data_18053 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18053 _Entry.PDB_ID 2LLL 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 18053 _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 20 20 ALA N N 450 125.180 125.180 125.528 -0.348 18053 2 1 1 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.496 0.210 18053 3 1 1 . 1 1 20 20 ALA C C 450 177.226 177.226 176.971 0.255 18053 4 1 1 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.849 0.908 18053 5 1 1 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.302 2.109 18053 6 1 1 . 1 1 20 20 ALA H H 450 8.484 8.484 8.814 -0.330 18053 7 1 1 . 1 1 21 21 SER N N 451 115.714 115.714 119.888 -4.174 18053 8 1 1 . 1 1 21 21 SER HA H 451 4.513 4.513 4.346 0.167 18053 9 1 1 . 1 1 21 21 SER C C 451 174.742 174.742 174.999 -0.257 18053 10 1 1 . 1 1 21 21 SER CA C 451 58.516 58.516 58.824 -0.308 18053 11 1 1 . 1 1 21 21 SER CB C 451 64.159 64.159 62.029 2.130 18053 12 1 1 . 1 1 21 21 SER H H 451 8.487 8.487 8.116 0.371 18053 13 1 1 . 1 1 22 22 GLY N N 452 111.509 111.509 115.765 -4.256 18053 14 1 1 . 1 1 22 22 GLY C C 452 174.401 174.401 174.978 -0.577 18053 15 1 1 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.398 -0.339 18053 16 1 1 . 1 1 22 22 GLY H H 452 8.198 8.198 8.410 -0.212 18053 17 1 1 . 1 1 23 23 SER N N 453 116.191 116.191 115.166 1.025 18053 18 1 1 . 1 1 23 23 SER HA H 453 4.364 4.364 4.293 0.071 18053 19 1 1 . 1 1 23 23 SER C C 453 173.432 173.432 174.709 -1.277 18053 20 1 1 . 1 1 23 23 SER CA C 453 59.744 59.744 60.382 -0.638 18053 21 1 1 . 1 1 23 23 SER CB C 453 64.335 64.335 63.986 0.349 18053 22 1 1 . 1 1 23 23 SER H H 453 8.494 8.494 8.003 0.491 18053 23 1 1 . 1 1 24 24 VAL N N 454 121.656 121.656 120.379 1.277 18053 24 1 1 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.450 0.585 18053 25 1 1 . 1 1 24 24 VAL C C 454 174.606 174.606 175.623 -1.017 18053 26 1 1 . 1 1 24 24 VAL CA C 454 61.055 61.055 62.786 -1.731 18053 27 1 1 . 1 1 24 24 VAL CB C 454 32.503 32.503 32.896 -0.393 18053 28 1 1 . 1 1 24 24 VAL H H 454 7.830 7.830 7.821 0.009 18053 29 1 1 . 1 1 25 25 SER N N 455 119.323 119.323 119.864 -0.541 18053 30 1 1 . 1 1 25 25 SER HA H 455 4.672 4.672 4.813 -0.141 18053 31 1 1 . 1 1 25 25 SER C C 455 174.426 174.426 173.389 1.037 18053 32 1 1 . 1 1 25 25 SER CA C 455 55.268 55.268 56.225 -0.957 18053 33 1 1 . 1 1 25 25 SER CB C 455 65.162 65.162 65.722 -0.560 18053 34 1 1 . 1 1 25 25 SER H H 455 9.065 9.065 8.862 0.203 18053 35 1 1 . 1 1 26 26 ILE N N 456 119.468 119.468 121.250 -1.782 18053 36 1 1 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.199 -0.019 18053 37 1 1 . 1 1 26 26 ILE C C 456 175.506 175.506 176.342 -0.836 18053 38 1 1 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.143 0.185 18053 39 1 1 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.204 1.758 18053 40 1 1 . 1 1 26 26 ILE H H 456 8.295 8.295 8.537 -0.242 18053 41 1 1 . 1 1 27 27 GLU N N 457 129.726 129.726 130.095 -0.369 18053 42 1 1 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.379 -0.151 18053 43 1 1 . 1 1 27 27 GLU C C 457 175.179 175.179 176.006 -0.827 18053 44 1 1 . 1 1 27 27 GLU CA C 457 55.432 55.432 56.878 -1.446 18053 45 1 1 . 1 1 27 27 GLU CB C 457 30.142 30.142 32.215 -2.074 18053 46 1 1 . 1 1 27 27 GLU H H 457 8.393 8.393 8.637 -0.244 18053 47 1 1 . 1 1 28 28 GLU N N 458 117.076 117.076 116.128 0.948 18053 48 1 1 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.705 -0.537 18053 49 1 1 . 1 1 28 28 GLU C C 458 174.701 174.701 174.644 0.057 18053 50 1 1 . 1 1 28 28 GLU CA C 458 56.906 56.906 54.806 2.100 18053 51 1 1 . 1 1 28 28 GLU CB C 458 31.848 31.848 33.632 -1.784 18053 52 1 1 . 1 1 28 28 GLU H H 458 7.489 7.489 7.826 -0.337 18053 53 1 1 . 1 1 29 29 ILE N N 459 122.183 122.183 119.564 2.619 18053 54 1 1 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.945 -0.181 18053 55 1 1 . 1 1 29 29 ILE C C 459 174.169 174.169 174.403 -0.234 18053 56 1 1 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.456 0.070 18053 57 1 1 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.669 -1.360 18053 58 1 1 . 1 1 29 29 ILE H H 459 8.126 8.126 8.256 -0.130 18053 59 1 1 . 1 1 30 30 ASP N N 460 123.205 123.205 124.114 -0.909 18053 60 1 1 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.270 -0.087 18053 61 1 1 . 1 1 30 30 ASP C C 460 178.318 178.318 177.592 0.726 18053 62 1 1 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.487 0.443 18053 63 1 1 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.237 0.570 18053 64 1 1 . 1 1 30 30 ASP H H 460 6.704 6.704 7.314 -0.610 18053 65 1 1 . 1 1 31 31 LEU N N 461 128.551 128.551 119.061 9.490 18053 66 1 1 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.144 -0.080 18053 67 1 1 . 1 1 31 31 LEU C C 461 177.513 177.513 177.240 0.273 18053 68 1 1 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.126 -0.002 18053 69 1 1 . 1 1 31 31 LEU CB C 461 41.237 41.237 42.087 -0.850 18053 70 1 1 . 1 1 31 31 LEU H H 461 9.012 9.012 8.116 0.896 18053 71 1 1 . 1 1 32 32 GLU N N 462 115.101 115.101 116.027 -0.926 18053 72 1 1 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.885 -0.602 18053 73 1 1 . 1 1 32 32 GLU C C 462 177.062 177.062 176.571 0.491 18053 74 1 1 . 1 1 32 32 GLU CA C 462 55.759 55.759 55.537 0.222 18053 75 1 1 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.884 -1.315 18053 76 1 1 . 1 1 32 32 GLU H H 462 7.588 7.588 7.947 -0.359 18053 77 1 1 . 1 1 33 33 GLY N N 463 106.299 106.299 107.033 -0.734 18053 78 1 1 . 1 1 33 33 GLY C C 463 174.824 174.824 174.887 -0.063 18053 79 1 1 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.202 1.604 18053 80 1 1 . 1 1 33 33 GLY H H 463 7.372 7.372 7.780 -0.408 18053 81 1 1 . 1 1 34 34 LYS N N 464 118.744 118.744 117.798 0.946 18053 82 1 1 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.280 0.282 18053 83 1 1 . 1 1 34 34 LYS C C 464 177.076 177.076 175.519 1.557 18053 84 1 1 . 1 1 34 34 LYS CA C 464 59.963 59.963 56.573 3.390 18053 85 1 1 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.170 -0.059 18053 86 1 1 . 1 1 34 34 LYS H H 464 9.547 9.547 8.004 1.543 18053 87 1 1 . 1 1 35 35 PHE N N 465 109.125 109.125 112.015 -2.890 18053 88 1 1 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.082 0.432 18053 89 1 1 . 1 1 35 35 PHE C C 465 174.183 174.183 173.341 0.842 18053 90 1 1 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.149 1.483 18053 91 1 1 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.741 -0.142 18053 92 1 1 . 1 1 35 35 PHE H H 465 6.740 6.740 6.955 -0.215 18053 93 1 1 . 1 1 36 36 VAL N N 466 119.579 119.579 119.199 0.380 18053 94 1 1 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.056 -0.347 18053 95 1 1 . 1 1 36 36 VAL C C 466 172.668 172.668 174.197 -1.529 18053 96 1 1 . 1 1 36 36 VAL CA C 466 62.692 62.692 60.997 1.695 18053 97 1 1 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.320 1.895 18053 98 1 1 . 1 1 36 36 VAL H H 466 7.628 7.628 8.633 -1.005 18053 99 1 1 . 1 1 37 37 GLN N N 467 126.831 126.831 124.556 2.275 18053 100 1 1 . 1 1 37 37 GLN HA H 467 5.449 5.449 5.087 0.362 18053 101 1 1 . 1 1 37 37 GLN C C 467 174.797 174.797 174.295 0.502 18053 102 1 1 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.429 -0.308 18053 103 1 1 . 1 1 37 37 GLN CB C 467 34.623 34.623 31.310 3.313 18053 104 1 1 . 1 1 37 37 GLN H H 467 8.392 8.392 8.599 -0.207 18053 105 1 1 . 1 1 38 38 LEU N N 468 123.018 123.018 127.142 -4.124 18053 106 1 1 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.275 0.147 18053 107 1 1 . 1 1 38 38 LEU C C 468 175.588 175.588 175.796 -0.208 18053 108 1 1 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.618 -0.916 18053 109 1 1 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.270 -0.224 18053 110 1 1 . 1 1 38 38 LEU H H 468 9.103 9.103 8.963 0.140 18053 111 1 1 . 1 1 39 39 LYS N N 469 118.983 118.983 120.138 -1.155 18053 112 1 1 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.839 0.013 18053 113 1 1 . 1 1 39 39 LYS C C 469 173.309 173.309 174.494 -1.185 18053 114 1 1 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.845 0.149 18053 115 1 1 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.136 2.110 18053 116 1 1 . 1 1 39 39 LYS H H 469 8.496 8.496 8.634 -0.138 18053 117 1 1 . 1 1 40 40 ASN N N 470 121.758 121.758 124.883 -3.125 18053 118 1 1 . 1 1 40 40 ASN HA H 470 4.788 4.788 5.094 -0.306 18053 119 1 1 . 1 1 40 40 ASN C C 470 174.496 174.496 175.077 -0.581 18053 120 1 1 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.193 -1.074 18053 121 1 1 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.348 -1.789 18053 122 1 1 . 1 1 40 40 ASN H H 470 8.283 8.283 8.805 -0.522 18053 123 1 1 . 1 1 41 41 ASN N N 471 122.422 122.422 124.326 -1.904 18053 124 1 1 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.687 -0.099 18053 125 1 1 . 1 1 41 41 ASN C C 471 174.810 174.810 175.255 -0.445 18053 126 1 1 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.918 0.067 18053 127 1 1 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.155 0.445 18053 128 1 1 . 1 1 41 41 ASN H H 471 8.681 8.681 8.575 0.106 18053 129 1 1 . 1 1 42 42 SER N N 472 116.446 116.446 116.167 0.279 18053 130 1 1 . 1 1 42 42 SER HA H 472 4.719 4.719 4.506 0.213 18053 131 1 1 . 1 1 42 42 SER C C 472 172.804 172.804 174.605 -1.801 18053 132 1 1 . 1 1 42 42 SER CA C 472 57.288 57.288 57.991 -0.703 18053 133 1 1 . 1 1 42 42 SER CB C 472 66.241 66.241 64.580 1.661 18053 134 1 1 . 1 1 42 42 SER H H 472 8.370 8.370 7.736 0.634 18053 135 1 1 . 1 1 43 43 ASP N N 473 117.706 117.706 122.201 -4.495 18053 136 1 1 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.705 -0.231 18053 137 1 1 . 1 1 43 43 ASP C C 473 175.343 175.343 175.610 -0.267 18053 138 1 1 . 1 1 43 43 ASP CA C 473 53.521 53.521 54.653 -1.132 18053 139 1 1 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.843 -0.521 18053 140 1 1 . 1 1 43 43 ASP H H 473 8.254 8.254 8.564 -0.310 18053 141 1 1 . 1 1 44 44 LYS N N 474 120.209 120.209 119.494 0.715 18053 142 1 1 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.569 0.000 18053 143 1 1 . 1 1 44 44 LYS C C 474 175.397 175.397 174.593 0.804 18053 144 1 1 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.200 -0.188 18053 145 1 1 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.539 0.844 18053 146 1 1 . 1 1 44 44 LYS H H 474 8.305 8.305 7.383 0.922 18053 147 1 1 . 1 1 45 45 ASP N N 475 124.993 124.993 121.035 3.958 18053 148 1 1 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.464 -0.489 18053 149 1 1 . 1 1 45 45 ASP C C 475 174.810 174.810 176.173 -1.363 18053 150 1 1 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.278 -0.283 18053 151 1 1 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.746 -0.382 18053 152 1 1 . 1 1 45 45 ASP H H 475 8.722 8.722 8.472 0.250 18053 153 1 1 . 1 1 46 46 GLN N N 476 120.549 120.549 126.186 -5.637 18053 154 1 1 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.300 0.136 18053 155 1 1 . 1 1 46 46 GLN C C 476 174.019 174.019 175.066 -1.047 18053 156 1 1 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.817 -1.679 18053 157 1 1 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.075 2.392 18053 158 1 1 . 1 1 46 46 GLN H H 476 7.878 7.878 8.312 -0.434 18053 159 1 1 . 1 1 47 47 SER N N 477 121.537 121.537 121.355 0.182 18053 160 1 1 . 1 1 47 47 SER HA H 477 4.229 4.229 4.231 -0.002 18053 161 1 1 . 1 1 47 47 SER C C 477 174.565 174.565 173.593 0.972 18053 162 1 1 . 1 1 47 47 SER CA C 477 58.706 58.706 58.978 -0.272 18053 163 1 1 . 1 1 47 47 SER CB C 477 62.965 62.965 63.129 -0.164 18053 164 1 1 . 1 1 47 47 SER H H 477 8.748 8.748 8.613 0.135 18053 165 1 1 . 1 1 48 48 LEU N N 478 127.751 127.751 125.800 1.951 18053 166 1 1 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.396 -1.765 18053 167 1 1 . 1 1 48 48 LEU C C 478 176.789 176.789 176.882 -0.093 18053 168 1 1 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.475 -1.373 18053 169 1 1 . 1 1 48 48 LEU CB C 478 42.343 42.343 44.466 -2.123 18053 170 1 1 . 1 1 48 48 LEU H H 478 7.856 7.856 7.659 0.197 18053 171 1 1 . 1 1 49 49 GLY N N 479 107.525 107.525 110.500 -2.975 18053 172 1 1 . 1 1 49 49 GLY C C 479 176.653 176.653 175.313 1.340 18053 173 1 1 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.877 2.185 18053 174 1 1 . 1 1 49 49 GLY H H 479 7.728 7.728 8.524 -0.796 18053 175 1 1 . 1 1 50 50 ASN N N 480 117.059 117.059 119.729 -2.670 18053 176 1 1 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.584 -0.329 18053 177 1 1 . 1 1 50 50 ASN C C 480 174.961 174.961 175.356 -0.395 18053 178 1 1 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.914 1.446 18053 179 1 1 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.728 -1.312 18053 180 1 1 . 1 1 50 50 ASN H H 480 7.552 7.552 8.709 -1.157 18053 181 1 1 . 1 1 51 51 TRP N N 481 122.166 122.166 118.458 3.708 18053 182 1 1 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.752 -0.275 18053 183 1 1 . 1 1 51 51 TRP C C 481 175.575 175.575 175.927 -0.352 18053 184 1 1 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.823 -0.061 18053 185 1 1 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.946 -1.905 18053 186 1 1 . 1 1 51 51 TRP H H 481 8.914 8.914 7.885 1.029 18053 187 1 1 . 1 1 52 52 ARG N N 482 116.480 116.480 117.135 -0.655 18053 188 1 1 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.411 0.557 18053 189 1 1 . 1 1 52 52 ARG C C 482 175.807 175.807 174.822 0.985 18053 190 1 1 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.916 -0.795 18053 191 1 1 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.191 0.933 18053 192 1 1 . 1 1 52 52 ARG H H 482 9.147 9.147 8.908 0.239 18053 193 1 1 . 1 1 53 53 ILE N N 483 119.579 119.579 124.523 -4.944 18053 194 1 1 . 1 1 53 53 ILE HA H 483 4.985 4.985 5.027 -0.042 18053 195 1 1 . 1 1 53 53 ILE C C 483 175.670 175.670 175.906 -0.236 18053 196 1 1 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.524 -0.124 18053 197 1 1 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.841 1.386 18053 198 1 1 . 1 1 53 53 ILE H H 483 9.000 9.000 8.651 0.349 18053 199 1 1 . 1 1 54 54 LYS N N 484 124.737 124.737 128.935 -4.198 18053 200 1 1 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.920 0.543 18053 201 1 1 . 1 1 54 54 LYS C C 484 175.575 175.575 175.889 -0.314 18053 202 1 1 . 1 1 54 54 LYS CA C 484 54.613 54.613 55.829 -1.216 18053 203 1 1 . 1 1 54 54 LYS CB C 484 35.041 35.041 32.257 2.784 18053 204 1 1 . 1 1 54 54 LYS H H 484 9.678 9.678 8.666 1.012 18053 205 1 1 . 1 1 55 55 ARG N N 485 124.090 124.090 128.399 -4.309 18053 206 1 1 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.829 0.696 18053 207 1 1 . 1 1 55 55 ARG C C 485 174.155 174.155 175.156 -1.001 18053 208 1 1 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.082 -1.179 18053 209 1 1 . 1 1 55 55 ARG H H 485 9.314 9.314 8.879 0.435 18053 210 1 1 . 1 1 56 56 GLN N N 486 126.576 126.576 126.420 0.156 18053 211 1 1 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.734 0.108 18053 212 1 1 . 1 1 56 56 GLN C C 486 174.991 174.991 174.371 0.620 18053 213 1 1 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.188 0.644 18053 214 1 1 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.970 1.495 18053 215 1 1 . 1 1 56 56 GLN H H 486 8.831 8.831 8.780 0.051 18053 216 1 1 . 1 1 57 57 VAL N N 487 126.712 126.712 125.231 1.481 18053 217 1 1 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.365 -0.099 18053 218 1 1 . 1 1 57 57 VAL C C 487 175.916 175.916 177.341 -1.425 18053 219 1 1 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.581 0.239 18053 220 1 1 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.956 -0.152 18053 221 1 1 . 1 1 57 57 VAL H H 487 8.786 8.786 8.548 0.238 18053 222 1 1 . 1 1 58 58 LEU N N 488 127.274 127.274 125.523 1.751 18053 223 1 1 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.267 -0.182 18053 224 1 1 . 1 1 58 58 LEU C C 488 177.158 177.158 178.502 -1.344 18053 225 1 1 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.580 -0.673 18053 226 1 1 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.574 -0.200 18053 227 1 1 . 1 1 58 58 LEU H H 488 8.316 8.316 8.499 -0.183 18053 228 1 1 . 1 1 59 59 GLU N N 489 119.647 119.647 118.438 1.209 18053 229 1 1 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.175 -0.063 18053 230 1 1 . 1 1 59 59 GLU C C 489 176.230 176.230 177.308 -1.078 18053 231 1 1 . 1 1 59 59 GLU CA C 489 57.015 57.015 57.233 -0.218 18053 232 1 1 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.621 -1.472 18053 233 1 1 . 1 1 59 59 GLU H H 489 8.636 8.636 8.323 0.313 18053 234 1 1 . 1 1 60 60 GLY N N 490 108.819 108.819 107.373 1.446 18053 235 1 1 . 1 1 60 60 GLY C C 490 173.568 173.568 173.423 0.145 18053 236 1 1 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.944 -0.171 18053 237 1 1 . 1 1 60 60 GLY H H 490 8.160 8.160 7.870 0.290 18053 238 1 1 . 1 1 61 61 GLU N N 491 121.009 121.009 122.413 -1.404 18053 239 1 1 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.404 -0.081 18053 240 1 1 . 1 1 61 61 GLU C C 491 175.725 175.725 175.153 0.572 18053 241 1 1 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.313 0.883 18053 242 1 1 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.431 1.434 18053 243 1 1 . 1 1 61 61 GLU H H 491 8.320 8.320 8.332 -0.012 18053 244 1 1 . 1 1 62 62 GLU N N 492 123.426 123.426 123.622 -0.196 18053 245 1 1 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.275 -0.221 18053 246 1 1 . 1 1 62 62 GLU C C 492 175.930 175.930 175.720 0.210 18053 247 1 1 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.834 0.816 18053 248 1 1 . 1 1 62 62 GLU CB C 492 32.312 32.312 32.007 0.305 18053 249 1 1 . 1 1 62 62 GLU H H 492 8.594 8.594 8.515 0.078 18053 250 1 1 . 1 1 63 63 ILE N N 493 119.732 119.732 118.478 1.254 18053 251 1 1 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.787 0.001 18053 252 1 1 . 1 1 63 63 ILE C C 493 174.647 174.647 174.088 0.559 18053 253 1 1 . 1 1 63 63 ILE CA C 493 60.181 60.181 60.104 0.077 18053 254 1 1 . 1 1 63 63 ILE CB C 493 41.183 41.183 42.253 -1.070 18053 255 1 1 . 1 1 63 63 ILE H H 493 8.523 8.523 8.365 0.158 18053 256 1 1 . 1 1 64 64 ALA N N 494 122.166 122.166 125.498 -3.332 18053 257 1 1 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.913 0.608 18053 258 1 1 . 1 1 64 64 ALA C C 494 174.606 174.606 176.177 -1.571 18053 259 1 1 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.489 1.038 18053 260 1 1 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.638 1.601 18053 261 1 1 . 1 1 64 64 ALA H H 494 8.741 8.741 8.382 0.359 18053 262 1 1 . 1 1 65 65 TYR N N 495 126.729 126.729 126.825 -0.096 18053 263 1 1 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.385 -0.291 18053 264 1 1 . 1 1 65 65 TYR C C 495 173.036 173.036 173.974 -0.938 18053 265 1 1 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.134 0.771 18053 266 1 1 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.205 2.064 18053 267 1 1 . 1 1 65 65 TYR H H 495 8.462 8.462 8.498 -0.036 18053 268 1 1 . 1 1 66 66 LYS N N 496 128.108 128.108 127.313 0.795 18053 269 1 1 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.331 0.491 18053 270 1 1 . 1 1 66 66 LYS C C 496 174.906 174.906 174.927 -0.021 18053 271 1 1 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.142 -1.403 18053 272 1 1 . 1 1 66 66 LYS CB C 496 34.782 34.782 32.723 2.059 18053 273 1 1 . 1 1 66 66 LYS H H 496 7.010 7.010 7.236 -0.226 18053 274 1 1 . 1 1 67 67 PHE N N 497 125.299 125.299 123.371 1.928 18053 275 1 1 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.018 -0.086 18053 276 1 1 . 1 1 67 67 PHE C C 497 177.990 177.990 175.954 2.036 18053 277 1 1 . 1 1 67 67 PHE CA C 497 59.007 59.007 58.199 0.808 18053 278 1 1 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.103 0.878 18053 279 1 1 . 1 1 67 67 PHE H H 497 8.509 8.509 8.128 0.381 18053 280 1 1 . 1 1 68 68 THR N N 498 116.191 116.191 112.432 3.759 18053 281 1 1 . 1 1 68 68 THR HA H 498 4.417 4.417 4.706 -0.289 18053 282 1 1 . 1 1 68 68 THR CA C 498 60.855 60.855 59.085 1.770 18053 283 1 1 . 1 1 68 68 THR CB C 498 68.019 68.019 69.335 -1.316 18053 284 1 1 . 1 1 68 68 THR H H 498 8.688 8.688 8.494 0.194 18053 285 1 1 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.718 -0.770 18053 286 1 1 . 1 1 69 69 PRO C C 499 177.444 177.444 177.243 0.201 18053 287 1 1 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.253 1.824 18053 288 1 1 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.772 1.004 18053 289 1 1 . 1 1 70 70 LYS N N 500 113.552 113.552 116.128 -2.576 18053 290 1 1 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.158 0.227 18053 291 1 1 . 1 1 70 70 LYS C C 500 176.325 176.325 176.197 0.128 18053 292 1 1 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.846 -1.851 18053 293 1 1 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.269 -0.476 18053 294 1 1 . 1 1 70 70 LYS H H 500 8.016 8.016 8.182 -0.166 18053 295 1 1 . 1 1 71 71 TYR N N 501 121.860 121.860 121.124 0.736 18053 296 1 1 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.498 -0.768 18053 297 1 1 . 1 1 71 71 TYR C C 501 174.838 174.838 173.820 1.018 18053 298 1 1 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.643 3.667 18053 299 1 1 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.950 -1.169 18053 300 1 1 . 1 1 71 71 TYR H H 501 7.460 7.460 7.776 -0.316 18053 301 1 1 . 1 1 72 72 ILE N N 502 129.487 129.487 126.408 3.079 18053 302 1 1 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.397 -0.469 18053 303 1 1 . 1 1 72 72 ILE C C 502 172.968 172.968 173.972 -1.004 18053 304 1 1 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.453 -0.145 18053 305 1 1 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.840 0.070 18053 306 1 1 . 1 1 72 72 ILE H H 502 7.168 7.168 7.781 -0.613 18053 307 1 1 . 1 1 73 73 LEU N N 503 128.278 128.278 127.906 0.372 18053 308 1 1 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.568 -0.075 18053 309 1 1 . 1 1 73 73 LEU C C 503 175.834 175.834 175.269 0.565 18053 310 1 1 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.846 -0.881 18053 311 1 1 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.826 -2.278 18053 312 1 1 . 1 1 73 73 LEU H H 503 8.483 8.483 8.444 0.039 18053 313 1 1 . 1 1 74 74 ARG N N 504 129.589 129.589 122.379 7.210 18053 314 1 1 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.670 -0.927 18053 315 1 1 . 1 1 74 74 ARG C C 504 175.233 175.233 176.197 -0.964 18053 316 1 1 . 1 1 74 74 ARG CA C 504 56.851 56.851 54.442 2.409 18053 317 1 1 . 1 1 74 74 ARG CB C 504 30.292 30.292 31.142 -0.850 18053 318 1 1 . 1 1 74 74 ARG H H 504 8.673 8.673 8.292 0.381 18053 319 1 1 . 1 1 75 75 ALA N N 505 123.205 123.205 124.276 -1.071 18053 320 1 1 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.118 -0.596 18053 321 1 1 . 1 1 75 75 ALA C C 505 178.441 178.441 178.194 0.247 18053 322 1 1 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.046 0.748 18053 323 1 1 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.322 0.588 18053 324 1 1 . 1 1 75 75 ALA H H 505 8.564 8.564 8.473 0.091 18053 325 1 1 . 1 1 76 76 GLY N N 506 112.241 112.241 112.692 -0.451 18053 326 1 1 . 1 1 76 76 GLY C C 506 174.278 174.278 174.106 0.172 18053 327 1 1 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.210 1.515 18053 328 1 1 . 1 1 76 76 GLY H H 506 7.381 7.381 8.543 -1.162 18053 329 1 1 . 1 1 77 77 GLN N N 507 117.382 117.382 118.660 -1.278 18053 330 1 1 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.728 -0.364 18053 331 1 1 . 1 1 77 77 GLN C C 507 173.937 173.937 174.507 -0.570 18053 332 1 1 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.056 0.502 18053 333 1 1 . 1 1 77 77 GLN CB C 507 30.073 30.073 31.322 -1.249 18053 334 1 1 . 1 1 77 77 GLN H H 507 7.996 7.996 7.652 0.344 18053 335 1 1 . 1 1 78 78 MET N N 508 116.957 116.957 115.717 1.240 18053 336 1 1 . 1 1 78 78 MET HA H 508 5.388 5.388 4.901 0.487 18053 337 1 1 . 1 1 78 78 MET C C 508 175.807 175.807 173.947 1.860 18053 338 1 1 . 1 1 78 78 MET CA C 508 54.067 54.067 54.654 -0.586 18053 339 1 1 . 1 1 78 78 MET CB C 508 37.198 37.198 36.234 0.964 18053 340 1 1 . 1 1 78 78 MET H H 508 8.092 8.092 8.276 -0.184 18053 341 1 1 . 1 1 79 79 VAL N N 509 119.340 119.340 121.322 -1.982 18053 342 1 1 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.923 0.033 18053 343 1 1 . 1 1 79 79 VAL C C 509 172.217 172.217 174.307 -2.090 18053 344 1 1 . 1 1 79 79 VAL CA C 509 59.471 59.471 59.943 -0.472 18053 345 1 1 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.608 -1.932 18053 346 1 1 . 1 1 79 79 VAL H H 509 8.534 8.534 8.347 0.187 18053 347 1 1 . 1 1 80 80 THR N N 510 124.533 124.533 125.762 -1.229 18053 348 1 1 . 1 1 80 80 THR HA H 510 4.586 4.586 4.964 -0.378 18053 349 1 1 . 1 1 80 80 THR C C 510 172.215 172.215 173.600 -1.385 18053 350 1 1 . 1 1 80 80 THR CA C 510 62.119 62.119 61.565 0.554 18053 351 1 1 . 1 1 80 80 THR CB C 510 69.407 69.407 69.698 -0.292 18053 352 1 1 . 1 1 80 80 THR H H 510 8.301 8.301 8.699 -0.398 18053 353 1 1 . 1 1 81 81 VAL N N 511 127.002 127.002 127.721 -0.719 18053 354 1 1 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.721 -0.125 18053 355 1 1 . 1 1 81 81 VAL C C 511 176.667 176.667 175.459 1.208 18053 356 1 1 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.128 -0.746 18053 357 1 1 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.562 -0.617 18053 358 1 1 . 1 1 81 81 VAL H H 511 8.796 8.796 8.737 0.059 18053 359 1 1 . 1 1 82 82 TRP N N 512 131.479 131.479 129.381 2.098 18053 360 1 1 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.326 0.012 18053 361 1 1 . 1 1 82 82 TRP C C 512 176.885 176.885 175.513 1.372 18053 362 1 1 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.085 -0.643 18053 363 1 1 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.433 -0.732 18053 364 1 1 . 1 1 82 82 TRP H H 512 9.924 9.924 9.150 0.774 18053 365 1 1 . 1 1 83 83 ALA N N 513 123.954 123.954 120.949 3.005 18053 366 1 1 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.759 -0.451 18053 367 1 1 . 1 1 83 83 ALA C C 513 178.140 178.140 178.498 -0.358 18053 368 1 1 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.739 1.472 18053 369 1 1 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.354 -1.609 18053 370 1 1 . 1 1 83 83 ALA H H 513 9.048 9.048 8.549 0.499 18053 371 1 1 . 1 1 84 84 ALA N N 514 125.146 125.146 125.734 -0.588 18053 372 1 1 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.128 -0.177 18053 373 1 1 . 1 1 84 84 ALA C C 514 179.519 179.519 178.942 0.577 18053 374 1 1 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.800 0.004 18053 375 1 1 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.101 -0.519 18053 376 1 1 . 1 1 84 84 ALA H H 514 8.341 8.341 8.350 -0.009 18053 377 1 1 . 1 1 85 85 GLY N N 515 103.388 103.388 104.428 -1.040 18053 378 1 1 . 1 1 85 85 GLY C C 515 174.674 174.674 174.784 -0.110 18053 379 1 1 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.011 0.867 18053 380 1 1 . 1 1 85 85 GLY H H 515 7.996 7.996 7.953 0.043 18053 381 1 1 . 1 1 86 86 ALA N N 516 120.140 120.140 123.633 -3.493 18053 382 1 1 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.519 -0.175 18053 383 1 1 . 1 1 86 86 ALA C C 516 177.690 177.690 178.078 -0.388 18053 384 1 1 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.872 1.267 18053 385 1 1 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.159 1.388 18053 386 1 1 . 1 1 86 86 ALA H H 516 7.474 7.474 7.202 0.272 18053 387 1 1 . 1 1 87 87 GLY N N 517 105.720 105.720 108.258 -2.538 18053 388 1 1 . 1 1 87 87 GLY C C 517 173.650 173.650 174.780 -1.130 18053 389 1 1 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.556 0.458 18053 390 1 1 . 1 1 87 87 GLY H H 517 7.779 7.779 7.714 0.065 18053 391 1 1 . 1 1 88 88 VAL N N 518 121.537 121.537 120.161 1.376 18053 392 1 1 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.049 -0.464 18053 393 1 1 . 1 1 88 88 VAL C C 518 174.851 174.851 175.330 -0.479 18053 394 1 1 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.368 -0.094 18053 395 1 1 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.695 0.681 18053 396 1 1 . 1 1 88 88 VAL H H 518 7.499 7.499 7.794 -0.295 18053 397 1 1 . 1 1 89 89 ALA N N 519 128.295 128.295 130.032 -1.737 18053 398 1 1 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.356 -0.164 18053 399 1 1 . 1 1 89 89 ALA C C 519 176.680 176.680 176.534 0.146 18053 400 1 1 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.361 -0.078 18053 401 1 1 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.073 0.219 18053 402 1 1 . 1 1 89 89 ALA H H 519 7.960 7.960 8.065 -0.105 18053 403 1 1 . 1 1 90 90 HIS N N 520 122.643 122.643 124.332 -1.689 18053 404 1 1 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.371 -0.338 18053 405 1 1 . 1 1 90 90 HIS C C 520 175.793 175.793 174.574 1.219 18053 406 1 1 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.060 2.593 18053 407 1 1 . 1 1 90 90 HIS CB C 520 32.285 32.285 30.018 2.267 18053 408 1 1 . 1 1 90 90 HIS H H 520 8.394 8.394 8.901 -0.507 18053 409 1 1 . 1 1 91 91 SER N N 521 121.247 121.247 124.267 -3.020 18053 410 1 1 . 1 1 91 91 SER HA H 521 4.629 4.629 4.880 -0.251 18053 411 1 1 . 1 1 91 91 SER CA C 521 55.843 55.843 55.787 0.056 18053 412 1 1 . 1 1 91 91 SER CB C 521 62.367 62.367 63.241 -0.874 18053 413 1 1 . 1 1 91 91 SER H H 521 8.569 8.569 8.399 0.170 18053 414 1 1 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.917 -0.915 18053 415 1 1 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.174 0.070 18053 416 1 1 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.525 -0.594 18053 417 1 1 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.899 -0.228 18053 418 1 1 . 1 1 93 93 PRO C C 523 177.786 177.786 177.534 0.252 18053 419 1 1 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.336 0.667 18053 420 1 1 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.872 2.033 18053 421 1 1 . 1 1 94 94 SER N N 524 117.212 117.212 117.522 -0.310 18053 422 1 1 . 1 1 94 94 SER HA H 524 4.678 4.678 4.508 0.170 18053 423 1 1 . 1 1 94 94 SER C C 524 174.851 174.851 174.287 0.564 18053 424 1 1 . 1 1 94 94 SER CA C 524 61.874 61.874 61.160 0.715 18053 425 1 1 . 1 1 94 94 SER CB C 524 64.057 64.057 64.015 0.042 18053 426 1 1 . 1 1 94 94 SER H H 524 8.463 8.463 7.998 0.465 18053 427 1 1 . 1 1 95 95 THR N N 525 121.588 121.588 118.989 2.599 18053 428 1 1 . 1 1 95 95 THR HA H 525 4.859 4.859 5.089 -0.230 18053 429 1 1 . 1 1 95 95 THR C C 525 172.094 172.094 173.163 -1.069 18053 430 1 1 . 1 1 95 95 THR CA C 525 62.309 62.309 62.296 0.013 18053 431 1 1 . 1 1 95 95 THR CB C 525 70.281 70.281 69.402 0.879 18053 432 1 1 . 1 1 95 95 THR H H 525 7.631 7.631 8.021 -0.390 18053 433 1 1 . 1 1 96 96 LEU N N 526 127.274 127.274 128.535 -1.261 18053 434 1 1 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.591 0.540 18053 435 1 1 . 1 1 96 96 LEU C C 526 175.916 175.916 175.811 0.105 18053 436 1 1 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.472 -2.397 18053 437 1 1 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.666 0.124 18053 438 1 1 . 1 1 96 96 LEU H H 526 8.977 8.977 8.141 0.836 18053 439 1 1 . 1 1 97 97 VAL N N 527 124.056 124.056 120.271 3.785 18053 440 1 1 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.390 0.479 18053 441 1 1 . 1 1 97 97 VAL C C 527 176.230 176.230 175.154 1.076 18053 442 1 1 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.272 0.248 18053 443 1 1 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.785 -0.081 18053 444 1 1 . 1 1 97 97 VAL H H 527 10.724 10.724 7.181 3.543 18053 445 1 1 . 1 1 98 98 TRP N N 528 132.586 132.586 131.417 1.169 18053 446 1 1 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.332 0.633 18053 447 1 1 . 1 1 98 98 TRP C C 528 173.391 173.391 174.483 -1.092 18053 448 1 1 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.335 -2.032 18053 449 1 1 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.308 -0.063 18053 450 1 1 . 1 1 98 98 TRP H H 528 9.400 9.400 8.888 0.512 18053 451 1 1 . 1 1 99 99 LYS N N 529 126.644 126.644 128.878 -2.234 18053 452 1 1 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.214 -0.375 18053 453 1 1 . 1 1 99 99 LYS C C 529 177.581 177.581 177.186 0.395 18053 454 1 1 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.171 1.372 18053 455 1 1 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.513 -0.337 18053 456 1 1 . 1 1 99 99 LYS H H 529 8.153 8.153 8.058 0.095 18053 457 1 1 . 1 1 100 100 GLY N N 530 110.385 110.385 113.529 -3.144 18053 458 1 1 . 1 1 100 100 GLY C C 530 172.367 172.367 173.381 -1.014 18053 459 1 1 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.635 0.643 18053 460 1 1 . 1 1 100 100 GLY H H 530 8.363 8.363 8.622 -0.259 18053 461 1 1 . 1 1 101 101 GLN N N 531 121.162 121.162 119.895 1.267 18053 462 1 1 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.279 -0.307 18053 463 1 1 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.963 -1.343 18053 464 1 1 . 1 1 101 101 GLN CB C 531 27.595 27.595 29.467 -1.872 18053 465 1 1 . 1 1 101 101 GLN H H 531 6.815 6.815 7.201 -0.386 18053 466 1 1 . 1 1 102 102 SER N N 532 122.728 122.728 122.989 -0.261 18053 467 1 1 . 1 1 102 102 SER HA H 532 3.866 3.866 4.446 -0.580 18053 468 1 1 . 1 1 102 102 SER C C 532 174.537 174.537 175.739 -1.202 18053 469 1 1 . 1 1 102 102 SER CA C 532 61.983 61.983 61.009 0.974 18053 470 1 1 . 1 1 102 102 SER CB C 532 62.802 62.802 63.167 -0.365 18053 471 1 1 . 1 1 102 102 SER H H 532 8.662 8.662 8.698 -0.036 18053 472 1 1 . 1 1 103 103 SER N N 533 110.811 110.811 114.958 -4.147 18053 473 1 1 . 1 1 103 103 SER HA H 533 4.240 4.240 4.317 -0.077 18053 474 1 1 . 1 1 103 103 SER C C 533 174.087 174.087 174.838 -0.751 18053 475 1 1 . 1 1 103 103 SER CA C 533 56.633 56.633 59.097 -2.464 18053 476 1 1 . 1 1 103 103 SER CB C 533 64.658 64.658 63.224 1.434 18053 477 1 1 . 1 1 103 103 SER H H 533 7.134 7.134 8.089 -0.955 18053 478 1 1 . 1 1 104 104 TRP N N 534 126.133 126.133 121.674 4.459 18053 479 1 1 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.105 -0.007 18053 480 1 1 . 1 1 104 104 TRP C C 534 176.066 176.066 175.516 0.550 18053 481 1 1 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.175 2.952 18053 482 1 1 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.662 0.102 18053 483 1 1 . 1 1 104 104 TRP H H 534 9.764 9.764 7.965 1.799 18053 484 1 1 . 1 1 105 105 GLY N N 535 105.907 105.907 105.940 -0.033 18053 485 1 1 . 1 1 105 105 GLY C C 535 172.217 172.217 173.401 -1.184 18053 486 1 1 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.644 -0.404 18053 487 1 1 . 1 1 105 105 GLY H H 535 8.095 8.095 7.783 0.312 18053 488 1 1 . 1 1 106 106 THR N N 536 111.253 111.253 113.379 -2.126 18053 489 1 1 . 1 1 106 106 THR HA H 536 3.859 3.859 5.104 -1.245 18053 490 1 1 . 1 1 106 106 THR C C 536 172.872 172.872 174.195 -1.323 18053 491 1 1 . 1 1 106 106 THR CA C 536 59.635 59.635 60.874 -1.239 18053 492 1 1 . 1 1 106 106 THR CB C 536 70.526 70.526 69.620 0.906 18053 493 1 1 . 1 1 106 106 THR H H 536 7.913 7.913 7.803 0.110 18053 494 1 1 . 1 1 107 107 GLY N N 537 107.712 107.712 110.835 -3.123 18053 495 1 1 . 1 1 107 107 GLY C C 537 172.709 172.709 173.443 -0.734 18053 496 1 1 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.573 -0.407 18053 497 1 1 . 1 1 107 107 GLY H H 537 7.533 7.533 7.575 -0.042 18053 498 1 1 . 1 1 108 108 GLU N N 538 118.864 118.864 118.078 0.786 18053 499 1 1 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.394 -0.258 18053 500 1 1 . 1 1 108 108 GLU C C 538 176.353 176.353 176.139 0.214 18053 501 1 1 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.407 0.945 18053 502 1 1 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.730 -0.574 18053 503 1 1 . 1 1 108 108 GLU H H 538 8.558 8.558 8.728 -0.170 18053 504 1 1 . 1 1 109 109 SER N N 539 110.419 110.419 114.591 -4.172 18053 505 1 1 . 1 1 109 109 SER HA H 539 4.963 4.963 4.864 0.099 18053 506 1 1 . 1 1 109 109 SER C C 539 173.787 173.787 172.591 1.196 18053 507 1 1 . 1 1 109 109 SER CA C 539 57.125 57.125 58.149 -1.024 18053 508 1 1 . 1 1 109 109 SER CB C 539 64.439 64.439 66.223 -1.784 18053 509 1 1 . 1 1 109 109 SER H H 539 7.620 7.620 7.753 -0.133 18053 510 1 1 . 1 1 110 110 PHE N N 540 118.778 118.778 118.346 0.432 18053 511 1 1 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.117 -0.036 18053 512 1 1 . 1 1 110 110 PHE C C 540 176.052 176.052 173.109 2.943 18053 513 1 1 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.796 -0.007 18053 514 1 1 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.626 -0.866 18053 515 1 1 . 1 1 110 110 PHE H H 540 8.318 8.318 8.258 0.061 18053 516 1 1 . 1 1 112 112 THR HA H 542 5.468 5.468 4.668 0.800 18053 517 1 1 . 1 1 112 112 THR C C 542 172.381 172.381 173.832 -1.451 18053 518 1 1 . 1 1 112 112 THR CA C 542 61.818 61.818 63.019 -1.201 18053 519 1 1 . 1 1 112 112 THR CB C 542 70.990 70.990 68.655 2.335 18053 520 1 1 . 1 1 113 113 VAL N N 543 124.771 124.771 128.343 -3.572 18053 521 1 1 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.384 0.480 18053 522 1 1 . 1 1 113 113 VAL C C 543 173.132 173.132 174.106 -0.974 18053 523 1 1 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.278 -1.179 18053 524 1 1 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.564 2.869 18053 525 1 1 . 1 1 113 113 VAL H H 543 9.380 9.380 8.963 0.417 18053 526 1 1 . 1 1 114 114 LEU N N 544 128.789 128.789 129.308 -0.519 18053 527 1 1 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.889 0.431 18053 528 1 1 . 1 1 114 114 LEU C C 544 174.237 174.237 174.966 -0.729 18053 529 1 1 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.825 -0.632 18053 530 1 1 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.208 1.671 18053 531 1 1 . 1 1 114 114 LEU H H 544 8.948 8.948 8.530 0.418 18053 532 1 1 . 1 1 115 115 VAL N N 545 127.002 127.002 126.675 0.327 18053 533 1 1 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.735 0.119 18053 534 1 1 . 1 1 115 115 VAL C C 545 175.206 175.206 174.655 0.551 18053 535 1 1 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.280 -0.946 18053 536 1 1 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.690 -0.195 18053 537 1 1 . 1 1 115 115 VAL H H 545 9.564 9.564 8.726 0.838 18053 538 1 1 . 1 1 116 116 ASN N N 546 121.179 121.179 124.039 -2.860 18053 539 1 1 . 1 1 116 116 ASN HA H 546 2.897 2.897 2.871 0.026 18053 540 1 1 . 1 1 116 116 ASN C C 546 176.885 176.885 175.814 1.071 18053 541 1 1 . 1 1 116 116 ASN CA C 546 50.409 50.409 50.396 0.013 18053 542 1 1 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.056 -2.417 18053 543 1 1 . 1 1 116 116 ASN H H 546 8.016 8.016 8.280 -0.264 18053 544 1 1 . 1 1 117 117 ALA N N 547 119.834 119.834 121.170 -1.336 18053 545 1 1 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.004 -0.138 18053 546 1 1 . 1 1 117 117 ALA C C 547 177.772 177.772 178.253 -0.481 18053 547 1 1 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.649 -0.145 18053 548 1 1 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.468 -0.268 18053 549 1 1 . 1 1 117 117 ALA H H 547 6.444 6.444 8.199 -1.755 18053 550 1 1 . 1 1 118 118 ASP N N 548 115.646 115.646 116.990 -1.344 18053 551 1 1 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.387 0.257 18053 552 1 1 . 1 1 118 118 ASP C C 548 176.052 176.052 177.257 -1.205 18053 553 1 1 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.258 -1.191 18053 554 1 1 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.370 0.305 18053 555 1 1 . 1 1 118 118 ASP H H 548 7.181 7.181 8.087 -0.906 18053 556 1 1 . 1 1 119 119 GLY N N 549 107.167 107.167 106.693 0.474 18053 557 1 1 . 1 1 119 119 GLY C C 549 173.841 173.841 172.992 0.849 18053 558 1 1 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.869 0.586 18053 559 1 1 . 1 1 119 119 GLY H H 549 7.738 7.738 7.506 0.232 18053 560 1 1 . 1 1 120 120 GLU N N 550 121.196 121.196 118.786 2.410 18053 561 1 1 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.539 -0.427 18053 562 1 1 . 1 1 120 120 GLU C C 550 175.588 175.588 175.403 0.185 18053 563 1 1 . 1 1 120 120 GLU CA C 550 54.831 54.831 54.938 -0.106 18053 564 1 1 . 1 1 120 120 GLU CB C 550 29.937 29.937 31.338 -1.401 18053 565 1 1 . 1 1 120 120 GLU H H 550 7.587 7.587 7.979 -0.392 18053 566 1 1 . 1 1 121 121 GLU N N 551 123.886 123.886 126.759 -2.873 18053 567 1 1 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.318 -0.042 18053 568 1 1 . 1 1 121 121 GLU C C 551 176.817 176.817 176.497 0.320 18053 569 1 1 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.724 0.072 18053 570 1 1 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.093 0.862 18053 571 1 1 . 1 1 121 121 GLU H H 551 8.697 8.697 8.934 -0.237 18053 572 1 1 . 1 1 122 122 VAL N N 552 120.055 120.055 118.659 1.396 18053 573 1 1 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.168 0.196 18053 574 1 1 . 1 1 122 122 VAL C C 552 175.998 175.998 175.492 0.506 18053 575 1 1 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.125 -0.470 18053 576 1 1 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.128 0.921 18053 577 1 1 . 1 1 122 122 VAL H H 552 8.845 8.845 8.065 0.780 18053 578 1 1 . 1 1 123 123 ALA N N 553 122.098 122.098 120.547 1.551 18053 579 1 1 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.674 0.216 18053 580 1 1 . 1 1 123 123 ALA C C 553 175.261 175.261 174.902 0.359 18053 581 1 1 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.166 1.591 18053 582 1 1 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.267 -0.000 18053 583 1 1 . 1 1 123 123 ALA H H 553 7.788 7.788 7.803 -0.015 18053 584 1 1 . 1 1 124 124 MET N N 554 118.217 118.217 119.639 -1.422 18053 585 1 1 . 1 1 124 124 MET HA H 554 5.286 5.286 5.055 0.231 18053 586 1 1 . 1 1 124 124 MET C C 554 174.428 174.428 174.610 -0.182 18053 587 1 1 . 1 1 124 124 MET CA C 554 55.104 55.104 55.964 -0.860 18053 588 1 1 . 1 1 124 124 MET CB C 554 35.342 35.342 36.220 -0.878 18053 589 1 1 . 1 1 124 124 MET H H 554 8.693 8.693 8.365 0.328 18053 590 1 1 . 1 1 125 125 ARG N N 555 122.132 122.132 124.538 -2.406 18053 591 1 1 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.803 0.097 18053 592 1 1 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.239 1.149 18053 593 1 1 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.734 0.643 18053 594 1 1 . 1 1 125 125 ARG H H 555 8.919 8.919 8.767 0.152 18053 595 1 1 . 1 1 126 126 THR HA H 556 4.685 4.685 4.602 0.083 18053 596 1 1 . 1 1 126 126 THR C C 556 172.436 172.436 173.881 -1.445 18053 597 1 1 . 1 1 126 126 THR CA C 556 61.382 61.382 62.567 -1.185 18053 598 1 1 . 1 1 126 126 THR CB C 556 70.444 70.444 68.830 1.614 18053 599 1 1 . 1 1 127 127 VAL N N 557 124.976 124.976 127.873 -2.897 18053 600 1 1 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.057 0.089 18053 601 1 1 . 1 1 127 127 VAL C C 557 173.937 173.937 173.914 0.023 18053 602 1 1 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.338 0.771 18053 603 1 1 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.474 0.285 18053 604 1 1 . 1 1 127 127 VAL H H 557 8.127 8.127 8.046 0.082 18053 605 1 1 . 1 1 128 128 LYS N N 558 125.384 125.384 123.478 1.906 18053 606 1 1 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.276 0.430 18053 607 1 1 . 1 1 128 128 LYS C C 558 175.534 175.534 175.253 0.281 18053 608 1 1 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.897 0.989 18053 609 1 1 . 1 1 128 128 LYS CB C 558 34.673 34.673 35.390 -0.717 18053 610 1 1 . 1 1 128 128 LYS H H 558 8.289 8.289 8.205 0.084 18053 611 1 1 . 1 1 129 129 LYS N N 559 124.005 124.005 123.927 0.078 18053 612 1 1 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.239 0.071 18053 613 1 1 . 1 1 129 129 LYS C C 559 176.571 176.571 176.113 0.458 18053 614 1 1 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.109 -0.367 18053 615 1 1 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.723 1.639 18053 616 1 1 . 1 1 129 129 LYS H H 559 8.461 8.461 8.326 0.135 18053 617 1 1 . 1 1 130 130 SER N N 560 117.195 117.195 119.117 -1.922 18053 618 1 1 . 1 1 130 130 SER HA H 560 4.384 4.384 4.558 -0.174 18053 619 1 1 . 1 1 130 130 SER C C 560 174.565 174.565 173.117 1.448 18053 620 1 1 . 1 1 130 130 SER CA C 560 58.434 58.434 57.997 0.437 18053 621 1 1 . 1 1 130 130 SER CB C 560 63.812 63.812 63.820 -0.008 18053 622 1 1 . 1 1 130 130 SER H H 560 8.465 8.465 8.057 0.408 18053 623 1 1 . 1 1 131 131 SER N N 561 118.149 118.149 116.308 1.841 18053 624 1 1 . 1 1 131 131 SER HA H 561 4.412 4.412 4.309 0.103 18053 625 1 1 . 1 1 131 131 SER C C 561 174.456 174.456 174.144 0.312 18053 626 1 1 . 1 1 131 131 SER CA C 561 58.489 58.489 58.490 -0.001 18053 627 1 1 . 1 1 131 131 SER CB C 561 63.811 63.811 63.510 0.301 18053 628 1 1 . 1 1 131 131 SER H H 561 8.336 8.336 7.872 0.464 18053 629 1 1 . 1 1 132 132 VAL N N 562 121.332 121.332 117.170 4.162 18053 630 1 1 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.083 -0.048 18053 631 1 1 . 1 1 132 132 VAL C C 562 176.066 176.066 176.061 0.005 18053 632 1 1 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.635 -1.189 18053 633 1 1 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.091 0.303 18053 634 1 1 . 1 1 132 132 VAL H H 562 7.982 7.982 7.913 0.069 18053 635 1 1 . 1 1 133 133 MET N N 563 124.022 124.022 122.217 1.805 18053 636 1 1 . 1 1 133 133 MET HA H 563 4.385 4.385 4.557 -0.172 18053 637 1 1 . 1 1 133 133 MET C C 563 176.039 176.039 175.655 0.384 18053 638 1 1 . 1 1 133 133 MET CA C 563 55.350 55.350 54.882 0.468 18053 639 1 1 . 1 1 133 133 MET CB C 563 32.503 32.503 31.724 0.779 18053 640 1 1 . 1 1 133 133 MET H H 563 8.295 8.295 7.765 0.530 18053 641 1 1 . 1 1 134 134 ARG N N 564 122.677 122.677 124.205 -1.528 18053 642 1 1 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.435 -0.173 18053 643 1 1 . 1 1 134 134 ARG C C 564 176.298 176.298 176.615 -0.317 18053 644 1 1 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.323 -0.236 18053 645 1 1 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.087 -0.385 18053 646 1 1 . 1 1 134 134 ARG H H 564 8.295 8.295 8.609 -0.314 18053 647 1 1 . 1 1 135 135 GLU N N 565 121.945 121.945 120.550 1.395 18053 648 1 1 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.153 0.007 18053 649 1 1 . 1 1 135 135 GLU C C 565 176.080 176.080 176.384 -0.304 18053 650 1 1 . 1 1 135 135 GLU CA C 565 56.906 56.906 57.119 -0.213 18053 651 1 1 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.668 1.106 18053 652 1 1 . 1 1 135 135 GLU H H 565 8.470 8.470 8.955 -0.485 18053 653 1 1 . 1 1 136 136 ASN N N 566 118.761 118.761 116.609 2.152 18053 654 1 1 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.600 0.017 18053 655 1 1 . 1 1 136 136 ASN C C 566 175.315 175.315 175.735 -0.420 18053 656 1 1 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.465 -0.272 18053 657 1 1 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.328 0.508 18053 658 1 1 . 1 1 136 136 ASN H H 566 8.341 8.341 8.561 -0.220 18053 659 1 1 . 1 1 137 137 GLU N N 567 121.349 121.349 117.304 4.045 18053 660 1 1 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.150 0.002 18053 661 1 1 . 1 1 137 137 GLU C C 567 176.243 176.243 176.289 -0.046 18053 662 1 1 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.518 -0.612 18053 663 1 1 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.067 0.925 18053 664 1 1 . 1 1 137 137 GLU H H 567 8.349 8.349 8.444 -0.095 18053 665 1 1 . 1 1 138 138 ASN N N 568 118.761 118.761 117.886 0.875 18053 666 1 1 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.872 -0.160 18053 667 1 1 . 1 1 138 138 ASN C C 568 174.551 174.551 174.615 -0.064 18053 668 1 1 . 1 1 138 138 ASN CA C 568 53.193 53.193 52.238 0.955 18053 669 1 1 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.129 1.198 18053 670 1 1 . 1 1 138 138 ASN H H 568 8.397 8.397 7.905 0.491 18053 671 1 2 . 1 1 20 20 ALA N N 450 125.180 125.180 126.141 -0.961 18053 672 1 2 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.462 0.244 18053 673 1 2 . 1 1 20 20 ALA C C 450 177.226 177.226 176.930 0.296 18053 674 1 2 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.280 0.477 18053 675 1 2 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.380 2.031 18053 676 1 2 . 1 1 20 20 ALA H H 450 8.484 8.484 8.641 -0.157 18053 677 1 2 . 1 1 21 21 SER N N 451 115.714 115.714 118.340 -2.626 18053 678 1 2 . 1 1 21 21 SER HA H 451 4.513 4.513 4.412 0.101 18053 679 1 2 . 1 1 21 21 SER C C 451 174.742 174.742 175.094 -0.352 18053 680 1 2 . 1 1 21 21 SER CA C 451 58.516 58.516 57.876 0.640 18053 681 1 2 . 1 1 21 21 SER CB C 451 64.159 64.159 62.948 1.211 18053 682 1 2 . 1 1 21 21 SER H H 451 8.487 8.487 8.036 0.451 18053 683 1 2 . 1 1 22 22 GLY N N 452 111.509 111.509 115.738 -4.229 18053 684 1 2 . 1 1 22 22 GLY C C 452 174.401 174.401 175.556 -1.155 18053 685 1 2 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.285 -0.226 18053 686 1 2 . 1 1 22 22 GLY H H 452 8.198 8.198 8.666 -0.468 18053 687 1 2 . 1 1 23 23 SER N N 453 116.191 116.191 116.025 0.166 18053 688 1 2 . 1 1 23 23 SER HA H 453 4.364 4.364 4.242 0.122 18053 689 1 2 . 1 1 23 23 SER C C 453 173.432 173.432 173.614 -0.182 18053 690 1 2 . 1 1 23 23 SER CA C 453 59.744 59.744 61.395 -1.651 18053 691 1 2 . 1 1 23 23 SER CB C 453 64.335 64.335 63.830 0.505 18053 692 1 2 . 1 1 23 23 SER H H 453 8.494 8.494 8.184 0.310 18053 693 1 2 . 1 1 24 24 VAL N N 454 121.656 121.656 116.808 4.848 18053 694 1 2 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.242 0.793 18053 695 1 2 . 1 1 24 24 VAL C C 454 174.606 174.606 174.471 0.135 18053 696 1 2 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.472 -0.417 18053 697 1 2 . 1 1 24 24 VAL CB C 454 32.503 32.503 34.278 -1.774 18053 698 1 2 . 1 1 24 24 VAL H H 454 7.830 7.830 7.779 0.051 18053 699 1 2 . 1 1 25 25 SER N N 455 119.323 119.323 118.856 0.467 18053 700 1 2 . 1 1 25 25 SER HA H 455 4.672 4.672 4.975 -0.303 18053 701 1 2 . 1 1 25 25 SER C C 455 174.426 174.426 173.202 1.224 18053 702 1 2 . 1 1 25 25 SER CA C 455 55.268 55.268 55.100 0.168 18053 703 1 2 . 1 1 25 25 SER CB C 455 65.162 65.162 65.805 -0.643 18053 704 1 2 . 1 1 25 25 SER H H 455 9.065 9.065 8.736 0.329 18053 705 1 2 . 1 1 26 26 ILE N N 456 119.468 119.468 122.193 -2.725 18053 706 1 2 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.175 0.005 18053 707 1 2 . 1 1 26 26 ILE C C 456 175.506 175.506 175.809 -0.303 18053 708 1 2 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.930 -0.602 18053 709 1 2 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.958 0.004 18053 710 1 2 . 1 1 26 26 ILE H H 456 8.295 8.295 8.677 -0.382 18053 711 1 2 . 1 1 27 27 GLU N N 457 129.726 129.726 129.992 -0.266 18053 712 1 2 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.299 -0.071 18053 713 1 2 . 1 1 27 27 GLU C C 457 175.179 175.179 176.058 -0.879 18053 714 1 2 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.778 -2.346 18053 715 1 2 . 1 1 27 27 GLU CB C 457 30.142 30.142 31.107 -0.965 18053 716 1 2 . 1 1 27 27 GLU H H 457 8.393 8.393 8.693 -0.300 18053 717 1 2 . 1 1 28 28 GLU N N 458 117.076 117.076 115.677 1.399 18053 718 1 2 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.686 -0.518 18053 719 1 2 . 1 1 28 28 GLU C C 458 174.701 174.701 174.798 -0.097 18053 720 1 2 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.072 1.834 18053 721 1 2 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.055 -2.207 18053 722 1 2 . 1 1 28 28 GLU H H 458 7.489 7.489 7.878 -0.389 18053 723 1 2 . 1 1 29 29 ILE N N 459 122.183 122.183 119.856 2.327 18053 724 1 2 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.978 -0.214 18053 725 1 2 . 1 1 29 29 ILE C C 459 174.169 174.169 174.610 -0.441 18053 726 1 2 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.339 0.187 18053 727 1 2 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.083 -0.774 18053 728 1 2 . 1 1 29 29 ILE H H 459 8.126 8.126 8.306 -0.180 18053 729 1 2 . 1 1 30 30 ASP N N 460 123.205 123.205 124.056 -0.851 18053 730 1 2 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.374 -0.191 18053 731 1 2 . 1 1 30 30 ASP C C 460 178.318 178.318 177.626 0.692 18053 732 1 2 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.131 0.799 18053 733 1 2 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.579 0.228 18053 734 1 2 . 1 1 30 30 ASP H H 460 6.704 6.704 7.529 -0.825 18053 735 1 2 . 1 1 31 31 LEU N N 461 128.551 128.551 119.944 8.607 18053 736 1 2 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.363 -0.299 18053 737 1 2 . 1 1 31 31 LEU C C 461 177.513 177.513 177.755 -0.242 18053 738 1 2 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.050 0.074 18053 739 1 2 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.837 -0.600 18053 740 1 2 . 1 1 31 31 LEU H H 461 9.012 9.012 8.243 0.769 18053 741 1 2 . 1 1 32 32 GLU N N 462 115.101 115.101 117.783 -2.682 18053 742 1 2 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.354 -0.071 18053 743 1 2 . 1 1 32 32 GLU C C 462 177.062 177.062 177.307 -0.245 18053 744 1 2 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.363 -0.604 18053 745 1 2 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.303 -0.734 18053 746 1 2 . 1 1 32 32 GLU H H 462 7.588 7.588 7.775 -0.187 18053 747 1 2 . 1 1 33 33 GLY N N 463 106.299 106.299 106.370 -0.071 18053 748 1 2 . 1 1 33 33 GLY C C 463 174.824 174.824 175.215 -0.391 18053 749 1 2 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.592 1.214 18053 750 1 2 . 1 1 33 33 GLY H H 463 7.372 7.372 7.654 -0.282 18053 751 1 2 . 1 1 34 34 LYS N N 464 118.744 118.744 117.923 0.821 18053 752 1 2 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.257 0.305 18053 753 1 2 . 1 1 34 34 LYS C C 464 177.076 177.076 175.245 1.831 18053 754 1 2 . 1 1 34 34 LYS CA C 464 59.963 59.963 56.742 3.221 18053 755 1 2 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.028 0.083 18053 756 1 2 . 1 1 34 34 LYS H H 464 9.547 9.547 8.295 1.252 18053 757 1 2 . 1 1 35 35 PHE N N 465 109.125 109.125 112.270 -3.145 18053 758 1 2 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.579 0.935 18053 759 1 2 . 1 1 35 35 PHE C C 465 174.183 174.183 172.627 1.556 18053 760 1 2 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.592 1.040 18053 761 1 2 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.734 -0.135 18053 762 1 2 . 1 1 35 35 PHE H H 465 6.740 6.740 7.068 -0.328 18053 763 1 2 . 1 1 36 36 VAL N N 466 119.579 119.579 120.324 -0.745 18053 764 1 2 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.053 -0.344 18053 765 1 2 . 1 1 36 36 VAL C C 466 172.668 172.668 174.048 -1.380 18053 766 1 2 . 1 1 36 36 VAL CA C 466 62.692 62.692 60.979 1.713 18053 767 1 2 . 1 1 36 36 VAL CB C 466 36.215 36.215 33.884 2.331 18053 768 1 2 . 1 1 36 36 VAL H H 466 7.628 7.628 8.206 -0.578 18053 769 1 2 . 1 1 37 37 GLN N N 467 126.831 126.831 127.680 -0.849 18053 770 1 2 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.567 0.882 18053 771 1 2 . 1 1 37 37 GLN C C 467 174.797 174.797 174.683 0.114 18053 772 1 2 . 1 1 37 37 GLN CA C 467 54.121 54.121 55.297 -1.176 18053 773 1 2 . 1 1 37 37 GLN CB C 467 34.623 34.623 30.382 4.241 18053 774 1 2 . 1 1 37 37 GLN H H 467 8.392 8.392 8.453 -0.061 18053 775 1 2 . 1 1 38 38 LEU N N 468 123.018 123.018 127.034 -4.016 18053 776 1 2 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.264 0.158 18053 777 1 2 . 1 1 38 38 LEU C C 468 175.588 175.588 175.820 -0.232 18053 778 1 2 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.361 -0.659 18053 779 1 2 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.523 -0.476 18053 780 1 2 . 1 1 38 38 LEU H H 468 9.103 9.103 8.982 0.121 18053 781 1 2 . 1 1 39 39 LYS N N 469 118.983 118.983 120.498 -1.515 18053 782 1 2 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.659 0.193 18053 783 1 2 . 1 1 39 39 LYS C C 469 173.309 173.309 174.401 -1.092 18053 784 1 2 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.837 0.157 18053 785 1 2 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.394 1.852 18053 786 1 2 . 1 1 39 39 LYS H H 469 8.496 8.496 8.848 -0.352 18053 787 1 2 . 1 1 40 40 ASN N N 470 121.758 121.758 125.634 -3.876 18053 788 1 2 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.792 -0.004 18053 789 1 2 . 1 1 40 40 ASN C C 470 174.496 174.496 174.521 -0.025 18053 790 1 2 . 1 1 40 40 ASN CA C 470 51.119 51.119 53.843 -2.724 18053 791 1 2 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.503 -1.944 18053 792 1 2 . 1 1 40 40 ASN H H 470 8.283 8.283 8.678 -0.395 18053 793 1 2 . 1 1 41 41 ASN N N 471 122.422 122.422 123.523 -1.101 18053 794 1 2 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.918 -0.330 18053 795 1 2 . 1 1 41 41 ASN C C 471 174.810 174.810 174.489 0.321 18053 796 1 2 . 1 1 41 41 ASN CA C 471 53.985 53.985 52.282 1.703 18053 797 1 2 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.434 0.166 18053 798 1 2 . 1 1 41 41 ASN H H 471 8.681 8.681 8.349 0.332 18053 799 1 2 . 1 1 42 42 SER N N 472 116.446 116.446 115.693 0.753 18053 800 1 2 . 1 1 42 42 SER HA H 472 4.719 4.719 4.381 0.338 18053 801 1 2 . 1 1 42 42 SER C C 472 172.804 172.804 174.401 -1.597 18053 802 1 2 . 1 1 42 42 SER CA C 472 57.288 57.288 58.212 -0.924 18053 803 1 2 . 1 1 42 42 SER CB C 472 66.241 66.241 64.097 2.144 18053 804 1 2 . 1 1 42 42 SER H H 472 8.370 8.370 7.808 0.562 18053 805 1 2 . 1 1 43 43 ASP N N 473 117.706 117.706 121.945 -4.239 18053 806 1 2 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.696 -0.222 18053 807 1 2 . 1 1 43 43 ASP C C 473 175.343 175.343 176.234 -0.891 18053 808 1 2 . 1 1 43 43 ASP CA C 473 53.521 53.521 54.458 -0.937 18053 809 1 2 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.797 -0.475 18053 810 1 2 . 1 1 43 43 ASP H H 473 8.254 8.254 8.596 -0.342 18053 811 1 2 . 1 1 44 44 LYS N N 474 120.209 120.209 119.805 0.404 18053 812 1 2 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.512 0.057 18053 813 1 2 . 1 1 44 44 LYS C C 474 175.397 175.397 174.505 0.892 18053 814 1 2 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.584 -0.572 18053 815 1 2 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.455 0.928 18053 816 1 2 . 1 1 44 44 LYS H H 474 8.305 8.305 7.521 0.784 18053 817 1 2 . 1 1 45 45 ASP N N 475 124.993 124.993 118.639 6.354 18053 818 1 2 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.518 -0.543 18053 819 1 2 . 1 1 45 45 ASP C C 475 174.810 174.810 175.721 -0.911 18053 820 1 2 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.495 0.499 18053 821 1 2 . 1 1 45 45 ASP CB C 475 40.364 40.364 41.136 -0.772 18053 822 1 2 . 1 1 45 45 ASP H H 475 8.722 8.722 8.383 0.339 18053 823 1 2 . 1 1 46 46 GLN N N 476 120.549 120.549 123.218 -2.669 18053 824 1 2 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.601 -0.165 18053 825 1 2 . 1 1 46 46 GLN C C 476 174.019 174.019 174.523 -0.504 18053 826 1 2 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.423 -1.285 18053 827 1 2 . 1 1 46 46 GLN CB C 476 31.466 31.466 31.370 0.096 18053 828 1 2 . 1 1 46 46 GLN H H 476 7.878 7.878 8.617 -0.739 18053 829 1 2 . 1 1 47 47 SER N N 477 121.537 121.537 121.457 0.080 18053 830 1 2 . 1 1 47 47 SER HA H 477 4.229 4.229 4.291 -0.062 18053 831 1 2 . 1 1 47 47 SER C C 477 174.565 174.565 173.669 0.896 18053 832 1 2 . 1 1 47 47 SER CA C 477 58.706 58.706 58.600 0.106 18053 833 1 2 . 1 1 47 47 SER CB C 477 62.965 62.965 63.446 -0.481 18053 834 1 2 . 1 1 47 47 SER H H 477 8.748 8.748 8.693 0.055 18053 835 1 2 . 1 1 48 48 LEU N N 478 127.751 127.751 124.816 2.935 18053 836 1 2 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.343 -1.712 18053 837 1 2 . 1 1 48 48 LEU C C 478 176.789 176.789 177.330 -0.541 18053 838 1 2 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.885 -1.783 18053 839 1 2 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.437 -1.094 18053 840 1 2 . 1 1 48 48 LEU H H 478 7.856 7.856 8.138 -0.282 18053 841 1 2 . 1 1 49 49 GLY N N 479 107.525 107.525 107.429 0.096 18053 842 1 2 . 1 1 49 49 GLY C C 479 176.653 176.653 175.164 1.489 18053 843 1 2 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.894 2.168 18053 844 1 2 . 1 1 49 49 GLY H H 479 7.728 7.728 8.814 -1.086 18053 845 1 2 . 1 1 50 50 ASN N N 480 117.059 117.059 119.024 -1.965 18053 846 1 2 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.632 -0.377 18053 847 1 2 . 1 1 50 50 ASN C C 480 174.961 174.961 174.978 -0.017 18053 848 1 2 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.160 2.200 18053 849 1 2 . 1 1 50 50 ASN CB C 480 37.416 37.416 39.237 -1.821 18053 850 1 2 . 1 1 50 50 ASN H H 480 7.552 7.552 8.676 -1.124 18053 851 1 2 . 1 1 51 51 TRP N N 481 122.166 122.166 118.502 3.664 18053 852 1 2 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.883 -0.406 18053 853 1 2 . 1 1 51 51 TRP C C 481 175.575 175.575 175.668 -0.093 18053 854 1 2 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.406 0.356 18053 855 1 2 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.850 -1.809 18053 856 1 2 . 1 1 51 51 TRP H H 481 8.914 8.914 7.853 1.061 18053 857 1 2 . 1 1 52 52 ARG N N 482 116.480 116.480 118.832 -2.352 18053 858 1 2 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.161 0.807 18053 859 1 2 . 1 1 52 52 ARG C C 482 175.807 175.807 174.799 1.008 18053 860 1 2 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.758 -0.638 18053 861 1 2 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.028 1.096 18053 862 1 2 . 1 1 52 52 ARG H H 482 9.147 9.147 9.241 -0.094 18053 863 1 2 . 1 1 53 53 ILE N N 483 119.579 119.579 124.769 -5.190 18053 864 1 2 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.636 0.349 18053 865 1 2 . 1 1 53 53 ILE C C 483 175.670 175.670 175.554 0.116 18053 866 1 2 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.851 -0.451 18053 867 1 2 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.505 1.722 18053 868 1 2 . 1 1 53 53 ILE H H 483 9.000 9.000 8.723 0.277 18053 869 1 2 . 1 1 54 54 LYS N N 484 124.737 124.737 129.034 -4.297 18053 870 1 2 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.963 0.500 18053 871 1 2 . 1 1 54 54 LYS C C 484 175.575 175.575 175.645 -0.070 18053 872 1 2 . 1 1 54 54 LYS CA C 484 54.613 54.613 55.252 -0.638 18053 873 1 2 . 1 1 54 54 LYS CB C 484 35.041 35.041 32.640 2.401 18053 874 1 2 . 1 1 54 54 LYS H H 484 9.678 9.678 8.920 0.758 18053 875 1 2 . 1 1 55 55 ARG N N 485 124.090 124.090 126.779 -2.689 18053 876 1 2 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.407 1.118 18053 877 1 2 . 1 1 55 55 ARG C C 485 174.155 174.155 174.966 -0.811 18053 878 1 2 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.865 -1.962 18053 879 1 2 . 1 1 55 55 ARG H H 485 9.314 9.314 8.465 0.849 18053 880 1 2 . 1 1 56 56 GLN N N 486 126.576 126.576 127.392 -0.816 18053 881 1 2 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.476 0.366 18053 882 1 2 . 1 1 56 56 GLN C C 486 174.991 174.991 174.146 0.845 18053 883 1 2 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.731 0.100 18053 884 1 2 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.369 2.096 18053 885 1 2 . 1 1 56 56 GLN H H 486 8.831 8.831 8.242 0.589 18053 886 1 2 . 1 1 57 57 VAL N N 487 126.712 126.712 126.941 -0.229 18053 887 1 2 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.245 0.021 18053 888 1 2 . 1 1 57 57 VAL C C 487 175.916 175.916 177.091 -1.175 18053 889 1 2 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.948 -0.128 18053 890 1 2 . 1 1 57 57 VAL CB C 487 32.803 32.803 31.996 0.807 18053 891 1 2 . 1 1 57 57 VAL H H 487 8.786 8.786 8.595 0.191 18053 892 1 2 . 1 1 58 58 LEU N N 488 127.274 127.274 126.511 0.763 18053 893 1 2 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.108 -0.023 18053 894 1 2 . 1 1 58 58 LEU C C 488 177.158 177.158 177.971 -0.813 18053 895 1 2 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.880 -0.974 18053 896 1 2 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.655 -0.281 18053 897 1 2 . 1 1 58 58 LEU H H 488 8.316 8.316 8.470 -0.154 18053 898 1 2 . 1 1 59 59 GLU N N 489 119.647 119.647 118.818 0.829 18053 899 1 2 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.192 -0.080 18053 900 1 2 . 1 1 59 59 GLU C C 489 176.230 176.230 177.407 -1.177 18053 901 1 2 . 1 1 59 59 GLU CA C 489 57.015 57.015 57.477 -0.463 18053 902 1 2 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.828 -1.679 18053 903 1 2 . 1 1 59 59 GLU H H 489 8.636 8.636 8.429 0.207 18053 904 1 2 . 1 1 60 60 GLY N N 490 108.819 108.819 106.576 2.243 18053 905 1 2 . 1 1 60 60 GLY C C 490 173.568 173.568 173.797 -0.229 18053 906 1 2 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.510 0.263 18053 907 1 2 . 1 1 60 60 GLY H H 490 8.160 8.160 7.735 0.425 18053 908 1 2 . 1 1 61 61 GLU N N 491 121.009 121.009 121.405 -0.396 18053 909 1 2 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.596 -0.273 18053 910 1 2 . 1 1 61 61 GLU C C 491 175.725 175.725 175.034 0.691 18053 911 1 2 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.178 1.018 18053 912 1 2 . 1 1 61 61 GLU CB C 491 30.865 30.865 31.048 -0.183 18053 913 1 2 . 1 1 61 61 GLU H H 491 8.320 8.320 7.855 0.465 18053 914 1 2 . 1 1 62 62 GLU N N 492 123.426 123.426 125.325 -1.899 18053 915 1 2 . 1 1 62 62 GLU HA H 492 5.054 5.054 4.950 0.104 18053 916 1 2 . 1 1 62 62 GLU C C 492 175.930 175.930 175.707 0.223 18053 917 1 2 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.824 0.826 18053 918 1 2 . 1 1 62 62 GLU CB C 492 32.312 32.312 28.968 3.344 18053 919 1 2 . 1 1 62 62 GLU H H 492 8.594 8.594 8.678 -0.084 18053 920 1 2 . 1 1 63 63 ILE N N 493 119.732 119.732 118.985 0.747 18053 921 1 2 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.798 -0.010 18053 922 1 2 . 1 1 63 63 ILE C C 493 174.647 174.647 174.328 0.319 18053 923 1 2 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.646 0.535 18053 924 1 2 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.648 0.535 18053 925 1 2 . 1 1 63 63 ILE H H 493 8.523 8.523 8.163 0.360 18053 926 1 2 . 1 1 64 64 ALA N N 494 122.166 122.166 122.465 -0.299 18053 927 1 2 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.962 0.559 18053 928 1 2 . 1 1 64 64 ALA C C 494 174.606 174.606 175.604 -0.998 18053 929 1 2 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.846 -0.318 18053 930 1 2 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.619 0.620 18053 931 1 2 . 1 1 64 64 ALA H H 494 8.741 8.741 8.227 0.514 18053 932 1 2 . 1 1 65 65 TYR N N 495 126.729 126.729 125.019 1.710 18053 933 1 2 . 1 1 65 65 TYR HA H 495 3.094 3.094 4.200 -1.106 18053 934 1 2 . 1 1 65 65 TYR C C 495 173.036 173.036 173.429 -0.393 18053 935 1 2 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.185 0.720 18053 936 1 2 . 1 1 65 65 TYR CB C 495 40.269 40.269 40.705 -0.436 18053 937 1 2 . 1 1 65 65 TYR H H 495 8.462 8.462 8.328 0.134 18053 938 1 2 . 1 1 66 66 LYS N N 496 128.108 128.108 126.789 1.319 18053 939 1 2 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.487 0.335 18053 940 1 2 . 1 1 66 66 LYS C C 496 174.906 174.906 174.787 0.119 18053 941 1 2 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.300 -1.561 18053 942 1 2 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.567 1.215 18053 943 1 2 . 1 1 66 66 LYS H H 496 7.010 7.010 7.762 -0.752 18053 944 1 2 . 1 1 67 67 PHE N N 497 125.299 125.299 119.505 5.794 18053 945 1 2 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.237 -0.305 18053 946 1 2 . 1 1 67 67 PHE C C 497 177.990 177.990 176.449 1.541 18053 947 1 2 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.834 1.173 18053 948 1 2 . 1 1 67 67 PHE CB C 497 40.981 40.981 39.589 1.392 18053 949 1 2 . 1 1 67 67 PHE H H 497 8.509 8.509 8.489 0.021 18053 950 1 2 . 1 1 68 68 THR N N 498 116.191 116.191 113.201 2.990 18053 951 1 2 . 1 1 68 68 THR HA H 498 4.417 4.417 4.628 -0.211 18053 952 1 2 . 1 1 68 68 THR CA C 498 60.855 60.855 59.882 0.973 18053 953 1 2 . 1 1 68 68 THR CB C 498 68.019 68.019 68.442 -0.423 18053 954 1 2 . 1 1 68 68 THR H H 498 8.688 8.688 8.353 0.335 18053 955 1 2 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.476 -0.528 18053 956 1 2 . 1 1 69 69 PRO C C 499 177.444 177.444 177.149 0.295 18053 957 1 2 . 1 1 69 69 PRO CA C 499 66.077 66.077 65.154 0.923 18053 958 1 2 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.890 0.886 18053 959 1 2 . 1 1 70 70 LYS N N 500 113.552 113.552 115.900 -2.348 18053 960 1 2 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.151 0.234 18053 961 1 2 . 1 1 70 70 LYS C C 500 176.325 176.325 176.709 -0.384 18053 962 1 2 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.830 -1.835 18053 963 1 2 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.674 0.119 18053 964 1 2 . 1 1 70 70 LYS H H 500 8.016 8.016 7.961 0.055 18053 965 1 2 . 1 1 71 71 TYR N N 501 121.860 121.860 121.629 0.231 18053 966 1 2 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.381 -0.651 18053 967 1 2 . 1 1 71 71 TYR C C 501 174.838 174.838 173.815 1.023 18053 968 1 2 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.156 3.154 18053 969 1 2 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.242 -0.461 18053 970 1 2 . 1 1 71 71 TYR H H 501 7.460 7.460 7.728 -0.268 18053 971 1 2 . 1 1 72 72 ILE N N 502 129.487 129.487 127.758 1.729 18053 972 1 2 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.300 -0.372 18053 973 1 2 . 1 1 72 72 ILE C C 502 172.968 172.968 174.208 -1.240 18053 974 1 2 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.517 -0.208 18053 975 1 2 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.356 0.554 18053 976 1 2 . 1 1 72 72 ILE H H 502 7.168 7.168 7.930 -0.762 18053 977 1 2 . 1 1 73 73 LEU N N 503 128.278 128.278 129.049 -0.771 18053 978 1 2 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.452 0.041 18053 979 1 2 . 1 1 73 73 LEU C C 503 175.834 175.834 175.353 0.481 18053 980 1 2 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.578 -1.613 18053 981 1 2 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.471 -1.923 18053 982 1 2 . 1 1 73 73 LEU H H 503 8.483 8.483 8.590 -0.107 18053 983 1 2 . 1 1 74 74 ARG N N 504 129.589 129.589 125.494 4.095 18053 984 1 2 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.382 -0.639 18053 985 1 2 . 1 1 74 74 ARG C C 504 175.233 175.233 175.281 -0.048 18053 986 1 2 . 1 1 74 74 ARG CA C 504 56.851 56.851 54.572 2.280 18053 987 1 2 . 1 1 74 74 ARG CB C 504 30.292 30.292 31.298 -1.006 18053 988 1 2 . 1 1 74 74 ARG H H 504 8.673 8.673 8.388 0.285 18053 989 1 2 . 1 1 75 75 ALA N N 505 123.205 123.205 124.350 -1.145 18053 990 1 2 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.480 -0.958 18053 991 1 2 . 1 1 75 75 ALA C C 505 178.441 178.441 178.552 -0.111 18053 992 1 2 . 1 1 75 75 ALA CA C 505 53.794 53.794 52.160 1.634 18053 993 1 2 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.719 0.191 18053 994 1 2 . 1 1 75 75 ALA H H 505 8.564 8.564 8.271 0.293 18053 995 1 2 . 1 1 76 76 GLY N N 506 112.241 112.241 111.974 0.267 18053 996 1 2 . 1 1 76 76 GLY C C 506 174.278 174.278 174.257 0.021 18053 997 1 2 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.368 1.357 18053 998 1 2 . 1 1 76 76 GLY H H 506 7.381 7.381 8.657 -1.276 18053 999 1 2 . 1 1 77 77 GLN N N 507 117.382 117.382 118.124 -0.742 18053 1000 1 2 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.704 -0.340 18053 1001 1 2 . 1 1 77 77 GLN C C 507 173.937 173.937 174.365 -0.428 18053 1002 1 2 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.014 0.544 18053 1003 1 2 . 1 1 77 77 GLN CB C 507 30.073 30.073 31.886 -1.813 18053 1004 1 2 . 1 1 77 77 GLN H H 507 7.996 7.996 7.612 0.384 18053 1005 1 2 . 1 1 78 78 MET N N 508 116.957 116.957 115.433 1.524 18053 1006 1 2 . 1 1 78 78 MET HA H 508 5.388 5.388 4.773 0.615 18053 1007 1 2 . 1 1 78 78 MET C C 508 175.807 175.807 173.657 2.150 18053 1008 1 2 . 1 1 78 78 MET CA C 508 54.067 54.067 54.897 -0.830 18053 1009 1 2 . 1 1 78 78 MET CB C 508 37.198 37.198 36.220 0.978 18053 1010 1 2 . 1 1 78 78 MET H H 508 8.092 8.092 8.267 -0.175 18053 1011 1 2 . 1 1 79 79 VAL N N 509 119.340 119.340 119.065 0.275 18053 1012 1 2 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.576 0.380 18053 1013 1 2 . 1 1 79 79 VAL C C 509 172.217 172.217 173.991 -1.774 18053 1014 1 2 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.947 -1.476 18053 1015 1 2 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.950 -1.274 18053 1016 1 2 . 1 1 79 79 VAL H H 509 8.534 8.534 8.303 0.231 18053 1017 1 2 . 1 1 80 80 THR N N 510 124.533 124.533 125.162 -0.629 18053 1018 1 2 . 1 1 80 80 THR HA H 510 4.586 4.586 5.004 -0.418 18053 1019 1 2 . 1 1 80 80 THR C C 510 172.215 172.215 174.356 -2.141 18053 1020 1 2 . 1 1 80 80 THR CA C 510 62.119 62.119 61.585 0.534 18053 1021 1 2 . 1 1 80 80 THR CB C 510 69.407 69.407 69.654 -0.247 18053 1022 1 2 . 1 1 80 80 THR H H 510 8.301 8.301 8.484 -0.183 18053 1023 1 2 . 1 1 81 81 VAL N N 511 127.002 127.002 123.524 3.478 18053 1024 1 2 . 1 1 81 81 VAL HA H 511 4.596 4.596 5.130 -0.534 18053 1025 1 2 . 1 1 81 81 VAL C C 511 176.667 176.667 174.443 2.224 18053 1026 1 2 . 1 1 81 81 VAL CA C 511 61.382 61.382 60.520 0.862 18053 1027 1 2 . 1 1 81 81 VAL CB C 511 30.945 30.945 32.935 -1.990 18053 1028 1 2 . 1 1 81 81 VAL H H 511 8.796 8.796 8.276 0.520 18053 1029 1 2 . 1 1 82 82 TRP N N 512 131.479 131.479 126.758 4.721 18053 1030 1 2 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.396 -0.058 18053 1031 1 2 . 1 1 82 82 TRP C C 512 176.885 176.885 175.401 1.484 18053 1032 1 2 . 1 1 82 82 TRP CA C 512 56.442 56.442 55.838 0.604 18053 1033 1 2 . 1 1 82 82 TRP CB C 512 30.701 30.701 33.991 -3.290 18053 1034 1 2 . 1 1 82 82 TRP H H 512 9.924 9.924 9.166 0.758 18053 1035 1 2 . 1 1 83 83 ALA N N 513 123.954 123.954 121.342 2.612 18053 1036 1 2 . 1 1 83 83 ALA HA H 513 4.308 4.308 5.095 -0.787 18053 1037 1 2 . 1 1 83 83 ALA C C 513 178.140 178.140 178.293 -0.153 18053 1038 1 2 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.941 1.270 18053 1039 1 2 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.301 -1.556 18053 1040 1 2 . 1 1 83 83 ALA H H 513 9.048 9.048 8.688 0.360 18053 1041 1 2 . 1 1 84 84 ALA N N 514 125.146 125.146 126.730 -1.584 18053 1042 1 2 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.085 -0.134 18053 1043 1 2 . 1 1 84 84 ALA C C 514 179.519 179.519 178.705 0.814 18053 1044 1 2 . 1 1 84 84 ALA CA C 514 54.804 54.804 55.019 -0.215 18053 1045 1 2 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.023 -0.441 18053 1046 1 2 . 1 1 84 84 ALA H H 514 8.341 8.341 8.412 -0.071 18053 1047 1 2 . 1 1 85 85 GLY N N 515 103.388 103.388 104.059 -0.671 18053 1048 1 2 . 1 1 85 85 GLY C C 515 174.674 174.674 174.607 0.067 18053 1049 1 2 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.594 1.284 18053 1050 1 2 . 1 1 85 85 GLY H H 515 7.996 7.996 7.761 0.235 18053 1051 1 2 . 1 1 86 86 ALA N N 516 120.140 120.140 124.123 -3.983 18053 1052 1 2 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.590 -0.246 18053 1053 1 2 . 1 1 86 86 ALA C C 516 177.690 177.690 178.132 -0.442 18053 1054 1 2 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.959 1.180 18053 1055 1 2 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.447 1.100 18053 1056 1 2 . 1 1 86 86 ALA H H 516 7.474 7.474 7.279 0.195 18053 1057 1 2 . 1 1 87 87 GLY N N 517 105.720 105.720 108.302 -2.582 18053 1058 1 2 . 1 1 87 87 GLY C C 517 173.650 173.650 174.544 -0.894 18053 1059 1 2 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.361 0.653 18053 1060 1 2 . 1 1 87 87 GLY H H 517 7.779 7.779 7.792 -0.013 18053 1061 1 2 . 1 1 88 88 VAL N N 518 121.537 121.537 118.583 2.954 18053 1062 1 2 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.045 -0.460 18053 1063 1 2 . 1 1 88 88 VAL C C 518 174.851 174.851 175.190 -0.339 18053 1064 1 2 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.047 0.227 18053 1065 1 2 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.778 0.598 18053 1066 1 2 . 1 1 88 88 VAL H H 518 7.499 7.499 7.674 -0.175 18053 1067 1 2 . 1 1 89 89 ALA N N 519 128.295 128.295 129.244 -0.949 18053 1068 1 2 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.346 -0.154 18053 1069 1 2 . 1 1 89 89 ALA C C 519 176.680 176.680 176.207 0.473 18053 1070 1 2 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.353 -0.070 18053 1071 1 2 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.334 -0.042 18053 1072 1 2 . 1 1 89 89 ALA H H 519 7.960 7.960 8.122 -0.162 18053 1073 1 2 . 1 1 90 90 HIS N N 520 122.643 122.643 122.908 -0.265 18053 1074 1 2 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.399 -0.366 18053 1075 1 2 . 1 1 90 90 HIS C C 520 175.793 175.793 174.444 1.349 18053 1076 1 2 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.144 2.509 18053 1077 1 2 . 1 1 90 90 HIS CB C 520 32.285 32.285 30.157 2.128 18053 1078 1 2 . 1 1 90 90 HIS H H 520 8.394 8.394 8.709 -0.315 18053 1079 1 2 . 1 1 91 91 SER N N 521 121.247 121.247 123.304 -2.057 18053 1080 1 2 . 1 1 91 91 SER HA H 521 4.629 4.629 4.712 -0.083 18053 1081 1 2 . 1 1 91 91 SER CA C 521 55.843 55.843 56.095 -0.252 18053 1082 1 2 . 1 1 91 91 SER CB C 521 62.367 62.367 63.393 -1.026 18053 1083 1 2 . 1 1 91 91 SER H H 521 8.569 8.569 8.341 0.228 18053 1084 1 2 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.831 -0.829 18053 1085 1 2 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.499 -0.255 18053 1086 1 2 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.509 -0.577 18053 1087 1 2 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.769 -0.097 18053 1088 1 2 . 1 1 93 93 PRO C C 523 177.786 177.786 178.040 -0.254 18053 1089 1 2 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.982 0.021 18053 1090 1 2 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.260 2.646 18053 1091 1 2 . 1 1 94 94 SER N N 524 117.212 117.212 115.794 1.418 18053 1092 1 2 . 1 1 94 94 SER HA H 524 4.678 4.678 4.416 0.262 18053 1093 1 2 . 1 1 94 94 SER C C 524 174.851 174.851 174.397 0.454 18053 1094 1 2 . 1 1 94 94 SER CA C 524 61.874 61.874 61.335 0.539 18053 1095 1 2 . 1 1 94 94 SER CB C 524 64.057 64.057 63.889 0.168 18053 1096 1 2 . 1 1 94 94 SER H H 524 8.463 8.463 8.127 0.336 18053 1097 1 2 . 1 1 95 95 THR N N 525 121.588 121.588 118.542 3.046 18053 1098 1 2 . 1 1 95 95 THR HA H 525 4.859 4.859 5.250 -0.391 18053 1099 1 2 . 1 1 95 95 THR C C 525 172.094 172.094 173.172 -1.078 18053 1100 1 2 . 1 1 95 95 THR CA C 525 62.309 62.309 61.661 0.648 18053 1101 1 2 . 1 1 95 95 THR CB C 525 70.281 70.281 70.175 0.105 18053 1102 1 2 . 1 1 95 95 THR H H 525 7.631 7.631 7.877 -0.246 18053 1103 1 2 . 1 1 96 96 LEU N N 526 127.274 127.274 128.789 -1.515 18053 1104 1 2 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.329 -0.198 18053 1105 1 2 . 1 1 96 96 LEU C C 526 175.916 175.916 176.062 -0.146 18053 1106 1 2 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.990 -1.915 18053 1107 1 2 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.157 -0.367 18053 1108 1 2 . 1 1 96 96 LEU H H 526 8.977 8.977 8.469 0.508 18053 1109 1 2 . 1 1 97 97 VAL N N 527 124.056 124.056 120.126 3.930 18053 1110 1 2 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.717 0.152 18053 1111 1 2 . 1 1 97 97 VAL C C 527 176.230 176.230 175.158 1.072 18053 1112 1 2 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.639 -0.120 18053 1113 1 2 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.964 -0.260 18053 1114 1 2 . 1 1 97 97 VAL H H 527 10.724 10.724 8.107 2.617 18053 1115 1 2 . 1 1 98 98 TRP N N 528 132.586 132.586 131.374 1.212 18053 1116 1 2 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.343 0.622 18053 1117 1 2 . 1 1 98 98 TRP C C 528 173.391 173.391 174.312 -0.921 18053 1118 1 2 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.402 -2.099 18053 1119 1 2 . 1 1 98 98 TRP CB C 528 28.245 28.245 29.484 -1.239 18053 1120 1 2 . 1 1 98 98 TRP H H 528 9.400 9.400 9.055 0.345 18053 1121 1 2 . 1 1 99 99 LYS N N 529 126.644 126.644 128.668 -2.024 18053 1122 1 2 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.143 -0.304 18053 1123 1 2 . 1 1 99 99 LYS C C 529 177.581 177.581 177.125 0.456 18053 1124 1 2 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.247 1.296 18053 1125 1 2 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.941 -0.764 18053 1126 1 2 . 1 1 99 99 LYS H H 529 8.153 8.153 8.406 -0.253 18053 1127 1 2 . 1 1 100 100 GLY N N 530 110.385 110.385 113.198 -2.813 18053 1128 1 2 . 1 1 100 100 GLY C C 530 172.367 172.367 173.898 -1.531 18053 1129 1 2 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.792 0.486 18053 1130 1 2 . 1 1 100 100 GLY H H 530 8.363 8.363 8.523 -0.160 18053 1131 1 2 . 1 1 101 101 GLN N N 531 121.162 121.162 122.426 -1.264 18053 1132 1 2 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.093 -0.121 18053 1133 1 2 . 1 1 101 101 GLN CA C 531 52.620 52.620 55.108 -2.488 18053 1134 1 2 . 1 1 101 101 GLN CB C 531 27.595 27.595 27.470 0.125 18053 1135 1 2 . 1 1 101 101 GLN H H 531 6.815 6.815 7.420 -0.605 18053 1136 1 2 . 1 1 102 102 SER N N 532 122.728 122.728 121.401 1.327 18053 1137 1 2 . 1 1 102 102 SER HA H 532 3.866 3.866 4.351 -0.485 18053 1138 1 2 . 1 1 102 102 SER C C 532 174.537 174.537 175.858 -1.321 18053 1139 1 2 . 1 1 102 102 SER CA C 532 61.983 61.983 61.537 0.446 18053 1140 1 2 . 1 1 102 102 SER CB C 532 62.802 62.802 63.573 -0.771 18053 1141 1 2 . 1 1 102 102 SER H H 532 8.662 8.662 8.584 0.078 18053 1142 1 2 . 1 1 103 103 SER N N 533 110.811 110.811 115.454 -4.643 18053 1143 1 2 . 1 1 103 103 SER HA H 533 4.240 4.240 4.432 -0.192 18053 1144 1 2 . 1 1 103 103 SER C C 533 174.087 174.087 174.964 -0.877 18053 1145 1 2 . 1 1 103 103 SER CA C 533 56.633 56.633 58.900 -2.267 18053 1146 1 2 . 1 1 103 103 SER CB C 533 64.658 64.658 63.883 0.775 18053 1147 1 2 . 1 1 103 103 SER H H 533 7.134 7.134 7.406 -0.272 18053 1148 1 2 . 1 1 104 104 TRP N N 534 126.133 126.133 122.153 3.980 18053 1149 1 2 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.071 0.027 18053 1150 1 2 . 1 1 104 104 TRP C C 534 176.066 176.066 175.115 0.951 18053 1151 1 2 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.083 2.044 18053 1152 1 2 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.574 0.190 18053 1153 1 2 . 1 1 104 104 TRP H H 534 9.764 9.764 7.579 2.185 18053 1154 1 2 . 1 1 105 105 GLY N N 535 105.907 105.907 106.008 -0.101 18053 1155 1 2 . 1 1 105 105 GLY C C 535 172.217 172.217 173.806 -1.589 18053 1156 1 2 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.856 -0.616 18053 1157 1 2 . 1 1 105 105 GLY H H 535 8.095 8.095 7.679 0.416 18053 1158 1 2 . 1 1 106 106 THR N N 536 111.253 111.253 113.117 -1.864 18053 1159 1 2 . 1 1 106 106 THR HA H 536 3.859 3.859 4.022 -0.163 18053 1160 1 2 . 1 1 106 106 THR C C 536 172.872 172.872 175.144 -2.272 18053 1161 1 2 . 1 1 106 106 THR CA C 536 59.635 59.635 62.188 -2.553 18053 1162 1 2 . 1 1 106 106 THR CB C 536 70.526 70.526 69.436 1.090 18053 1163 1 2 . 1 1 106 106 THR H H 536 7.913 7.913 7.639 0.274 18053 1164 1 2 . 1 1 107 107 GLY N N 537 107.712 107.712 112.237 -4.525 18053 1165 1 2 . 1 1 107 107 GLY C C 537 172.709 172.709 172.943 -0.234 18053 1166 1 2 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.558 -0.392 18053 1167 1 2 . 1 1 107 107 GLY H H 537 7.533 7.533 7.874 -0.341 18053 1168 1 2 . 1 1 108 108 GLU N N 538 118.864 118.864 120.177 -1.313 18053 1169 1 2 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.407 -0.271 18053 1170 1 2 . 1 1 108 108 GLU C C 538 176.353 176.353 176.744 -0.391 18053 1171 1 2 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.255 1.097 18053 1172 1 2 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.884 -0.728 18053 1173 1 2 . 1 1 108 108 GLU H H 538 8.558 8.558 8.449 0.109 18053 1174 1 2 . 1 1 109 109 SER N N 539 110.419 110.419 115.674 -5.255 18053 1175 1 2 . 1 1 109 109 SER HA H 539 4.963 4.963 4.962 0.001 18053 1176 1 2 . 1 1 109 109 SER C C 539 173.787 173.787 172.999 0.788 18053 1177 1 2 . 1 1 109 109 SER CA C 539 57.125 57.125 58.088 -0.963 18053 1178 1 2 . 1 1 109 109 SER CB C 539 64.439 64.439 65.357 -0.918 18053 1179 1 2 . 1 1 109 109 SER H H 539 7.620 7.620 8.321 -0.701 18053 1180 1 2 . 1 1 110 110 PHE N N 540 118.778 118.778 119.502 -0.724 18053 1181 1 2 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.158 -0.077 18053 1182 1 2 . 1 1 110 110 PHE C C 540 176.052 176.052 172.933 3.119 18053 1183 1 2 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.732 0.057 18053 1184 1 2 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.431 -1.671 18053 1185 1 2 . 1 1 110 110 PHE H H 540 8.318 8.318 8.473 -0.155 18053 1186 1 2 . 1 1 112 112 THR HA H 542 5.468 5.468 4.966 0.502 18053 1187 1 2 . 1 1 112 112 THR C C 542 172.381 172.381 173.352 -0.971 18053 1188 1 2 . 1 1 112 112 THR CA C 542 61.818 61.818 62.970 -1.152 18053 1189 1 2 . 1 1 112 112 THR CB C 542 70.990 70.990 70.306 0.684 18053 1190 1 2 . 1 1 113 113 VAL N N 543 124.771 124.771 127.068 -2.297 18053 1191 1 2 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.570 0.294 18053 1192 1 2 . 1 1 113 113 VAL C C 543 173.132 173.132 174.209 -1.077 18053 1193 1 2 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.279 -1.181 18053 1194 1 2 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.598 2.835 18053 1195 1 2 . 1 1 113 113 VAL H H 543 9.380 9.380 9.066 0.314 18053 1196 1 2 . 1 1 114 114 LEU N N 544 128.789 128.789 130.006 -1.217 18053 1197 1 2 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.109 0.211 18053 1198 1 2 . 1 1 114 114 LEU C C 544 174.237 174.237 175.126 -0.889 18053 1199 1 2 . 1 1 114 114 LEU CA C 544 53.193 53.193 54.308 -1.115 18053 1200 1 2 . 1 1 114 114 LEU CB C 544 45.879 45.879 43.913 1.966 18053 1201 1 2 . 1 1 114 114 LEU H H 544 8.948 8.948 8.299 0.649 18053 1202 1 2 . 1 1 115 115 VAL N N 545 127.002 127.002 124.482 2.520 18053 1203 1 2 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.700 0.154 18053 1204 1 2 . 1 1 115 115 VAL C C 545 175.206 175.206 174.610 0.596 18053 1205 1 2 . 1 1 115 115 VAL CA C 545 59.334 59.334 59.575 -0.241 18053 1206 1 2 . 1 1 115 115 VAL CB C 545 34.495 34.495 35.771 -1.276 18053 1207 1 2 . 1 1 115 115 VAL H H 545 9.564 9.564 8.770 0.794 18053 1208 1 2 . 1 1 116 116 ASN N N 546 121.179 121.179 121.128 0.051 18053 1209 1 2 . 1 1 116 116 ASN HA H 546 2.897 2.897 4.120 -1.223 18053 1210 1 2 . 1 1 116 116 ASN C C 546 176.885 176.885 175.508 1.377 18053 1211 1 2 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.296 -0.887 18053 1212 1 2 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.807 -3.168 18053 1213 1 2 . 1 1 116 116 ASN H H 546 8.016 8.016 7.735 0.281 18053 1214 1 2 . 1 1 117 117 ALA N N 547 119.834 119.834 121.402 -1.568 18053 1215 1 2 . 1 1 117 117 ALA HA H 547 3.866 3.866 3.937 -0.071 18053 1216 1 2 . 1 1 117 117 ALA C C 547 177.772 177.772 178.675 -0.903 18053 1217 1 2 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.860 -0.356 18053 1218 1 2 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.513 -0.313 18053 1219 1 2 . 1 1 117 117 ALA H H 547 6.444 6.444 8.292 -1.848 18053 1220 1 2 . 1 1 118 118 ASP N N 548 115.646 115.646 116.941 -1.295 18053 1221 1 2 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.361 0.283 18053 1222 1 2 . 1 1 118 118 ASP C C 548 176.052 176.052 177.421 -1.369 18053 1223 1 2 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.779 -1.712 18053 1224 1 2 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.335 0.339 18053 1225 1 2 . 1 1 118 118 ASP H H 548 7.181 7.181 7.953 -0.772 18053 1226 1 2 . 1 1 119 119 GLY N N 549 107.167 107.167 106.924 0.243 18053 1227 1 2 . 1 1 119 119 GLY C C 549 173.841 173.841 173.996 -0.155 18053 1228 1 2 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.655 0.800 18053 1229 1 2 . 1 1 119 119 GLY H H 549 7.738 7.738 7.569 0.169 18053 1230 1 2 . 1 1 120 120 GLU N N 550 121.196 121.196 120.462 0.734 18053 1231 1 2 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.240 -0.128 18053 1232 1 2 . 1 1 120 120 GLU C C 550 175.588 175.588 175.252 0.336 18053 1233 1 2 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.831 -1.000 18053 1234 1 2 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.202 -0.265 18053 1235 1 2 . 1 1 120 120 GLU H H 550 7.587 7.587 7.803 -0.216 18053 1236 1 2 . 1 1 121 121 GLU N N 551 123.886 123.886 123.407 0.479 18053 1237 1 2 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.243 0.033 18053 1238 1 2 . 1 1 121 121 GLU C C 551 176.817 176.817 176.647 0.170 18053 1239 1 2 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.528 0.268 18053 1240 1 2 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.849 0.106 18053 1241 1 2 . 1 1 121 121 GLU H H 551 8.697 8.697 8.828 -0.131 18053 1242 1 2 . 1 1 122 122 VAL N N 552 120.055 120.055 118.866 1.189 18053 1243 1 2 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.066 0.298 18053 1244 1 2 . 1 1 122 122 VAL C C 552 175.998 175.998 175.176 0.822 18053 1245 1 2 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.593 -0.938 18053 1246 1 2 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.285 0.764 18053 1247 1 2 . 1 1 122 122 VAL H H 552 8.845 8.845 8.003 0.842 18053 1248 1 2 . 1 1 123 123 ALA N N 553 122.098 122.098 120.972 1.126 18053 1249 1 2 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.720 0.170 18053 1250 1 2 . 1 1 123 123 ALA C C 553 175.261 175.261 175.006 0.255 18053 1251 1 2 . 1 1 123 123 ALA CA C 553 52.757 52.757 52.268 0.489 18053 1252 1 2 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.018 0.249 18053 1253 1 2 . 1 1 123 123 ALA H H 553 7.788 7.788 7.766 0.022 18053 1254 1 2 . 1 1 124 124 MET N N 554 118.217 118.217 120.846 -2.629 18053 1255 1 2 . 1 1 124 124 MET HA H 554 5.286 5.286 5.110 0.176 18053 1256 1 2 . 1 1 124 124 MET C C 554 174.428 174.428 174.102 0.326 18053 1257 1 2 . 1 1 124 124 MET CA C 554 55.104 55.104 55.862 -0.758 18053 1258 1 2 . 1 1 124 124 MET CB C 554 35.342 35.342 35.730 -0.388 18053 1259 1 2 . 1 1 124 124 MET H H 554 8.693 8.693 8.617 0.076 18053 1260 1 2 . 1 1 125 125 ARG N N 555 122.132 122.132 126.404 -4.272 18053 1261 1 2 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.805 0.095 18053 1262 1 2 . 1 1 125 125 ARG CA C 555 56.388 56.388 54.922 1.466 18053 1263 1 2 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.724 0.654 18053 1264 1 2 . 1 1 125 125 ARG H H 555 8.919 8.919 8.911 0.008 18053 1265 1 2 . 1 1 126 126 THR HA H 556 4.685 4.685 4.618 0.067 18053 1266 1 2 . 1 1 126 126 THR C C 556 172.436 172.436 173.984 -1.548 18053 1267 1 2 . 1 1 126 126 THR CA C 556 61.382 61.382 62.346 -0.964 18053 1268 1 2 . 1 1 126 126 THR CB C 556 70.444 70.444 69.307 1.137 18053 1269 1 2 . 1 1 127 127 VAL N N 557 124.976 124.976 128.267 -3.291 18053 1270 1 2 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.098 0.048 18053 1271 1 2 . 1 1 127 127 VAL C C 557 173.937 173.937 173.529 0.408 18053 1272 1 2 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.440 0.669 18053 1273 1 2 . 1 1 127 127 VAL CB C 557 33.759 33.759 34.160 -0.402 18053 1274 1 2 . 1 1 127 127 VAL H H 557 8.127 8.127 8.677 -0.550 18053 1275 1 2 . 1 1 128 128 LYS N N 558 125.384 125.384 125.361 0.023 18053 1276 1 2 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.985 -0.279 18053 1277 1 2 . 1 1 128 128 LYS C C 558 175.534 175.534 175.946 -0.412 18053 1278 1 2 . 1 1 128 128 LYS CA C 558 54.886 54.886 52.674 2.212 18053 1279 1 2 . 1 1 128 128 LYS CB C 558 34.673 34.673 34.310 0.363 18053 1280 1 2 . 1 1 128 128 LYS H H 558 8.289 8.289 8.231 0.058 18053 1281 1 2 . 1 1 129 129 LYS N N 559 124.005 124.005 123.497 0.508 18053 1282 1 2 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.169 0.141 18053 1283 1 2 . 1 1 129 129 LYS C C 559 176.571 176.571 175.712 0.859 18053 1284 1 2 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.868 -0.126 18053 1285 1 2 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.550 1.812 18053 1286 1 2 . 1 1 129 129 LYS H H 559 8.461 8.461 8.293 0.168 18053 1287 1 2 . 1 1 130 130 SER N N 560 117.195 117.195 120.886 -3.691 18053 1288 1 2 . 1 1 130 130 SER HA H 560 4.384 4.384 4.683 -0.299 18053 1289 1 2 . 1 1 130 130 SER C C 560 174.565 174.565 173.181 1.384 18053 1290 1 2 . 1 1 130 130 SER CA C 560 58.434 58.434 58.151 0.283 18053 1291 1 2 . 1 1 130 130 SER CB C 560 63.812 63.812 63.598 0.214 18053 1292 1 2 . 1 1 130 130 SER H H 560 8.465 8.465 8.200 0.265 18053 1293 1 2 . 1 1 131 131 SER N N 561 118.149 118.149 122.440 -4.291 18053 1294 1 2 . 1 1 131 131 SER HA H 561 4.412 4.412 4.766 -0.354 18053 1295 1 2 . 1 1 131 131 SER C C 561 174.456 174.456 173.837 0.619 18053 1296 1 2 . 1 1 131 131 SER CA C 561 58.489 58.489 58.498 -0.009 18053 1297 1 2 . 1 1 131 131 SER CB C 561 63.811 63.811 64.284 -0.473 18053 1298 1 2 . 1 1 131 131 SER H H 561 8.336 8.336 8.390 -0.054 18053 1299 1 2 . 1 1 132 132 VAL N N 562 121.332 121.332 123.027 -1.695 18053 1300 1 2 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.362 -0.327 18053 1301 1 2 . 1 1 132 132 VAL C C 562 176.066 176.066 175.082 0.984 18053 1302 1 2 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.585 -0.139 18053 1303 1 2 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.388 0.006 18053 1304 1 2 . 1 1 132 132 VAL H H 562 7.982 7.982 8.534 -0.552 18053 1305 1 2 . 1 1 133 133 MET N N 563 124.022 124.022 119.750 4.272 18053 1306 1 2 . 1 1 133 133 MET HA H 563 4.385 4.385 4.854 -0.469 18053 1307 1 2 . 1 1 133 133 MET C C 563 176.039 176.039 175.103 0.936 18053 1308 1 2 . 1 1 133 133 MET CA C 563 55.350 55.350 54.592 0.758 18053 1309 1 2 . 1 1 133 133 MET CB C 563 32.503 32.503 33.969 -1.466 18053 1310 1 2 . 1 1 133 133 MET H H 563 8.295 8.295 7.541 0.754 18053 1311 1 2 . 1 1 134 134 ARG N N 564 122.677 122.677 120.418 2.259 18053 1312 1 2 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.137 0.125 18053 1313 1 2 . 1 1 134 134 ARG C C 564 176.298 176.298 174.854 1.444 18053 1314 1 2 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.295 -0.208 18053 1315 1 2 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.211 0.491 18053 1316 1 2 . 1 1 134 134 ARG H H 564 8.295 8.295 8.426 -0.131 18053 1317 1 2 . 1 1 135 135 GLU N N 565 121.945 121.945 125.398 -3.453 18053 1318 1 2 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.447 -0.287 18053 1319 1 2 . 1 1 135 135 GLU C C 565 176.080 176.080 176.139 -0.059 18053 1320 1 2 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.057 0.849 18053 1321 1 2 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.988 0.786 18053 1322 1 2 . 1 1 135 135 GLU H H 565 8.470 8.470 8.790 -0.320 18053 1323 1 2 . 1 1 136 136 ASN N N 566 118.761 118.761 121.532 -2.771 18053 1324 1 2 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.758 -0.141 18053 1325 1 2 . 1 1 136 136 ASN C C 566 175.315 175.315 175.268 0.047 18053 1326 1 2 . 1 1 136 136 ASN CA C 566 53.193 53.193 52.614 0.579 18053 1327 1 2 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.300 0.536 18053 1328 1 2 . 1 1 136 136 ASN H H 566 8.341 8.341 8.340 0.001 18053 1329 1 2 . 1 1 137 137 GLU N N 567 121.349 121.349 119.147 2.202 18053 1330 1 2 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.039 0.113 18053 1331 1 2 . 1 1 137 137 GLU C C 567 176.243 176.243 177.202 -0.959 18053 1332 1 2 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.300 -1.394 18053 1333 1 2 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.664 0.328 18053 1334 1 2 . 1 1 137 137 GLU H H 567 8.349 8.349 8.153 0.196 18053 1335 1 2 . 1 1 138 138 ASN N N 568 118.761 118.761 118.858 -0.097 18053 1336 1 2 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.755 -0.043 18053 1337 1 2 . 1 1 138 138 ASN C C 568 174.551 174.551 175.227 -0.676 18053 1338 1 2 . 1 1 138 138 ASN CA C 568 53.193 53.193 52.963 0.230 18053 1339 1 2 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.858 0.469 18053 1340 1 2 . 1 1 138 138 ASN H H 568 8.397 8.397 8.122 0.275 18053 1341 1 3 . 1 1 20 20 ALA N N 450 125.180 125.180 127.514 -2.334 18053 1342 1 3 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.854 -0.148 18053 1343 1 3 . 1 1 20 20 ALA C C 450 177.226 177.226 177.872 -0.646 18053 1344 1 3 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.114 1.643 18053 1345 1 3 . 1 1 20 20 ALA CB C 450 20.411 20.411 19.602 0.809 18053 1346 1 3 . 1 1 20 20 ALA H H 450 8.484 8.484 8.268 0.216 18053 1347 1 3 . 1 1 21 21 SER N N 451 115.714 115.714 119.139 -3.425 18053 1348 1 3 . 1 1 21 21 SER HA H 451 4.513 4.513 4.445 0.068 18053 1349 1 3 . 1 1 21 21 SER C C 451 174.742 174.742 175.804 -1.062 18053 1350 1 3 . 1 1 21 21 SER CA C 451 58.516 58.516 58.240 0.276 18053 1351 1 3 . 1 1 21 21 SER CB C 451 64.159 64.159 62.118 2.041 18053 1352 1 3 . 1 1 21 21 SER H H 451 8.487 8.487 8.414 0.073 18053 1353 1 3 . 1 1 22 22 GLY N N 452 111.509 111.509 115.828 -4.319 18053 1354 1 3 . 1 1 22 22 GLY C C 452 174.401 174.401 174.816 -0.415 18053 1355 1 3 . 1 1 22 22 GLY CA C 452 45.059 45.059 46.659 -1.600 18053 1356 1 3 . 1 1 22 22 GLY H H 452 8.198 8.198 8.579 -0.381 18053 1357 1 3 . 1 1 23 23 SER N N 453 116.191 116.191 115.100 1.091 18053 1358 1 3 . 1 1 23 23 SER HA H 453 4.364 4.364 4.695 -0.331 18053 1359 1 3 . 1 1 23 23 SER C C 453 173.432 173.432 172.921 0.511 18053 1360 1 3 . 1 1 23 23 SER CA C 453 59.744 59.744 59.026 0.718 18053 1361 1 3 . 1 1 23 23 SER CB C 453 64.335 64.335 65.269 -0.934 18053 1362 1 3 . 1 1 23 23 SER H H 453 8.494 8.494 8.597 -0.103 18053 1363 1 3 . 1 1 24 24 VAL N N 454 121.656 121.656 123.642 -1.986 18053 1364 1 3 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.280 0.755 18053 1365 1 3 . 1 1 24 24 VAL C C 454 174.606 174.606 175.824 -1.218 18053 1366 1 3 . 1 1 24 24 VAL CA C 454 61.055 61.055 62.089 -1.034 18053 1367 1 3 . 1 1 24 24 VAL CB C 454 32.503 32.503 32.117 0.386 18053 1368 1 3 . 1 1 24 24 VAL H H 454 7.830 7.830 7.939 -0.109 18053 1369 1 3 . 1 1 25 25 SER N N 455 119.323 119.323 121.809 -2.486 18053 1370 1 3 . 1 1 25 25 SER HA H 455 4.672 4.672 5.007 -0.335 18053 1371 1 3 . 1 1 25 25 SER C C 455 174.426 174.426 173.985 0.441 18053 1372 1 3 . 1 1 25 25 SER CA C 455 55.268 55.268 56.449 -1.181 18053 1373 1 3 . 1 1 25 25 SER CB C 455 65.162 65.162 66.027 -0.865 18053 1374 1 3 . 1 1 25 25 SER H H 455 9.065 9.065 8.943 0.122 18053 1375 1 3 . 1 1 26 26 ILE N N 456 119.468 119.468 123.547 -4.079 18053 1376 1 3 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.160 0.020 18053 1377 1 3 . 1 1 26 26 ILE C C 456 175.506 175.506 176.070 -0.564 18053 1378 1 3 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.026 -0.698 18053 1379 1 3 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.081 0.881 18053 1380 1 3 . 1 1 26 26 ILE H H 456 8.295 8.295 8.819 -0.524 18053 1381 1 3 . 1 1 27 27 GLU N N 457 129.726 129.726 130.361 -0.635 18053 1382 1 3 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.243 -0.015 18053 1383 1 3 . 1 1 27 27 GLU C C 457 175.179 175.179 176.307 -1.128 18053 1384 1 3 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.285 -2.853 18053 1385 1 3 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.531 -0.389 18053 1386 1 3 . 1 1 27 27 GLU H H 457 8.393 8.393 8.574 -0.181 18053 1387 1 3 . 1 1 28 28 GLU N N 458 117.076 117.076 115.409 1.667 18053 1388 1 3 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.705 -0.537 18053 1389 1 3 . 1 1 28 28 GLU C C 458 174.701 174.701 174.680 0.021 18053 1390 1 3 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.215 1.691 18053 1391 1 3 . 1 1 28 28 GLU CB C 458 31.848 31.848 33.845 -1.997 18053 1392 1 3 . 1 1 28 28 GLU H H 458 7.489 7.489 7.948 -0.459 18053 1393 1 3 . 1 1 29 29 ILE N N 459 122.183 122.183 119.347 2.836 18053 1394 1 3 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.994 -0.230 18053 1395 1 3 . 1 1 29 29 ILE C C 459 174.169 174.169 174.618 -0.449 18053 1396 1 3 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.442 0.084 18053 1397 1 3 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.470 -1.161 18053 1398 1 3 . 1 1 29 29 ILE H H 459 8.126 8.126 8.283 -0.157 18053 1399 1 3 . 1 1 30 30 ASP N N 460 123.205 123.205 123.255 -0.050 18053 1400 1 3 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.272 -0.089 18053 1401 1 3 . 1 1 30 30 ASP C C 460 178.318 178.318 177.961 0.357 18053 1402 1 3 . 1 1 30 30 ASP CA C 460 53.930 53.930 54.161 -0.231 18053 1403 1 3 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.334 0.473 18053 1404 1 3 . 1 1 30 30 ASP H H 460 6.704 6.704 7.388 -0.684 18053 1405 1 3 . 1 1 31 31 LEU N N 461 128.551 128.551 121.632 6.919 18053 1406 1 3 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.094 -0.030 18053 1407 1 3 . 1 1 31 31 LEU C C 461 177.513 177.513 177.084 0.429 18053 1408 1 3 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.384 -0.260 18053 1409 1 3 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.854 -0.617 18053 1410 1 3 . 1 1 31 31 LEU H H 461 9.012 9.012 8.236 0.776 18053 1411 1 3 . 1 1 32 32 GLU N N 462 115.101 115.101 116.705 -1.604 18053 1412 1 3 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.304 -0.021 18053 1413 1 3 . 1 1 32 32 GLU C C 462 177.062 177.062 176.712 0.350 18053 1414 1 3 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.096 -1.337 18053 1415 1 3 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.887 -1.318 18053 1416 1 3 . 1 1 32 32 GLU H H 462 7.588 7.588 7.927 -0.339 18053 1417 1 3 . 1 1 33 33 GLY N N 463 106.299 106.299 106.210 0.089 18053 1418 1 3 . 1 1 33 33 GLY C C 463 174.824 174.824 175.214 -0.390 18053 1419 1 3 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.063 1.743 18053 1420 1 3 . 1 1 33 33 GLY H H 463 7.372 7.372 7.977 -0.605 18053 1421 1 3 . 1 1 34 34 LYS N N 464 118.744 118.744 118.763 -0.019 18053 1422 1 3 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.331 0.231 18053 1423 1 3 . 1 1 34 34 LYS C C 464 177.076 177.076 175.514 1.562 18053 1424 1 3 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.068 2.895 18053 1425 1 3 . 1 1 34 34 LYS CB C 464 33.111 33.111 32.873 0.238 18053 1426 1 3 . 1 1 34 34 LYS H H 464 9.547 9.547 8.091 1.456 18053 1427 1 3 . 1 1 35 35 PHE N N 465 109.125 109.125 112.539 -3.414 18053 1428 1 3 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.437 0.077 18053 1429 1 3 . 1 1 35 35 PHE C C 465 174.183 174.183 173.143 1.040 18053 1430 1 3 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.541 1.091 18053 1431 1 3 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.062 -0.463 18053 1432 1 3 . 1 1 35 35 PHE H H 465 6.740 6.740 7.189 -0.449 18053 1433 1 3 . 1 1 36 36 VAL N N 466 119.579 119.579 120.256 -0.677 18053 1434 1 3 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.301 -0.592 18053 1435 1 3 . 1 1 36 36 VAL C C 466 172.668 172.668 174.359 -1.691 18053 1436 1 3 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.602 1.090 18053 1437 1 3 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.830 1.385 18053 1438 1 3 . 1 1 36 36 VAL H H 466 7.628 7.628 8.886 -1.258 18053 1439 1 3 . 1 1 37 37 GLN N N 467 126.831 126.831 127.726 -0.895 18053 1440 1 3 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.706 0.743 18053 1441 1 3 . 1 1 37 37 GLN C C 467 174.797 174.797 174.707 0.090 18053 1442 1 3 . 1 1 37 37 GLN CA C 467 54.121 54.121 55.043 -0.922 18053 1443 1 3 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.577 5.046 18053 1444 1 3 . 1 1 37 37 GLN H H 467 8.392 8.392 8.590 -0.198 18053 1445 1 3 . 1 1 38 38 LEU N N 468 123.018 123.018 127.151 -4.133 18053 1446 1 3 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.242 0.180 18053 1447 1 3 . 1 1 38 38 LEU C C 468 175.588 175.588 176.041 -0.453 18053 1448 1 3 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.544 -0.842 18053 1449 1 3 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.339 -0.293 18053 1450 1 3 . 1 1 38 38 LEU H H 468 9.103 9.103 8.918 0.185 18053 1451 1 3 . 1 1 39 39 LYS N N 469 118.983 118.983 120.410 -1.427 18053 1452 1 3 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.827 0.025 18053 1453 1 3 . 1 1 39 39 LYS C C 469 173.309 173.309 174.263 -0.954 18053 1454 1 3 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.699 0.295 18053 1455 1 3 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.591 1.655 18053 1456 1 3 . 1 1 39 39 LYS H H 469 8.496 8.496 8.838 -0.342 18053 1457 1 3 . 1 1 40 40 ASN N N 470 121.758 121.758 124.400 -2.642 18053 1458 1 3 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.998 -0.210 18053 1459 1 3 . 1 1 40 40 ASN C C 470 174.496 174.496 174.060 0.436 18053 1460 1 3 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.302 -1.183 18053 1461 1 3 . 1 1 40 40 ASN CB C 470 37.559 37.559 40.119 -2.560 18053 1462 1 3 . 1 1 40 40 ASN H H 470 8.283 8.283 8.764 -0.481 18053 1463 1 3 . 1 1 41 41 ASN N N 471 122.422 122.422 124.609 -2.187 18053 1464 1 3 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.953 -0.365 18053 1465 1 3 . 1 1 41 41 ASN C C 471 174.810 174.810 173.895 0.915 18053 1466 1 3 . 1 1 41 41 ASN CA C 471 53.985 53.985 52.732 1.253 18053 1467 1 3 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.787 -0.187 18053 1468 1 3 . 1 1 41 41 ASN H H 471 8.681 8.681 8.543 0.138 18053 1469 1 3 . 1 1 42 42 SER N N 472 116.446 116.446 116.646 -0.200 18053 1470 1 3 . 1 1 42 42 SER HA H 472 4.719 4.719 4.587 0.132 18053 1471 1 3 . 1 1 42 42 SER C C 472 172.804 172.804 173.620 -0.816 18053 1472 1 3 . 1 1 42 42 SER CA C 472 57.288 57.288 57.292 -0.005 18053 1473 1 3 . 1 1 42 42 SER CB C 472 66.241 66.241 65.693 0.548 18053 1474 1 3 . 1 1 42 42 SER H H 472 8.370 8.370 8.172 0.198 18053 1475 1 3 . 1 1 43 43 ASP N N 473 117.706 117.706 121.689 -3.983 18053 1476 1 3 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.491 -0.017 18053 1477 1 3 . 1 1 43 43 ASP C C 473 175.343 175.343 175.428 -0.085 18053 1478 1 3 . 1 1 43 43 ASP CA C 473 53.521 53.521 56.487 -2.966 18053 1479 1 3 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.306 -0.984 18053 1480 1 3 . 1 1 43 43 ASP H H 473 8.254 8.254 8.727 -0.473 18053 1481 1 3 . 1 1 44 44 LYS N N 474 120.209 120.209 118.203 2.006 18053 1482 1 3 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.507 0.062 18053 1483 1 3 . 1 1 44 44 LYS C C 474 175.397 175.397 174.251 1.146 18053 1484 1 3 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.721 -0.709 18053 1485 1 3 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.128 1.255 18053 1486 1 3 . 1 1 44 44 LYS H H 474 8.305 8.305 7.600 0.705 18053 1487 1 3 . 1 1 45 45 ASP N N 475 124.993 124.993 118.274 6.719 18053 1488 1 3 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.301 -0.326 18053 1489 1 3 . 1 1 45 45 ASP C C 475 174.810 174.810 175.933 -1.123 18053 1490 1 3 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.450 0.545 18053 1491 1 3 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.250 0.114 18053 1492 1 3 . 1 1 45 45 ASP H H 475 8.722 8.722 8.301 0.421 18053 1493 1 3 . 1 1 46 46 GLN N N 476 120.549 120.549 125.336 -4.787 18053 1494 1 3 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.213 0.223 18053 1495 1 3 . 1 1 46 46 GLN C C 476 174.019 174.019 175.238 -1.219 18053 1496 1 3 . 1 1 46 46 GLN CA C 476 53.138 53.138 55.278 -2.140 18053 1497 1 3 . 1 1 46 46 GLN CB C 476 31.466 31.466 28.819 2.647 18053 1498 1 3 . 1 1 46 46 GLN H H 476 7.878 7.878 8.231 -0.353 18053 1499 1 3 . 1 1 47 47 SER N N 477 121.537 121.537 122.376 -0.839 18053 1500 1 3 . 1 1 47 47 SER HA H 477 4.229 4.229 4.260 -0.031 18053 1501 1 3 . 1 1 47 47 SER C C 477 174.565 174.565 173.745 0.820 18053 1502 1 3 . 1 1 47 47 SER CA C 477 58.706 58.706 58.931 -0.224 18053 1503 1 3 . 1 1 47 47 SER CB C 477 62.965 62.965 62.917 0.048 18053 1504 1 3 . 1 1 47 47 SER H H 477 8.748 8.748 8.742 0.006 18053 1505 1 3 . 1 1 48 48 LEU N N 478 127.751 127.751 126.874 0.877 18053 1506 1 3 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.379 -1.748 18053 1507 1 3 . 1 1 48 48 LEU C C 478 176.789 176.789 176.265 0.524 18053 1508 1 3 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.083 -1.980 18053 1509 1 3 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.306 -0.963 18053 1510 1 3 . 1 1 48 48 LEU H H 478 7.856 7.856 7.680 0.176 18053 1511 1 3 . 1 1 49 49 GLY N N 479 107.525 107.525 108.681 -1.156 18053 1512 1 3 . 1 1 49 49 GLY C C 479 176.653 176.653 175.464 1.189 18053 1513 1 3 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.771 2.291 18053 1514 1 3 . 1 1 49 49 GLY H H 479 7.728 7.728 8.658 -0.930 18053 1515 1 3 . 1 1 50 50 ASN N N 480 117.059 117.059 119.785 -2.726 18053 1516 1 3 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.571 -0.316 18053 1517 1 3 . 1 1 50 50 ASN C C 480 174.961 174.961 175.667 -0.706 18053 1518 1 3 . 1 1 50 50 ASN CA C 480 56.360 56.360 55.237 1.123 18053 1519 1 3 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.760 -1.344 18053 1520 1 3 . 1 1 50 50 ASN H H 480 7.552 7.552 8.799 -1.247 18053 1521 1 3 . 1 1 51 51 TRP N N 481 122.166 122.166 118.918 3.248 18053 1522 1 3 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.819 -0.342 18053 1523 1 3 . 1 1 51 51 TRP C C 481 175.575 175.575 175.479 0.096 18053 1524 1 3 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.747 1.015 18053 1525 1 3 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.963 -1.922 18053 1526 1 3 . 1 1 51 51 TRP H H 481 8.914 8.914 7.830 1.084 18053 1527 1 3 . 1 1 52 52 ARG N N 482 116.480 116.480 117.726 -1.246 18053 1528 1 3 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.068 0.900 18053 1529 1 3 . 1 1 52 52 ARG C C 482 175.807 175.807 174.957 0.850 18053 1530 1 3 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.971 -0.850 18053 1531 1 3 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.810 1.314 18053 1532 1 3 . 1 1 52 52 ARG H H 482 9.147 9.147 8.908 0.239 18053 1533 1 3 . 1 1 53 53 ILE N N 483 119.579 119.579 125.349 -5.770 18053 1534 1 3 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.927 0.058 18053 1535 1 3 . 1 1 53 53 ILE C C 483 175.670 175.670 175.821 -0.151 18053 1536 1 3 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.804 -0.404 18053 1537 1 3 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.563 1.664 18053 1538 1 3 . 1 1 53 53 ILE H H 483 9.000 9.000 8.780 0.220 18053 1539 1 3 . 1 1 54 54 LYS N N 484 124.737 124.737 128.235 -3.498 18053 1540 1 3 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.700 0.763 18053 1541 1 3 . 1 1 54 54 LYS C C 484 175.575 175.575 175.877 -0.302 18053 1542 1 3 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.516 -1.903 18053 1543 1 3 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.751 1.290 18053 1544 1 3 . 1 1 54 54 LYS H H 484 9.678 9.678 8.563 1.115 18053 1545 1 3 . 1 1 55 55 ARG N N 485 124.090 124.090 124.406 -0.316 18053 1546 1 3 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.827 0.698 18053 1547 1 3 . 1 1 55 55 ARG C C 485 174.155 174.155 174.084 0.071 18053 1548 1 3 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.538 -1.635 18053 1549 1 3 . 1 1 55 55 ARG H H 485 9.314 9.314 8.673 0.641 18053 1550 1 3 . 1 1 56 56 GLN N N 486 126.576 126.576 127.738 -1.162 18053 1551 1 3 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.530 0.312 18053 1552 1 3 . 1 1 56 56 GLN C C 486 174.991 174.991 174.770 0.221 18053 1553 1 3 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.691 0.140 18053 1554 1 3 . 1 1 56 56 GLN CB C 486 31.465 31.465 30.289 1.176 18053 1555 1 3 . 1 1 56 56 GLN H H 486 8.831 8.831 8.357 0.474 18053 1556 1 3 . 1 1 57 57 VAL N N 487 126.712 126.712 126.695 0.017 18053 1557 1 3 . 1 1 57 57 VAL HA H 487 4.266 4.266 3.925 0.341 18053 1558 1 3 . 1 1 57 57 VAL C C 487 175.916 175.916 177.614 -1.698 18053 1559 1 3 . 1 1 57 57 VAL CA C 487 61.820 61.820 63.689 -1.869 18053 1560 1 3 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.116 0.687 18053 1561 1 3 . 1 1 57 57 VAL H H 487 8.786 8.786 8.508 0.278 18053 1562 1 3 . 1 1 58 58 LEU N N 488 127.274 127.274 124.236 3.038 18053 1563 1 3 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.058 0.028 18053 1564 1 3 . 1 1 58 58 LEU C C 488 177.158 177.158 178.692 -1.534 18053 1565 1 3 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.140 -1.234 18053 1566 1 3 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.593 -0.218 18053 1567 1 3 . 1 1 58 58 LEU H H 488 8.316 8.316 8.438 -0.122 18053 1568 1 3 . 1 1 59 59 GLU N N 489 119.647 119.647 119.901 -0.254 18053 1569 1 3 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.125 -0.013 18053 1570 1 3 . 1 1 59 59 GLU C C 489 176.230 176.230 177.470 -1.240 18053 1571 1 3 . 1 1 59 59 GLU CA C 489 57.015 57.015 57.677 -0.662 18053 1572 1 3 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.931 -1.782 18053 1573 1 3 . 1 1 59 59 GLU H H 489 8.636 8.636 8.386 0.250 18053 1574 1 3 . 1 1 60 60 GLY N N 490 108.819 108.819 106.881 1.938 18053 1575 1 3 . 1 1 60 60 GLY C C 490 173.568 173.568 173.374 0.194 18053 1576 1 3 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.651 0.122 18053 1577 1 3 . 1 1 60 60 GLY H H 490 8.160 8.160 7.745 0.415 18053 1578 1 3 . 1 1 61 61 GLU N N 491 121.009 121.009 122.089 -1.080 18053 1579 1 3 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.305 0.018 18053 1580 1 3 . 1 1 61 61 GLU C C 491 175.725 175.725 175.615 0.110 18053 1581 1 3 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.667 -0.471 18053 1582 1 3 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.859 1.006 18053 1583 1 3 . 1 1 61 61 GLU H H 491 8.320 8.320 8.554 -0.234 18053 1584 1 3 . 1 1 62 62 GLU N N 492 123.426 123.426 124.978 -1.552 18053 1585 1 3 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.295 -0.241 18053 1586 1 3 . 1 1 62 62 GLU C C 492 175.930 175.930 176.316 -0.386 18053 1587 1 3 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.961 0.689 18053 1588 1 3 . 1 1 62 62 GLU CB C 492 32.312 32.312 32.234 0.078 18053 1589 1 3 . 1 1 62 62 GLU H H 492 8.594 8.594 8.617 -0.023 18053 1590 1 3 . 1 1 63 63 ILE N N 493 119.732 119.732 117.306 2.426 18053 1591 1 3 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.817 -0.029 18053 1592 1 3 . 1 1 63 63 ILE C C 493 174.647 174.647 174.228 0.419 18053 1593 1 3 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.489 0.692 18053 1594 1 3 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.498 -0.315 18053 1595 1 3 . 1 1 63 63 ILE H H 493 8.523 8.523 8.308 0.215 18053 1596 1 3 . 1 1 64 64 ALA N N 494 122.166 122.166 126.257 -4.091 18053 1597 1 3 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.245 0.276 18053 1598 1 3 . 1 1 64 64 ALA C C 494 174.606 174.606 176.290 -1.684 18053 1599 1 3 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.964 0.564 18053 1600 1 3 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.649 1.590 18053 1601 1 3 . 1 1 64 64 ALA H H 494 8.741 8.741 8.535 0.206 18053 1602 1 3 . 1 1 65 65 TYR N N 495 126.729 126.729 127.347 -0.618 18053 1603 1 3 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.893 -0.799 18053 1604 1 3 . 1 1 65 65 TYR C C 495 173.036 173.036 173.517 -0.481 18053 1605 1 3 . 1 1 65 65 TYR CA C 495 56.905 56.905 55.759 1.146 18053 1606 1 3 . 1 1 65 65 TYR CB C 495 40.269 40.269 39.026 1.243 18053 1607 1 3 . 1 1 65 65 TYR H H 495 8.462 8.462 8.646 -0.184 18053 1608 1 3 . 1 1 66 66 LYS N N 496 128.108 128.108 125.890 2.218 18053 1609 1 3 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.426 0.396 18053 1610 1 3 . 1 1 66 66 LYS C C 496 174.906 174.906 174.736 0.170 18053 1611 1 3 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.731 -0.992 18053 1612 1 3 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.518 1.264 18053 1613 1 3 . 1 1 66 66 LYS H H 496 7.010 7.010 7.751 -0.741 18053 1614 1 3 . 1 1 67 67 PHE N N 497 125.299 125.299 120.847 4.452 18053 1615 1 3 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.179 -0.247 18053 1616 1 3 . 1 1 67 67 PHE C C 497 177.990 177.990 175.303 2.687 18053 1617 1 3 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.421 1.586 18053 1618 1 3 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.506 0.475 18053 1619 1 3 . 1 1 67 67 PHE H H 497 8.509 8.509 8.247 0.262 18053 1620 1 3 . 1 1 68 68 THR N N 498 116.191 116.191 111.647 4.544 18053 1621 1 3 . 1 1 68 68 THR HA H 498 4.417 4.417 4.642 -0.225 18053 1622 1 3 . 1 1 68 68 THR CA C 498 60.855 60.855 59.234 1.621 18053 1623 1 3 . 1 1 68 68 THR CB C 498 68.019 68.019 69.377 -1.358 18053 1624 1 3 . 1 1 68 68 THR H H 498 8.688 8.688 8.272 0.416 18053 1625 1 3 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.654 -0.706 18053 1626 1 3 . 1 1 69 69 PRO C C 499 177.444 177.444 177.430 0.014 18053 1627 1 3 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.375 1.702 18053 1628 1 3 . 1 1 69 69 PRO CB C 499 32.776 32.776 32.263 0.513 18053 1629 1 3 . 1 1 70 70 LYS N N 500 113.552 113.552 115.607 -2.055 18053 1630 1 3 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.135 0.250 18053 1631 1 3 . 1 1 70 70 LYS C C 500 176.325 176.325 176.602 -0.277 18053 1632 1 3 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.935 -1.940 18053 1633 1 3 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.739 0.054 18053 1634 1 3 . 1 1 70 70 LYS H H 500 8.016 8.016 8.078 -0.062 18053 1635 1 3 . 1 1 71 71 TYR N N 501 121.860 121.860 121.548 0.312 18053 1636 1 3 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.404 -0.674 18053 1637 1 3 . 1 1 71 71 TYR C C 501 174.838 174.838 173.756 1.082 18053 1638 1 3 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.914 3.396 18053 1639 1 3 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.296 -0.515 18053 1640 1 3 . 1 1 71 71 TYR H H 501 7.460 7.460 7.682 -0.222 18053 1641 1 3 . 1 1 72 72 ILE N N 502 129.487 129.487 126.911 2.576 18053 1642 1 3 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.526 -0.598 18053 1643 1 3 . 1 1 72 72 ILE C C 502 172.968 172.968 173.715 -0.747 18053 1644 1 3 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.544 -0.236 18053 1645 1 3 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.349 -0.439 18053 1646 1 3 . 1 1 72 72 ILE H H 502 7.168 7.168 8.116 -0.948 18053 1647 1 3 . 1 1 73 73 LEU N N 503 128.278 128.278 127.959 0.319 18053 1648 1 3 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.634 -0.141 18053 1649 1 3 . 1 1 73 73 LEU C C 503 175.834 175.834 174.936 0.898 18053 1650 1 3 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.560 -0.596 18053 1651 1 3 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.830 -2.282 18053 1652 1 3 . 1 1 73 73 LEU H H 503 8.483 8.483 8.628 -0.145 18053 1653 1 3 . 1 1 74 74 ARG N N 504 129.589 129.589 125.393 4.196 18053 1654 1 3 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.192 -0.449 18053 1655 1 3 . 1 1 74 74 ARG C C 504 175.233 175.233 175.541 -0.308 18053 1656 1 3 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.137 1.714 18053 1657 1 3 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.678 -0.386 18053 1658 1 3 . 1 1 74 74 ARG H H 504 8.673 8.673 8.454 0.219 18053 1659 1 3 . 1 1 75 75 ALA N N 505 123.205 123.205 123.540 -0.335 18053 1660 1 3 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.075 -0.553 18053 1661 1 3 . 1 1 75 75 ALA C C 505 178.441 178.441 177.992 0.449 18053 1662 1 3 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.611 0.183 18053 1663 1 3 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.543 0.367 18053 1664 1 3 . 1 1 75 75 ALA H H 505 8.564 8.564 8.169 0.395 18053 1665 1 3 . 1 1 76 76 GLY N N 506 112.241 112.241 114.103 -1.862 18053 1666 1 3 . 1 1 76 76 GLY C C 506 174.278 174.278 174.988 -0.710 18053 1667 1 3 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.275 1.450 18053 1668 1 3 . 1 1 76 76 GLY H H 506 7.381 7.381 8.518 -1.137 18053 1669 1 3 . 1 1 77 77 GLN N N 507 117.382 117.382 119.034 -1.652 18053 1670 1 3 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.629 -0.265 18053 1671 1 3 . 1 1 77 77 GLN C C 507 173.937 173.937 174.918 -0.981 18053 1672 1 3 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.538 0.020 18053 1673 1 3 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.725 -0.652 18053 1674 1 3 . 1 1 77 77 GLN H H 507 7.996 7.996 7.741 0.255 18053 1675 1 3 . 1 1 78 78 MET N N 508 116.957 116.957 114.981 1.976 18053 1676 1 3 . 1 1 78 78 MET HA H 508 5.388 5.388 4.792 0.596 18053 1677 1 3 . 1 1 78 78 MET C C 508 175.807 175.807 173.672 2.135 18053 1678 1 3 . 1 1 78 78 MET CA C 508 54.067 54.067 54.766 -0.699 18053 1679 1 3 . 1 1 78 78 MET CB C 508 37.198 37.198 36.446 0.752 18053 1680 1 3 . 1 1 78 78 MET H H 508 8.092 8.092 8.307 -0.215 18053 1681 1 3 . 1 1 79 79 VAL N N 509 119.340 119.340 120.028 -0.688 18053 1682 1 3 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.607 0.349 18053 1683 1 3 . 1 1 79 79 VAL C C 509 172.217 172.217 174.169 -1.952 18053 1684 1 3 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.928 -1.457 18053 1685 1 3 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.525 -1.849 18053 1686 1 3 . 1 1 79 79 VAL H H 509 8.534 8.534 8.424 0.110 18053 1687 1 3 . 1 1 80 80 THR N N 510 124.533 124.533 126.173 -1.640 18053 1688 1 3 . 1 1 80 80 THR HA H 510 4.586 4.586 4.978 -0.392 18053 1689 1 3 . 1 1 80 80 THR C C 510 172.215 172.215 174.043 -1.828 18053 1690 1 3 . 1 1 80 80 THR CA C 510 62.119 62.119 61.552 0.567 18053 1691 1 3 . 1 1 80 80 THR CB C 510 69.407 69.407 69.413 -0.007 18053 1692 1 3 . 1 1 80 80 THR H H 510 8.301 8.301 8.752 -0.451 18053 1693 1 3 . 1 1 81 81 VAL N N 511 127.002 127.002 128.791 -1.789 18053 1694 1 3 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.452 0.144 18053 1695 1 3 . 1 1 81 81 VAL C C 511 176.667 176.667 175.129 1.538 18053 1696 1 3 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.755 -1.373 18053 1697 1 3 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.911 0.034 18053 1698 1 3 . 1 1 81 81 VAL H H 511 8.796 8.796 8.813 -0.017 18053 1699 1 3 . 1 1 82 82 TRP N N 512 131.479 131.479 129.142 2.337 18053 1700 1 3 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.270 0.068 18053 1701 1 3 . 1 1 82 82 TRP C C 512 176.885 176.885 175.355 1.530 18053 1702 1 3 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.961 -0.519 18053 1703 1 3 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.273 -0.573 18053 1704 1 3 . 1 1 82 82 TRP H H 512 9.924 9.924 9.199 0.725 18053 1705 1 3 . 1 1 83 83 ALA N N 513 123.954 123.954 120.951 3.003 18053 1706 1 3 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.676 -0.368 18053 1707 1 3 . 1 1 83 83 ALA C C 513 178.140 178.140 178.439 -0.299 18053 1708 1 3 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.961 1.250 18053 1709 1 3 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.133 -1.388 18053 1710 1 3 . 1 1 83 83 ALA H H 513 9.048 9.048 8.644 0.404 18053 1711 1 3 . 1 1 84 84 ALA N N 514 125.146 125.146 125.474 -0.328 18053 1712 1 3 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.089 -0.138 18053 1713 1 3 . 1 1 84 84 ALA C C 514 179.519 179.519 179.176 0.343 18053 1714 1 3 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.877 -0.073 18053 1715 1 3 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.855 -0.273 18053 1716 1 3 . 1 1 84 84 ALA H H 514 8.341 8.341 8.367 -0.026 18053 1717 1 3 . 1 1 85 85 GLY N N 515 103.388 103.388 104.962 -1.574 18053 1718 1 3 . 1 1 85 85 GLY C C 515 174.674 174.674 175.073 -0.399 18053 1719 1 3 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.405 0.473 18053 1720 1 3 . 1 1 85 85 GLY H H 515 7.996 7.996 7.887 0.109 18053 1721 1 3 . 1 1 86 86 ALA N N 516 120.140 120.140 122.327 -2.187 18053 1722 1 3 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.361 -0.017 18053 1723 1 3 . 1 1 86 86 ALA C C 516 177.690 177.690 178.497 -0.807 18053 1724 1 3 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.352 0.787 18053 1725 1 3 . 1 1 86 86 ALA CB C 516 20.547 20.547 18.964 1.583 18053 1726 1 3 . 1 1 86 86 ALA H H 516 7.474 7.474 7.242 0.232 18053 1727 1 3 . 1 1 87 87 GLY N N 517 105.720 105.720 107.810 -2.090 18053 1728 1 3 . 1 1 87 87 GLY C C 517 173.650 173.650 174.759 -1.109 18053 1729 1 3 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.684 0.331 18053 1730 1 3 . 1 1 87 87 GLY H H 517 7.779 7.779 7.710 0.069 18053 1731 1 3 . 1 1 88 88 VAL N N 518 121.537 121.537 119.637 1.900 18053 1732 1 3 . 1 1 88 88 VAL HA H 518 3.585 3.585 3.991 -0.406 18053 1733 1 3 . 1 1 88 88 VAL C C 518 174.851 174.851 175.513 -0.662 18053 1734 1 3 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.574 -0.300 18053 1735 1 3 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.995 0.381 18053 1736 1 3 . 1 1 88 88 VAL H H 518 7.499 7.499 7.736 -0.237 18053 1737 1 3 . 1 1 89 89 ALA N N 519 128.295 128.295 130.978 -2.683 18053 1738 1 3 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.253 -0.061 18053 1739 1 3 . 1 1 89 89 ALA C C 519 176.680 176.680 176.826 -0.146 18053 1740 1 3 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.927 -0.644 18053 1741 1 3 . 1 1 89 89 ALA CB C 519 19.292 19.292 18.551 0.741 18053 1742 1 3 . 1 1 89 89 ALA H H 519 7.960 7.960 8.150 -0.190 18053 1743 1 3 . 1 1 90 90 HIS N N 520 122.643 122.643 125.341 -2.698 18053 1744 1 3 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.313 -0.280 18053 1745 1 3 . 1 1 90 90 HIS C C 520 175.793 175.793 174.319 1.474 18053 1746 1 3 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.099 2.554 18053 1747 1 3 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.850 2.435 18053 1748 1 3 . 1 1 90 90 HIS H H 520 8.394 8.394 8.832 -0.438 18053 1749 1 3 . 1 1 91 91 SER N N 521 121.247 121.247 124.118 -2.871 18053 1750 1 3 . 1 1 91 91 SER HA H 521 4.629 4.629 4.692 -0.063 18053 1751 1 3 . 1 1 91 91 SER CA C 521 55.843 55.843 55.904 -0.061 18053 1752 1 3 . 1 1 91 91 SER CB C 521 62.367 62.367 63.502 -1.135 18053 1753 1 3 . 1 1 91 91 SER H H 521 8.569 8.569 8.329 0.240 18053 1754 1 3 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.670 -0.668 18053 1755 1 3 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.665 -0.421 18053 1756 1 3 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.414 -0.483 18053 1757 1 3 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.731 -0.059 18053 1758 1 3 . 1 1 93 93 PRO C C 523 177.786 177.786 178.537 -0.751 18053 1759 1 3 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.407 -0.404 18053 1760 1 3 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.443 2.462 18053 1761 1 3 . 1 1 94 94 SER N N 524 117.212 117.212 116.665 0.547 18053 1762 1 3 . 1 1 94 94 SER HA H 524 4.678 4.678 4.610 0.068 18053 1763 1 3 . 1 1 94 94 SER C C 524 174.851 174.851 174.658 0.193 18053 1764 1 3 . 1 1 94 94 SER CA C 524 61.874 61.874 61.248 0.626 18053 1765 1 3 . 1 1 94 94 SER CB C 524 64.057 64.057 63.435 0.622 18053 1766 1 3 . 1 1 94 94 SER H H 524 8.463 8.463 8.396 0.067 18053 1767 1 3 . 1 1 95 95 THR N N 525 121.588 121.588 118.587 3.001 18053 1768 1 3 . 1 1 95 95 THR HA H 525 4.859 4.859 5.003 -0.144 18053 1769 1 3 . 1 1 95 95 THR C C 525 172.094 172.094 173.086 -0.992 18053 1770 1 3 . 1 1 95 95 THR CA C 525 62.309 62.309 61.757 0.552 18053 1771 1 3 . 1 1 95 95 THR CB C 525 70.281 70.281 69.741 0.540 18053 1772 1 3 . 1 1 95 95 THR H H 525 7.631 7.631 7.946 -0.315 18053 1773 1 3 . 1 1 96 96 LEU N N 526 127.274 127.274 128.771 -1.497 18053 1774 1 3 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.045 0.086 18053 1775 1 3 . 1 1 96 96 LEU C C 526 175.916 175.916 175.387 0.529 18053 1776 1 3 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.906 -1.831 18053 1777 1 3 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.028 -0.238 18053 1778 1 3 . 1 1 96 96 LEU H H 526 8.977 8.977 8.587 0.390 18053 1779 1 3 . 1 1 97 97 VAL N N 527 124.056 124.056 119.894 4.162 18053 1780 1 3 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.578 0.291 18053 1781 1 3 . 1 1 97 97 VAL C C 527 176.230 176.230 175.317 0.913 18053 1782 1 3 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.722 0.797 18053 1783 1 3 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.478 0.226 18053 1784 1 3 . 1 1 97 97 VAL H H 527 10.724 10.724 7.981 2.743 18053 1785 1 3 . 1 1 98 98 TRP N N 528 132.586 132.586 131.307 1.279 18053 1786 1 3 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.217 0.748 18053 1787 1 3 . 1 1 98 98 TRP C C 528 173.391 173.391 174.406 -1.015 18053 1788 1 3 . 1 1 98 98 TRP CA C 528 53.303 53.303 54.563 -1.260 18053 1789 1 3 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.036 0.209 18053 1790 1 3 . 1 1 98 98 TRP H H 528 9.400 9.400 8.271 1.129 18053 1791 1 3 . 1 1 99 99 LYS N N 529 126.644 126.644 127.743 -1.099 18053 1792 1 3 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.034 -0.195 18053 1793 1 3 . 1 1 99 99 LYS C C 529 177.581 177.581 177.114 0.467 18053 1794 1 3 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.577 0.966 18053 1795 1 3 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.783 -0.607 18053 1796 1 3 . 1 1 99 99 LYS H H 529 8.153 8.153 7.944 0.209 18053 1797 1 3 . 1 1 100 100 GLY N N 530 110.385 110.385 113.405 -3.020 18053 1798 1 3 . 1 1 100 100 GLY C C 530 172.367 172.367 174.347 -1.980 18053 1799 1 3 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.788 0.490 18053 1800 1 3 . 1 1 100 100 GLY H H 530 8.363 8.363 8.504 -0.141 18053 1801 1 3 . 1 1 101 101 GLN N N 531 121.162 121.162 122.950 -1.788 18053 1802 1 3 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.385 -0.413 18053 1803 1 3 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.372 -0.752 18053 1804 1 3 . 1 1 101 101 GLN CB C 531 27.595 27.595 27.241 0.353 18053 1805 1 3 . 1 1 101 101 GLN H H 531 6.815 6.815 7.239 -0.424 18053 1806 1 3 . 1 1 102 102 SER N N 532 122.728 122.728 120.380 2.348 18053 1807 1 3 . 1 1 102 102 SER HA H 532 3.866 3.866 4.246 -0.380 18053 1808 1 3 . 1 1 102 102 SER C C 532 174.537 174.537 176.156 -1.619 18053 1809 1 3 . 1 1 102 102 SER CA C 532 61.983 61.983 61.449 0.534 18053 1810 1 3 . 1 1 102 102 SER CB C 532 62.802 62.802 63.041 -0.239 18053 1811 1 3 . 1 1 102 102 SER H H 532 8.662 8.662 8.327 0.335 18053 1812 1 3 . 1 1 103 103 SER N N 533 110.811 110.811 117.432 -6.621 18053 1813 1 3 . 1 1 103 103 SER HA H 533 4.240 4.240 4.328 -0.088 18053 1814 1 3 . 1 1 103 103 SER C C 533 174.087 174.087 175.072 -0.985 18053 1815 1 3 . 1 1 103 103 SER CA C 533 56.633 56.633 59.788 -3.155 18053 1816 1 3 . 1 1 103 103 SER CB C 533 64.658 64.658 63.776 0.882 18053 1817 1 3 . 1 1 103 103 SER H H 533 7.134 7.134 7.874 -0.740 18053 1818 1 3 . 1 1 104 104 TRP N N 534 126.133 126.133 122.362 3.771 18053 1819 1 3 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.142 -0.044 18053 1820 1 3 . 1 1 104 104 TRP C C 534 176.066 176.066 175.952 0.114 18053 1821 1 3 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.578 2.549 18053 1822 1 3 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.558 0.206 18053 1823 1 3 . 1 1 104 104 TRP H H 534 9.764 9.764 7.831 1.933 18053 1824 1 3 . 1 1 105 105 GLY N N 535 105.907 105.907 106.574 -0.667 18053 1825 1 3 . 1 1 105 105 GLY C C 535 172.217 172.217 174.184 -1.967 18053 1826 1 3 . 1 1 105 105 GLY CA C 535 44.240 44.240 45.302 -1.062 18053 1827 1 3 . 1 1 105 105 GLY H H 535 8.095 8.095 7.886 0.209 18053 1828 1 3 . 1 1 106 106 THR N N 536 111.253 111.253 113.029 -1.776 18053 1829 1 3 . 1 1 106 106 THR HA H 536 3.859 3.859 4.363 -0.504 18053 1830 1 3 . 1 1 106 106 THR C C 536 172.872 172.872 174.850 -1.978 18053 1831 1 3 . 1 1 106 106 THR CA C 536 59.635 59.635 61.629 -1.994 18053 1832 1 3 . 1 1 106 106 THR CB C 536 70.526 70.526 69.284 1.242 18053 1833 1 3 . 1 1 106 106 THR H H 536 7.913 7.913 7.582 0.331 18053 1834 1 3 . 1 1 107 107 GLY N N 537 107.712 107.712 114.282 -6.570 18053 1835 1 3 . 1 1 107 107 GLY C C 537 172.709 172.709 174.071 -1.362 18053 1836 1 3 . 1 1 107 107 GLY CA C 537 45.166 45.166 43.806 1.360 18053 1837 1 3 . 1 1 107 107 GLY H H 537 7.533 7.533 8.251 -0.718 18053 1838 1 3 . 1 1 108 108 GLU N N 538 118.864 118.864 117.167 1.697 18053 1839 1 3 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.163 -0.027 18053 1840 1 3 . 1 1 108 108 GLU C C 538 176.353 176.353 175.360 0.993 18053 1841 1 3 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.286 1.066 18053 1842 1 3 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.185 -0.029 18053 1843 1 3 . 1 1 108 108 GLU H H 538 8.558 8.558 8.583 -0.025 18053 1844 1 3 . 1 1 109 109 SER N N 539 110.419 110.419 114.014 -3.595 18053 1845 1 3 . 1 1 109 109 SER HA H 539 4.963 4.963 4.906 0.057 18053 1846 1 3 . 1 1 109 109 SER C C 539 173.787 173.787 172.557 1.230 18053 1847 1 3 . 1 1 109 109 SER CA C 539 57.125 57.125 57.532 -0.407 18053 1848 1 3 . 1 1 109 109 SER CB C 539 64.439 64.439 65.648 -1.210 18053 1849 1 3 . 1 1 109 109 SER H H 539 7.620 7.620 7.584 0.036 18053 1850 1 3 . 1 1 110 110 PHE N N 540 118.778 118.778 119.056 -0.278 18053 1851 1 3 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.135 -0.054 18053 1852 1 3 . 1 1 110 110 PHE C C 540 176.052 176.052 172.902 3.150 18053 1853 1 3 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.988 -0.199 18053 1854 1 3 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.013 -0.253 18053 1855 1 3 . 1 1 110 110 PHE H H 540 8.318 8.318 8.748 -0.430 18053 1856 1 3 . 1 1 112 112 THR HA H 542 5.468 5.468 4.921 0.547 18053 1857 1 3 . 1 1 112 112 THR C C 542 172.381 172.381 172.865 -0.484 18053 1858 1 3 . 1 1 112 112 THR CA C 542 61.818 61.818 62.043 -0.225 18053 1859 1 3 . 1 1 112 112 THR CB C 542 70.990 70.990 70.813 0.177 18053 1860 1 3 . 1 1 113 113 VAL N N 543 124.771 124.771 127.270 -2.499 18053 1861 1 3 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.590 0.274 18053 1862 1 3 . 1 1 113 113 VAL C C 543 173.132 173.132 174.035 -0.903 18053 1863 1 3 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.924 -0.825 18053 1864 1 3 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.302 2.131 18053 1865 1 3 . 1 1 113 113 VAL H H 543 9.380 9.380 8.812 0.568 18053 1866 1 3 . 1 1 114 114 LEU N N 544 128.789 128.789 127.222 1.567 18053 1867 1 3 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.133 0.187 18053 1868 1 3 . 1 1 114 114 LEU C C 544 174.237 174.237 175.181 -0.944 18053 1869 1 3 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.641 -0.447 18053 1870 1 3 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.886 0.993 18053 1871 1 3 . 1 1 114 114 LEU H H 544 8.948 8.948 8.545 0.403 18053 1872 1 3 . 1 1 115 115 VAL N N 545 127.002 127.002 126.080 0.922 18053 1873 1 3 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.744 0.111 18053 1874 1 3 . 1 1 115 115 VAL C C 545 175.206 175.206 174.730 0.476 18053 1875 1 3 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.364 -1.030 18053 1876 1 3 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.505 -0.010 18053 1877 1 3 . 1 1 115 115 VAL H H 545 9.564 9.564 8.963 0.601 18053 1878 1 3 . 1 1 116 116 ASN N N 546 121.179 121.179 120.994 0.185 18053 1879 1 3 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.809 -0.912 18053 1880 1 3 . 1 1 116 116 ASN C C 546 176.885 176.885 175.325 1.560 18053 1881 1 3 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.215 -0.806 18053 1882 1 3 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.586 -2.947 18053 1883 1 3 . 1 1 116 116 ASN H H 546 8.016 8.016 7.953 0.063 18053 1884 1 3 . 1 1 117 117 ALA N N 547 119.834 119.834 121.772 -1.938 18053 1885 1 3 . 1 1 117 117 ALA HA H 547 3.866 3.866 3.934 -0.068 18053 1886 1 3 . 1 1 117 117 ALA C C 547 177.772 177.772 178.202 -0.430 18053 1887 1 3 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.440 0.064 18053 1888 1 3 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.440 -0.240 18053 1889 1 3 . 1 1 117 117 ALA H H 547 6.444 6.444 8.024 -1.580 18053 1890 1 3 . 1 1 118 118 ASP N N 548 115.646 115.646 117.412 -1.766 18053 1891 1 3 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.358 0.286 18053 1892 1 3 . 1 1 118 118 ASP C C 548 176.052 176.052 177.442 -1.390 18053 1893 1 3 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.546 -1.479 18053 1894 1 3 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.292 0.382 18053 1895 1 3 . 1 1 118 118 ASP H H 548 7.181 7.181 8.035 -0.854 18053 1896 1 3 . 1 1 119 119 GLY N N 549 107.167 107.167 106.723 0.444 18053 1897 1 3 . 1 1 119 119 GLY C C 549 173.841 173.841 173.846 -0.005 18053 1898 1 3 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.561 0.894 18053 1899 1 3 . 1 1 119 119 GLY H H 549 7.738 7.738 7.566 0.172 18053 1900 1 3 . 1 1 120 120 GLU N N 550 121.196 121.196 119.916 1.280 18053 1901 1 3 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.387 -0.275 18053 1902 1 3 . 1 1 120 120 GLU C C 550 175.588 175.588 175.462 0.126 18053 1903 1 3 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.030 -0.199 18053 1904 1 3 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.684 -0.747 18053 1905 1 3 . 1 1 120 120 GLU H H 550 7.587 7.587 7.617 -0.030 18053 1906 1 3 . 1 1 121 121 GLU N N 551 123.886 123.886 123.247 0.639 18053 1907 1 3 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.328 -0.052 18053 1908 1 3 . 1 1 121 121 GLU C C 551 176.817 176.817 176.627 0.190 18053 1909 1 3 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.621 0.175 18053 1910 1 3 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.916 0.038 18053 1911 1 3 . 1 1 121 121 GLU H H 551 8.697 8.697 8.731 -0.034 18053 1912 1 3 . 1 1 122 122 VAL N N 552 120.055 120.055 119.289 0.766 18053 1913 1 3 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.059 0.305 18053 1914 1 3 . 1 1 122 122 VAL C C 552 175.998 175.998 175.619 0.379 18053 1915 1 3 . 1 1 122 122 VAL CA C 552 61.655 61.655 63.119 -1.464 18053 1916 1 3 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.563 0.486 18053 1917 1 3 . 1 1 122 122 VAL H H 552 8.845 8.845 8.146 0.699 18053 1918 1 3 . 1 1 123 123 ALA N N 553 122.098 122.098 121.614 0.484 18053 1919 1 3 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.761 0.129 18053 1920 1 3 . 1 1 123 123 ALA C C 553 175.261 175.261 175.148 0.113 18053 1921 1 3 . 1 1 123 123 ALA CA C 553 52.757 52.757 50.937 1.820 18053 1922 1 3 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.156 0.111 18053 1923 1 3 . 1 1 123 123 ALA H H 553 7.788 7.788 7.707 0.081 18053 1924 1 3 . 1 1 124 124 MET N N 554 118.217 118.217 120.646 -2.429 18053 1925 1 3 . 1 1 124 124 MET HA H 554 5.286 5.286 5.250 0.036 18053 1926 1 3 . 1 1 124 124 MET C C 554 174.428 174.428 173.930 0.498 18053 1927 1 3 . 1 1 124 124 MET CA C 554 55.104 55.104 55.147 -0.043 18053 1928 1 3 . 1 1 124 124 MET CB C 554 35.342 35.342 36.731 -1.389 18053 1929 1 3 . 1 1 124 124 MET H H 554 8.693 8.693 8.463 0.230 18053 1930 1 3 . 1 1 125 125 ARG N N 555 122.132 122.132 123.194 -1.062 18053 1931 1 3 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.972 -0.072 18053 1932 1 3 . 1 1 125 125 ARG CA C 555 56.388 56.388 53.684 2.704 18053 1933 1 3 . 1 1 125 125 ARG CB C 555 34.378 34.378 34.519 -0.141 18053 1934 1 3 . 1 1 125 125 ARG H H 555 8.919 8.919 9.116 -0.197 18053 1935 1 3 . 1 1 126 126 THR HA H 556 4.685 4.685 4.894 -0.209 18053 1936 1 3 . 1 1 126 126 THR C C 556 172.436 172.436 173.551 -1.115 18053 1937 1 3 . 1 1 126 126 THR CA C 556 61.382 61.382 61.714 -0.332 18053 1938 1 3 . 1 1 126 126 THR CB C 556 70.444 70.444 70.454 -0.010 18053 1939 1 3 . 1 1 127 127 VAL N N 557 124.976 124.976 126.997 -2.021 18053 1940 1 3 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.143 0.003 18053 1941 1 3 . 1 1 127 127 VAL C C 557 173.937 173.937 173.616 0.321 18053 1942 1 3 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.942 0.167 18053 1943 1 3 . 1 1 127 127 VAL CB C 557 33.759 33.759 34.418 -0.659 18053 1944 1 3 . 1 1 127 127 VAL H H 557 8.127 8.127 8.745 -0.618 18053 1945 1 3 . 1 1 128 128 LYS N N 558 125.384 125.384 125.736 -0.352 18053 1946 1 3 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.421 0.285 18053 1947 1 3 . 1 1 128 128 LYS C C 558 175.534 175.534 175.638 -0.104 18053 1948 1 3 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.100 0.786 18053 1949 1 3 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.748 0.925 18053 1950 1 3 . 1 1 128 128 LYS H H 558 8.289 8.289 8.332 -0.043 18053 1951 1 3 . 1 1 129 129 LYS N N 559 124.005 124.005 126.180 -2.175 18053 1952 1 3 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.128 0.182 18053 1953 1 3 . 1 1 129 129 LYS C C 559 176.571 176.571 176.142 0.429 18053 1954 1 3 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.274 -0.532 18053 1955 1 3 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.654 1.708 18053 1956 1 3 . 1 1 129 129 LYS H H 559 8.461 8.461 8.515 -0.054 18053 1957 1 3 . 1 1 130 130 SER N N 560 117.195 117.195 122.329 -5.134 18053 1958 1 3 . 1 1 130 130 SER HA H 560 4.384 4.384 4.540 -0.156 18053 1959 1 3 . 1 1 130 130 SER C C 560 174.565 174.565 174.000 0.565 18053 1960 1 3 . 1 1 130 130 SER CA C 560 58.434 58.434 59.053 -0.619 18053 1961 1 3 . 1 1 130 130 SER CB C 560 63.812 63.812 64.306 -0.494 18053 1962 1 3 . 1 1 130 130 SER H H 560 8.465 8.465 8.252 0.213 18053 1963 1 3 . 1 1 131 131 SER N N 561 118.149 118.149 116.190 1.959 18053 1964 1 3 . 1 1 131 131 SER HA H 561 4.412 4.412 4.357 0.055 18053 1965 1 3 . 1 1 131 131 SER C C 561 174.456 174.456 174.196 0.260 18053 1966 1 3 . 1 1 131 131 SER CA C 561 58.489 58.489 58.466 0.023 18053 1967 1 3 . 1 1 131 131 SER CB C 561 63.811 63.811 63.658 0.152 18053 1968 1 3 . 1 1 131 131 SER H H 561 8.336 8.336 8.357 -0.021 18053 1969 1 3 . 1 1 132 132 VAL N N 562 121.332 121.332 122.440 -1.108 18053 1970 1 3 . 1 1 132 132 VAL HA H 562 4.035 4.035 3.953 0.082 18053 1971 1 3 . 1 1 132 132 VAL C C 562 176.066 176.066 175.482 0.584 18053 1972 1 3 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.439 -0.993 18053 1973 1 3 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.056 0.338 18053 1974 1 3 . 1 1 132 132 VAL H H 562 7.982 7.982 8.289 -0.307 18053 1975 1 3 . 1 1 133 133 MET N N 563 124.022 124.022 118.395 5.627 18053 1976 1 3 . 1 1 133 133 MET HA H 563 4.385 4.385 4.689 -0.304 18053 1977 1 3 . 1 1 133 133 MET C C 563 176.039 176.039 176.012 0.027 18053 1978 1 3 . 1 1 133 133 MET CA C 563 55.350 55.350 54.698 0.652 18053 1979 1 3 . 1 1 133 133 MET CB C 563 32.503 32.503 33.681 -1.178 18053 1980 1 3 . 1 1 133 133 MET H H 563 8.295 8.295 7.623 0.672 18053 1981 1 3 . 1 1 134 134 ARG N N 564 122.677 122.677 121.671 1.006 18053 1982 1 3 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.434 -0.172 18053 1983 1 3 . 1 1 134 134 ARG C C 564 176.298 176.298 175.836 0.462 18053 1984 1 3 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.511 0.576 18053 1985 1 3 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.927 -0.225 18053 1986 1 3 . 1 1 134 134 ARG H H 564 8.295 8.295 8.367 -0.072 18053 1987 1 3 . 1 1 135 135 GLU N N 565 121.945 121.945 120.130 1.815 18053 1988 1 3 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.131 0.029 18053 1989 1 3 . 1 1 135 135 GLU C C 565 176.080 176.080 175.253 0.827 18053 1990 1 3 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.506 0.400 18053 1991 1 3 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.795 -0.021 18053 1992 1 3 . 1 1 135 135 GLU H H 565 8.470 8.470 8.508 -0.038 18053 1993 1 3 . 1 1 136 136 ASN N N 566 118.761 118.761 121.545 -2.784 18053 1994 1 3 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.897 -0.280 18053 1995 1 3 . 1 1 136 136 ASN C C 566 175.315 175.315 175.777 -0.462 18053 1996 1 3 . 1 1 136 136 ASN CA C 566 53.193 53.193 52.659 0.534 18053 1997 1 3 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.436 0.400 18053 1998 1 3 . 1 1 136 136 ASN H H 566 8.341 8.341 8.501 -0.160 18053 1999 1 3 . 1 1 137 137 GLU N N 567 121.349 121.349 120.905 0.444 18053 2000 1 3 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.083 0.069 18053 2001 1 3 . 1 1 137 137 GLU C C 567 176.243 176.243 176.326 -0.083 18053 2002 1 3 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.248 -1.342 18053 2003 1 3 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.888 0.104 18053 2004 1 3 . 1 1 137 137 GLU H H 567 8.349 8.349 8.432 -0.083 18053 2005 1 3 . 1 1 138 138 ASN N N 568 118.761 118.761 119.479 -0.718 18053 2006 1 3 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.864 -0.152 18053 2007 1 3 . 1 1 138 138 ASN C C 568 174.551 174.551 174.981 -0.430 18053 2008 1 3 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.141 0.053 18053 2009 1 3 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.519 0.808 18053 2010 1 3 . 1 1 138 138 ASN H H 568 8.397 8.397 8.375 0.022 18053 2011 1 4 . 1 1 20 20 ALA N N 450 125.180 125.180 125.510 -0.330 18053 2012 1 4 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.487 0.219 18053 2013 1 4 . 1 1 20 20 ALA C C 450 177.226 177.226 177.831 -0.605 18053 2014 1 4 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.993 0.764 18053 2015 1 4 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.069 2.342 18053 2016 1 4 . 1 1 20 20 ALA H H 450 8.484 8.484 8.556 -0.072 18053 2017 1 4 . 1 1 21 21 SER N N 451 115.714 115.714 119.879 -4.165 18053 2018 1 4 . 1 1 21 21 SER HA H 451 4.513 4.513 4.371 0.142 18053 2019 1 4 . 1 1 21 21 SER C C 451 174.742 174.742 175.581 -0.839 18053 2020 1 4 . 1 1 21 21 SER CA C 451 58.516 58.516 59.754 -1.238 18053 2021 1 4 . 1 1 21 21 SER CB C 451 64.159 64.159 62.302 1.857 18053 2022 1 4 . 1 1 21 21 SER H H 451 8.487 8.487 8.123 0.364 18053 2023 1 4 . 1 1 22 22 GLY N N 452 111.509 111.509 115.940 -4.431 18053 2024 1 4 . 1 1 22 22 GLY C C 452 174.401 174.401 174.599 -0.198 18053 2025 1 4 . 1 1 22 22 GLY CA C 452 45.059 45.059 47.067 -2.008 18053 2026 1 4 . 1 1 22 22 GLY H H 452 8.198 8.198 8.696 -0.498 18053 2027 1 4 . 1 1 23 23 SER N N 453 116.191 116.191 114.805 1.386 18053 2028 1 4 . 1 1 23 23 SER HA H 453 4.364 4.364 4.834 -0.470 18053 2029 1 4 . 1 1 23 23 SER C C 453 173.432 173.432 173.208 0.224 18053 2030 1 4 . 1 1 23 23 SER CA C 453 59.744 59.744 59.254 0.490 18053 2031 1 4 . 1 1 23 23 SER CB C 453 64.335 64.335 65.874 -1.539 18053 2032 1 4 . 1 1 23 23 SER H H 453 8.494 8.494 8.313 0.181 18053 2033 1 4 . 1 1 24 24 VAL N N 454 121.656 121.656 121.558 0.098 18053 2034 1 4 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.306 0.729 18053 2035 1 4 . 1 1 24 24 VAL C C 454 174.606 174.606 175.357 -0.751 18053 2036 1 4 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.669 -0.614 18053 2037 1 4 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.276 -0.773 18053 2038 1 4 . 1 1 24 24 VAL H H 454 7.830 7.830 8.002 -0.172 18053 2039 1 4 . 1 1 25 25 SER N N 455 119.323 119.323 116.475 2.848 18053 2040 1 4 . 1 1 25 25 SER HA H 455 4.672 4.672 4.852 -0.180 18053 2041 1 4 . 1 1 25 25 SER C C 455 174.426 174.426 173.116 1.310 18053 2042 1 4 . 1 1 25 25 SER CA C 455 55.268 55.268 56.065 -0.797 18053 2043 1 4 . 1 1 25 25 SER CB C 455 65.162 65.162 65.910 -0.748 18053 2044 1 4 . 1 1 25 25 SER H H 455 9.065 9.065 8.478 0.587 18053 2045 1 4 . 1 1 26 26 ILE N N 456 119.468 119.468 123.881 -4.413 18053 2046 1 4 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.432 -0.252 18053 2047 1 4 . 1 1 26 26 ILE C C 456 175.506 175.506 176.559 -1.053 18053 2048 1 4 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.667 -0.339 18053 2049 1 4 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.776 1.186 18053 2050 1 4 . 1 1 26 26 ILE H H 456 8.295 8.295 8.751 -0.456 18053 2051 1 4 . 1 1 27 27 GLU N N 457 129.726 129.726 129.796 -0.070 18053 2052 1 4 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.218 0.010 18053 2053 1 4 . 1 1 27 27 GLU C C 457 175.179 175.179 176.279 -1.100 18053 2054 1 4 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.393 -2.961 18053 2055 1 4 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.563 -0.421 18053 2056 1 4 . 1 1 27 27 GLU H H 457 8.393 8.393 8.553 -0.160 18053 2057 1 4 . 1 1 28 28 GLU N N 458 117.076 117.076 115.881 1.195 18053 2058 1 4 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.666 -0.498 18053 2059 1 4 . 1 1 28 28 GLU C C 458 174.701 174.701 174.388 0.313 18053 2060 1 4 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.568 1.338 18053 2061 1 4 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.170 -2.322 18053 2062 1 4 . 1 1 28 28 GLU H H 458 7.489 7.489 7.858 -0.369 18053 2063 1 4 . 1 1 29 29 ILE N N 459 122.183 122.183 119.771 2.412 18053 2064 1 4 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.953 -0.189 18053 2065 1 4 . 1 1 29 29 ILE C C 459 174.169 174.169 174.589 -0.420 18053 2066 1 4 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.386 0.140 18053 2067 1 4 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.185 -0.876 18053 2068 1 4 . 1 1 29 29 ILE H H 459 8.126 8.126 8.247 -0.121 18053 2069 1 4 . 1 1 30 30 ASP N N 460 123.205 123.205 123.070 0.135 18053 2070 1 4 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.226 -0.043 18053 2071 1 4 . 1 1 30 30 ASP C C 460 178.318 178.318 177.795 0.523 18053 2072 1 4 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.624 0.306 18053 2073 1 4 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.494 0.313 18053 2074 1 4 . 1 1 30 30 ASP H H 460 6.704 6.704 7.329 -0.625 18053 2075 1 4 . 1 1 31 31 LEU N N 461 128.551 128.551 121.544 7.007 18053 2076 1 4 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.099 -0.035 18053 2077 1 4 . 1 1 31 31 LEU C C 461 177.513 177.513 177.899 -0.386 18053 2078 1 4 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.044 0.080 18053 2079 1 4 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.864 -0.627 18053 2080 1 4 . 1 1 31 31 LEU H H 461 9.012 9.012 8.291 0.721 18053 2081 1 4 . 1 1 32 32 GLU N N 462 115.101 115.101 118.378 -3.277 18053 2082 1 4 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.366 -0.083 18053 2083 1 4 . 1 1 32 32 GLU C C 462 177.062 177.062 177.753 -0.691 18053 2084 1 4 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.228 -1.469 18053 2085 1 4 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.545 -0.976 18053 2086 1 4 . 1 1 32 32 GLU H H 462 7.588 7.588 8.186 -0.598 18053 2087 1 4 . 1 1 33 33 GLY N N 463 106.299 106.299 107.095 -0.796 18053 2088 1 4 . 1 1 33 33 GLY C C 463 174.824 174.824 175.032 -0.208 18053 2089 1 4 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.453 1.353 18053 2090 1 4 . 1 1 33 33 GLY H H 463 7.372 7.372 8.063 -0.691 18053 2091 1 4 . 1 1 34 34 LYS N N 464 118.744 118.744 119.046 -0.302 18053 2092 1 4 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.213 0.349 18053 2093 1 4 . 1 1 34 34 LYS C C 464 177.076 177.076 174.853 2.223 18053 2094 1 4 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.989 1.974 18053 2095 1 4 . 1 1 34 34 LYS CB C 464 33.111 33.111 32.914 0.197 18053 2096 1 4 . 1 1 34 34 LYS H H 464 9.547 9.547 8.244 1.303 18053 2097 1 4 . 1 1 35 35 PHE N N 465 109.125 109.125 112.733 -3.608 18053 2098 1 4 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.179 0.335 18053 2099 1 4 . 1 1 35 35 PHE C C 465 174.183 174.183 172.559 1.624 18053 2100 1 4 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.108 1.524 18053 2101 1 4 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.033 -0.434 18053 2102 1 4 . 1 1 35 35 PHE H H 465 6.740 6.740 7.012 -0.272 18053 2103 1 4 . 1 1 36 36 VAL N N 466 119.579 119.579 119.493 0.086 18053 2104 1 4 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.029 -0.320 18053 2105 1 4 . 1 1 36 36 VAL C C 466 172.668 172.668 174.019 -1.351 18053 2106 1 4 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.156 1.536 18053 2107 1 4 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.697 1.518 18053 2108 1 4 . 1 1 36 36 VAL H H 466 7.628 7.628 8.332 -0.704 18053 2109 1 4 . 1 1 37 37 GLN N N 467 126.831 126.831 127.079 -0.248 18053 2110 1 4 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.874 0.575 18053 2111 1 4 . 1 1 37 37 GLN C C 467 174.797 174.797 174.734 0.063 18053 2112 1 4 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.404 -0.283 18053 2113 1 4 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.965 4.658 18053 2114 1 4 . 1 1 37 37 GLN H H 467 8.392 8.392 8.657 -0.265 18053 2115 1 4 . 1 1 38 38 LEU N N 468 123.018 123.018 129.377 -6.359 18053 2116 1 4 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.250 0.172 18053 2117 1 4 . 1 1 38 38 LEU C C 468 175.588 175.588 175.180 0.408 18053 2118 1 4 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.801 -1.099 18053 2119 1 4 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.174 0.872 18053 2120 1 4 . 1 1 38 38 LEU H H 468 9.103 9.103 8.577 0.526 18053 2121 1 4 . 1 1 39 39 LYS N N 469 118.983 118.983 123.855 -4.872 18053 2122 1 4 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.907 -0.055 18053 2123 1 4 . 1 1 39 39 LYS C C 469 173.309 173.309 175.131 -1.822 18053 2124 1 4 . 1 1 39 39 LYS CA C 469 54.994 54.994 53.827 1.167 18053 2125 1 4 . 1 1 39 39 LYS CB C 469 38.246 38.246 35.810 2.436 18053 2126 1 4 . 1 1 39 39 LYS H H 469 8.496 8.496 8.570 -0.074 18053 2127 1 4 . 1 1 40 40 ASN N N 470 121.758 121.758 125.352 -3.594 18053 2128 1 4 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.796 -0.008 18053 2129 1 4 . 1 1 40 40 ASN C C 470 174.496 174.496 175.448 -0.952 18053 2130 1 4 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.398 -1.280 18053 2131 1 4 . 1 1 40 40 ASN CB C 470 37.559 37.559 38.768 -1.209 18053 2132 1 4 . 1 1 40 40 ASN H H 470 8.283 8.283 8.725 -0.442 18053 2133 1 4 . 1 1 41 41 ASN N N 471 122.422 122.422 124.841 -2.419 18053 2134 1 4 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.699 -0.111 18053 2135 1 4 . 1 1 41 41 ASN C C 471 174.810 174.810 175.245 -0.435 18053 2136 1 4 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.971 0.014 18053 2137 1 4 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.937 0.663 18053 2138 1 4 . 1 1 41 41 ASN H H 471 8.681 8.681 8.451 0.230 18053 2139 1 4 . 1 1 42 42 SER N N 472 116.446 116.446 116.041 0.405 18053 2140 1 4 . 1 1 42 42 SER HA H 472 4.719 4.719 4.518 0.201 18053 2141 1 4 . 1 1 42 42 SER C C 472 172.804 172.804 174.609 -1.805 18053 2142 1 4 . 1 1 42 42 SER CA C 472 57.288 57.288 58.711 -1.423 18053 2143 1 4 . 1 1 42 42 SER CB C 472 66.241 66.241 64.507 1.734 18053 2144 1 4 . 1 1 42 42 SER H H 472 8.370 8.370 7.744 0.626 18053 2145 1 4 . 1 1 43 43 ASP N N 473 117.706 117.706 121.689 -3.983 18053 2146 1 4 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.472 0.002 18053 2147 1 4 . 1 1 43 43 ASP C C 473 175.343 175.343 176.170 -0.827 18053 2148 1 4 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.437 -1.916 18053 2149 1 4 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.080 -0.758 18053 2150 1 4 . 1 1 43 43 ASP H H 473 8.254 8.254 8.694 -0.440 18053 2151 1 4 . 1 1 44 44 LYS N N 474 120.209 120.209 118.489 1.720 18053 2152 1 4 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.449 0.120 18053 2153 1 4 . 1 1 44 44 LYS C C 474 175.397 175.397 174.789 0.608 18053 2154 1 4 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.807 -0.795 18053 2155 1 4 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.077 1.306 18053 2156 1 4 . 1 1 44 44 LYS H H 474 8.305 8.305 7.686 0.619 18053 2157 1 4 . 1 1 45 45 ASP N N 475 124.993 124.993 120.872 4.121 18053 2158 1 4 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.459 -0.484 18053 2159 1 4 . 1 1 45 45 ASP C C 475 174.810 174.810 175.952 -1.142 18053 2160 1 4 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.423 0.572 18053 2161 1 4 . 1 1 45 45 ASP CB C 475 40.364 40.364 41.431 -1.067 18053 2162 1 4 . 1 1 45 45 ASP H H 475 8.722 8.722 8.377 0.345 18053 2163 1 4 . 1 1 46 46 GLN N N 476 120.549 120.549 125.677 -5.128 18053 2164 1 4 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.310 0.126 18053 2165 1 4 . 1 1 46 46 GLN C C 476 174.019 174.019 175.036 -1.017 18053 2166 1 4 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.935 -1.797 18053 2167 1 4 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.086 2.380 18053 2168 1 4 . 1 1 46 46 GLN H H 476 7.878 7.878 8.156 -0.278 18053 2169 1 4 . 1 1 47 47 SER N N 477 121.537 121.537 121.784 -0.247 18053 2170 1 4 . 1 1 47 47 SER HA H 477 4.229 4.229 4.285 -0.056 18053 2171 1 4 . 1 1 47 47 SER C C 477 174.565 174.565 174.215 0.350 18053 2172 1 4 . 1 1 47 47 SER CA C 477 58.706 58.706 58.419 0.287 18053 2173 1 4 . 1 1 47 47 SER CB C 477 62.965 62.965 62.665 0.300 18053 2174 1 4 . 1 1 47 47 SER H H 477 8.748 8.748 8.585 0.163 18053 2175 1 4 . 1 1 48 48 LEU N N 478 127.751 127.751 125.567 2.184 18053 2176 1 4 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.287 -1.656 18053 2177 1 4 . 1 1 48 48 LEU C C 478 176.789 176.789 177.081 -0.292 18053 2178 1 4 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.648 -2.546 18053 2179 1 4 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.209 -0.866 18053 2180 1 4 . 1 1 48 48 LEU H H 478 7.856 7.856 7.729 0.127 18053 2181 1 4 . 1 1 49 49 GLY N N 479 107.525 107.525 106.987 0.538 18053 2182 1 4 . 1 1 49 49 GLY C C 479 176.653 176.653 175.553 1.100 18053 2183 1 4 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.873 2.189 18053 2184 1 4 . 1 1 49 49 GLY H H 479 7.728 7.728 8.767 -1.039 18053 2185 1 4 . 1 1 50 50 ASN N N 480 117.059 117.059 119.416 -2.357 18053 2186 1 4 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.588 -0.333 18053 2187 1 4 . 1 1 50 50 ASN C C 480 174.961 174.961 174.934 0.027 18053 2188 1 4 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.599 1.761 18053 2189 1 4 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.849 -1.433 18053 2190 1 4 . 1 1 50 50 ASN H H 480 7.552 7.552 8.757 -1.205 18053 2191 1 4 . 1 1 51 51 TRP N N 481 122.166 122.166 119.131 3.035 18053 2192 1 4 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.799 -0.322 18053 2193 1 4 . 1 1 51 51 TRP C C 481 175.575 175.575 175.763 -0.188 18053 2194 1 4 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.887 0.875 18053 2195 1 4 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.185 -2.144 18053 2196 1 4 . 1 1 51 51 TRP H H 481 8.914 8.914 8.131 0.783 18053 2197 1 4 . 1 1 52 52 ARG N N 482 116.480 116.480 116.479 0.001 18053 2198 1 4 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.149 0.819 18053 2199 1 4 . 1 1 52 52 ARG C C 482 175.807 175.807 174.732 1.075 18053 2200 1 4 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.154 -1.033 18053 2201 1 4 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.982 1.142 18053 2202 1 4 . 1 1 52 52 ARG H H 482 9.147 9.147 9.016 0.131 18053 2203 1 4 . 1 1 53 53 ILE N N 483 119.579 119.579 124.424 -4.845 18053 2204 1 4 . 1 1 53 53 ILE HA H 483 4.985 4.985 5.009 -0.024 18053 2205 1 4 . 1 1 53 53 ILE C C 483 175.670 175.670 176.014 -0.344 18053 2206 1 4 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.723 -0.323 18053 2207 1 4 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.166 2.061 18053 2208 1 4 . 1 1 53 53 ILE H H 483 9.000 9.000 8.747 0.253 18053 2209 1 4 . 1 1 54 54 LYS N N 484 124.737 124.737 128.094 -3.357 18053 2210 1 4 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.039 0.424 18053 2211 1 4 . 1 1 54 54 LYS C C 484 175.575 175.575 176.381 -0.806 18053 2212 1 4 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.398 -1.784 18053 2213 1 4 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.045 0.996 18053 2214 1 4 . 1 1 54 54 LYS H H 484 9.678 9.678 8.692 0.986 18053 2215 1 4 . 1 1 55 55 ARG N N 485 124.090 124.090 122.066 2.024 18053 2216 1 4 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.935 0.590 18053 2217 1 4 . 1 1 55 55 ARG C C 485 174.155 174.155 174.027 0.128 18053 2218 1 4 . 1 1 55 55 ARG CA C 485 53.903 53.903 56.178 -2.275 18053 2219 1 4 . 1 1 55 55 ARG H H 485 9.314 9.314 8.660 0.654 18053 2220 1 4 . 1 1 56 56 GLN N N 486 126.576 126.576 128.438 -1.862 18053 2221 1 4 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.829 0.013 18053 2222 1 4 . 1 1 56 56 GLN C C 486 174.991 174.991 174.776 0.215 18053 2223 1 4 . 1 1 56 56 GLN CA C 486 54.831 54.831 55.032 -0.201 18053 2224 1 4 . 1 1 56 56 GLN CB C 486 31.465 31.465 30.324 1.141 18053 2225 1 4 . 1 1 56 56 GLN H H 486 8.831 8.831 8.647 0.184 18053 2226 1 4 . 1 1 57 57 VAL N N 487 126.712 126.712 126.063 0.649 18053 2227 1 4 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.151 0.115 18053 2228 1 4 . 1 1 57 57 VAL C C 487 175.916 175.916 177.608 -1.692 18053 2229 1 4 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.355 -0.535 18053 2230 1 4 . 1 1 57 57 VAL CB C 487 32.803 32.803 31.818 0.985 18053 2231 1 4 . 1 1 57 57 VAL H H 487 8.786 8.786 8.702 0.084 18053 2232 1 4 . 1 1 58 58 LEU N N 488 127.274 127.274 125.908 1.366 18053 2233 1 4 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.125 -0.040 18053 2234 1 4 . 1 1 58 58 LEU C C 488 177.158 177.158 177.732 -0.574 18053 2235 1 4 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.466 -0.560 18053 2236 1 4 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.460 -0.086 18053 2237 1 4 . 1 1 58 58 LEU H H 488 8.316 8.316 8.333 -0.017 18053 2238 1 4 . 1 1 59 59 GLU N N 489 119.647 119.647 119.251 0.396 18053 2239 1 4 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.172 -0.060 18053 2240 1 4 . 1 1 59 59 GLU C C 489 176.230 176.230 177.361 -1.131 18053 2241 1 4 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.929 0.086 18053 2242 1 4 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.980 -1.831 18053 2243 1 4 . 1 1 59 59 GLU H H 489 8.636 8.636 8.213 0.423 18053 2244 1 4 . 1 1 60 60 GLY N N 490 108.819 108.819 107.055 1.764 18053 2245 1 4 . 1 1 60 60 GLY C C 490 173.568 173.568 173.786 -0.218 18053 2246 1 4 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.683 0.090 18053 2247 1 4 . 1 1 60 60 GLY H H 490 8.160 8.160 7.828 0.332 18053 2248 1 4 . 1 1 61 61 GLU N N 491 121.009 121.009 118.378 2.631 18053 2249 1 4 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.688 -0.365 18053 2250 1 4 . 1 1 61 61 GLU C C 491 175.725 175.725 173.768 1.957 18053 2251 1 4 . 1 1 61 61 GLU CA C 491 56.196 56.196 54.487 1.709 18053 2252 1 4 . 1 1 61 61 GLU CB C 491 30.865 30.865 32.212 -1.347 18053 2253 1 4 . 1 1 61 61 GLU H H 491 8.320 8.320 7.995 0.325 18053 2254 1 4 . 1 1 62 62 GLU N N 492 123.426 123.426 119.332 4.094 18053 2255 1 4 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.443 -0.389 18053 2256 1 4 . 1 1 62 62 GLU C C 492 175.930 175.930 176.028 -0.098 18053 2257 1 4 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.026 0.624 18053 2258 1 4 . 1 1 62 62 GLU CB C 492 32.312 32.312 32.616 -0.304 18053 2259 1 4 . 1 1 62 62 GLU H H 492 8.594 8.594 8.524 0.070 18053 2260 1 4 . 1 1 63 63 ILE N N 493 119.732 119.732 118.905 0.827 18053 2261 1 4 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.704 0.085 18053 2262 1 4 . 1 1 63 63 ILE C C 493 174.647 174.647 174.444 0.203 18053 2263 1 4 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.991 0.190 18053 2264 1 4 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.469 0.713 18053 2265 1 4 . 1 1 63 63 ILE H H 493 8.523 8.523 8.139 0.384 18053 2266 1 4 . 1 1 64 64 ALA N N 494 122.166 122.166 125.790 -3.624 18053 2267 1 4 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.888 0.633 18053 2268 1 4 . 1 1 64 64 ALA C C 494 174.606 174.606 175.930 -1.324 18053 2269 1 4 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.742 0.786 18053 2270 1 4 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.842 1.397 18053 2271 1 4 . 1 1 64 64 ALA H H 494 8.741 8.741 8.234 0.507 18053 2272 1 4 . 1 1 65 65 TYR N N 495 126.729 126.729 126.911 -0.182 18053 2273 1 4 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.593 -0.499 18053 2274 1 4 . 1 1 65 65 TYR C C 495 173.036 173.036 173.794 -0.758 18053 2275 1 4 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.245 0.660 18053 2276 1 4 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.491 1.778 18053 2277 1 4 . 1 1 65 65 TYR H H 495 8.462 8.462 8.490 -0.028 18053 2278 1 4 . 1 1 66 66 LYS N N 496 128.108 128.108 126.833 1.275 18053 2279 1 4 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.265 0.557 18053 2280 1 4 . 1 1 66 66 LYS C C 496 174.906 174.906 174.722 0.184 18053 2281 1 4 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.246 -1.507 18053 2282 1 4 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.552 1.230 18053 2283 1 4 . 1 1 66 66 LYS H H 496 7.010 7.010 7.274 -0.264 18053 2284 1 4 . 1 1 67 67 PHE N N 497 125.299 125.299 120.574 4.725 18053 2285 1 4 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.282 -0.350 18053 2286 1 4 . 1 1 67 67 PHE C C 497 177.990 177.990 175.384 2.606 18053 2287 1 4 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.320 1.687 18053 2288 1 4 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.493 0.488 18053 2289 1 4 . 1 1 67 67 PHE H H 497 8.509 8.509 8.032 0.477 18053 2290 1 4 . 1 1 68 68 THR N N 498 116.191 116.191 111.400 4.791 18053 2291 1 4 . 1 1 68 68 THR HA H 498 4.417 4.417 4.622 -0.205 18053 2292 1 4 . 1 1 68 68 THR CA C 498 60.855 60.855 59.254 1.601 18053 2293 1 4 . 1 1 68 68 THR CB C 498 68.019 68.019 69.571 -1.552 18053 2294 1 4 . 1 1 68 68 THR H H 498 8.688 8.688 8.283 0.405 18053 2295 1 4 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.779 -0.831 18053 2296 1 4 . 1 1 69 69 PRO C C 499 177.444 177.444 176.732 0.712 18053 2297 1 4 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.088 1.989 18053 2298 1 4 . 1 1 69 69 PRO CB C 499 32.776 32.776 32.011 0.765 18053 2299 1 4 . 1 1 70 70 LYS N N 500 113.552 113.552 115.694 -2.142 18053 2300 1 4 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.242 0.143 18053 2301 1 4 . 1 1 70 70 LYS C C 500 176.325 176.325 175.959 0.366 18053 2302 1 4 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.151 -1.157 18053 2303 1 4 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.192 -0.399 18053 2304 1 4 . 1 1 70 70 LYS H H 500 8.016 8.016 8.112 -0.096 18053 2305 1 4 . 1 1 71 71 TYR N N 501 121.860 121.860 122.286 -0.426 18053 2306 1 4 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.354 -0.624 18053 2307 1 4 . 1 1 71 71 TYR C C 501 174.838 174.838 174.016 0.822 18053 2308 1 4 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.306 3.004 18053 2309 1 4 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.320 -0.539 18053 2310 1 4 . 1 1 71 71 TYR H H 501 7.460 7.460 7.690 -0.230 18053 2311 1 4 . 1 1 72 72 ILE N N 502 129.487 129.487 127.332 2.155 18053 2312 1 4 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.365 -0.437 18053 2313 1 4 . 1 1 72 72 ILE C C 502 172.968 172.968 173.868 -0.900 18053 2314 1 4 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.620 -0.312 18053 2315 1 4 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.367 0.543 18053 2316 1 4 . 1 1 72 72 ILE H H 502 7.168 7.168 7.877 -0.709 18053 2317 1 4 . 1 1 73 73 LEU N N 503 128.278 128.278 128.754 -0.476 18053 2318 1 4 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.491 0.002 18053 2319 1 4 . 1 1 73 73 LEU C C 503 175.834 175.834 175.218 0.616 18053 2320 1 4 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.929 -1.964 18053 2321 1 4 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.197 -0.649 18053 2322 1 4 . 1 1 73 73 LEU H H 503 8.483 8.483 8.444 0.039 18053 2323 1 4 . 1 1 74 74 ARG N N 504 129.589 129.589 124.001 5.588 18053 2324 1 4 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.289 -0.546 18053 2325 1 4 . 1 1 74 74 ARG C C 504 175.233 175.233 176.153 -0.920 18053 2326 1 4 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.033 1.818 18053 2327 1 4 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.612 -0.320 18053 2328 1 4 . 1 1 74 74 ARG H H 504 8.673 8.673 8.450 0.223 18053 2329 1 4 . 1 1 75 75 ALA N N 505 123.205 123.205 124.428 -1.223 18053 2330 1 4 . 1 1 75 75 ALA HA H 505 3.522 3.522 3.995 -0.473 18053 2331 1 4 . 1 1 75 75 ALA C C 505 178.441 178.441 177.977 0.464 18053 2332 1 4 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.191 0.603 18053 2333 1 4 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.112 0.798 18053 2334 1 4 . 1 1 75 75 ALA H H 505 8.564 8.564 8.189 0.375 18053 2335 1 4 . 1 1 76 76 GLY N N 506 112.241 112.241 113.189 -0.948 18053 2336 1 4 . 1 1 76 76 GLY C C 506 174.278 174.278 174.718 -0.440 18053 2337 1 4 . 1 1 76 76 GLY CA C 506 46.725 46.725 44.941 1.784 18053 2338 1 4 . 1 1 76 76 GLY H H 506 7.381 7.381 8.535 -1.154 18053 2339 1 4 . 1 1 77 77 GLN N N 507 117.382 117.382 119.882 -2.500 18053 2340 1 4 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.477 -0.113 18053 2341 1 4 . 1 1 77 77 GLN C C 507 173.937 173.937 174.834 -0.897 18053 2342 1 4 . 1 1 77 77 GLN CA C 507 54.558 54.558 55.389 -0.831 18053 2343 1 4 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.925 0.147 18053 2344 1 4 . 1 1 77 77 GLN H H 507 7.996 7.996 7.636 0.360 18053 2345 1 4 . 1 1 78 78 MET N N 508 116.957 116.957 114.694 2.263 18053 2346 1 4 . 1 1 78 78 MET HA H 508 5.388 5.388 5.271 0.117 18053 2347 1 4 . 1 1 78 78 MET C C 508 175.807 175.807 174.497 1.310 18053 2348 1 4 . 1 1 78 78 MET CA C 508 54.067 54.067 54.458 -0.391 18053 2349 1 4 . 1 1 78 78 MET CB C 508 37.198 37.198 35.925 1.273 18053 2350 1 4 . 1 1 78 78 MET H H 508 8.092 8.092 8.252 -0.161 18053 2351 1 4 . 1 1 79 79 VAL N N 509 119.340 119.340 124.484 -5.144 18053 2352 1 4 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.587 0.369 18053 2353 1 4 . 1 1 79 79 VAL C C 509 172.217 172.217 175.034 -2.817 18053 2354 1 4 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.709 -1.238 18053 2355 1 4 . 1 1 79 79 VAL CB C 509 33.676 33.676 33.522 0.154 18053 2356 1 4 . 1 1 79 79 VAL H H 509 8.534 8.534 8.841 -0.307 18053 2357 1 4 . 1 1 80 80 THR N N 510 124.533 124.533 126.690 -2.157 18053 2358 1 4 . 1 1 80 80 THR HA H 510 4.586 4.586 4.697 -0.111 18053 2359 1 4 . 1 1 80 80 THR C C 510 172.215 172.215 174.440 -2.225 18053 2360 1 4 . 1 1 80 80 THR CA C 510 62.119 62.119 62.479 -0.360 18053 2361 1 4 . 1 1 80 80 THR CB C 510 69.407 69.407 67.982 1.425 18053 2362 1 4 . 1 1 80 80 THR H H 510 8.301 8.301 8.688 -0.387 18053 2363 1 4 . 1 1 81 81 VAL N N 511 127.002 127.002 128.181 -1.179 18053 2364 1 4 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.318 0.278 18053 2365 1 4 . 1 1 81 81 VAL C C 511 176.667 176.667 175.761 0.906 18053 2366 1 4 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.229 -0.847 18053 2367 1 4 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.217 -0.272 18053 2368 1 4 . 1 1 81 81 VAL H H 511 8.796 8.796 8.860 -0.064 18053 2369 1 4 . 1 1 82 82 TRP N N 512 131.479 131.479 129.684 1.795 18053 2370 1 4 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.213 0.125 18053 2371 1 4 . 1 1 82 82 TRP C C 512 176.885 176.885 175.498 1.387 18053 2372 1 4 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.239 -0.797 18053 2373 1 4 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.289 -0.588 18053 2374 1 4 . 1 1 82 82 TRP H H 512 9.924 9.924 9.337 0.587 18053 2375 1 4 . 1 1 83 83 ALA N N 513 123.954 123.954 120.870 3.084 18053 2376 1 4 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.950 -0.642 18053 2377 1 4 . 1 1 83 83 ALA C C 513 178.140 178.140 178.276 -0.136 18053 2378 1 4 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.441 1.770 18053 2379 1 4 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.691 -1.946 18053 2380 1 4 . 1 1 83 83 ALA H H 513 9.048 9.048 8.721 0.327 18053 2381 1 4 . 1 1 84 84 ALA N N 514 125.146 125.146 127.540 -2.394 18053 2382 1 4 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.052 -0.101 18053 2383 1 4 . 1 1 84 84 ALA C C 514 179.519 179.519 179.243 0.276 18053 2384 1 4 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.973 -0.169 18053 2385 1 4 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.929 -0.347 18053 2386 1 4 . 1 1 84 84 ALA H H 514 8.341 8.341 8.450 -0.109 18053 2387 1 4 . 1 1 85 85 GLY N N 515 103.388 103.388 104.379 -0.991 18053 2388 1 4 . 1 1 85 85 GLY C C 515 174.674 174.674 174.785 -0.111 18053 2389 1 4 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.938 0.940 18053 2390 1 4 . 1 1 85 85 GLY H H 515 7.996 7.996 7.909 0.087 18053 2391 1 4 . 1 1 86 86 ALA N N 516 120.140 120.140 123.311 -3.171 18053 2392 1 4 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.339 0.005 18053 2393 1 4 . 1 1 86 86 ALA C C 516 177.690 177.690 177.693 -0.003 18053 2394 1 4 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.148 0.991 18053 2395 1 4 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.595 0.952 18053 2396 1 4 . 1 1 86 86 ALA H H 516 7.474 7.474 7.333 0.141 18053 2397 1 4 . 1 1 87 87 GLY N N 517 105.720 105.720 107.912 -2.192 18053 2398 1 4 . 1 1 87 87 GLY C C 517 173.650 173.650 174.411 -0.761 18053 2399 1 4 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.617 0.397 18053 2400 1 4 . 1 1 87 87 GLY H H 517 7.779 7.779 7.745 0.034 18053 2401 1 4 . 1 1 88 88 VAL N N 518 121.537 121.537 119.571 1.966 18053 2402 1 4 . 1 1 88 88 VAL HA H 518 3.585 3.585 3.974 -0.389 18053 2403 1 4 . 1 1 88 88 VAL C C 518 174.851 174.851 175.358 -0.507 18053 2404 1 4 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.508 -0.234 18053 2405 1 4 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.533 0.843 18053 2406 1 4 . 1 1 88 88 VAL H H 518 7.499 7.499 7.527 -0.028 18053 2407 1 4 . 1 1 89 89 ALA N N 519 128.295 128.295 130.623 -2.328 18053 2408 1 4 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.334 -0.142 18053 2409 1 4 . 1 1 89 89 ALA C C 519 176.680 176.680 176.656 0.024 18053 2410 1 4 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.644 -0.360 18053 2411 1 4 . 1 1 89 89 ALA CB C 519 19.292 19.292 18.935 0.357 18053 2412 1 4 . 1 1 89 89 ALA H H 519 7.960 7.960 8.128 -0.168 18053 2413 1 4 . 1 1 90 90 HIS N N 520 122.643 122.643 125.169 -2.526 18053 2414 1 4 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.427 -0.394 18053 2415 1 4 . 1 1 90 90 HIS C C 520 175.793 175.793 174.665 1.128 18053 2416 1 4 . 1 1 90 90 HIS CA C 520 58.653 58.653 55.868 2.784 18053 2417 1 4 . 1 1 90 90 HIS CB C 520 32.285 32.285 30.141 2.144 18053 2418 1 4 . 1 1 90 90 HIS H H 520 8.394 8.394 8.900 -0.506 18053 2419 1 4 . 1 1 91 91 SER N N 521 121.247 121.247 123.981 -2.734 18053 2420 1 4 . 1 1 91 91 SER HA H 521 4.629 4.629 4.796 -0.167 18053 2421 1 4 . 1 1 91 91 SER CA C 521 55.843 55.843 56.157 -0.314 18053 2422 1 4 . 1 1 91 91 SER CB C 521 62.367 62.367 63.496 -1.129 18053 2423 1 4 . 1 1 91 91 SER H H 521 8.569 8.569 8.720 -0.151 18053 2424 1 4 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.766 -0.764 18053 2425 1 4 . 1 1 92 92 PRO CA C 522 62.244 62.244 61.965 0.279 18053 2426 1 4 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.894 -0.963 18053 2427 1 4 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.774 -0.102 18053 2428 1 4 . 1 1 93 93 PRO C C 523 177.786 177.786 178.389 -0.603 18053 2429 1 4 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.456 -0.453 18053 2430 1 4 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.485 2.420 18053 2431 1 4 . 1 1 94 94 SER N N 524 117.212 117.212 115.990 1.222 18053 2432 1 4 . 1 1 94 94 SER HA H 524 4.678 4.678 4.707 -0.029 18053 2433 1 4 . 1 1 94 94 SER C C 524 174.851 174.851 174.707 0.144 18053 2434 1 4 . 1 1 94 94 SER CA C 524 61.874 61.874 61.282 0.591 18053 2435 1 4 . 1 1 94 94 SER CB C 524 64.057 64.057 63.620 0.437 18053 2436 1 4 . 1 1 94 94 SER H H 524 8.463 8.463 8.576 -0.113 18053 2437 1 4 . 1 1 95 95 THR N N 525 121.588 121.588 118.793 2.795 18053 2438 1 4 . 1 1 95 95 THR HA H 525 4.859 4.859 4.989 -0.130 18053 2439 1 4 . 1 1 95 95 THR C C 525 172.094 172.094 172.735 -0.641 18053 2440 1 4 . 1 1 95 95 THR CA C 525 62.309 62.309 62.184 0.125 18053 2441 1 4 . 1 1 95 95 THR CB C 525 70.281 70.281 69.123 1.158 18053 2442 1 4 . 1 1 95 95 THR H H 525 7.631 7.631 8.020 -0.389 18053 2443 1 4 . 1 1 96 96 LEU N N 526 127.274 127.274 128.212 -0.938 18053 2444 1 4 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.183 -0.052 18053 2445 1 4 . 1 1 96 96 LEU C C 526 175.916 175.916 174.811 1.105 18053 2446 1 4 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.897 -1.822 18053 2447 1 4 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.977 -1.187 18053 2448 1 4 . 1 1 96 96 LEU H H 526 8.977 8.977 8.327 0.650 18053 2449 1 4 . 1 1 97 97 VAL N N 527 124.056 124.056 122.969 1.087 18053 2450 1 4 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.585 0.284 18053 2451 1 4 . 1 1 97 97 VAL C C 527 176.230 176.230 174.859 1.371 18053 2452 1 4 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.654 0.865 18053 2453 1 4 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.053 -0.349 18053 2454 1 4 . 1 1 97 97 VAL H H 527 10.724 10.724 7.844 2.880 18053 2455 1 4 . 1 1 98 98 TRP N N 528 132.586 132.586 130.198 2.388 18053 2456 1 4 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.281 0.684 18053 2457 1 4 . 1 1 98 98 TRP C C 528 173.391 173.391 174.679 -1.288 18053 2458 1 4 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.163 -1.860 18053 2459 1 4 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.392 -0.147 18053 2460 1 4 . 1 1 98 98 TRP H H 528 9.400 9.400 8.912 0.488 18053 2461 1 4 . 1 1 99 99 LYS N N 529 126.644 126.644 129.330 -2.686 18053 2462 1 4 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.153 -0.314 18053 2463 1 4 . 1 1 99 99 LYS C C 529 177.581 177.581 177.331 0.250 18053 2464 1 4 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.566 0.977 18053 2465 1 4 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.926 -0.750 18053 2466 1 4 . 1 1 99 99 LYS H H 529 8.153 8.153 8.047 0.106 18053 2467 1 4 . 1 1 100 100 GLY N N 530 110.385 110.385 111.915 -1.530 18053 2468 1 4 . 1 1 100 100 GLY C C 530 172.367 172.367 173.692 -1.325 18053 2469 1 4 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.995 0.283 18053 2470 1 4 . 1 1 100 100 GLY H H 530 8.363 8.363 8.547 -0.184 18053 2471 1 4 . 1 1 101 101 GLN N N 531 121.162 121.162 121.644 -0.482 18053 2472 1 4 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.044 -0.072 18053 2473 1 4 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.618 -0.998 18053 2474 1 4 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.346 -0.751 18053 2475 1 4 . 1 1 101 101 GLN H H 531 6.815 6.815 7.215 -0.400 18053 2476 1 4 . 1 1 102 102 SER N N 532 122.728 122.728 124.266 -1.538 18053 2477 1 4 . 1 1 102 102 SER HA H 532 3.866 3.866 4.406 -0.540 18053 2478 1 4 . 1 1 102 102 SER C C 532 174.537 174.537 175.716 -1.179 18053 2479 1 4 . 1 1 102 102 SER CA C 532 61.983 61.983 61.289 0.694 18053 2480 1 4 . 1 1 102 102 SER CB C 532 62.802 62.802 63.272 -0.470 18053 2481 1 4 . 1 1 102 102 SER H H 532 8.662 8.662 8.756 -0.094 18053 2482 1 4 . 1 1 103 103 SER N N 533 110.811 110.811 113.653 -2.842 18053 2483 1 4 . 1 1 103 103 SER HA H 533 4.240 4.240 4.686 -0.446 18053 2484 1 4 . 1 1 103 103 SER C C 533 174.087 174.087 173.819 0.268 18053 2485 1 4 . 1 1 103 103 SER CA C 533 56.633 56.633 56.906 -0.273 18053 2486 1 4 . 1 1 103 103 SER CB C 533 64.658 64.658 63.953 0.705 18053 2487 1 4 . 1 1 103 103 SER H H 533 7.134 7.134 7.628 -0.494 18053 2488 1 4 . 1 1 104 104 TRP N N 534 126.133 126.133 120.923 5.210 18053 2489 1 4 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.089 0.009 18053 2490 1 4 . 1 1 104 104 TRP C C 534 176.066 176.066 175.561 0.505 18053 2491 1 4 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.271 1.856 18053 2492 1 4 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.818 -0.054 18053 2493 1 4 . 1 1 104 104 TRP H H 534 9.764 9.764 7.527 2.237 18053 2494 1 4 . 1 1 105 105 GLY N N 535 105.907 105.907 105.989 -0.082 18053 2495 1 4 . 1 1 105 105 GLY C C 535 172.217 172.217 174.785 -2.568 18053 2496 1 4 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.840 -0.600 18053 2497 1 4 . 1 1 105 105 GLY H H 535 8.095 8.095 7.863 0.232 18053 2498 1 4 . 1 1 106 106 THR N N 536 111.253 111.253 115.183 -3.930 18053 2499 1 4 . 1 1 106 106 THR HA H 536 3.859 3.859 4.425 -0.566 18053 2500 1 4 . 1 1 106 106 THR C C 536 172.872 172.872 175.092 -2.220 18053 2501 1 4 . 1 1 106 106 THR CA C 536 59.635 59.635 62.669 -3.034 18053 2502 1 4 . 1 1 106 106 THR CB C 536 70.526 70.526 70.172 0.354 18053 2503 1 4 . 1 1 106 106 THR H H 536 7.913 7.913 7.588 0.325 18053 2504 1 4 . 1 1 107 107 GLY N N 537 107.712 107.712 110.584 -2.872 18053 2505 1 4 . 1 1 107 107 GLY C C 537 172.709 172.709 173.243 -0.534 18053 2506 1 4 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.499 -0.333 18053 2507 1 4 . 1 1 107 107 GLY H H 537 7.533 7.533 8.299 -0.766 18053 2508 1 4 . 1 1 108 108 GLU N N 538 118.864 118.864 117.185 1.679 18053 2509 1 4 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.066 0.070 18053 2510 1 4 . 1 1 108 108 GLU C C 538 176.353 176.353 175.466 0.887 18053 2511 1 4 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.274 0.078 18053 2512 1 4 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.202 -0.046 18053 2513 1 4 . 1 1 108 108 GLU H H 538 8.558 8.558 8.589 -0.031 18053 2514 1 4 . 1 1 109 109 SER N N 539 110.419 110.419 113.797 -3.378 18053 2515 1 4 . 1 1 109 109 SER HA H 539 4.963 4.963 5.009 -0.046 18053 2516 1 4 . 1 1 109 109 SER C C 539 173.787 173.787 172.173 1.614 18053 2517 1 4 . 1 1 109 109 SER CA C 539 57.125 57.125 57.690 -0.565 18053 2518 1 4 . 1 1 109 109 SER CB C 539 64.439 64.439 64.962 -0.523 18053 2519 1 4 . 1 1 109 109 SER H H 539 7.620 7.620 7.573 0.047 18053 2520 1 4 . 1 1 110 110 PHE N N 540 118.778 118.778 118.895 -0.117 18053 2521 1 4 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.310 -0.229 18053 2522 1 4 . 1 1 110 110 PHE C C 540 176.052 176.052 173.436 2.616 18053 2523 1 4 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.415 0.374 18053 2524 1 4 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.237 -1.477 18053 2525 1 4 . 1 1 110 110 PHE H H 540 8.318 8.318 8.156 0.162 18053 2526 1 4 . 1 1 112 112 THR HA H 542 5.468 5.468 4.755 0.713 18053 2527 1 4 . 1 1 112 112 THR C C 542 172.381 172.381 173.365 -0.984 18053 2528 1 4 . 1 1 112 112 THR CA C 542 61.818 61.818 63.434 -1.616 18053 2529 1 4 . 1 1 112 112 THR CB C 542 70.990 70.990 69.743 1.247 18053 2530 1 4 . 1 1 113 113 VAL N N 543 124.771 124.771 127.636 -2.865 18053 2531 1 4 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.459 0.405 18053 2532 1 4 . 1 1 113 113 VAL C C 543 173.132 173.132 174.033 -0.901 18053 2533 1 4 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.083 -0.984 18053 2534 1 4 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.955 1.478 18053 2535 1 4 . 1 1 113 113 VAL H H 543 9.380 9.380 8.791 0.589 18053 2536 1 4 . 1 1 114 114 LEU N N 544 128.789 128.789 128.430 0.359 18053 2537 1 4 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.899 0.421 18053 2538 1 4 . 1 1 114 114 LEU C C 544 174.237 174.237 175.164 -0.927 18053 2539 1 4 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.869 -0.676 18053 2540 1 4 . 1 1 114 114 LEU CB C 544 45.879 45.879 43.744 2.135 18053 2541 1 4 . 1 1 114 114 LEU H H 544 8.948 8.948 8.478 0.470 18053 2542 1 4 . 1 1 115 115 VAL N N 545 127.002 127.002 126.596 0.406 18053 2543 1 4 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.670 0.184 18053 2544 1 4 . 1 1 115 115 VAL C C 545 175.206 175.206 174.748 0.458 18053 2545 1 4 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.592 -1.258 18053 2546 1 4 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.407 0.088 18053 2547 1 4 . 1 1 115 115 VAL H H 545 9.564 9.564 8.969 0.595 18053 2548 1 4 . 1 1 116 116 ASN N N 546 121.179 121.179 122.819 -1.640 18053 2549 1 4 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.788 -0.891 18053 2550 1 4 . 1 1 116 116 ASN C C 546 176.885 176.885 174.901 1.984 18053 2551 1 4 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.359 -0.950 18053 2552 1 4 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.405 -2.766 18053 2553 1 4 . 1 1 116 116 ASN H H 546 8.016 8.016 7.875 0.141 18053 2554 1 4 . 1 1 117 117 ALA N N 547 119.834 119.834 119.241 0.593 18053 2555 1 4 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.049 -0.183 18053 2556 1 4 . 1 1 117 117 ALA C C 547 177.772 177.772 179.014 -1.242 18053 2557 1 4 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.575 -0.071 18053 2558 1 4 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.391 -0.191 18053 2559 1 4 . 1 1 117 117 ALA H H 547 6.444 6.444 7.994 -1.550 18053 2560 1 4 . 1 1 118 118 ASP N N 548 115.646 115.646 117.549 -1.903 18053 2561 1 4 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.366 0.278 18053 2562 1 4 . 1 1 118 118 ASP C C 548 176.052 176.052 177.413 -1.361 18053 2563 1 4 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.659 -1.592 18053 2564 1 4 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.289 0.385 18053 2565 1 4 . 1 1 118 118 ASP H H 548 7.181 7.181 8.149 -0.968 18053 2566 1 4 . 1 1 119 119 GLY N N 549 107.167 107.167 106.575 0.592 18053 2567 1 4 . 1 1 119 119 GLY C C 549 173.841 173.841 173.568 0.273 18053 2568 1 4 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.694 0.761 18053 2569 1 4 . 1 1 119 119 GLY H H 549 7.738 7.738 7.529 0.209 18053 2570 1 4 . 1 1 120 120 GLU N N 550 121.196 121.196 119.177 2.019 18053 2571 1 4 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.349 -0.237 18053 2572 1 4 . 1 1 120 120 GLU C C 550 175.588 175.588 175.521 0.067 18053 2573 1 4 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.087 -0.256 18053 2574 1 4 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.457 -0.520 18053 2575 1 4 . 1 1 120 120 GLU H H 550 7.587 7.587 7.563 0.024 18053 2576 1 4 . 1 1 121 121 GLU N N 551 123.886 123.886 123.401 0.485 18053 2577 1 4 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.301 -0.025 18053 2578 1 4 . 1 1 121 121 GLU C C 551 176.817 176.817 176.471 0.346 18053 2579 1 4 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.901 -0.105 18053 2580 1 4 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.271 -0.316 18053 2581 1 4 . 1 1 121 121 GLU H H 551 8.697 8.697 8.728 -0.031 18053 2582 1 4 . 1 1 122 122 VAL N N 552 120.055 120.055 120.859 -0.804 18053 2583 1 4 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.089 0.275 18053 2584 1 4 . 1 1 122 122 VAL C C 552 175.998 175.998 175.309 0.689 18053 2585 1 4 . 1 1 122 122 VAL CA C 552 61.655 61.655 63.115 -1.460 18053 2586 1 4 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.743 0.306 18053 2587 1 4 . 1 1 122 122 VAL H H 552 8.845 8.845 8.062 0.783 18053 2588 1 4 . 1 1 123 123 ALA N N 553 122.098 122.098 120.219 1.879 18053 2589 1 4 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.799 0.091 18053 2590 1 4 . 1 1 123 123 ALA C C 553 175.261 175.261 175.280 -0.019 18053 2591 1 4 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.336 1.421 18053 2592 1 4 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.781 0.486 18053 2593 1 4 . 1 1 123 123 ALA H H 553 7.788 7.788 7.794 -0.006 18053 2594 1 4 . 1 1 124 124 MET N N 554 118.217 118.217 121.495 -3.278 18053 2595 1 4 . 1 1 124 124 MET HA H 554 5.286 5.286 4.837 0.449 18053 2596 1 4 . 1 1 124 124 MET C C 554 174.428 174.428 174.078 0.350 18053 2597 1 4 . 1 1 124 124 MET CA C 554 55.104 55.104 55.240 -0.136 18053 2598 1 4 . 1 1 124 124 MET CB C 554 35.342 35.342 36.297 -0.955 18053 2599 1 4 . 1 1 124 124 MET H H 554 8.693 8.693 8.526 0.167 18053 2600 1 4 . 1 1 125 125 ARG N N 555 122.132 122.132 125.561 -3.429 18053 2601 1 4 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.768 0.132 18053 2602 1 4 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.129 1.259 18053 2603 1 4 . 1 1 125 125 ARG CB C 555 34.378 34.378 34.885 -0.507 18053 2604 1 4 . 1 1 125 125 ARG H H 555 8.919 8.919 9.006 -0.087 18053 2605 1 4 . 1 1 126 126 THR HA H 556 4.685 4.685 4.596 0.089 18053 2606 1 4 . 1 1 126 126 THR C C 556 172.436 172.436 174.021 -1.585 18053 2607 1 4 . 1 1 126 126 THR CA C 556 61.382 61.382 61.689 -0.307 18053 2608 1 4 . 1 1 126 126 THR CB C 556 70.444 70.444 69.790 0.654 18053 2609 1 4 . 1 1 127 127 VAL N N 557 124.976 124.976 127.676 -2.700 18053 2610 1 4 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.069 0.077 18053 2611 1 4 . 1 1 127 127 VAL C C 557 173.937 173.937 174.402 -0.465 18053 2612 1 4 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.771 0.338 18053 2613 1 4 . 1 1 127 127 VAL CB C 557 33.759 33.759 32.874 0.885 18053 2614 1 4 . 1 1 127 127 VAL H H 557 8.127 8.127 8.844 -0.717 18053 2615 1 4 . 1 1 128 128 LYS N N 558 125.384 125.384 126.991 -1.607 18053 2616 1 4 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.474 0.232 18053 2617 1 4 . 1 1 128 128 LYS C C 558 175.534 175.534 175.674 -0.140 18053 2618 1 4 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.785 1.101 18053 2619 1 4 . 1 1 128 128 LYS CB C 558 34.673 34.673 31.625 3.048 18053 2620 1 4 . 1 1 128 128 LYS H H 558 8.289 8.289 8.358 -0.069 18053 2621 1 4 . 1 1 129 129 LYS N N 559 124.005 124.005 126.934 -2.929 18053 2622 1 4 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.263 0.047 18053 2623 1 4 . 1 1 129 129 LYS C C 559 176.571 176.571 177.636 -1.065 18053 2624 1 4 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.810 -0.068 18053 2625 1 4 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.973 0.389 18053 2626 1 4 . 1 1 129 129 LYS H H 559 8.461 8.461 7.772 0.689 18053 2627 1 4 . 1 1 130 130 SER N N 560 117.195 117.195 120.093 -2.898 18053 2628 1 4 . 1 1 130 130 SER HA H 560 4.384 4.384 4.280 0.104 18053 2629 1 4 . 1 1 130 130 SER C C 560 174.565 174.565 174.538 0.027 18053 2630 1 4 . 1 1 130 130 SER CA C 560 58.434 58.434 60.215 -1.781 18053 2631 1 4 . 1 1 130 130 SER CB C 560 63.812 63.812 63.434 0.378 18053 2632 1 4 . 1 1 130 130 SER H H 560 8.465 8.465 8.509 -0.044 18053 2633 1 4 . 1 1 131 131 SER N N 561 118.149 118.149 112.759 5.390 18053 2634 1 4 . 1 1 131 131 SER HA H 561 4.412 4.412 4.506 -0.094 18053 2635 1 4 . 1 1 131 131 SER C C 561 174.456 174.456 172.845 1.611 18053 2636 1 4 . 1 1 131 131 SER CA C 561 58.489 58.489 57.958 0.531 18053 2637 1 4 . 1 1 131 131 SER CB C 561 63.811 63.811 64.675 -0.864 18053 2638 1 4 . 1 1 131 131 SER H H 561 8.336 8.336 7.583 0.753 18053 2639 1 4 . 1 1 132 132 VAL N N 562 121.332 121.332 119.387 1.945 18053 2640 1 4 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.338 -0.303 18053 2641 1 4 . 1 1 132 132 VAL C C 562 176.066 176.066 175.707 0.359 18053 2642 1 4 . 1 1 132 132 VAL CA C 562 62.446 62.446 61.490 0.956 18053 2643 1 4 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.640 -0.246 18053 2644 1 4 . 1 1 132 132 VAL H H 562 7.982 7.982 8.250 -0.268 18053 2645 1 4 . 1 1 133 133 MET N N 563 124.022 124.022 121.934 2.088 18053 2646 1 4 . 1 1 133 133 MET HA H 563 4.385 4.385 4.382 0.003 18053 2647 1 4 . 1 1 133 133 MET C C 563 176.039 176.039 175.849 0.190 18053 2648 1 4 . 1 1 133 133 MET CA C 563 55.350 55.350 55.826 -0.476 18053 2649 1 4 . 1 1 133 133 MET CB C 563 32.503 32.503 31.053 1.450 18053 2650 1 4 . 1 1 133 133 MET H H 563 8.295 8.295 7.825 0.470 18053 2651 1 4 . 1 1 134 134 ARG N N 564 122.677 122.677 124.595 -1.918 18053 2652 1 4 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.599 -0.337 18053 2653 1 4 . 1 1 134 134 ARG C C 564 176.298 176.298 176.003 0.295 18053 2654 1 4 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.045 1.042 18053 2655 1 4 . 1 1 134 134 ARG CB C 564 30.702 30.702 32.215 -1.513 18053 2656 1 4 . 1 1 134 134 ARG H H 564 8.295 8.295 8.315 -0.020 18053 2657 1 4 . 1 1 135 135 GLU N N 565 121.945 121.945 121.835 0.110 18053 2658 1 4 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.317 -0.157 18053 2659 1 4 . 1 1 135 135 GLU C C 565 176.080 176.080 176.247 -0.167 18053 2660 1 4 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.748 0.158 18053 2661 1 4 . 1 1 135 135 GLU CB C 565 29.774 29.774 30.044 -0.270 18053 2662 1 4 . 1 1 135 135 GLU H H 565 8.470 8.470 8.726 -0.256 18053 2663 1 4 . 1 1 136 136 ASN N N 566 118.761 118.761 123.638 -4.877 18053 2664 1 4 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.804 -0.187 18053 2665 1 4 . 1 1 136 136 ASN C C 566 175.315 175.315 176.514 -1.199 18053 2666 1 4 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.498 -0.305 18053 2667 1 4 . 1 1 136 136 ASN CB C 566 38.836 38.836 39.157 -0.321 18053 2668 1 4 . 1 1 136 136 ASN H H 566 8.341 8.341 9.001 -0.660 18053 2669 1 4 . 1 1 137 137 GLU N N 567 121.349 121.349 120.671 0.678 18053 2670 1 4 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.232 -0.080 18053 2671 1 4 . 1 1 137 137 GLU C C 567 176.243 176.243 176.647 -0.404 18053 2672 1 4 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.953 -1.047 18053 2673 1 4 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.623 0.369 18053 2674 1 4 . 1 1 137 137 GLU H H 567 8.349 8.349 8.811 -0.462 18053 2675 1 4 . 1 1 138 138 ASN N N 568 118.761 118.761 114.583 4.178 18053 2676 1 4 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.780 -0.068 18053 2677 1 4 . 1 1 138 138 ASN C C 568 174.551 174.551 174.556 -0.005 18053 2678 1 4 . 1 1 138 138 ASN CA C 568 53.193 53.193 52.915 0.278 18053 2679 1 4 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.573 0.754 18053 2680 1 4 . 1 1 138 138 ASN H H 568 8.397 8.397 8.029 0.368 18053 2681 1 5 . 1 1 20 20 ALA N N 450 125.180 125.180 128.144 -2.964 18053 2682 1 5 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.344 0.362 18053 2683 1 5 . 1 1 20 20 ALA C C 450 177.226 177.226 177.138 0.088 18053 2684 1 5 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.181 0.576 18053 2685 1 5 . 1 1 20 20 ALA CB C 450 20.411 20.411 19.057 1.354 18053 2686 1 5 . 1 1 20 20 ALA H H 450 8.484 8.484 8.441 0.043 18053 2687 1 5 . 1 1 21 21 SER N N 451 115.714 115.714 119.666 -3.952 18053 2688 1 5 . 1 1 21 21 SER HA H 451 4.513 4.513 4.527 -0.014 18053 2689 1 5 . 1 1 21 21 SER C C 451 174.742 174.742 175.098 -0.356 18053 2690 1 5 . 1 1 21 21 SER CA C 451 58.516 58.516 58.217 0.299 18053 2691 1 5 . 1 1 21 21 SER CB C 451 64.159 64.159 63.148 1.011 18053 2692 1 5 . 1 1 21 21 SER H H 451 8.487 8.487 8.065 0.422 18053 2693 1 5 . 1 1 22 22 GLY N N 452 111.509 111.509 115.520 -4.011 18053 2694 1 5 . 1 1 22 22 GLY C C 452 174.401 174.401 175.060 -0.659 18053 2695 1 5 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.314 -0.255 18053 2696 1 5 . 1 1 22 22 GLY H H 452 8.198 8.198 8.596 -0.398 18053 2697 1 5 . 1 1 23 23 SER N N 453 116.191 116.191 115.448 0.743 18053 2698 1 5 . 1 1 23 23 SER HA H 453 4.364 4.364 4.326 0.038 18053 2699 1 5 . 1 1 23 23 SER C C 453 173.432 173.432 173.770 -0.338 18053 2700 1 5 . 1 1 23 23 SER CA C 453 59.744 59.744 60.729 -0.985 18053 2701 1 5 . 1 1 23 23 SER CB C 453 64.335 64.335 63.788 0.547 18053 2702 1 5 . 1 1 23 23 SER H H 453 8.494 8.494 8.416 0.078 18053 2703 1 5 . 1 1 24 24 VAL N N 454 121.656 121.656 118.212 3.444 18053 2704 1 5 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.409 0.626 18053 2705 1 5 . 1 1 24 24 VAL C C 454 174.606 174.606 174.764 -0.158 18053 2706 1 5 . 1 1 24 24 VAL CA C 454 61.055 61.055 60.495 0.560 18053 2707 1 5 . 1 1 24 24 VAL CB C 454 32.503 32.503 34.789 -2.287 18053 2708 1 5 . 1 1 24 24 VAL H H 454 7.830 7.830 7.792 0.038 18053 2709 1 5 . 1 1 25 25 SER N N 455 119.323 119.323 118.510 0.813 18053 2710 1 5 . 1 1 25 25 SER HA H 455 4.672 4.672 4.846 -0.174 18053 2711 1 5 . 1 1 25 25 SER C C 455 174.426 174.426 173.348 1.078 18053 2712 1 5 . 1 1 25 25 SER CA C 455 55.268 55.268 56.626 -1.358 18053 2713 1 5 . 1 1 25 25 SER CB C 455 65.162 65.162 66.748 -1.586 18053 2714 1 5 . 1 1 25 25 SER H H 455 9.065 9.065 8.783 0.282 18053 2715 1 5 . 1 1 26 26 ILE N N 456 119.468 119.468 123.284 -3.816 18053 2716 1 5 . 1 1 26 26 ILE HA H 456 4.180 4.180 3.895 0.285 18053 2717 1 5 . 1 1 26 26 ILE C C 456 175.506 175.506 175.889 -0.383 18053 2718 1 5 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.808 -1.480 18053 2719 1 5 . 1 1 26 26 ILE CB C 456 37.962 37.962 38.193 -0.231 18053 2720 1 5 . 1 1 26 26 ILE H H 456 8.295 8.295 8.728 -0.433 18053 2721 1 5 . 1 1 27 27 GLU N N 457 129.726 129.726 128.712 1.014 18053 2722 1 5 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.431 -0.203 18053 2723 1 5 . 1 1 27 27 GLU C C 457 175.179 175.179 175.875 -0.696 18053 2724 1 5 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.057 -1.625 18053 2725 1 5 . 1 1 27 27 GLU CB C 457 30.142 30.142 31.558 -1.416 18053 2726 1 5 . 1 1 27 27 GLU H H 457 8.393 8.393 8.656 -0.263 18053 2727 1 5 . 1 1 28 28 GLU N N 458 117.076 117.076 116.525 0.551 18053 2728 1 5 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.636 -0.468 18053 2729 1 5 . 1 1 28 28 GLU C C 458 174.701 174.701 174.921 -0.220 18053 2730 1 5 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.009 1.897 18053 2731 1 5 . 1 1 28 28 GLU CB C 458 31.848 31.848 33.803 -1.955 18053 2732 1 5 . 1 1 28 28 GLU H H 458 7.489 7.489 7.981 -0.492 18053 2733 1 5 . 1 1 29 29 ILE N N 459 122.183 122.183 120.065 2.118 18053 2734 1 5 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.887 -0.123 18053 2735 1 5 . 1 1 29 29 ILE C C 459 174.169 174.169 174.657 -0.488 18053 2736 1 5 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.401 0.125 18053 2737 1 5 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.322 -1.013 18053 2738 1 5 . 1 1 29 29 ILE H H 459 8.126 8.126 8.269 -0.143 18053 2739 1 5 . 1 1 30 30 ASP N N 460 123.205 123.205 124.472 -1.267 18053 2740 1 5 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.325 -0.142 18053 2741 1 5 . 1 1 30 30 ASP C C 460 178.318 178.318 177.737 0.581 18053 2742 1 5 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.930 -0.000 18053 2743 1 5 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.517 0.290 18053 2744 1 5 . 1 1 30 30 ASP H H 460 6.704 6.704 7.442 -0.738 18053 2745 1 5 . 1 1 31 31 LEU N N 461 128.551 128.551 122.478 6.073 18053 2746 1 5 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.191 -0.127 18053 2747 1 5 . 1 1 31 31 LEU C C 461 177.513 177.513 177.497 0.016 18053 2748 1 5 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.787 0.337 18053 2749 1 5 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.823 -0.586 18053 2750 1 5 . 1 1 31 31 LEU H H 461 9.012 9.012 8.335 0.677 18053 2751 1 5 . 1 1 32 32 GLU N N 462 115.101 115.101 117.562 -2.461 18053 2752 1 5 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.356 -0.073 18053 2753 1 5 . 1 1 32 32 GLU C C 462 177.062 177.062 176.906 0.156 18053 2754 1 5 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.255 -1.496 18053 2755 1 5 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.870 -1.301 18053 2756 1 5 . 1 1 32 32 GLU H H 462 7.588 7.588 7.945 -0.357 18053 2757 1 5 . 1 1 33 33 GLY N N 463 106.299 106.299 105.971 0.328 18053 2758 1 5 . 1 1 33 33 GLY C C 463 174.824 174.824 175.321 -0.497 18053 2759 1 5 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.991 1.815 18053 2760 1 5 . 1 1 33 33 GLY H H 463 7.372 7.372 8.061 -0.689 18053 2761 1 5 . 1 1 34 34 LYS N N 464 118.744 118.744 119.021 -0.277 18053 2762 1 5 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.356 0.205 18053 2763 1 5 . 1 1 34 34 LYS C C 464 177.076 177.076 175.264 1.812 18053 2764 1 5 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.333 2.630 18053 2765 1 5 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.204 -0.093 18053 2766 1 5 . 1 1 34 34 LYS H H 464 9.547 9.547 8.094 1.453 18053 2767 1 5 . 1 1 35 35 PHE N N 465 109.125 109.125 111.836 -2.711 18053 2768 1 5 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.855 0.659 18053 2769 1 5 . 1 1 35 35 PHE C C 465 174.183 174.183 172.658 1.525 18053 2770 1 5 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.281 1.351 18053 2771 1 5 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.506 0.093 18053 2772 1 5 . 1 1 35 35 PHE H H 465 6.740 6.740 7.056 -0.316 18053 2773 1 5 . 1 1 36 36 VAL N N 466 119.579 119.579 119.506 0.073 18053 2774 1 5 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.048 -0.339 18053 2775 1 5 . 1 1 36 36 VAL C C 466 172.668 172.668 174.414 -1.746 18053 2776 1 5 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.114 1.578 18053 2777 1 5 . 1 1 36 36 VAL CB C 466 36.215 36.215 33.676 2.539 18053 2778 1 5 . 1 1 36 36 VAL H H 466 7.628 7.628 8.504 -0.876 18053 2779 1 5 . 1 1 37 37 GLN N N 467 126.831 126.831 128.131 -1.300 18053 2780 1 5 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.561 0.888 18053 2781 1 5 . 1 1 37 37 GLN C C 467 174.797 174.797 174.389 0.408 18053 2782 1 5 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.943 -0.822 18053 2783 1 5 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.038 5.585 18053 2784 1 5 . 1 1 37 37 GLN H H 467 8.392 8.392 8.444 -0.052 18053 2785 1 5 . 1 1 38 38 LEU N N 468 123.018 123.018 129.377 -6.359 18053 2786 1 5 . 1 1 38 38 LEU HA H 468 5.422 5.422 4.714 0.708 18053 2787 1 5 . 1 1 38 38 LEU C C 468 175.588 175.588 174.303 1.285 18053 2788 1 5 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.146 -1.444 18053 2789 1 5 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.567 -0.521 18053 2790 1 5 . 1 1 38 38 LEU H H 468 9.103 9.103 8.928 0.175 18053 2791 1 5 . 1 1 39 39 LYS N N 469 118.983 118.983 125.159 -6.176 18053 2792 1 5 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.631 0.221 18053 2793 1 5 . 1 1 39 39 LYS C C 469 173.309 173.309 174.517 -1.208 18053 2794 1 5 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.533 0.461 18053 2795 1 5 . 1 1 39 39 LYS CB C 469 38.246 38.246 35.821 2.425 18053 2796 1 5 . 1 1 39 39 LYS H H 469 8.496 8.496 8.719 -0.223 18053 2797 1 5 . 1 1 40 40 ASN N N 470 121.758 121.758 122.682 -0.924 18053 2798 1 5 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.694 0.094 18053 2799 1 5 . 1 1 40 40 ASN C C 470 174.496 174.496 174.797 -0.301 18053 2800 1 5 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.604 -1.485 18053 2801 1 5 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.426 -1.867 18053 2802 1 5 . 1 1 40 40 ASN H H 470 8.283 8.283 8.428 -0.145 18053 2803 1 5 . 1 1 41 41 ASN N N 471 122.422 122.422 124.040 -1.618 18053 2804 1 5 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.796 -0.208 18053 2805 1 5 . 1 1 41 41 ASN C C 471 174.810 174.810 175.056 -0.246 18053 2806 1 5 . 1 1 41 41 ASN CA C 471 53.985 53.985 52.675 1.310 18053 2807 1 5 . 1 1 41 41 ASN CB C 471 39.600 39.600 40.110 -0.510 18053 2808 1 5 . 1 1 41 41 ASN H H 471 8.681 8.681 8.563 0.118 18053 2809 1 5 . 1 1 42 42 SER N N 472 116.446 116.446 116.118 0.328 18053 2810 1 5 . 1 1 42 42 SER HA H 472 4.719 4.719 4.502 0.217 18053 2811 1 5 . 1 1 42 42 SER C C 472 172.804 172.804 175.034 -2.230 18053 2812 1 5 . 1 1 42 42 SER CA C 472 57.288 57.288 57.380 -0.092 18053 2813 1 5 . 1 1 42 42 SER CB C 472 66.241 66.241 64.847 1.394 18053 2814 1 5 . 1 1 42 42 SER H H 472 8.370 8.370 8.202 0.168 18053 2815 1 5 . 1 1 43 43 ASP N N 473 117.706 117.706 119.979 -2.273 18053 2816 1 5 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.681 -0.207 18053 2817 1 5 . 1 1 43 43 ASP C C 473 175.343 175.343 175.701 -0.358 18053 2818 1 5 . 1 1 43 43 ASP CA C 473 53.521 53.521 54.456 -0.935 18053 2819 1 5 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.682 -0.360 18053 2820 1 5 . 1 1 43 43 ASP H H 473 8.254 8.254 8.590 -0.336 18053 2821 1 5 . 1 1 44 44 LYS N N 474 120.209 120.209 119.471 0.738 18053 2822 1 5 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.485 0.084 18053 2823 1 5 . 1 1 44 44 LYS C C 474 175.397 175.397 174.130 1.267 18053 2824 1 5 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.641 -0.629 18053 2825 1 5 . 1 1 44 44 LYS CB C 474 35.383 35.383 33.718 1.665 18053 2826 1 5 . 1 1 44 44 LYS H H 474 8.305 8.305 7.342 0.963 18053 2827 1 5 . 1 1 45 45 ASP N N 475 124.993 124.993 121.177 3.816 18053 2828 1 5 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.419 -0.444 18053 2829 1 5 . 1 1 45 45 ASP C C 475 174.810 174.810 176.021 -1.211 18053 2830 1 5 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.755 -0.760 18053 2831 1 5 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.105 0.259 18053 2832 1 5 . 1 1 45 45 ASP H H 475 8.722 8.722 8.536 0.186 18053 2833 1 5 . 1 1 46 46 GLN N N 476 120.549 120.549 126.588 -6.039 18053 2834 1 5 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.298 0.138 18053 2835 1 5 . 1 1 46 46 GLN C C 476 174.019 174.019 175.226 -1.207 18053 2836 1 5 . 1 1 46 46 GLN CA C 476 53.138 53.138 55.137 -1.999 18053 2837 1 5 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.233 2.233 18053 2838 1 5 . 1 1 46 46 GLN H H 476 7.878 7.878 8.269 -0.391 18053 2839 1 5 . 1 1 47 47 SER N N 477 121.537 121.537 122.284 -0.747 18053 2840 1 5 . 1 1 47 47 SER HA H 477 4.229 4.229 4.225 0.004 18053 2841 1 5 . 1 1 47 47 SER C C 477 174.565 174.565 173.730 0.835 18053 2842 1 5 . 1 1 47 47 SER CA C 477 58.706 58.706 58.837 -0.132 18053 2843 1 5 . 1 1 47 47 SER CB C 477 62.965 62.965 63.094 -0.129 18053 2844 1 5 . 1 1 47 47 SER H H 477 8.748 8.748 8.743 0.005 18053 2845 1 5 . 1 1 48 48 LEU N N 478 127.751 127.751 127.035 0.716 18053 2846 1 5 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.455 -1.824 18053 2847 1 5 . 1 1 48 48 LEU C C 478 176.789 176.789 176.825 -0.036 18053 2848 1 5 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.928 -2.826 18053 2849 1 5 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.335 -0.992 18053 2850 1 5 . 1 1 48 48 LEU H H 478 7.856 7.856 7.583 0.273 18053 2851 1 5 . 1 1 49 49 GLY N N 479 107.525 107.525 106.968 0.557 18053 2852 1 5 . 1 1 49 49 GLY C C 479 176.653 176.653 175.462 1.191 18053 2853 1 5 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.844 2.218 18053 2854 1 5 . 1 1 49 49 GLY H H 479 7.728 7.728 8.707 -0.979 18053 2855 1 5 . 1 1 50 50 ASN N N 480 117.059 117.059 120.093 -3.034 18053 2856 1 5 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.589 -0.334 18053 2857 1 5 . 1 1 50 50 ASN C C 480 174.961 174.961 175.731 -0.770 18053 2858 1 5 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.466 1.894 18053 2859 1 5 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.911 -1.495 18053 2860 1 5 . 1 1 50 50 ASN H H 480 7.552 7.552 8.856 -1.304 18053 2861 1 5 . 1 1 51 51 TRP N N 481 122.166 122.166 118.238 3.928 18053 2862 1 5 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.876 -0.399 18053 2863 1 5 . 1 1 51 51 TRP C C 481 175.575 175.575 175.627 -0.052 18053 2864 1 5 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.968 0.794 18053 2865 1 5 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.747 -2.706 18053 2866 1 5 . 1 1 51 51 TRP H H 481 8.914 8.914 7.777 1.137 18053 2867 1 5 . 1 1 52 52 ARG N N 482 116.480 116.480 115.901 0.579 18053 2868 1 5 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.234 0.734 18053 2869 1 5 . 1 1 52 52 ARG C C 482 175.807 175.807 174.988 0.819 18053 2870 1 5 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.424 -1.303 18053 2871 1 5 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.397 1.727 18053 2872 1 5 . 1 1 52 52 ARG H H 482 9.147 9.147 9.269 -0.122 18053 2873 1 5 . 1 1 53 53 ILE N N 483 119.579 119.579 125.991 -6.412 18053 2874 1 5 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.927 0.058 18053 2875 1 5 . 1 1 53 53 ILE C C 483 175.670 175.670 175.916 -0.246 18053 2876 1 5 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.929 -0.529 18053 2877 1 5 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.318 1.909 18053 2878 1 5 . 1 1 53 53 ILE H H 483 9.000 9.000 8.617 0.383 18053 2879 1 5 . 1 1 54 54 LYS N N 484 124.737 124.737 127.968 -3.231 18053 2880 1 5 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.240 0.223 18053 2881 1 5 . 1 1 54 54 LYS C C 484 175.575 175.575 176.378 -0.803 18053 2882 1 5 . 1 1 54 54 LYS CA C 484 54.613 54.613 55.792 -1.179 18053 2883 1 5 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.218 0.823 18053 2884 1 5 . 1 1 54 54 LYS H H 484 9.678 9.678 8.569 1.109 18053 2885 1 5 . 1 1 55 55 ARG N N 485 124.090 124.090 120.771 3.319 18053 2886 1 5 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.821 0.704 18053 2887 1 5 . 1 1 55 55 ARG C C 485 174.155 174.155 174.129 0.026 18053 2888 1 5 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.978 -2.075 18053 2889 1 5 . 1 1 55 55 ARG H H 485 9.314 9.314 8.793 0.521 18053 2890 1 5 . 1 1 56 56 GLN N N 486 126.576 126.576 127.788 -1.212 18053 2891 1 5 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.819 0.023 18053 2892 1 5 . 1 1 56 56 GLN C C 486 174.991 174.991 175.327 -0.336 18053 2893 1 5 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.581 0.250 18053 2894 1 5 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.231 2.234 18053 2895 1 5 . 1 1 56 56 GLN H H 486 8.831 8.831 8.636 0.195 18053 2896 1 5 . 1 1 57 57 VAL N N 487 126.712 126.712 124.398 2.314 18053 2897 1 5 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.096 0.170 18053 2898 1 5 . 1 1 57 57 VAL C C 487 175.916 175.916 178.033 -2.117 18053 2899 1 5 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.590 -0.770 18053 2900 1 5 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.009 0.794 18053 2901 1 5 . 1 1 57 57 VAL H H 487 8.786 8.786 8.363 0.423 18053 2902 1 5 . 1 1 58 58 LEU N N 488 127.274 127.274 124.070 3.204 18053 2903 1 5 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.112 -0.027 18053 2904 1 5 . 1 1 58 58 LEU C C 488 177.158 177.158 177.893 -0.735 18053 2905 1 5 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.007 -1.101 18053 2906 1 5 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.271 0.103 18053 2907 1 5 . 1 1 58 58 LEU H H 488 8.316 8.316 8.484 -0.168 18053 2908 1 5 . 1 1 59 59 GLU N N 489 119.647 119.647 117.149 2.498 18053 2909 1 5 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.314 -0.202 18053 2910 1 5 . 1 1 59 59 GLU C C 489 176.230 176.230 177.357 -1.127 18053 2911 1 5 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.360 0.655 18053 2912 1 5 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.860 -1.711 18053 2913 1 5 . 1 1 59 59 GLU H H 489 8.636 8.636 8.281 0.355 18053 2914 1 5 . 1 1 60 60 GLY N N 490 108.819 108.819 108.642 0.177 18053 2915 1 5 . 1 1 60 60 GLY C C 490 173.568 173.568 173.263 0.305 18053 2916 1 5 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.646 0.127 18053 2917 1 5 . 1 1 60 60 GLY H H 490 8.160 8.160 7.758 0.402 18053 2918 1 5 . 1 1 61 61 GLU N N 491 121.009 121.009 121.281 -0.272 18053 2919 1 5 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.324 -0.001 18053 2920 1 5 . 1 1 61 61 GLU C C 491 175.725 175.725 175.785 -0.060 18053 2921 1 5 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.278 -0.082 18053 2922 1 5 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.742 1.123 18053 2923 1 5 . 1 1 61 61 GLU H H 491 8.320 8.320 8.553 -0.233 18053 2924 1 5 . 1 1 62 62 GLU N N 492 123.426 123.426 125.152 -1.726 18053 2925 1 5 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.061 -0.007 18053 2926 1 5 . 1 1 62 62 GLU C C 492 175.930 175.930 176.242 -0.312 18053 2927 1 5 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.093 0.557 18053 2928 1 5 . 1 1 62 62 GLU CB C 492 32.312 32.312 29.470 2.842 18053 2929 1 5 . 1 1 62 62 GLU H H 492 8.594 8.594 8.583 0.011 18053 2930 1 5 . 1 1 63 63 ILE N N 493 119.732 119.732 120.062 -0.330 18053 2931 1 5 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.715 0.073 18053 2932 1 5 . 1 1 63 63 ILE C C 493 174.647 174.647 174.325 0.322 18053 2933 1 5 . 1 1 63 63 ILE CA C 493 60.181 60.181 60.069 0.112 18053 2934 1 5 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.419 0.764 18053 2935 1 5 . 1 1 63 63 ILE H H 493 8.523 8.523 7.934 0.589 18053 2936 1 5 . 1 1 64 64 ALA N N 494 122.166 122.166 127.875 -5.709 18053 2937 1 5 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.919 0.602 18053 2938 1 5 . 1 1 64 64 ALA C C 494 174.606 174.606 175.212 -0.606 18053 2939 1 5 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.712 0.816 18053 2940 1 5 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.278 0.961 18053 2941 1 5 . 1 1 64 64 ALA H H 494 8.741 8.741 8.461 0.280 18053 2942 1 5 . 1 1 65 65 TYR N N 495 126.729 126.729 125.956 0.773 18053 2943 1 5 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.604 -0.510 18053 2944 1 5 . 1 1 65 65 TYR C C 495 173.036 173.036 173.477 -0.441 18053 2945 1 5 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.422 0.483 18053 2946 1 5 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.403 1.866 18053 2947 1 5 . 1 1 65 65 TYR H H 495 8.462 8.462 8.284 0.178 18053 2948 1 5 . 1 1 66 66 LYS N N 496 128.108 128.108 126.719 1.389 18053 2949 1 5 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.289 0.533 18053 2950 1 5 . 1 1 66 66 LYS C C 496 174.906 174.906 175.686 -0.780 18053 2951 1 5 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.251 -1.512 18053 2952 1 5 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.007 1.775 18053 2953 1 5 . 1 1 66 66 LYS H H 496 7.010 7.010 7.635 -0.625 18053 2954 1 5 . 1 1 67 67 PHE N N 497 125.299 125.299 122.478 2.821 18053 2955 1 5 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.228 -0.296 18053 2956 1 5 . 1 1 67 67 PHE C C 497 177.990 177.990 175.478 2.512 18053 2957 1 5 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.494 1.513 18053 2958 1 5 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.400 0.581 18053 2959 1 5 . 1 1 67 67 PHE H H 497 8.509 8.509 7.937 0.572 18053 2960 1 5 . 1 1 68 68 THR N N 498 116.191 116.191 111.837 4.354 18053 2961 1 5 . 1 1 68 68 THR HA H 498 4.417 4.417 4.652 -0.235 18053 2962 1 5 . 1 1 68 68 THR CA C 498 60.855 60.855 59.456 1.399 18053 2963 1 5 . 1 1 68 68 THR CB C 498 68.019 68.019 69.290 -1.271 18053 2964 1 5 . 1 1 68 68 THR H H 498 8.688 8.688 8.315 0.373 18053 2965 1 5 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.483 -0.535 18053 2966 1 5 . 1 1 69 69 PRO C C 499 177.444 177.444 176.810 0.634 18053 2967 1 5 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.476 1.601 18053 2968 1 5 . 1 1 69 69 PRO CB C 499 32.776 32.776 32.098 0.678 18053 2969 1 5 . 1 1 70 70 LYS N N 500 113.552 113.552 114.061 -0.509 18053 2970 1 5 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.165 0.220 18053 2971 1 5 . 1 1 70 70 LYS C C 500 176.325 176.325 176.803 -0.478 18053 2972 1 5 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.949 -1.954 18053 2973 1 5 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.051 -0.258 18053 2974 1 5 . 1 1 70 70 LYS H H 500 8.016 8.016 7.887 0.129 18053 2975 1 5 . 1 1 71 71 TYR N N 501 121.860 121.860 121.854 0.006 18053 2976 1 5 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.352 -0.622 18053 2977 1 5 . 1 1 71 71 TYR C C 501 174.838 174.838 174.125 0.713 18053 2978 1 5 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.601 2.709 18053 2979 1 5 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.256 -0.475 18053 2980 1 5 . 1 1 71 71 TYR H H 501 7.460 7.460 7.768 -0.308 18053 2981 1 5 . 1 1 72 72 ILE N N 502 129.487 129.487 127.447 2.040 18053 2982 1 5 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.434 -0.506 18053 2983 1 5 . 1 1 72 72 ILE C C 502 172.968 172.968 173.374 -0.406 18053 2984 1 5 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.563 -0.255 18053 2985 1 5 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.272 -0.362 18053 2986 1 5 . 1 1 72 72 ILE H H 502 7.168 7.168 7.618 -0.450 18053 2987 1 5 . 1 1 73 73 LEU N N 503 128.278 128.278 126.849 1.429 18053 2988 1 5 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.597 -0.104 18053 2989 1 5 . 1 1 73 73 LEU C C 503 175.834 175.834 175.289 0.545 18053 2990 1 5 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.507 -0.542 18053 2991 1 5 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.839 -2.291 18053 2992 1 5 . 1 1 73 73 LEU H H 503 8.483 8.483 8.307 0.176 18053 2993 1 5 . 1 1 74 74 ARG N N 504 129.589 129.589 125.102 4.487 18053 2994 1 5 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.211 -0.468 18053 2995 1 5 . 1 1 74 74 ARG C C 504 175.233 175.233 175.250 -0.017 18053 2996 1 5 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.196 1.655 18053 2997 1 5 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.768 -0.476 18053 2998 1 5 . 1 1 74 74 ARG H H 504 8.673 8.673 8.327 0.346 18053 2999 1 5 . 1 1 75 75 ALA N N 505 123.205 123.205 123.594 -0.389 18053 3000 1 5 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.140 -0.618 18053 3001 1 5 . 1 1 75 75 ALA C C 505 178.441 178.441 178.760 -0.319 18053 3002 1 5 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.187 0.607 18053 3003 1 5 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.951 -0.041 18053 3004 1 5 . 1 1 75 75 ALA H H 505 8.564 8.564 8.216 0.347 18053 3005 1 5 . 1 1 76 76 GLY N N 506 112.241 112.241 111.892 0.349 18053 3006 1 5 . 1 1 76 76 GLY C C 506 174.278 174.278 174.715 -0.437 18053 3007 1 5 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.530 1.195 18053 3008 1 5 . 1 1 76 76 GLY H H 506 7.381 7.381 8.466 -1.085 18053 3009 1 5 . 1 1 77 77 GLN N N 507 117.382 117.382 120.876 -3.494 18053 3010 1 5 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.286 0.078 18053 3011 1 5 . 1 1 77 77 GLN C C 507 173.937 173.937 174.774 -0.837 18053 3012 1 5 . 1 1 77 77 GLN CA C 507 54.558 54.558 56.058 -1.500 18053 3013 1 5 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.523 0.550 18053 3014 1 5 . 1 1 77 77 GLN H H 507 7.996 7.996 7.613 0.383 18053 3015 1 5 . 1 1 78 78 MET N N 508 116.957 116.957 113.377 3.580 18053 3016 1 5 . 1 1 78 78 MET HA H 508 5.388 5.388 5.078 0.310 18053 3017 1 5 . 1 1 78 78 MET C C 508 175.807 175.807 173.851 1.956 18053 3018 1 5 . 1 1 78 78 MET CA C 508 54.067 54.067 54.646 -0.579 18053 3019 1 5 . 1 1 78 78 MET CB C 508 37.198 37.198 37.236 -0.038 18053 3020 1 5 . 1 1 78 78 MET H H 508 8.092 8.092 8.178 -0.086 18053 3021 1 5 . 1 1 79 79 VAL N N 509 119.340 119.340 122.301 -2.961 18053 3022 1 5 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.776 0.180 18053 3023 1 5 . 1 1 79 79 VAL C C 509 172.217 172.217 174.621 -2.404 18053 3024 1 5 . 1 1 79 79 VAL CA C 509 59.471 59.471 59.747 -0.276 18053 3025 1 5 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.548 -0.872 18053 3026 1 5 . 1 1 79 79 VAL H H 509 8.534 8.534 8.870 -0.336 18053 3027 1 5 . 1 1 80 80 THR N N 510 124.533 124.533 126.172 -1.639 18053 3028 1 5 . 1 1 80 80 THR HA H 510 4.586 4.586 4.773 -0.187 18053 3029 1 5 . 1 1 80 80 THR C C 510 172.215 172.215 174.177 -1.962 18053 3030 1 5 . 1 1 80 80 THR CA C 510 62.119 62.119 62.085 0.034 18053 3031 1 5 . 1 1 80 80 THR CB C 510 69.407 69.407 69.091 0.316 18053 3032 1 5 . 1 1 80 80 THR H H 510 8.301 8.301 8.878 -0.577 18053 3033 1 5 . 1 1 81 81 VAL N N 511 127.002 127.002 128.358 -1.356 18053 3034 1 5 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.483 0.113 18053 3035 1 5 . 1 1 81 81 VAL C C 511 176.667 176.667 175.612 1.055 18053 3036 1 5 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.897 -1.515 18053 3037 1 5 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.986 -0.041 18053 3038 1 5 . 1 1 81 81 VAL H H 511 8.796 8.796 8.822 -0.026 18053 3039 1 5 . 1 1 82 82 TRP N N 512 131.479 131.479 129.564 1.915 18053 3040 1 5 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.235 0.103 18053 3041 1 5 . 1 1 82 82 TRP C C 512 176.885 176.885 175.802 1.083 18053 3042 1 5 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.291 -0.848 18053 3043 1 5 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.078 -0.377 18053 3044 1 5 . 1 1 82 82 TRP H H 512 9.924 9.924 9.344 0.580 18053 3045 1 5 . 1 1 83 83 ALA N N 513 123.954 123.954 121.129 2.825 18053 3046 1 5 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.967 -0.659 18053 3047 1 5 . 1 1 83 83 ALA C C 513 178.140 178.140 178.368 -0.228 18053 3048 1 5 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.940 1.271 18053 3049 1 5 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.363 -1.618 18053 3050 1 5 . 1 1 83 83 ALA H H 513 9.048 9.048 8.588 0.460 18053 3051 1 5 . 1 1 84 84 ALA N N 514 125.146 125.146 124.402 0.744 18053 3052 1 5 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.180 -0.229 18053 3053 1 5 . 1 1 84 84 ALA C C 514 179.519 179.519 179.311 0.208 18053 3054 1 5 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.789 0.015 18053 3055 1 5 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.959 -0.377 18053 3056 1 5 . 1 1 84 84 ALA H H 514 8.341 8.341 8.283 0.058 18053 3057 1 5 . 1 1 85 85 GLY N N 515 103.388 103.388 105.182 -1.794 18053 3058 1 5 . 1 1 85 85 GLY C C 515 174.674 174.674 175.364 -0.690 18053 3059 1 5 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.639 0.239 18053 3060 1 5 . 1 1 85 85 GLY H H 515 7.996 7.996 8.072 -0.076 18053 3061 1 5 . 1 1 86 86 ALA N N 516 120.140 120.140 122.976 -2.836 18053 3062 1 5 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.483 -0.139 18053 3063 1 5 . 1 1 86 86 ALA C C 516 177.690 177.690 178.382 -0.692 18053 3064 1 5 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.325 0.814 18053 3065 1 5 . 1 1 86 86 ALA CB C 516 20.547 20.547 18.996 1.551 18053 3066 1 5 . 1 1 86 86 ALA H H 516 7.474 7.474 7.325 0.149 18053 3067 1 5 . 1 1 87 87 GLY N N 517 105.720 105.720 108.247 -2.527 18053 3068 1 5 . 1 1 87 87 GLY C C 517 173.650 173.650 174.701 -1.051 18053 3069 1 5 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.396 0.618 18053 3070 1 5 . 1 1 87 87 GLY H H 517 7.779 7.779 7.709 0.070 18053 3071 1 5 . 1 1 88 88 VAL N N 518 121.537 121.537 120.043 1.494 18053 3072 1 5 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.105 -0.520 18053 3073 1 5 . 1 1 88 88 VAL C C 518 174.851 174.851 175.253 -0.402 18053 3074 1 5 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.423 -0.149 18053 3075 1 5 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.681 0.695 18053 3076 1 5 . 1 1 88 88 VAL H H 518 7.499 7.499 7.803 -0.304 18053 3077 1 5 . 1 1 89 89 ALA N N 519 128.295 128.295 130.452 -2.157 18053 3078 1 5 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.324 -0.132 18053 3079 1 5 . 1 1 89 89 ALA C C 519 176.680 176.680 176.778 -0.098 18053 3080 1 5 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.933 -0.650 18053 3081 1 5 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.230 0.062 18053 3082 1 5 . 1 1 89 89 ALA H H 519 7.960 7.960 8.149 -0.189 18053 3083 1 5 . 1 1 90 90 HIS N N 520 122.643 122.643 124.482 -1.839 18053 3084 1 5 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.412 -0.379 18053 3085 1 5 . 1 1 90 90 HIS C C 520 175.793 175.793 174.458 1.335 18053 3086 1 5 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.165 2.488 18053 3087 1 5 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.709 2.576 18053 3088 1 5 . 1 1 90 90 HIS H H 520 8.394 8.394 8.892 -0.498 18053 3089 1 5 . 1 1 91 91 SER N N 521 121.247 121.247 124.142 -2.895 18053 3090 1 5 . 1 1 91 91 SER HA H 521 4.629 4.629 4.720 -0.091 18053 3091 1 5 . 1 1 91 91 SER CA C 521 55.843 55.843 56.133 -0.290 18053 3092 1 5 . 1 1 91 91 SER CB C 521 62.367 62.367 63.716 -1.349 18053 3093 1 5 . 1 1 91 91 SER H H 521 8.569 8.569 8.556 0.013 18053 3094 1 5 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.681 -0.679 18053 3095 1 5 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.489 -0.245 18053 3096 1 5 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.448 -0.517 18053 3097 1 5 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.737 -0.065 18053 3098 1 5 . 1 1 93 93 PRO C C 523 177.786 177.786 178.142 -0.356 18053 3099 1 5 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.330 -0.327 18053 3100 1 5 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.520 2.385 18053 3101 1 5 . 1 1 94 94 SER N N 524 117.212 117.212 116.616 0.596 18053 3102 1 5 . 1 1 94 94 SER HA H 524 4.678 4.678 4.483 0.195 18053 3103 1 5 . 1 1 94 94 SER C C 524 174.851 174.851 174.704 0.147 18053 3104 1 5 . 1 1 94 94 SER CA C 524 61.874 61.874 61.358 0.516 18053 3105 1 5 . 1 1 94 94 SER CB C 524 64.057 64.057 63.689 0.368 18053 3106 1 5 . 1 1 94 94 SER H H 524 8.463 8.463 8.356 0.107 18053 3107 1 5 . 1 1 95 95 THR N N 525 121.588 121.588 119.180 2.408 18053 3108 1 5 . 1 1 95 95 THR HA H 525 4.859 4.859 5.031 -0.172 18053 3109 1 5 . 1 1 95 95 THR C C 525 172.094 172.094 172.907 -0.813 18053 3110 1 5 . 1 1 95 95 THR CA C 525 62.309 62.309 62.080 0.229 18053 3111 1 5 . 1 1 95 95 THR CB C 525 70.281 70.281 69.627 0.654 18053 3112 1 5 . 1 1 95 95 THR H H 525 7.631 7.631 8.024 -0.393 18053 3113 1 5 . 1 1 96 96 LEU N N 526 127.274 127.274 129.500 -2.226 18053 3114 1 5 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.109 0.022 18053 3115 1 5 . 1 1 96 96 LEU C C 526 175.916 175.916 175.488 0.428 18053 3116 1 5 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.213 -2.138 18053 3117 1 5 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.492 -0.702 18053 3118 1 5 . 1 1 96 96 LEU H H 526 8.977 8.977 8.378 0.599 18053 3119 1 5 . 1 1 97 97 VAL N N 527 124.056 124.056 120.813 3.243 18053 3120 1 5 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.627 0.242 18053 3121 1 5 . 1 1 97 97 VAL C C 527 176.230 176.230 174.960 1.270 18053 3122 1 5 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.442 0.077 18053 3123 1 5 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.342 -0.638 18053 3124 1 5 . 1 1 97 97 VAL H H 527 10.724 10.724 7.854 2.870 18053 3125 1 5 . 1 1 98 98 TRP N N 528 132.586 132.586 130.551 2.035 18053 3126 1 5 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.251 0.714 18053 3127 1 5 . 1 1 98 98 TRP C C 528 173.391 173.391 174.548 -1.157 18053 3128 1 5 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.417 -2.114 18053 3129 1 5 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.749 -0.504 18053 3130 1 5 . 1 1 98 98 TRP H H 528 9.400 9.400 8.824 0.576 18053 3131 1 5 . 1 1 99 99 LYS N N 529 126.644 126.644 127.620 -0.976 18053 3132 1 5 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.096 -0.257 18053 3133 1 5 . 1 1 99 99 LYS C C 529 177.581 177.581 177.705 -0.124 18053 3134 1 5 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.367 1.175 18053 3135 1 5 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.860 -0.684 18053 3136 1 5 . 1 1 99 99 LYS H H 529 8.153 8.153 8.004 0.149 18053 3137 1 5 . 1 1 100 100 GLY N N 530 110.385 110.385 114.660 -4.275 18053 3138 1 5 . 1 1 100 100 GLY C C 530 172.367 172.367 173.892 -1.525 18053 3139 1 5 . 1 1 100 100 GLY CA C 530 45.278 45.278 45.524 -0.246 18053 3140 1 5 . 1 1 100 100 GLY H H 530 8.363 8.363 8.640 -0.277 18053 3141 1 5 . 1 1 101 101 GLN N N 531 121.162 121.162 123.227 -2.065 18053 3142 1 5 . 1 1 101 101 GLN HA H 531 3.972 3.972 3.978 -0.006 18053 3143 1 5 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.034 -1.414 18053 3144 1 5 . 1 1 101 101 GLN CB C 531 27.595 27.595 26.966 0.629 18053 3145 1 5 . 1 1 101 101 GLN H H 531 6.815 6.815 7.371 -0.556 18053 3146 1 5 . 1 1 102 102 SER N N 532 122.728 122.728 122.849 -0.121 18053 3147 1 5 . 1 1 102 102 SER HA H 532 3.866 3.866 4.366 -0.500 18053 3148 1 5 . 1 1 102 102 SER C C 532 174.537 174.537 176.100 -1.563 18053 3149 1 5 . 1 1 102 102 SER CA C 532 61.983 61.983 61.320 0.663 18053 3150 1 5 . 1 1 102 102 SER CB C 532 62.802 62.802 63.337 -0.535 18053 3151 1 5 . 1 1 102 102 SER H H 532 8.662 8.662 8.380 0.282 18053 3152 1 5 . 1 1 103 103 SER N N 533 110.811 110.811 116.058 -5.247 18053 3153 1 5 . 1 1 103 103 SER HA H 533 4.240 4.240 4.441 -0.201 18053 3154 1 5 . 1 1 103 103 SER C C 533 174.087 174.087 174.424 -0.337 18053 3155 1 5 . 1 1 103 103 SER CA C 533 56.633 56.633 59.348 -2.715 18053 3156 1 5 . 1 1 103 103 SER CB C 533 64.658 64.658 63.821 0.837 18053 3157 1 5 . 1 1 103 103 SER H H 533 7.134 7.134 7.729 -0.595 18053 3158 1 5 . 1 1 104 104 TRP N N 534 126.133 126.133 121.043 5.090 18053 3159 1 5 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.076 0.022 18053 3160 1 5 . 1 1 104 104 TRP C C 534 176.066 176.066 175.545 0.521 18053 3161 1 5 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.586 2.541 18053 3162 1 5 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.782 -0.018 18053 3163 1 5 . 1 1 104 104 TRP H H 534 9.764 9.764 7.603 2.161 18053 3164 1 5 . 1 1 105 105 GLY N N 535 105.907 105.907 105.488 0.419 18053 3165 1 5 . 1 1 105 105 GLY C C 535 172.217 172.217 173.990 -1.773 18053 3166 1 5 . 1 1 105 105 GLY CA C 535 44.240 44.240 45.014 -0.774 18053 3167 1 5 . 1 1 105 105 GLY H H 535 8.095 8.095 8.183 -0.088 18053 3168 1 5 . 1 1 106 106 THR N N 536 111.253 111.253 112.344 -1.091 18053 3169 1 5 . 1 1 106 106 THR HA H 536 3.859 3.859 4.485 -0.626 18053 3170 1 5 . 1 1 106 106 THR C C 536 172.872 172.872 175.080 -2.208 18053 3171 1 5 . 1 1 106 106 THR CA C 536 59.635 59.635 62.448 -2.813 18053 3172 1 5 . 1 1 106 106 THR CB C 536 70.526 70.526 68.987 1.539 18053 3173 1 5 . 1 1 106 106 THR H H 536 7.913 7.913 7.428 0.485 18053 3174 1 5 . 1 1 107 107 GLY N N 537 107.712 107.712 114.408 -6.696 18053 3175 1 5 . 1 1 107 107 GLY C C 537 172.709 172.709 172.738 -0.029 18053 3176 1 5 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.340 -0.174 18053 3177 1 5 . 1 1 107 107 GLY H H 537 7.533 7.533 8.058 -0.525 18053 3178 1 5 . 1 1 108 108 GLU N N 538 118.864 118.864 119.201 -0.337 18053 3179 1 5 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.157 -0.021 18053 3180 1 5 . 1 1 108 108 GLU C C 538 176.353 176.353 175.437 0.916 18053 3181 1 5 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.245 1.107 18053 3182 1 5 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.182 -0.026 18053 3183 1 5 . 1 1 108 108 GLU H H 538 8.558 8.558 8.618 -0.060 18053 3184 1 5 . 1 1 109 109 SER N N 539 110.419 110.419 112.602 -2.183 18053 3185 1 5 . 1 1 109 109 SER HA H 539 4.963 4.963 4.735 0.228 18053 3186 1 5 . 1 1 109 109 SER C C 539 173.787 173.787 172.681 1.106 18053 3187 1 5 . 1 1 109 109 SER CA C 539 57.125 57.125 57.537 -0.412 18053 3188 1 5 . 1 1 109 109 SER CB C 539 64.439 64.439 64.707 -0.268 18053 3189 1 5 . 1 1 109 109 SER H H 539 7.620 7.620 7.617 0.003 18053 3190 1 5 . 1 1 110 110 PHE N N 540 118.778 118.778 117.920 0.858 18053 3191 1 5 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.326 -0.245 18053 3192 1 5 . 1 1 110 110 PHE C C 540 176.052 176.052 173.070 2.982 18053 3193 1 5 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.615 0.174 18053 3194 1 5 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.136 -1.375 18053 3195 1 5 . 1 1 110 110 PHE H H 540 8.318 8.318 8.592 -0.274 18053 3196 1 5 . 1 1 112 112 THR HA H 542 5.468 5.468 4.648 0.820 18053 3197 1 5 . 1 1 112 112 THR C C 542 172.381 172.381 173.552 -1.171 18053 3198 1 5 . 1 1 112 112 THR CA C 542 61.818 61.818 63.253 -1.435 18053 3199 1 5 . 1 1 112 112 THR CB C 542 70.990 70.990 69.328 1.662 18053 3200 1 5 . 1 1 113 113 VAL N N 543 124.771 124.771 126.935 -2.164 18053 3201 1 5 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.485 0.379 18053 3202 1 5 . 1 1 113 113 VAL C C 543 173.132 173.132 174.232 -1.100 18053 3203 1 5 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.557 -0.458 18053 3204 1 5 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.965 2.468 18053 3205 1 5 . 1 1 113 113 VAL H H 543 9.380 9.380 8.485 0.895 18053 3206 1 5 . 1 1 114 114 LEU N N 544 128.789 128.789 128.622 0.167 18053 3207 1 5 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.889 0.431 18053 3208 1 5 . 1 1 114 114 LEU C C 544 174.237 174.237 175.007 -0.770 18053 3209 1 5 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.807 -0.614 18053 3210 1 5 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.306 1.573 18053 3211 1 5 . 1 1 114 114 LEU H H 544 8.948 8.948 8.553 0.395 18053 3212 1 5 . 1 1 115 115 VAL N N 545 127.002 127.002 127.040 -0.038 18053 3213 1 5 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.808 0.046 18053 3214 1 5 . 1 1 115 115 VAL C C 545 175.206 175.206 174.779 0.427 18053 3215 1 5 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.427 -1.093 18053 3216 1 5 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.670 -0.175 18053 3217 1 5 . 1 1 115 115 VAL H H 545 9.564 9.564 8.946 0.618 18053 3218 1 5 . 1 1 116 116 ASN N N 546 121.179 121.179 122.469 -1.290 18053 3219 1 5 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.785 -0.888 18053 3220 1 5 . 1 1 116 116 ASN C C 546 176.885 176.885 175.698 1.187 18053 3221 1 5 . 1 1 116 116 ASN CA C 546 50.409 50.409 50.972 -0.563 18053 3222 1 5 . 1 1 116 116 ASN CB C 546 36.639 36.639 38.947 -2.308 18053 3223 1 5 . 1 1 116 116 ASN H H 546 8.016 8.016 7.827 0.189 18053 3224 1 5 . 1 1 117 117 ALA N N 547 119.834 119.834 122.252 -2.418 18053 3225 1 5 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.092 -0.226 18053 3226 1 5 . 1 1 117 117 ALA C C 547 177.772 177.772 178.616 -0.844 18053 3227 1 5 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.435 0.069 18053 3228 1 5 . 1 1 117 117 ALA CB C 547 18.200 18.200 17.983 0.217 18053 3229 1 5 . 1 1 117 117 ALA H H 547 6.444 6.444 8.089 -1.645 18053 3230 1 5 . 1 1 118 118 ASP N N 548 115.646 115.646 117.398 -1.752 18053 3231 1 5 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.303 0.341 18053 3232 1 5 . 1 1 118 118 ASP C C 548 176.052 176.052 177.393 -1.341 18053 3233 1 5 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.490 -1.423 18053 3234 1 5 . 1 1 118 118 ASP CB C 548 41.674 41.674 40.807 0.867 18053 3235 1 5 . 1 1 118 118 ASP H H 548 7.181 7.181 8.014 -0.833 18053 3236 1 5 . 1 1 119 119 GLY N N 549 107.167 107.167 107.922 -0.755 18053 3237 1 5 . 1 1 119 119 GLY C C 549 173.841 173.841 173.666 0.175 18053 3238 1 5 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.609 0.846 18053 3239 1 5 . 1 1 119 119 GLY H H 549 7.738 7.738 7.672 0.066 18053 3240 1 5 . 1 1 120 120 GLU N N 550 121.196 121.196 121.124 0.072 18053 3241 1 5 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.259 -0.147 18053 3242 1 5 . 1 1 120 120 GLU C C 550 175.588 175.588 175.879 -0.291 18053 3243 1 5 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.813 -0.982 18053 3244 1 5 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.180 -0.242 18053 3245 1 5 . 1 1 120 120 GLU H H 550 7.587 7.587 7.709 -0.122 18053 3246 1 5 . 1 1 121 121 GLU N N 551 123.886 123.886 124.805 -0.919 18053 3247 1 5 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.315 -0.039 18053 3248 1 5 . 1 1 121 121 GLU C C 551 176.817 176.817 175.745 1.072 18053 3249 1 5 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.352 0.444 18053 3250 1 5 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.586 0.369 18053 3251 1 5 . 1 1 121 121 GLU H H 551 8.697 8.697 8.766 -0.069 18053 3252 1 5 . 1 1 122 122 VAL N N 552 120.055 120.055 123.278 -3.223 18053 3253 1 5 . 1 1 122 122 VAL HA H 552 4.364 4.364 3.823 0.541 18053 3254 1 5 . 1 1 122 122 VAL C C 552 175.998 175.998 175.473 0.525 18053 3255 1 5 . 1 1 122 122 VAL CA C 552 61.655 61.655 64.041 -2.386 18053 3256 1 5 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.799 0.250 18053 3257 1 5 . 1 1 122 122 VAL H H 552 8.845 8.845 8.136 0.709 18053 3258 1 5 . 1 1 123 123 ALA N N 553 122.098 122.098 120.089 2.009 18053 3259 1 5 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.766 0.124 18053 3260 1 5 . 1 1 123 123 ALA C C 553 175.261 175.261 175.020 0.241 18053 3261 1 5 . 1 1 123 123 ALA CA C 553 52.757 52.757 50.776 1.981 18053 3262 1 5 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.020 0.247 18053 3263 1 5 . 1 1 123 123 ALA H H 553 7.788 7.788 7.726 0.062 18053 3264 1 5 . 1 1 124 124 MET N N 554 118.217 118.217 120.746 -2.529 18053 3265 1 5 . 1 1 124 124 MET HA H 554 5.286 5.286 4.961 0.325 18053 3266 1 5 . 1 1 124 124 MET C C 554 174.428 174.428 174.428 0.000 18053 3267 1 5 . 1 1 124 124 MET CA C 554 55.104 55.104 55.805 -0.701 18053 3268 1 5 . 1 1 124 124 MET CB C 554 35.342 35.342 36.636 -1.294 18053 3269 1 5 . 1 1 124 124 MET H H 554 8.693 8.693 8.601 0.092 18053 3270 1 5 . 1 1 125 125 ARG N N 555 122.132 122.132 126.823 -4.691 18053 3271 1 5 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.830 0.070 18053 3272 1 5 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.306 1.082 18053 3273 1 5 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.107 1.271 18053 3274 1 5 . 1 1 125 125 ARG H H 555 8.919 8.919 8.951 -0.032 18053 3275 1 5 . 1 1 126 126 THR HA H 556 4.685 4.685 4.432 0.253 18053 3276 1 5 . 1 1 126 126 THR C C 556 172.436 172.436 173.676 -1.240 18053 3277 1 5 . 1 1 126 126 THR CA C 556 61.382 61.382 63.239 -1.857 18053 3278 1 5 . 1 1 126 126 THR CB C 556 70.444 70.444 69.268 1.176 18053 3279 1 5 . 1 1 127 127 VAL N N 557 124.976 124.976 129.955 -4.979 18053 3280 1 5 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.141 0.005 18053 3281 1 5 . 1 1 127 127 VAL C C 557 173.937 173.937 174.059 -0.122 18053 3282 1 5 . 1 1 127 127 VAL CA C 557 61.109 61.109 61.157 -0.048 18053 3283 1 5 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.034 0.725 18053 3284 1 5 . 1 1 127 127 VAL H H 557 8.127 8.127 8.569 -0.442 18053 3285 1 5 . 1 1 128 128 LYS N N 558 125.384 125.384 127.582 -2.198 18053 3286 1 5 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.368 0.338 18053 3287 1 5 . 1 1 128 128 LYS C C 558 175.534 175.534 176.178 -0.644 18053 3288 1 5 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.183 0.703 18053 3289 1 5 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.388 1.285 18053 3290 1 5 . 1 1 128 128 LYS H H 558 8.289 8.289 8.643 -0.354 18053 3291 1 5 . 1 1 129 129 LYS N N 559 124.005 124.005 126.394 -2.389 18053 3292 1 5 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.045 0.265 18053 3293 1 5 . 1 1 129 129 LYS C C 559 176.571 176.571 175.636 0.935 18053 3294 1 5 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.277 -0.535 18053 3295 1 5 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.938 1.424 18053 3296 1 5 . 1 1 129 129 LYS H H 559 8.461 8.461 7.985 0.476 18053 3297 1 5 . 1 1 130 130 SER N N 560 117.195 117.195 122.235 -5.040 18053 3298 1 5 . 1 1 130 130 SER HA H 560 4.384 4.384 4.596 -0.212 18053 3299 1 5 . 1 1 130 130 SER C C 560 174.565 174.565 173.332 1.233 18053 3300 1 5 . 1 1 130 130 SER CA C 560 58.434 58.434 57.194 1.240 18053 3301 1 5 . 1 1 130 130 SER CB C 560 63.812 63.812 65.154 -1.342 18053 3302 1 5 . 1 1 130 130 SER H H 560 8.465 8.465 8.018 0.447 18053 3303 1 5 . 1 1 131 131 SER N N 561 118.149 118.149 122.642 -4.493 18053 3304 1 5 . 1 1 131 131 SER HA H 561 4.412 4.412 4.348 0.064 18053 3305 1 5 . 1 1 131 131 SER C C 561 174.456 174.456 174.415 0.041 18053 3306 1 5 . 1 1 131 131 SER CA C 561 58.489 58.489 59.792 -1.303 18053 3307 1 5 . 1 1 131 131 SER CB C 561 63.811 63.811 63.207 0.604 18053 3308 1 5 . 1 1 131 131 SER H H 561 8.336 8.336 8.847 -0.511 18053 3309 1 5 . 1 1 132 132 VAL N N 562 121.332 121.332 125.170 -3.838 18053 3310 1 5 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.149 -0.114 18053 3311 1 5 . 1 1 132 132 VAL C C 562 176.066 176.066 174.701 1.365 18053 3312 1 5 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.171 0.275 18053 3313 1 5 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.968 -0.573 18053 3314 1 5 . 1 1 132 132 VAL H H 562 7.982 7.982 8.267 -0.285 18053 3315 1 5 . 1 1 133 133 MET N N 563 124.022 124.022 119.501 4.521 18053 3316 1 5 . 1 1 133 133 MET HA H 563 4.385 4.385 4.526 -0.141 18053 3317 1 5 . 1 1 133 133 MET C C 563 176.039 176.039 175.979 0.060 18053 3318 1 5 . 1 1 133 133 MET CA C 563 55.350 55.350 55.776 -0.426 18053 3319 1 5 . 1 1 133 133 MET CB C 563 32.503 32.503 31.932 0.571 18053 3320 1 5 . 1 1 133 133 MET H H 563 8.295 8.295 7.730 0.565 18053 3321 1 5 . 1 1 134 134 ARG N N 564 122.677 122.677 123.878 -1.201 18053 3322 1 5 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.539 -0.277 18053 3323 1 5 . 1 1 134 134 ARG C C 564 176.298 176.298 175.729 0.569 18053 3324 1 5 . 1 1 134 134 ARG CA C 564 56.087 56.087 54.826 1.261 18053 3325 1 5 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.567 -0.865 18053 3326 1 5 . 1 1 134 134 ARG H H 564 8.295 8.295 8.479 -0.184 18053 3327 1 5 . 1 1 135 135 GLU N N 565 121.945 121.945 122.005 -0.060 18053 3328 1 5 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.250 -0.090 18053 3329 1 5 . 1 1 135 135 GLU C C 565 176.080 176.080 175.583 0.497 18053 3330 1 5 . 1 1 135 135 GLU CA C 565 56.906 56.906 57.348 -0.442 18053 3331 1 5 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.778 0.996 18053 3332 1 5 . 1 1 135 135 GLU H H 565 8.470 8.470 8.572 -0.102 18053 3333 1 5 . 1 1 136 136 ASN N N 566 118.761 118.761 124.246 -5.485 18053 3334 1 5 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.724 -0.107 18053 3335 1 5 . 1 1 136 136 ASN C C 566 175.315 175.315 174.713 0.602 18053 3336 1 5 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.832 -0.639 18053 3337 1 5 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.799 0.037 18053 3338 1 5 . 1 1 136 136 ASN H H 566 8.341 8.341 8.257 0.084 18053 3339 1 5 . 1 1 137 137 GLU N N 567 121.349 121.349 122.347 -0.998 18053 3340 1 5 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.243 -0.091 18053 3341 1 5 . 1 1 137 137 GLU C C 567 176.243 176.243 176.665 -0.422 18053 3342 1 5 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.845 -0.939 18053 3343 1 5 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.127 -0.135 18053 3344 1 5 . 1 1 137 137 GLU H H 567 8.349 8.349 8.427 -0.078 18053 3345 1 5 . 1 1 138 138 ASN N N 568 118.761 118.761 118.077 0.684 18053 3346 1 5 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.767 -0.055 18053 3347 1 5 . 1 1 138 138 ASN C C 568 174.551 174.551 174.402 0.149 18053 3348 1 5 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.056 0.137 18053 3349 1 5 . 1 1 138 138 ASN CB C 568 39.327 39.327 39.590 -0.263 18053 3350 1 5 . 1 1 138 138 ASN H H 568 8.397 8.397 7.854 0.543 18053 3351 1 6 . 1 1 20 20 ALA N N 450 125.180 125.180 126.352 -1.172 18053 3352 1 6 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.598 0.108 18053 3353 1 6 . 1 1 20 20 ALA C C 450 177.226 177.226 176.849 0.377 18053 3354 1 6 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.303 0.454 18053 3355 1 6 . 1 1 20 20 ALA CB C 450 20.411 20.411 20.169 0.242 18053 3356 1 6 . 1 1 20 20 ALA H H 450 8.484 8.484 7.913 0.571 18053 3357 1 6 . 1 1 21 21 SER N N 451 115.714 115.714 121.727 -6.013 18053 3358 1 6 . 1 1 21 21 SER HA H 451 4.513 4.513 4.500 0.013 18053 3359 1 6 . 1 1 21 21 SER C C 451 174.742 174.742 175.711 -0.969 18053 3360 1 6 . 1 1 21 21 SER CA C 451 58.516 58.516 58.349 0.167 18053 3361 1 6 . 1 1 21 21 SER CB C 451 64.159 64.159 62.511 1.648 18053 3362 1 6 . 1 1 21 21 SER H H 451 8.487 8.487 8.773 -0.286 18053 3363 1 6 . 1 1 22 22 GLY N N 452 111.509 111.509 113.383 -1.874 18053 3364 1 6 . 1 1 22 22 GLY C C 452 174.401 174.401 174.835 -0.434 18053 3365 1 6 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.878 -0.819 18053 3366 1 6 . 1 1 22 22 GLY H H 452 8.198 8.198 8.343 -0.145 18053 3367 1 6 . 1 1 23 23 SER N N 453 116.191 116.191 113.629 2.562 18053 3368 1 6 . 1 1 23 23 SER HA H 453 4.364 4.364 4.091 0.273 18053 3369 1 6 . 1 1 23 23 SER C C 453 173.432 173.432 173.212 0.220 18053 3370 1 6 . 1 1 23 23 SER CA C 453 59.744 59.744 59.080 0.664 18053 3371 1 6 . 1 1 23 23 SER CB C 453 64.335 64.335 63.079 1.256 18053 3372 1 6 . 1 1 23 23 SER H H 453 8.494 8.494 8.286 0.208 18053 3373 1 6 . 1 1 24 24 VAL N N 454 121.656 121.656 118.681 2.975 18053 3374 1 6 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.736 0.299 18053 3375 1 6 . 1 1 24 24 VAL C C 454 174.606 174.606 175.670 -1.064 18053 3376 1 6 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.319 -0.264 18053 3377 1 6 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.000 -0.497 18053 3378 1 6 . 1 1 24 24 VAL H H 454 7.830 7.830 7.541 0.289 18053 3379 1 6 . 1 1 25 25 SER N N 455 119.323 119.323 122.339 -3.016 18053 3380 1 6 . 1 1 25 25 SER HA H 455 4.672 4.672 4.818 -0.146 18053 3381 1 6 . 1 1 25 25 SER C C 455 174.426 174.426 173.896 0.530 18053 3382 1 6 . 1 1 25 25 SER CA C 455 55.268 55.268 55.774 -0.506 18053 3383 1 6 . 1 1 25 25 SER CB C 455 65.162 65.162 66.155 -0.993 18053 3384 1 6 . 1 1 25 25 SER H H 455 9.065 9.065 8.713 0.352 18053 3385 1 6 . 1 1 26 26 ILE N N 456 119.468 119.468 126.449 -6.981 18053 3386 1 6 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.184 -0.004 18053 3387 1 6 . 1 1 26 26 ILE C C 456 175.506 175.506 175.792 -0.286 18053 3388 1 6 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.989 -0.661 18053 3389 1 6 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.515 0.447 18053 3390 1 6 . 1 1 26 26 ILE H H 456 8.295 8.295 8.759 -0.464 18053 3391 1 6 . 1 1 27 27 GLU N N 457 129.726 129.726 127.748 1.978 18053 3392 1 6 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.340 -0.112 18053 3393 1 6 . 1 1 27 27 GLU C C 457 175.179 175.179 177.016 -1.837 18053 3394 1 6 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.585 -2.153 18053 3395 1 6 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.563 -0.421 18053 3396 1 6 . 1 1 27 27 GLU H H 457 8.393 8.393 8.395 -0.002 18053 3397 1 6 . 1 1 28 28 GLU N N 458 117.076 117.076 118.272 -1.196 18053 3398 1 6 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.582 -0.414 18053 3399 1 6 . 1 1 28 28 GLU C C 458 174.701 174.701 174.836 -0.135 18053 3400 1 6 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.518 1.388 18053 3401 1 6 . 1 1 28 28 GLU CB C 458 31.848 31.848 32.531 -0.683 18053 3402 1 6 . 1 1 28 28 GLU H H 458 7.489 7.489 7.984 -0.495 18053 3403 1 6 . 1 1 29 29 ILE N N 459 122.183 122.183 121.338 0.845 18053 3404 1 6 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.295 -0.531 18053 3405 1 6 . 1 1 29 29 ILE C C 459 174.169 174.169 174.780 -0.611 18053 3406 1 6 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.379 0.147 18053 3407 1 6 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.997 -1.688 18053 3408 1 6 . 1 1 29 29 ILE H H 459 8.126 8.126 8.341 -0.214 18053 3409 1 6 . 1 1 30 30 ASP N N 460 123.205 123.205 123.318 -0.113 18053 3410 1 6 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.225 -0.042 18053 3411 1 6 . 1 1 30 30 ASP C C 460 178.318 178.318 177.708 0.610 18053 3412 1 6 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.874 0.056 18053 3413 1 6 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.439 0.368 18053 3414 1 6 . 1 1 30 30 ASP H H 460 6.704 6.704 7.764 -1.060 18053 3415 1 6 . 1 1 31 31 LEU N N 461 128.551 128.551 119.852 8.699 18053 3416 1 6 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.085 -0.021 18053 3417 1 6 . 1 1 31 31 LEU C C 461 177.513 177.513 177.869 -0.356 18053 3418 1 6 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.035 0.089 18053 3419 1 6 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.246 -0.009 18053 3420 1 6 . 1 1 31 31 LEU H H 461 9.012 9.012 8.542 0.470 18053 3421 1 6 . 1 1 32 32 GLU N N 462 115.101 115.101 118.053 -2.952 18053 3422 1 6 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.729 -0.446 18053 3423 1 6 . 1 1 32 32 GLU C C 462 177.062 177.062 176.826 0.236 18053 3424 1 6 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.261 -0.502 18053 3425 1 6 . 1 1 32 32 GLU CB C 462 29.569 29.569 32.245 -2.676 18053 3426 1 6 . 1 1 32 32 GLU H H 462 7.588 7.588 8.523 -0.935 18053 3427 1 6 . 1 1 33 33 GLY N N 463 106.299 106.299 106.811 -0.512 18053 3428 1 6 . 1 1 33 33 GLY C C 463 174.824 174.824 174.782 0.042 18053 3429 1 6 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.957 1.849 18053 3430 1 6 . 1 1 33 33 GLY H H 463 7.372 7.372 8.235 -0.863 18053 3431 1 6 . 1 1 34 34 LYS N N 464 118.744 118.744 119.525 -0.781 18053 3432 1 6 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.410 0.152 18053 3433 1 6 . 1 1 34 34 LYS C C 464 177.076 177.076 175.250 1.826 18053 3434 1 6 . 1 1 34 34 LYS CA C 464 59.963 59.963 58.012 1.951 18053 3435 1 6 . 1 1 34 34 LYS CB C 464 33.111 33.111 32.878 0.233 18053 3436 1 6 . 1 1 34 34 LYS H H 464 9.547 9.547 7.970 1.577 18053 3437 1 6 . 1 1 35 35 PHE N N 465 109.125 109.125 112.121 -2.996 18053 3438 1 6 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.629 -0.115 18053 3439 1 6 . 1 1 35 35 PHE C C 465 174.183 174.183 172.965 1.218 18053 3440 1 6 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.738 0.894 18053 3441 1 6 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.245 -0.646 18053 3442 1 6 . 1 1 35 35 PHE H H 465 6.740 6.740 7.191 -0.451 18053 3443 1 6 . 1 1 36 36 VAL N N 466 119.579 119.579 120.265 -0.686 18053 3444 1 6 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.440 -0.731 18053 3445 1 6 . 1 1 36 36 VAL C C 466 172.668 172.668 174.303 -1.635 18053 3446 1 6 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.221 1.470 18053 3447 1 6 . 1 1 36 36 VAL CB C 466 36.215 36.215 35.082 1.133 18053 3448 1 6 . 1 1 36 36 VAL H H 466 7.628 7.628 8.849 -1.221 18053 3449 1 6 . 1 1 37 37 GLN N N 467 126.831 126.831 128.351 -1.520 18053 3450 1 6 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.644 0.805 18053 3451 1 6 . 1 1 37 37 GLN C C 467 174.797 174.797 174.723 0.074 18053 3452 1 6 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.892 -0.771 18053 3453 1 6 . 1 1 37 37 GLN CB C 467 34.623 34.623 28.832 5.791 18053 3454 1 6 . 1 1 37 37 GLN H H 467 8.392 8.392 8.505 -0.113 18053 3455 1 6 . 1 1 38 38 LEU N N 468 123.018 123.018 127.457 -4.439 18053 3456 1 6 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.083 0.339 18053 3457 1 6 . 1 1 38 38 LEU C C 468 175.588 175.588 176.654 -1.066 18053 3458 1 6 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.050 -1.348 18053 3459 1 6 . 1 1 38 38 LEU CB C 468 45.046 45.046 43.907 1.139 18053 3460 1 6 . 1 1 38 38 LEU H H 468 9.103 9.103 8.861 0.242 18053 3461 1 6 . 1 1 39 39 LYS N N 469 118.983 118.983 120.214 -1.231 18053 3462 1 6 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.749 0.103 18053 3463 1 6 . 1 1 39 39 LYS C C 469 173.309 173.309 174.252 -0.943 18053 3464 1 6 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.739 0.256 18053 3465 1 6 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.394 1.852 18053 3466 1 6 . 1 1 39 39 LYS H H 469 8.496 8.496 8.621 -0.125 18053 3467 1 6 . 1 1 40 40 ASN N N 470 121.758 121.758 124.924 -3.166 18053 3468 1 6 . 1 1 40 40 ASN HA H 470 4.788 4.788 5.010 -0.222 18053 3469 1 6 . 1 1 40 40 ASN C C 470 174.496 174.496 175.297 -0.801 18053 3470 1 6 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.186 -1.067 18053 3471 1 6 . 1 1 40 40 ASN CB C 470 37.559 37.559 38.598 -1.039 18053 3472 1 6 . 1 1 40 40 ASN H H 470 8.283 8.283 8.465 -0.182 18053 3473 1 6 . 1 1 41 41 ASN N N 471 122.422 122.422 122.587 -0.165 18053 3474 1 6 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.604 -0.016 18053 3475 1 6 . 1 1 41 41 ASN C C 471 174.810 174.810 175.651 -0.841 18053 3476 1 6 . 1 1 41 41 ASN CA C 471 53.985 53.985 54.545 -0.560 18053 3477 1 6 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.742 0.858 18053 3478 1 6 . 1 1 41 41 ASN H H 471 8.681 8.681 8.348 0.333 18053 3479 1 6 . 1 1 42 42 SER N N 472 116.446 116.446 115.316 1.130 18053 3480 1 6 . 1 1 42 42 SER HA H 472 4.719 4.719 4.374 0.345 18053 3481 1 6 . 1 1 42 42 SER C C 472 172.804 172.804 174.650 -1.846 18053 3482 1 6 . 1 1 42 42 SER CA C 472 57.288 57.288 58.072 -0.784 18053 3483 1 6 . 1 1 42 42 SER CB C 472 66.241 66.241 64.488 1.753 18053 3484 1 6 . 1 1 42 42 SER H H 472 8.370 8.370 7.626 0.744 18053 3485 1 6 . 1 1 43 43 ASP N N 473 117.706 117.706 126.169 -8.463 18053 3486 1 6 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.585 -0.111 18053 3487 1 6 . 1 1 43 43 ASP C C 473 175.343 175.343 175.509 -0.166 18053 3488 1 6 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.076 -1.555 18053 3489 1 6 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.746 -0.424 18053 3490 1 6 . 1 1 43 43 ASP H H 473 8.254 8.254 8.746 -0.492 18053 3491 1 6 . 1 1 44 44 LYS N N 474 120.209 120.209 118.712 1.497 18053 3492 1 6 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.578 -0.009 18053 3493 1 6 . 1 1 44 44 LYS C C 474 175.397 175.397 175.054 0.343 18053 3494 1 6 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.267 -0.255 18053 3495 1 6 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.453 0.930 18053 3496 1 6 . 1 1 44 44 LYS H H 474 8.305 8.305 7.389 0.916 18053 3497 1 6 . 1 1 45 45 ASP N N 475 124.993 124.993 120.169 4.824 18053 3498 1 6 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.438 -0.463 18053 3499 1 6 . 1 1 45 45 ASP C C 475 174.810 174.810 176.239 -1.429 18053 3500 1 6 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.666 -0.671 18053 3501 1 6 . 1 1 45 45 ASP CB C 475 40.364 40.364 41.316 -0.952 18053 3502 1 6 . 1 1 45 45 ASP H H 475 8.722 8.722 8.505 0.217 18053 3503 1 6 . 1 1 46 46 GLN N N 476 120.549 120.549 120.764 -0.215 18053 3504 1 6 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.504 -0.068 18053 3505 1 6 . 1 1 46 46 GLN C C 476 174.019 174.019 174.479 -0.460 18053 3506 1 6 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.144 -1.006 18053 3507 1 6 . 1 1 46 46 GLN CB C 476 31.466 31.466 31.535 -0.069 18053 3508 1 6 . 1 1 46 46 GLN H H 476 7.878 7.878 8.504 -0.626 18053 3509 1 6 . 1 1 47 47 SER N N 477 121.537 121.537 121.354 0.183 18053 3510 1 6 . 1 1 47 47 SER HA H 477 4.229 4.229 4.256 -0.027 18053 3511 1 6 . 1 1 47 47 SER C C 477 174.565 174.565 174.228 0.337 18053 3512 1 6 . 1 1 47 47 SER CA C 477 58.706 58.706 58.563 0.143 18053 3513 1 6 . 1 1 47 47 SER CB C 477 62.965 62.965 62.725 0.240 18053 3514 1 6 . 1 1 47 47 SER H H 477 8.748 8.748 8.606 0.142 18053 3515 1 6 . 1 1 48 48 LEU N N 478 127.751 127.751 125.687 2.064 18053 3516 1 6 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.317 -1.686 18053 3517 1 6 . 1 1 48 48 LEU C C 478 176.789 176.789 177.389 -0.600 18053 3518 1 6 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.515 -2.413 18053 3519 1 6 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.370 -1.027 18053 3520 1 6 . 1 1 48 48 LEU H H 478 7.856 7.856 7.399 0.457 18053 3521 1 6 . 1 1 49 49 GLY N N 479 107.525 107.525 108.809 -1.284 18053 3522 1 6 . 1 1 49 49 GLY C C 479 176.653 176.653 175.308 1.345 18053 3523 1 6 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.981 2.081 18053 3524 1 6 . 1 1 49 49 GLY H H 479 7.728 7.728 8.722 -0.994 18053 3525 1 6 . 1 1 50 50 ASN N N 480 117.059 117.059 120.351 -3.292 18053 3526 1 6 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.575 -0.320 18053 3527 1 6 . 1 1 50 50 ASN C C 480 174.961 174.961 175.271 -0.310 18053 3528 1 6 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.250 2.110 18053 3529 1 6 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.923 -1.507 18053 3530 1 6 . 1 1 50 50 ASN H H 480 7.552 7.552 8.796 -1.244 18053 3531 1 6 . 1 1 51 51 TRP N N 481 122.166 122.166 118.400 3.766 18053 3532 1 6 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.831 -0.354 18053 3533 1 6 . 1 1 51 51 TRP C C 481 175.575 175.575 175.911 -0.336 18053 3534 1 6 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.733 0.029 18053 3535 1 6 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.837 -1.796 18053 3536 1 6 . 1 1 51 51 TRP H H 481 8.914 8.914 7.939 0.975 18053 3537 1 6 . 1 1 52 52 ARG N N 482 116.480 116.480 118.334 -1.854 18053 3538 1 6 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.293 0.675 18053 3539 1 6 . 1 1 52 52 ARG C C 482 175.807 175.807 175.260 0.547 18053 3540 1 6 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.858 -0.737 18053 3541 1 6 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.251 1.873 18053 3542 1 6 . 1 1 52 52 ARG H H 482 9.147 9.147 8.940 0.207 18053 3543 1 6 . 1 1 53 53 ILE N N 483 119.579 119.579 126.462 -6.883 18053 3544 1 6 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.897 0.088 18053 3545 1 6 . 1 1 53 53 ILE C C 483 175.670 175.670 175.986 -0.316 18053 3546 1 6 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.891 -0.490 18053 3547 1 6 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.435 1.792 18053 3548 1 6 . 1 1 53 53 ILE H H 483 9.000 9.000 8.825 0.175 18053 3549 1 6 . 1 1 54 54 LYS N N 484 124.737 124.737 129.234 -4.497 18053 3550 1 6 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.723 0.740 18053 3551 1 6 . 1 1 54 54 LYS C C 484 175.575 175.575 175.971 -0.396 18053 3552 1 6 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.647 -2.034 18053 3553 1 6 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.084 1.958 18053 3554 1 6 . 1 1 54 54 LYS H H 484 9.678 9.678 8.639 1.039 18053 3555 1 6 . 1 1 55 55 ARG N N 485 124.090 124.090 125.606 -1.516 18053 3556 1 6 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.921 0.604 18053 3557 1 6 . 1 1 55 55 ARG C C 485 174.155 174.155 174.728 -0.573 18053 3558 1 6 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.002 -0.099 18053 3559 1 6 . 1 1 55 55 ARG H H 485 9.314 9.314 8.692 0.622 18053 3560 1 6 . 1 1 56 56 GLN N N 486 126.576 126.576 125.529 1.047 18053 3561 1 6 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.923 -0.081 18053 3562 1 6 . 1 1 56 56 GLN C C 486 174.991 174.991 173.932 1.059 18053 3563 1 6 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.425 0.406 18053 3564 1 6 . 1 1 56 56 GLN CB C 486 31.465 31.465 31.727 -0.262 18053 3565 1 6 . 1 1 56 56 GLN H H 486 8.831 8.831 8.231 0.600 18053 3566 1 6 . 1 1 57 57 VAL N N 487 126.712 126.712 125.272 1.440 18053 3567 1 6 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.332 -0.066 18053 3568 1 6 . 1 1 57 57 VAL C C 487 175.916 175.916 177.267 -1.351 18053 3569 1 6 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.079 0.741 18053 3570 1 6 . 1 1 57 57 VAL CB C 487 32.803 32.803 33.497 -0.694 18053 3571 1 6 . 1 1 57 57 VAL H H 487 8.786 8.786 8.563 0.223 18053 3572 1 6 . 1 1 58 58 LEU N N 488 127.274 127.274 124.628 2.646 18053 3573 1 6 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.276 -0.191 18053 3574 1 6 . 1 1 58 58 LEU C C 488 177.158 177.158 178.396 -1.238 18053 3575 1 6 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.533 -0.628 18053 3576 1 6 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.660 -0.286 18053 3577 1 6 . 1 1 58 58 LEU H H 488 8.316 8.316 8.405 -0.089 18053 3578 1 6 . 1 1 59 59 GLU N N 489 119.647 119.647 118.603 1.044 18053 3579 1 6 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.176 -0.064 18053 3580 1 6 . 1 1 59 59 GLU C C 489 176.230 176.230 177.261 -1.031 18053 3581 1 6 . 1 1 59 59 GLU CA C 489 57.015 57.015 57.339 -0.324 18053 3582 1 6 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.616 -1.467 18053 3583 1 6 . 1 1 59 59 GLU H H 489 8.636 8.636 8.437 0.199 18053 3584 1 6 . 1 1 60 60 GLY N N 490 108.819 108.819 106.372 2.447 18053 3585 1 6 . 1 1 60 60 GLY C C 490 173.568 173.568 173.784 -0.216 18053 3586 1 6 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.773 0.000 18053 3587 1 6 . 1 1 60 60 GLY H H 490 8.160 8.160 7.739 0.421 18053 3588 1 6 . 1 1 61 61 GLU N N 491 121.009 121.009 123.335 -2.326 18053 3589 1 6 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.176 0.147 18053 3590 1 6 . 1 1 61 61 GLU C C 491 175.725 175.725 175.547 0.178 18053 3591 1 6 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.543 -0.347 18053 3592 1 6 . 1 1 61 61 GLU CB C 491 30.865 30.865 28.865 2.000 18053 3593 1 6 . 1 1 61 61 GLU H H 491 8.320 8.320 8.404 -0.084 18053 3594 1 6 . 1 1 62 62 GLU N N 492 123.426 123.426 124.208 -0.782 18053 3595 1 6 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.458 -0.404 18053 3596 1 6 . 1 1 62 62 GLU C C 492 175.930 175.930 175.896 0.034 18053 3597 1 6 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.833 0.817 18053 3598 1 6 . 1 1 62 62 GLU CB C 492 32.312 32.312 31.196 1.116 18053 3599 1 6 . 1 1 62 62 GLU H H 492 8.594 8.594 8.436 0.158 18053 3600 1 6 . 1 1 63 63 ILE N N 493 119.732 119.732 118.366 1.366 18053 3601 1 6 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.895 -0.107 18053 3602 1 6 . 1 1 63 63 ILE C C 493 174.647 174.647 174.145 0.502 18053 3603 1 6 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.298 0.883 18053 3604 1 6 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.949 -0.766 18053 3605 1 6 . 1 1 63 63 ILE H H 493 8.523 8.523 8.517 0.006 18053 3606 1 6 . 1 1 64 64 ALA N N 494 122.166 122.166 122.770 -0.604 18053 3607 1 6 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.186 0.335 18053 3608 1 6 . 1 1 64 64 ALA C C 494 174.606 174.606 176.088 -1.482 18053 3609 1 6 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.701 -0.173 18053 3610 1 6 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.928 1.311 18053 3611 1 6 . 1 1 64 64 ALA H H 494 8.741 8.741 8.510 0.231 18053 3612 1 6 . 1 1 65 65 TYR N N 495 126.729 126.729 126.787 -0.058 18053 3613 1 6 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.728 -0.634 18053 3614 1 6 . 1 1 65 65 TYR C C 495 173.036 173.036 174.023 -0.987 18053 3615 1 6 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.574 0.331 18053 3616 1 6 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.585 1.684 18053 3617 1 6 . 1 1 65 65 TYR H H 495 8.462 8.462 8.681 -0.219 18053 3618 1 6 . 1 1 66 66 LYS N N 496 128.108 128.108 125.909 2.199 18053 3619 1 6 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.698 0.124 18053 3620 1 6 . 1 1 66 66 LYS C C 496 174.906 174.906 174.911 -0.005 18053 3621 1 6 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.024 -1.285 18053 3622 1 6 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.289 1.493 18053 3623 1 6 . 1 1 66 66 LYS H H 496 7.010 7.010 7.505 -0.495 18053 3624 1 6 . 1 1 67 67 PHE N N 497 125.299 125.299 121.501 3.798 18053 3625 1 6 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.250 -0.318 18053 3626 1 6 . 1 1 67 67 PHE C C 497 177.990 177.990 175.329 2.661 18053 3627 1 6 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.321 1.686 18053 3628 1 6 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.796 0.185 18053 3629 1 6 . 1 1 67 67 PHE H H 497 8.509 8.509 8.307 0.202 18053 3630 1 6 . 1 1 68 68 THR N N 498 116.191 116.191 111.439 4.752 18053 3631 1 6 . 1 1 68 68 THR HA H 498 4.417 4.417 4.636 -0.219 18053 3632 1 6 . 1 1 68 68 THR CA C 498 60.855 60.855 59.210 1.645 18053 3633 1 6 . 1 1 68 68 THR CB C 498 68.019 68.019 69.427 -1.408 18053 3634 1 6 . 1 1 68 68 THR H H 498 8.688 8.688 8.382 0.306 18053 3635 1 6 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.929 -0.981 18053 3636 1 6 . 1 1 69 69 PRO C C 499 177.444 177.444 176.501 0.943 18053 3637 1 6 . 1 1 69 69 PRO CA C 499 66.077 66.077 63.551 2.526 18053 3638 1 6 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.972 0.804 18053 3639 1 6 . 1 1 70 70 LYS N N 500 113.552 113.552 116.171 -2.619 18053 3640 1 6 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.276 0.109 18053 3641 1 6 . 1 1 70 70 LYS C C 500 176.325 176.325 175.759 0.566 18053 3642 1 6 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.072 -1.077 18053 3643 1 6 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.621 -0.828 18053 3644 1 6 . 1 1 70 70 LYS H H 500 8.016 8.016 8.072 -0.056 18053 3645 1 6 . 1 1 71 71 TYR N N 501 121.860 121.860 122.600 -0.740 18053 3646 1 6 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.446 -0.716 18053 3647 1 6 . 1 1 71 71 TYR C C 501 174.838 174.838 173.725 1.113 18053 3648 1 6 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.373 3.937 18053 3649 1 6 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.043 -0.262 18053 3650 1 6 . 1 1 71 71 TYR H H 501 7.460 7.460 7.648 -0.188 18053 3651 1 6 . 1 1 72 72 ILE N N 502 129.487 129.487 127.671 1.816 18053 3652 1 6 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.144 -0.216 18053 3653 1 6 . 1 1 72 72 ILE C C 502 172.968 172.968 173.829 -0.861 18053 3654 1 6 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.686 -0.378 18053 3655 1 6 . 1 1 72 72 ILE CB C 502 40.910 40.910 39.821 1.089 18053 3656 1 6 . 1 1 72 72 ILE H H 502 7.168 7.168 8.278 -1.110 18053 3657 1 6 . 1 1 73 73 LEU N N 503 128.278 128.278 127.852 0.426 18053 3658 1 6 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.235 0.258 18053 3659 1 6 . 1 1 73 73 LEU C C 503 175.834 175.834 175.346 0.488 18053 3660 1 6 . 1 1 73 73 LEU CA C 503 51.965 51.965 54.326 -2.361 18053 3661 1 6 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.403 -0.855 18053 3662 1 6 . 1 1 73 73 LEU H H 503 8.483 8.483 8.087 0.396 18053 3663 1 6 . 1 1 74 74 ARG N N 504 129.589 129.589 124.283 5.306 18053 3664 1 6 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.745 -1.002 18053 3665 1 6 . 1 1 74 74 ARG C C 504 175.233 175.233 176.148 -0.915 18053 3666 1 6 . 1 1 74 74 ARG CA C 504 56.851 56.851 54.481 2.370 18053 3667 1 6 . 1 1 74 74 ARG CB C 504 30.292 30.292 31.303 -1.011 18053 3668 1 6 . 1 1 74 74 ARG H H 504 8.673 8.673 8.304 0.369 18053 3669 1 6 . 1 1 75 75 ALA N N 505 123.205 123.205 123.091 0.114 18053 3670 1 6 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.144 -0.622 18053 3671 1 6 . 1 1 75 75 ALA C C 505 178.441 178.441 178.265 0.176 18053 3672 1 6 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.159 0.635 18053 3673 1 6 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.575 0.335 18053 3674 1 6 . 1 1 75 75 ALA H H 505 8.564 8.564 8.434 0.130 18053 3675 1 6 . 1 1 76 76 GLY N N 506 112.241 112.241 114.150 -1.909 18053 3676 1 6 . 1 1 76 76 GLY C C 506 174.278 174.278 174.727 -0.449 18053 3677 1 6 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.885 0.840 18053 3678 1 6 . 1 1 76 76 GLY H H 506 7.381 7.381 8.562 -1.181 18053 3679 1 6 . 1 1 77 77 GLN N N 507 117.382 117.382 119.037 -1.655 18053 3680 1 6 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.680 -0.316 18053 3681 1 6 . 1 1 77 77 GLN C C 507 173.937 173.937 174.652 -0.715 18053 3682 1 6 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.220 0.338 18053 3683 1 6 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.959 -0.885 18053 3684 1 6 . 1 1 77 77 GLN H H 507 7.996 7.996 7.563 0.433 18053 3685 1 6 . 1 1 78 78 MET N N 508 116.957 116.957 114.996 1.961 18053 3686 1 6 . 1 1 78 78 MET HA H 508 5.388 5.388 4.786 0.602 18053 3687 1 6 . 1 1 78 78 MET C C 508 175.807 175.807 173.542 2.265 18053 3688 1 6 . 1 1 78 78 MET CA C 508 54.067 54.067 54.975 -0.908 18053 3689 1 6 . 1 1 78 78 MET CB C 508 37.198 37.198 36.449 0.750 18053 3690 1 6 . 1 1 78 78 MET H H 508 8.092 8.092 8.215 -0.123 18053 3691 1 6 . 1 1 79 79 VAL N N 509 119.340 119.340 120.654 -1.314 18053 3692 1 6 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.861 0.095 18053 3693 1 6 . 1 1 79 79 VAL C C 509 172.217 172.217 174.334 -2.117 18053 3694 1 6 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.913 -1.442 18053 3695 1 6 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.561 -1.885 18053 3696 1 6 . 1 1 79 79 VAL H H 509 8.534 8.534 8.439 0.095 18053 3697 1 6 . 1 1 80 80 THR N N 510 124.533 124.533 126.494 -1.961 18053 3698 1 6 . 1 1 80 80 THR HA H 510 4.586 4.586 4.905 -0.320 18053 3699 1 6 . 1 1 80 80 THR C C 510 172.215 172.215 173.982 -1.767 18053 3700 1 6 . 1 1 80 80 THR CA C 510 62.119 62.119 61.980 0.139 18053 3701 1 6 . 1 1 80 80 THR CB C 510 69.407 69.407 69.210 0.197 18053 3702 1 6 . 1 1 80 80 THR H H 510 8.301 8.301 8.821 -0.520 18053 3703 1 6 . 1 1 81 81 VAL N N 511 127.002 127.002 128.600 -1.598 18053 3704 1 6 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.741 -0.145 18053 3705 1 6 . 1 1 81 81 VAL C C 511 176.667 176.667 175.603 1.064 18053 3706 1 6 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.809 -1.427 18053 3707 1 6 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.485 -0.540 18053 3708 1 6 . 1 1 81 81 VAL H H 511 8.796 8.796 8.728 0.068 18053 3709 1 6 . 1 1 82 82 TRP N N 512 131.479 131.479 129.405 2.074 18053 3710 1 6 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.458 -0.120 18053 3711 1 6 . 1 1 82 82 TRP C C 512 176.885 176.885 175.448 1.437 18053 3712 1 6 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.565 -0.123 18053 3713 1 6 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.867 -1.166 18053 3714 1 6 . 1 1 82 82 TRP H H 512 9.924 9.924 8.681 1.243 18053 3715 1 6 . 1 1 83 83 ALA N N 513 123.954 123.954 120.205 3.749 18053 3716 1 6 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.676 -0.368 18053 3717 1 6 . 1 1 83 83 ALA C C 513 178.140 178.140 176.702 1.438 18053 3718 1 6 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.032 2.179 18053 3719 1 6 . 1 1 83 83 ALA CB C 513 18.745 18.745 21.427 -2.682 18053 3720 1 6 . 1 1 83 83 ALA H H 513 9.048 9.048 8.523 0.525 18053 3721 1 6 . 1 1 84 84 ALA N N 514 125.146 125.146 123.050 2.096 18053 3722 1 6 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.196 -0.245 18053 3723 1 6 . 1 1 84 84 ALA C C 514 179.519 179.519 179.511 0.008 18053 3724 1 6 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.536 0.268 18053 3725 1 6 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.240 -0.658 18053 3726 1 6 . 1 1 84 84 ALA H H 514 8.341 8.341 8.065 0.276 18053 3727 1 6 . 1 1 85 85 GLY N N 515 103.388 103.388 105.707 -2.319 18053 3728 1 6 . 1 1 85 85 GLY C C 515 174.674 174.674 174.802 -0.128 18053 3729 1 6 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.489 0.389 18053 3730 1 6 . 1 1 85 85 GLY H H 515 7.996 7.996 7.963 0.033 18053 3731 1 6 . 1 1 86 86 ALA N N 516 120.140 120.140 123.240 -3.100 18053 3732 1 6 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.481 -0.137 18053 3733 1 6 . 1 1 86 86 ALA C C 516 177.690 177.690 177.861 -0.171 18053 3734 1 6 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.947 1.192 18053 3735 1 6 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.327 1.220 18053 3736 1 6 . 1 1 86 86 ALA H H 516 7.474 7.474 7.503 -0.029 18053 3737 1 6 . 1 1 87 87 GLY N N 517 105.720 105.720 107.219 -1.499 18053 3738 1 6 . 1 1 87 87 GLY C C 517 173.650 173.650 174.166 -0.516 18053 3739 1 6 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.413 0.601 18053 3740 1 6 . 1 1 87 87 GLY H H 517 7.779 7.779 7.829 -0.050 18053 3741 1 6 . 1 1 88 88 VAL N N 518 121.537 121.537 119.723 1.814 18053 3742 1 6 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.160 -0.575 18053 3743 1 6 . 1 1 88 88 VAL C C 518 174.851 174.851 174.723 0.128 18053 3744 1 6 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.893 0.381 18053 3745 1 6 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.542 -0.166 18053 3746 1 6 . 1 1 88 88 VAL H H 518 7.499 7.499 7.568 -0.069 18053 3747 1 6 . 1 1 89 89 ALA N N 519 128.295 128.295 129.557 -1.262 18053 3748 1 6 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.470 -0.278 18053 3749 1 6 . 1 1 89 89 ALA C C 519 176.680 176.680 176.315 0.365 18053 3750 1 6 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.057 0.226 18053 3751 1 6 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.727 -0.435 18053 3752 1 6 . 1 1 89 89 ALA H H 519 7.960 7.960 8.011 -0.051 18053 3753 1 6 . 1 1 90 90 HIS N N 520 122.643 122.643 122.486 0.157 18053 3754 1 6 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.305 -0.272 18053 3755 1 6 . 1 1 90 90 HIS C C 520 175.793 175.793 174.592 1.201 18053 3756 1 6 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.464 2.189 18053 3757 1 6 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.702 2.583 18053 3758 1 6 . 1 1 90 90 HIS H H 520 8.394 8.394 8.768 -0.374 18053 3759 1 6 . 1 1 91 91 SER N N 521 121.247 121.247 123.404 -2.157 18053 3760 1 6 . 1 1 91 91 SER HA H 521 4.629 4.629 4.682 -0.053 18053 3761 1 6 . 1 1 91 91 SER CA C 521 55.843 55.843 55.922 -0.079 18053 3762 1 6 . 1 1 91 91 SER CB C 521 62.367 62.367 63.521 -1.154 18053 3763 1 6 . 1 1 91 91 SER H H 521 8.569 8.569 8.400 0.169 18053 3764 1 6 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.823 -0.821 18053 3765 1 6 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.038 0.206 18053 3766 1 6 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.318 -0.387 18053 3767 1 6 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.839 -0.167 18053 3768 1 6 . 1 1 93 93 PRO C C 523 177.786 177.786 177.322 0.464 18053 3769 1 6 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.395 0.608 18053 3770 1 6 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.428 2.477 18053 3771 1 6 . 1 1 94 94 SER N N 524 117.212 117.212 118.104 -0.892 18053 3772 1 6 . 1 1 94 94 SER HA H 524 4.678 4.678 4.652 0.026 18053 3773 1 6 . 1 1 94 94 SER C C 524 174.851 174.851 174.728 0.123 18053 3774 1 6 . 1 1 94 94 SER CA C 524 61.874 61.874 60.257 1.617 18053 3775 1 6 . 1 1 94 94 SER CB C 524 64.057 64.057 63.961 0.096 18053 3776 1 6 . 1 1 94 94 SER H H 524 8.463 8.463 7.765 0.698 18053 3777 1 6 . 1 1 95 95 THR N N 525 121.588 121.588 120.693 0.895 18053 3778 1 6 . 1 1 95 95 THR HA H 525 4.859 4.859 4.854 0.005 18053 3779 1 6 . 1 1 95 95 THR C C 525 172.094 172.094 173.233 -1.139 18053 3780 1 6 . 1 1 95 95 THR CA C 525 62.309 62.309 63.018 -0.709 18053 3781 1 6 . 1 1 95 95 THR CB C 525 70.281 70.281 68.594 1.687 18053 3782 1 6 . 1 1 95 95 THR H H 525 7.631 7.631 8.007 -0.376 18053 3783 1 6 . 1 1 96 96 LEU N N 526 127.274 127.274 130.215 -2.941 18053 3784 1 6 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.867 0.264 18053 3785 1 6 . 1 1 96 96 LEU C C 526 175.916 175.916 176.049 -0.133 18053 3786 1 6 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.038 -1.963 18053 3787 1 6 . 1 1 96 96 LEU CB C 526 43.790 43.790 42.706 1.084 18053 3788 1 6 . 1 1 96 96 LEU H H 526 8.977 8.977 8.241 0.736 18053 3789 1 6 . 1 1 97 97 VAL N N 527 124.056 124.056 124.228 -0.172 18053 3790 1 6 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.268 0.601 18053 3791 1 6 . 1 1 97 97 VAL C C 527 176.230 176.230 175.205 1.025 18053 3792 1 6 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.669 -0.150 18053 3793 1 6 . 1 1 97 97 VAL CB C 527 33.704 33.704 32.573 1.131 18053 3794 1 6 . 1 1 97 97 VAL H H 527 10.724 10.724 8.481 2.243 18053 3795 1 6 . 1 1 98 98 TRP N N 528 132.586 132.586 131.883 0.703 18053 3796 1 6 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.305 0.660 18053 3797 1 6 . 1 1 98 98 TRP C C 528 173.391 173.391 174.298 -0.907 18053 3798 1 6 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.010 -1.707 18053 3799 1 6 . 1 1 98 98 TRP CB C 528 28.245 28.245 27.692 0.553 18053 3800 1 6 . 1 1 98 98 TRP H H 528 9.400 9.400 8.564 0.836 18053 3801 1 6 . 1 1 99 99 LYS N N 529 126.644 126.644 127.624 -0.980 18053 3802 1 6 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.144 -0.305 18053 3803 1 6 . 1 1 99 99 LYS C C 529 177.581 177.581 177.036 0.545 18053 3804 1 6 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.038 1.505 18053 3805 1 6 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.307 -0.131 18053 3806 1 6 . 1 1 99 99 LYS H H 529 8.153 8.153 7.904 0.249 18053 3807 1 6 . 1 1 100 100 GLY N N 530 110.385 110.385 113.896 -3.511 18053 3808 1 6 . 1 1 100 100 GLY C C 530 172.367 172.367 173.585 -1.218 18053 3809 1 6 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.715 0.563 18053 3810 1 6 . 1 1 100 100 GLY H H 530 8.363 8.363 8.532 -0.169 18053 3811 1 6 . 1 1 101 101 GLN N N 531 121.162 121.162 122.400 -1.238 18053 3812 1 6 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.325 -0.353 18053 3813 1 6 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.388 -1.768 18053 3814 1 6 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.302 -0.707 18053 3815 1 6 . 1 1 101 101 GLN H H 531 6.815 6.815 7.359 -0.544 18053 3816 1 6 . 1 1 102 102 SER N N 532 122.728 122.728 122.561 0.167 18053 3817 1 6 . 1 1 102 102 SER HA H 532 3.866 3.866 4.439 -0.573 18053 3818 1 6 . 1 1 102 102 SER C C 532 174.537 174.537 176.350 -1.813 18053 3819 1 6 . 1 1 102 102 SER CA C 532 61.983 61.983 60.484 1.499 18053 3820 1 6 . 1 1 102 102 SER CB C 532 62.802 62.802 63.389 -0.587 18053 3821 1 6 . 1 1 102 102 SER H H 532 8.662 8.662 8.936 -0.274 18053 3822 1 6 . 1 1 103 103 SER N N 533 110.811 110.811 117.378 -6.567 18053 3823 1 6 . 1 1 103 103 SER HA H 533 4.240 4.240 4.203 0.037 18053 3824 1 6 . 1 1 103 103 SER C C 533 174.087 174.087 174.611 -0.524 18053 3825 1 6 . 1 1 103 103 SER CA C 533 56.633 56.633 59.679 -3.046 18053 3826 1 6 . 1 1 103 103 SER CB C 533 64.658 64.658 63.475 1.183 18053 3827 1 6 . 1 1 103 103 SER H H 533 7.134 7.134 8.051 -0.917 18053 3828 1 6 . 1 1 104 104 TRP N N 534 126.133 126.133 122.902 3.231 18053 3829 1 6 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.220 -0.122 18053 3830 1 6 . 1 1 104 104 TRP C C 534 176.066 176.066 175.913 0.153 18053 3831 1 6 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.220 2.907 18053 3832 1 6 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.800 -0.036 18053 3833 1 6 . 1 1 104 104 TRP H H 534 9.764 9.764 7.986 1.778 18053 3834 1 6 . 1 1 105 105 GLY N N 535 105.907 105.907 108.202 -2.295 18053 3835 1 6 . 1 1 105 105 GLY C C 535 172.217 172.217 174.346 -2.129 18053 3836 1 6 . 1 1 105 105 GLY CA C 535 44.240 44.240 45.058 -0.818 18053 3837 1 6 . 1 1 105 105 GLY H H 535 8.095 8.095 7.679 0.416 18053 3838 1 6 . 1 1 106 106 THR N N 536 111.253 111.253 113.841 -2.588 18053 3839 1 6 . 1 1 106 106 THR HA H 536 3.859 3.859 4.052 -0.193 18053 3840 1 6 . 1 1 106 106 THR C C 536 172.872 172.872 173.910 -1.038 18053 3841 1 6 . 1 1 106 106 THR CA C 536 59.635 59.635 61.774 -2.139 18053 3842 1 6 . 1 1 106 106 THR CB C 536 70.526 70.526 69.224 1.302 18053 3843 1 6 . 1 1 106 106 THR H H 536 7.913 7.913 7.727 0.186 18053 3844 1 6 . 1 1 107 107 GLY N N 537 107.712 107.712 110.273 -2.561 18053 3845 1 6 . 1 1 107 107 GLY C C 537 172.709 172.709 173.739 -1.030 18053 3846 1 6 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.122 0.044 18053 3847 1 6 . 1 1 107 107 GLY H H 537 7.533 7.533 7.425 0.108 18053 3848 1 6 . 1 1 108 108 GLU N N 538 118.864 118.864 119.059 -0.195 18053 3849 1 6 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.251 -0.115 18053 3850 1 6 . 1 1 108 108 GLU C C 538 176.353 176.353 175.436 0.917 18053 3851 1 6 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.653 0.699 18053 3852 1 6 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.494 -0.338 18053 3853 1 6 . 1 1 108 108 GLU H H 538 8.558 8.558 8.718 -0.160 18053 3854 1 6 . 1 1 109 109 SER N N 539 110.419 110.419 113.737 -3.318 18053 3855 1 6 . 1 1 109 109 SER HA H 539 4.963 4.963 5.288 -0.325 18053 3856 1 6 . 1 1 109 109 SER C C 539 173.787 173.787 172.786 1.001 18053 3857 1 6 . 1 1 109 109 SER CA C 539 57.125 57.125 57.346 -0.221 18053 3858 1 6 . 1 1 109 109 SER CB C 539 64.439 64.439 64.921 -0.482 18053 3859 1 6 . 1 1 109 109 SER H H 539 7.620 7.620 7.823 -0.203 18053 3860 1 6 . 1 1 110 110 PHE N N 540 118.778 118.778 119.357 -0.579 18053 3861 1 6 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.225 -0.144 18053 3862 1 6 . 1 1 110 110 PHE C C 540 176.052 176.052 172.959 3.093 18053 3863 1 6 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.294 0.495 18053 3864 1 6 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.218 -1.458 18053 3865 1 6 . 1 1 110 110 PHE H H 540 8.318 8.318 8.833 -0.515 18053 3866 1 6 . 1 1 112 112 THR HA H 542 5.468 5.468 5.325 0.143 18053 3867 1 6 . 1 1 112 112 THR C C 542 172.381 172.381 173.651 -1.270 18053 3868 1 6 . 1 1 112 112 THR CA C 542 61.818 61.818 62.331 -0.513 18053 3869 1 6 . 1 1 112 112 THR CB C 542 70.990 70.990 69.373 1.617 18053 3870 1 6 . 1 1 113 113 VAL N N 543 124.771 124.771 127.795 -3.024 18053 3871 1 6 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.441 0.423 18053 3872 1 6 . 1 1 113 113 VAL C C 543 173.132 173.132 173.798 -0.666 18053 3873 1 6 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.799 -0.700 18053 3874 1 6 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.775 1.659 18053 3875 1 6 . 1 1 113 113 VAL H H 543 9.380 9.380 9.053 0.327 18053 3876 1 6 . 1 1 114 114 LEU N N 544 128.789 128.789 129.082 -0.293 18053 3877 1 6 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.904 0.416 18053 3878 1 6 . 1 1 114 114 LEU C C 544 174.237 174.237 174.787 -0.550 18053 3879 1 6 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.601 -0.408 18053 3880 1 6 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.078 1.801 18053 3881 1 6 . 1 1 114 114 LEU H H 544 8.948 8.948 8.555 0.393 18053 3882 1 6 . 1 1 115 115 VAL N N 545 127.002 127.002 127.138 -0.136 18053 3883 1 6 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.598 0.256 18053 3884 1 6 . 1 1 115 115 VAL C C 545 175.206 175.206 174.891 0.315 18053 3885 1 6 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.390 -1.056 18053 3886 1 6 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.418 0.077 18053 3887 1 6 . 1 1 115 115 VAL H H 545 9.564 9.564 8.691 0.873 18053 3888 1 6 . 1 1 116 116 ASN N N 546 121.179 121.179 122.373 -1.194 18053 3889 1 6 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.549 -0.652 18053 3890 1 6 . 1 1 116 116 ASN C C 546 176.885 176.885 175.023 1.862 18053 3891 1 6 . 1 1 116 116 ASN CA C 546 50.409 50.409 50.906 -0.497 18053 3892 1 6 . 1 1 116 116 ASN CB C 546 36.639 36.639 40.223 -3.584 18053 3893 1 6 . 1 1 116 116 ASN H H 546 8.016 8.016 7.803 0.213 18053 3894 1 6 . 1 1 117 117 ALA N N 547 119.834 119.834 121.201 -1.367 18053 3895 1 6 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.027 -0.161 18053 3896 1 6 . 1 1 117 117 ALA C C 547 177.772 177.772 178.526 -0.754 18053 3897 1 6 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.497 0.007 18053 3898 1 6 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.647 -0.447 18053 3899 1 6 . 1 1 117 117 ALA H H 547 6.444 6.444 8.213 -1.769 18053 3900 1 6 . 1 1 118 118 ASP N N 548 115.646 115.646 117.486 -1.840 18053 3901 1 6 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.393 0.251 18053 3902 1 6 . 1 1 118 118 ASP C C 548 176.052 176.052 177.251 -1.199 18053 3903 1 6 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.654 -1.587 18053 3904 1 6 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.236 0.438 18053 3905 1 6 . 1 1 118 118 ASP H H 548 7.181 7.181 8.100 -0.919 18053 3906 1 6 . 1 1 119 119 GLY N N 549 107.167 107.167 106.379 0.788 18053 3907 1 6 . 1 1 119 119 GLY C C 549 173.841 173.841 174.428 -0.587 18053 3908 1 6 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.606 0.849 18053 3909 1 6 . 1 1 119 119 GLY H H 549 7.738 7.738 7.401 0.337 18053 3910 1 6 . 1 1 120 120 GLU N N 550 121.196 121.196 121.064 0.132 18053 3911 1 6 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.231 -0.119 18053 3912 1 6 . 1 1 120 120 GLU C C 550 175.588 175.588 175.735 -0.147 18053 3913 1 6 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.948 -1.117 18053 3914 1 6 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.230 -0.293 18053 3915 1 6 . 1 1 120 120 GLU H H 550 7.587 7.587 7.740 -0.153 18053 3916 1 6 . 1 1 121 121 GLU N N 551 123.886 123.886 124.292 -0.406 18053 3917 1 6 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.285 -0.009 18053 3918 1 6 . 1 1 121 121 GLU C C 551 176.817 176.817 176.511 0.306 18053 3919 1 6 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.425 0.372 18053 3920 1 6 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.202 -0.247 18053 3921 1 6 . 1 1 121 121 GLU H H 551 8.697 8.697 8.676 0.021 18053 3922 1 6 . 1 1 122 122 VAL N N 552 120.055 120.055 119.534 0.521 18053 3923 1 6 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.061 0.303 18053 3924 1 6 . 1 1 122 122 VAL C C 552 175.998 175.998 175.374 0.624 18053 3925 1 6 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.607 -0.952 18053 3926 1 6 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.426 0.623 18053 3927 1 6 . 1 1 122 122 VAL H H 552 8.845 8.845 8.121 0.724 18053 3928 1 6 . 1 1 123 123 ALA N N 553 122.098 122.098 121.329 0.769 18053 3929 1 6 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.716 0.174 18053 3930 1 6 . 1 1 123 123 ALA C C 553 175.261 175.261 175.302 -0.041 18053 3931 1 6 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.526 1.231 18053 3932 1 6 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.047 0.220 18053 3933 1 6 . 1 1 123 123 ALA H H 553 7.788 7.788 7.710 0.078 18053 3934 1 6 . 1 1 124 124 MET N N 554 118.217 118.217 119.646 -1.429 18053 3935 1 6 . 1 1 124 124 MET HA H 554 5.286 5.286 5.218 0.068 18053 3936 1 6 . 1 1 124 124 MET C C 554 174.428 174.428 174.259 0.169 18053 3937 1 6 . 1 1 124 124 MET CA C 554 55.104 55.104 55.743 -0.639 18053 3938 1 6 . 1 1 124 124 MET CB C 554 35.342 35.342 37.028 -1.685 18053 3939 1 6 . 1 1 124 124 MET H H 554 8.693 8.693 8.604 0.089 18053 3940 1 6 . 1 1 125 125 ARG N N 555 122.132 122.132 124.346 -2.214 18053 3941 1 6 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.694 0.206 18053 3942 1 6 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.902 0.486 18053 3943 1 6 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.346 1.032 18053 3944 1 6 . 1 1 125 125 ARG H H 555 8.919 8.919 8.919 -0.000 18053 3945 1 6 . 1 1 126 126 THR HA H 556 4.685 4.685 4.375 0.310 18053 3946 1 6 . 1 1 126 126 THR C C 556 172.436 172.436 172.995 -0.559 18053 3947 1 6 . 1 1 126 126 THR CA C 556 61.382 61.382 62.982 -1.600 18053 3948 1 6 . 1 1 126 126 THR CB C 556 70.444 70.444 68.816 1.628 18053 3949 1 6 . 1 1 127 127 VAL N N 557 124.976 124.976 126.397 -1.421 18053 3950 1 6 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.343 -0.197 18053 3951 1 6 . 1 1 127 127 VAL C C 557 173.937 173.937 172.935 1.002 18053 3952 1 6 . 1 1 127 127 VAL CA C 557 61.109 61.109 59.744 1.365 18053 3953 1 6 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.347 0.412 18053 3954 1 6 . 1 1 127 127 VAL H H 557 8.127 8.127 8.366 -0.239 18053 3955 1 6 . 1 1 128 128 LYS N N 558 125.384 125.384 126.522 -1.138 18053 3956 1 6 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.914 -0.208 18053 3957 1 6 . 1 1 128 128 LYS C C 558 175.534 175.534 175.116 0.418 18053 3958 1 6 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.177 1.709 18053 3959 1 6 . 1 1 128 128 LYS CB C 558 34.673 34.673 35.196 -0.523 18053 3960 1 6 . 1 1 128 128 LYS H H 558 8.289 8.289 8.197 0.092 18053 3961 1 6 . 1 1 129 129 LYS N N 559 124.005 124.005 123.097 0.908 18053 3962 1 6 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.333 -0.023 18053 3963 1 6 . 1 1 129 129 LYS C C 559 176.571 176.571 175.943 0.628 18053 3964 1 6 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.704 0.038 18053 3965 1 6 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.118 1.244 18053 3966 1 6 . 1 1 129 129 LYS H H 559 8.461 8.461 8.422 0.039 18053 3967 1 6 . 1 1 130 130 SER N N 560 117.195 117.195 121.005 -3.810 18053 3968 1 6 . 1 1 130 130 SER HA H 560 4.384 4.384 4.560 -0.176 18053 3969 1 6 . 1 1 130 130 SER C C 560 174.565 174.565 173.698 0.867 18053 3970 1 6 . 1 1 130 130 SER CA C 560 58.434 58.434 58.524 -0.090 18053 3971 1 6 . 1 1 130 130 SER CB C 560 63.812 63.812 64.049 -0.236 18053 3972 1 6 . 1 1 130 130 SER H H 560 8.465 8.465 8.614 -0.149 18053 3973 1 6 . 1 1 131 131 SER N N 561 118.149 118.149 118.577 -0.428 18053 3974 1 6 . 1 1 131 131 SER HA H 561 4.412 4.412 4.697 -0.285 18053 3975 1 6 . 1 1 131 131 SER C C 561 174.456 174.456 174.127 0.329 18053 3976 1 6 . 1 1 131 131 SER CA C 561 58.489 58.489 57.583 0.906 18053 3977 1 6 . 1 1 131 131 SER CB C 561 63.811 63.811 64.428 -0.617 18053 3978 1 6 . 1 1 131 131 SER H H 561 8.336 8.336 7.930 0.406 18053 3979 1 6 . 1 1 132 132 VAL N N 562 121.332 121.332 121.477 -0.145 18053 3980 1 6 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.162 -0.127 18053 3981 1 6 . 1 1 132 132 VAL C C 562 176.066 176.066 175.957 0.109 18053 3982 1 6 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.297 0.149 18053 3983 1 6 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.863 0.531 18053 3984 1 6 . 1 1 132 132 VAL H H 562 7.982 7.982 8.572 -0.590 18053 3985 1 6 . 1 1 133 133 MET N N 563 124.022 124.022 118.633 5.389 18053 3986 1 6 . 1 1 133 133 MET HA H 563 4.385 4.385 4.476 -0.091 18053 3987 1 6 . 1 1 133 133 MET C C 563 176.039 176.039 175.676 0.363 18053 3988 1 6 . 1 1 133 133 MET CA C 563 55.350 55.350 56.121 -0.771 18053 3989 1 6 . 1 1 133 133 MET CB C 563 32.503 32.503 33.002 -0.499 18053 3990 1 6 . 1 1 133 133 MET H H 563 8.295 8.295 7.626 0.669 18053 3991 1 6 . 1 1 134 134 ARG N N 564 122.677 122.677 121.890 0.787 18053 3992 1 6 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.490 -0.228 18053 3993 1 6 . 1 1 134 134 ARG C C 564 176.298 176.298 176.365 -0.067 18053 3994 1 6 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.137 0.950 18053 3995 1 6 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.651 0.051 18053 3996 1 6 . 1 1 134 134 ARG H H 564 8.295 8.295 8.273 0.022 18053 3997 1 6 . 1 1 135 135 GLU N N 565 121.945 121.945 120.276 1.669 18053 3998 1 6 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.016 0.144 18053 3999 1 6 . 1 1 135 135 GLU C C 565 176.080 176.080 174.995 1.085 18053 4000 1 6 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.788 0.118 18053 4001 1 6 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.577 1.197 18053 4002 1 6 . 1 1 135 135 GLU H H 565 8.470 8.470 8.731 -0.261 18053 4003 1 6 . 1 1 136 136 ASN N N 566 118.761 118.761 118.572 0.189 18053 4004 1 6 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.834 -0.217 18053 4005 1 6 . 1 1 136 136 ASN C C 566 175.315 175.315 174.963 0.352 18053 4006 1 6 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.157 0.036 18053 4007 1 6 . 1 1 136 136 ASN CB C 566 38.836 38.836 39.499 -0.663 18053 4008 1 6 . 1 1 136 136 ASN H H 566 8.341 8.341 8.202 0.139 18053 4009 1 6 . 1 1 137 137 GLU N N 567 121.349 121.349 122.215 -0.866 18053 4010 1 6 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.514 -0.362 18053 4011 1 6 . 1 1 137 137 GLU C C 567 176.243 176.243 175.926 0.317 18053 4012 1 6 . 1 1 137 137 GLU CA C 567 56.906 56.906 56.380 0.526 18053 4013 1 6 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.363 -0.371 18053 4014 1 6 . 1 1 137 137 GLU H H 567 8.349 8.349 8.693 -0.344 18053 4015 1 6 . 1 1 138 138 ASN N N 568 118.761 118.761 118.895 -0.134 18053 4016 1 6 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.978 -0.266 18053 4017 1 6 . 1 1 138 138 ASN C C 568 174.551 174.551 174.613 -0.062 18053 4018 1 6 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.092 0.102 18053 4019 1 6 . 1 1 138 138 ASN CB C 568 39.327 39.327 39.364 -0.037 18053 4020 1 6 . 1 1 138 138 ASN H H 568 8.397 8.397 7.941 0.456 18053 4021 1 7 . 1 1 20 20 ALA N N 450 125.180 125.180 126.358 -1.178 18053 4022 1 7 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.680 0.026 18053 4023 1 7 . 1 1 20 20 ALA C C 450 177.226 177.226 176.502 0.724 18053 4024 1 7 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.013 0.744 18053 4025 1 7 . 1 1 20 20 ALA CB C 450 20.411 20.411 20.685 -0.274 18053 4026 1 7 . 1 1 20 20 ALA H H 450 8.484 8.484 8.252 0.232 18053 4027 1 7 . 1 1 21 21 SER N N 451 115.714 115.714 118.818 -3.104 18053 4028 1 7 . 1 1 21 21 SER HA H 451 4.513 4.513 4.523 -0.010 18053 4029 1 7 . 1 1 21 21 SER C C 451 174.742 174.742 175.508 -0.766 18053 4030 1 7 . 1 1 21 21 SER CA C 451 58.516 58.516 58.169 0.347 18053 4031 1 7 . 1 1 21 21 SER CB C 451 64.159 64.159 62.336 1.823 18053 4032 1 7 . 1 1 21 21 SER H H 451 8.487 8.487 8.213 0.274 18053 4033 1 7 . 1 1 22 22 GLY N N 452 111.509 111.509 114.981 -3.472 18053 4034 1 7 . 1 1 22 22 GLY C C 452 174.401 174.401 174.584 -0.183 18053 4035 1 7 . 1 1 22 22 GLY CA C 452 45.059 45.059 46.331 -1.272 18053 4036 1 7 . 1 1 22 22 GLY H H 452 8.198 8.198 8.379 -0.181 18053 4037 1 7 . 1 1 23 23 SER N N 453 116.191 116.191 114.059 2.132 18053 4038 1 7 . 1 1 23 23 SER HA H 453 4.364 4.364 4.484 -0.120 18053 4039 1 7 . 1 1 23 23 SER C C 453 173.432 173.432 173.363 0.069 18053 4040 1 7 . 1 1 23 23 SER CA C 453 59.744 59.744 58.754 0.990 18053 4041 1 7 . 1 1 23 23 SER CB C 453 64.335 64.335 64.659 -0.324 18053 4042 1 7 . 1 1 23 23 SER H H 453 8.494 8.494 8.150 0.344 18053 4043 1 7 . 1 1 24 24 VAL N N 454 121.656 121.656 122.717 -1.061 18053 4044 1 7 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.475 0.560 18053 4045 1 7 . 1 1 24 24 VAL C C 454 174.606 174.606 174.625 -0.019 18053 4046 1 7 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.120 -0.065 18053 4047 1 7 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.469 -0.966 18053 4048 1 7 . 1 1 24 24 VAL H H 454 7.830 7.830 7.469 0.361 18053 4049 1 7 . 1 1 25 25 SER N N 455 119.323 119.323 114.617 4.706 18053 4050 1 7 . 1 1 25 25 SER HA H 455 4.672 4.672 4.943 -0.271 18053 4051 1 7 . 1 1 25 25 SER C C 455 174.426 174.426 173.000 1.426 18053 4052 1 7 . 1 1 25 25 SER CA C 455 55.268 55.268 56.634 -1.366 18053 4053 1 7 . 1 1 25 25 SER CB C 455 65.162 65.162 66.019 -0.857 18053 4054 1 7 . 1 1 25 25 SER H H 455 9.065 9.065 8.769 0.296 18053 4055 1 7 . 1 1 26 26 ILE N N 456 119.468 119.468 125.430 -5.962 18053 4056 1 7 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.257 -0.077 18053 4057 1 7 . 1 1 26 26 ILE C C 456 175.506 175.506 175.451 0.055 18053 4058 1 7 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.002 -0.674 18053 4059 1 7 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.273 0.689 18053 4060 1 7 . 1 1 26 26 ILE H H 456 8.295 8.295 8.849 -0.554 18053 4061 1 7 . 1 1 27 27 GLU N N 457 129.726 129.726 129.774 -0.048 18053 4062 1 7 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.332 -0.104 18053 4063 1 7 . 1 1 27 27 GLU C C 457 175.179 175.179 176.326 -1.147 18053 4064 1 7 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.406 -1.974 18053 4065 1 7 . 1 1 27 27 GLU CB C 457 30.142 30.142 31.224 -1.082 18053 4066 1 7 . 1 1 27 27 GLU H H 457 8.393 8.393 8.696 -0.303 18053 4067 1 7 . 1 1 28 28 GLU N N 458 117.076 117.076 116.634 0.442 18053 4068 1 7 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.706 -0.538 18053 4069 1 7 . 1 1 28 28 GLU C C 458 174.701 174.701 175.033 -0.332 18053 4070 1 7 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.086 1.820 18053 4071 1 7 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.183 -2.335 18053 4072 1 7 . 1 1 28 28 GLU H H 458 7.489 7.489 8.030 -0.541 18053 4073 1 7 . 1 1 29 29 ILE N N 459 122.183 122.183 119.586 2.597 18053 4074 1 7 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.023 -0.259 18053 4075 1 7 . 1 1 29 29 ILE C C 459 174.169 174.169 174.363 -0.194 18053 4076 1 7 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.514 0.012 18053 4077 1 7 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.888 -1.579 18053 4078 1 7 . 1 1 29 29 ILE H H 459 8.126 8.126 8.247 -0.121 18053 4079 1 7 . 1 1 30 30 ASP N N 460 123.205 123.205 123.429 -0.224 18053 4080 1 7 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.076 0.107 18053 4081 1 7 . 1 1 30 30 ASP C C 460 178.318 178.318 177.659 0.659 18053 4082 1 7 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.743 0.187 18053 4083 1 7 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.209 0.598 18053 4084 1 7 . 1 1 30 30 ASP H H 460 6.704 6.704 7.503 -0.799 18053 4085 1 7 . 1 1 31 31 LEU N N 461 128.551 128.551 119.945 8.606 18053 4086 1 7 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.056 0.008 18053 4087 1 7 . 1 1 31 31 LEU C C 461 177.513 177.513 178.089 -0.576 18053 4088 1 7 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.298 -0.174 18053 4089 1 7 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.486 -0.249 18053 4090 1 7 . 1 1 31 31 LEU H H 461 9.012 9.012 8.502 0.510 18053 4091 1 7 . 1 1 32 32 GLU N N 462 115.101 115.101 118.212 -3.111 18053 4092 1 7 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.499 -0.216 18053 4093 1 7 . 1 1 32 32 GLU C C 462 177.062 177.062 177.099 -0.037 18053 4094 1 7 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.829 -1.070 18053 4095 1 7 . 1 1 32 32 GLU CB C 462 29.569 29.569 31.302 -1.733 18053 4096 1 7 . 1 1 32 32 GLU H H 462 7.588 7.588 8.069 -0.481 18053 4097 1 7 . 1 1 33 33 GLY N N 463 106.299 106.299 107.191 -0.892 18053 4098 1 7 . 1 1 33 33 GLY C C 463 174.824 174.824 174.570 0.254 18053 4099 1 7 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.886 1.919 18053 4100 1 7 . 1 1 33 33 GLY H H 463 7.372 7.372 8.146 -0.774 18053 4101 1 7 . 1 1 34 34 LYS N N 464 118.744 118.744 118.583 0.161 18053 4102 1 7 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.463 0.099 18053 4103 1 7 . 1 1 34 34 LYS C C 464 177.076 177.076 174.971 2.105 18053 4104 1 7 . 1 1 34 34 LYS CA C 464 59.963 59.963 56.893 3.070 18053 4105 1 7 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.588 -0.477 18053 4106 1 7 . 1 1 34 34 LYS H H 464 9.547 9.547 8.153 1.394 18053 4107 1 7 . 1 1 35 35 PHE N N 465 109.125 109.125 113.076 -3.951 18053 4108 1 7 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.218 0.296 18053 4109 1 7 . 1 1 35 35 PHE C C 465 174.183 174.183 172.931 1.252 18053 4110 1 7 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.260 1.372 18053 4111 1 7 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.080 -0.481 18053 4112 1 7 . 1 1 35 35 PHE H H 465 6.740 6.740 7.060 -0.320 18053 4113 1 7 . 1 1 36 36 VAL N N 466 119.579 119.579 119.991 -0.412 18053 4114 1 7 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.268 -0.559 18053 4115 1 7 . 1 1 36 36 VAL C C 466 172.668 172.668 174.433 -1.765 18053 4116 1 7 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.254 1.438 18053 4117 1 7 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.400 1.815 18053 4118 1 7 . 1 1 36 36 VAL H H 466 7.628 7.628 8.732 -1.104 18053 4119 1 7 . 1 1 37 37 GLN N N 467 126.831 126.831 128.038 -1.207 18053 4120 1 7 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.768 0.681 18053 4121 1 7 . 1 1 37 37 GLN C C 467 174.797 174.797 174.583 0.214 18053 4122 1 7 . 1 1 37 37 GLN CA C 467 54.121 54.121 55.083 -0.962 18053 4123 1 7 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.332 5.291 18053 4124 1 7 . 1 1 37 37 GLN H H 467 8.392 8.392 8.566 -0.174 18053 4125 1 7 . 1 1 38 38 LEU N N 468 123.018 123.018 130.030 -7.012 18053 4126 1 7 . 1 1 38 38 LEU HA H 468 5.422 5.422 4.987 0.435 18053 4127 1 7 . 1 1 38 38 LEU C C 468 175.588 175.588 174.287 1.301 18053 4128 1 7 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.123 -1.421 18053 4129 1 7 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.429 -0.383 18053 4130 1 7 . 1 1 38 38 LEU H H 468 9.103 9.103 9.270 -0.167 18053 4131 1 7 . 1 1 39 39 LYS N N 469 118.983 118.983 126.190 -7.207 18053 4132 1 7 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.845 0.007 18053 4133 1 7 . 1 1 39 39 LYS C C 469 173.309 173.309 174.538 -1.229 18053 4134 1 7 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.482 0.512 18053 4135 1 7 . 1 1 39 39 LYS CB C 469 38.246 38.246 35.852 2.394 18053 4136 1 7 . 1 1 39 39 LYS H H 469 8.496 8.496 8.929 -0.433 18053 4137 1 7 . 1 1 40 40 ASN N N 470 121.758 121.758 122.828 -1.070 18053 4138 1 7 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.722 0.066 18053 4139 1 7 . 1 1 40 40 ASN C C 470 174.496 174.496 174.428 0.068 18053 4140 1 7 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.559 -1.440 18053 4141 1 7 . 1 1 40 40 ASN CB C 470 37.559 37.559 40.010 -2.451 18053 4142 1 7 . 1 1 40 40 ASN H H 470 8.283 8.283 8.618 -0.335 18053 4143 1 7 . 1 1 41 41 ASN N N 471 122.422 122.422 122.999 -0.577 18053 4144 1 7 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.820 -0.232 18053 4145 1 7 . 1 1 41 41 ASN C C 471 174.810 174.810 174.508 0.302 18053 4146 1 7 . 1 1 41 41 ASN CA C 471 53.985 53.985 52.694 1.291 18053 4147 1 7 . 1 1 41 41 ASN CB C 471 39.600 39.600 40.279 -0.680 18053 4148 1 7 . 1 1 41 41 ASN H H 471 8.681 8.681 8.486 0.195 18053 4149 1 7 . 1 1 42 42 SER N N 472 116.446 116.446 116.704 -0.258 18053 4150 1 7 . 1 1 42 42 SER HA H 472 4.719 4.719 4.529 0.190 18053 4151 1 7 . 1 1 42 42 SER C C 472 172.804 172.804 174.795 -1.991 18053 4152 1 7 . 1 1 42 42 SER CA C 472 57.288 57.288 57.910 -0.622 18053 4153 1 7 . 1 1 42 42 SER CB C 472 66.241 66.241 64.963 1.278 18053 4154 1 7 . 1 1 42 42 SER H H 472 8.370 8.370 7.918 0.452 18053 4155 1 7 . 1 1 43 43 ASP N N 473 117.706 117.706 122.919 -5.213 18053 4156 1 7 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.514 -0.040 18053 4157 1 7 . 1 1 43 43 ASP C C 473 175.343 175.343 176.294 -0.951 18053 4158 1 7 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.938 -2.417 18053 4159 1 7 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.862 -0.540 18053 4160 1 7 . 1 1 43 43 ASP H H 473 8.254 8.254 8.711 -0.457 18053 4161 1 7 . 1 1 44 44 LYS N N 474 120.209 120.209 118.366 1.843 18053 4162 1 7 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.486 0.083 18053 4163 1 7 . 1 1 44 44 LYS C C 474 175.397 175.397 174.966 0.431 18053 4164 1 7 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.234 -0.223 18053 4165 1 7 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.358 1.025 18053 4166 1 7 . 1 1 44 44 LYS H H 474 8.305 8.305 7.404 0.901 18053 4167 1 7 . 1 1 45 45 ASP N N 475 124.993 124.993 118.275 6.718 18053 4168 1 7 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.369 -0.394 18053 4169 1 7 . 1 1 45 45 ASP C C 475 174.810 174.810 175.776 -0.966 18053 4170 1 7 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.231 0.764 18053 4171 1 7 . 1 1 45 45 ASP CB C 475 40.364 40.364 39.814 0.550 18053 4172 1 7 . 1 1 45 45 ASP H H 475 8.722 8.722 8.372 0.350 18053 4173 1 7 . 1 1 46 46 GLN N N 476 120.549 120.549 125.185 -4.636 18053 4174 1 7 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.277 0.159 18053 4175 1 7 . 1 1 46 46 GLN C C 476 174.019 174.019 175.706 -1.687 18053 4176 1 7 . 1 1 46 46 GLN CA C 476 53.138 53.138 55.025 -1.887 18053 4177 1 7 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.350 2.116 18053 4178 1 7 . 1 1 46 46 GLN H H 476 7.878 7.878 8.145 -0.267 18053 4179 1 7 . 1 1 47 47 SER N N 477 121.537 121.537 121.915 -0.378 18053 4180 1 7 . 1 1 47 47 SER HA H 477 4.229 4.229 4.207 0.022 18053 4181 1 7 . 1 1 47 47 SER C C 477 174.565 174.565 173.779 0.786 18053 4182 1 7 . 1 1 47 47 SER CA C 477 58.706 58.706 58.704 0.002 18053 4183 1 7 . 1 1 47 47 SER CB C 477 62.965 62.965 62.643 0.322 18053 4184 1 7 . 1 1 47 47 SER H H 477 8.748 8.748 8.699 0.049 18053 4185 1 7 . 1 1 48 48 LEU N N 478 127.751 127.751 126.337 1.414 18053 4186 1 7 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.327 -1.696 18053 4187 1 7 . 1 1 48 48 LEU C C 478 176.789 176.789 177.090 -0.301 18053 4188 1 7 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.691 -2.589 18053 4189 1 7 . 1 1 48 48 LEU CB C 478 42.343 42.343 44.017 -1.675 18053 4190 1 7 . 1 1 48 48 LEU H H 478 7.856 7.856 7.610 0.246 18053 4191 1 7 . 1 1 49 49 GLY N N 479 107.525 107.525 108.678 -1.153 18053 4192 1 7 . 1 1 49 49 GLY C C 479 176.653 176.653 175.487 1.166 18053 4193 1 7 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.788 2.273 18053 4194 1 7 . 1 1 49 49 GLY H H 479 7.728 7.728 8.719 -0.991 18053 4195 1 7 . 1 1 50 50 ASN N N 480 117.059 117.059 119.898 -2.839 18053 4196 1 7 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.591 -0.336 18053 4197 1 7 . 1 1 50 50 ASN C C 480 174.961 174.961 175.342 -0.381 18053 4198 1 7 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.888 1.472 18053 4199 1 7 . 1 1 50 50 ASN CB C 480 37.416 37.416 39.032 -1.615 18053 4200 1 7 . 1 1 50 50 ASN H H 480 7.552 7.552 8.742 -1.190 18053 4201 1 7 . 1 1 51 51 TRP N N 481 122.166 122.166 117.725 4.441 18053 4202 1 7 . 1 1 51 51 TRP HA H 481 4.477 4.477 5.144 -0.667 18053 4203 1 7 . 1 1 51 51 TRP C C 481 175.575 175.575 175.551 0.024 18053 4204 1 7 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.144 1.618 18053 4205 1 7 . 1 1 51 51 TRP CB C 481 28.041 28.041 31.238 -3.197 18053 4206 1 7 . 1 1 51 51 TRP H H 481 8.914 8.914 7.697 1.217 18053 4207 1 7 . 1 1 52 52 ARG N N 482 116.480 116.480 115.787 0.693 18053 4208 1 7 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.281 0.687 18053 4209 1 7 . 1 1 52 52 ARG C C 482 175.807 175.807 174.656 1.151 18053 4210 1 7 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.304 -1.183 18053 4211 1 7 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.247 0.877 18053 4212 1 7 . 1 1 52 52 ARG H H 482 9.147 9.147 9.270 -0.123 18053 4213 1 7 . 1 1 53 53 ILE N N 483 119.579 119.579 124.189 -4.610 18053 4214 1 7 . 1 1 53 53 ILE HA H 483 4.985 4.985 5.112 -0.127 18053 4215 1 7 . 1 1 53 53 ILE C C 483 175.670 175.670 175.820 -0.150 18053 4216 1 7 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.581 -0.181 18053 4217 1 7 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.683 1.544 18053 4218 1 7 . 1 1 53 53 ILE H H 483 9.000 9.000 8.794 0.206 18053 4219 1 7 . 1 1 54 54 LYS N N 484 124.737 124.737 127.827 -3.090 18053 4220 1 7 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.055 0.408 18053 4221 1 7 . 1 1 54 54 LYS C C 484 175.575 175.575 176.531 -0.956 18053 4222 1 7 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.316 -1.702 18053 4223 1 7 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.062 0.979 18053 4224 1 7 . 1 1 54 54 LYS H H 484 9.678 9.678 8.799 0.879 18053 4225 1 7 . 1 1 55 55 ARG N N 485 124.090 124.090 120.344 3.746 18053 4226 1 7 . 1 1 55 55 ARG HA H 485 5.525 5.525 5.128 0.397 18053 4227 1 7 . 1 1 55 55 ARG C C 485 174.155 174.155 174.167 -0.012 18053 4228 1 7 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.746 -1.843 18053 4229 1 7 . 1 1 55 55 ARG H H 485 9.314 9.314 8.911 0.403 18053 4230 1 7 . 1 1 56 56 GLN N N 486 126.576 126.576 124.093 2.483 18053 4231 1 7 . 1 1 56 56 GLN HA H 486 4.842 4.842 5.058 -0.216 18053 4232 1 7 . 1 1 56 56 GLN C C 486 174.991 174.991 175.046 -0.055 18053 4233 1 7 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.339 0.492 18053 4234 1 7 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.538 1.927 18053 4235 1 7 . 1 1 56 56 GLN H H 486 8.831 8.831 8.417 0.414 18053 4236 1 7 . 1 1 57 57 VAL N N 487 126.712 126.712 124.707 2.005 18053 4237 1 7 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.481 -0.215 18053 4238 1 7 . 1 1 57 57 VAL C C 487 175.916 175.916 177.880 -1.964 18053 4239 1 7 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.293 0.527 18053 4240 1 7 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.911 -0.108 18053 4241 1 7 . 1 1 57 57 VAL H H 487 8.786 8.786 8.720 0.066 18053 4242 1 7 . 1 1 58 58 LEU N N 488 127.274 127.274 122.722 4.552 18053 4243 1 7 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.225 -0.140 18053 4244 1 7 . 1 1 58 58 LEU C C 488 177.158 177.158 177.537 -0.379 18053 4245 1 7 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.682 -0.776 18053 4246 1 7 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.688 -0.314 18053 4247 1 7 . 1 1 58 58 LEU H H 488 8.316 8.316 8.194 0.121 18053 4248 1 7 . 1 1 59 59 GLU N N 489 119.647 119.647 118.076 1.571 18053 4249 1 7 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.308 -0.196 18053 4250 1 7 . 1 1 59 59 GLU C C 489 176.230 176.230 176.918 -0.688 18053 4251 1 7 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.360 0.655 18053 4252 1 7 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.475 -1.326 18053 4253 1 7 . 1 1 59 59 GLU H H 489 8.636 8.636 8.075 0.561 18053 4254 1 7 . 1 1 60 60 GLY N N 490 108.819 108.819 107.271 1.548 18053 4255 1 7 . 1 1 60 60 GLY C C 490 173.568 173.568 173.932 -0.364 18053 4256 1 7 . 1 1 60 60 GLY CA C 490 44.773 44.773 45.272 -0.499 18053 4257 1 7 . 1 1 60 60 GLY H H 490 8.160 8.160 7.841 0.319 18053 4258 1 7 . 1 1 61 61 GLU N N 491 121.009 121.009 123.671 -2.662 18053 4259 1 7 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.202 0.121 18053 4260 1 7 . 1 1 61 61 GLU C C 491 175.725 175.725 175.622 0.103 18053 4261 1 7 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.422 -0.226 18053 4262 1 7 . 1 1 61 61 GLU CB C 491 30.865 30.865 28.907 1.958 18053 4263 1 7 . 1 1 61 61 GLU H H 491 8.320 8.320 8.289 0.031 18053 4264 1 7 . 1 1 62 62 GLU N N 492 123.426 123.426 125.261 -1.835 18053 4265 1 7 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.165 -0.111 18053 4266 1 7 . 1 1 62 62 GLU C C 492 175.930 175.930 176.366 -0.436 18053 4267 1 7 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.786 0.864 18053 4268 1 7 . 1 1 62 62 GLU CB C 492 32.312 32.312 29.476 2.836 18053 4269 1 7 . 1 1 62 62 GLU H H 492 8.594 8.594 8.582 0.012 18053 4270 1 7 . 1 1 63 63 ILE N N 493 119.732 119.732 117.453 2.279 18053 4271 1 7 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.686 0.102 18053 4272 1 7 . 1 1 63 63 ILE C C 493 174.647 174.647 174.051 0.596 18053 4273 1 7 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.401 0.780 18053 4274 1 7 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.918 0.265 18053 4275 1 7 . 1 1 63 63 ILE H H 493 8.523 8.523 8.024 0.498 18053 4276 1 7 . 1 1 64 64 ALA N N 494 122.166 122.166 122.846 -0.680 18053 4277 1 7 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.940 0.581 18053 4278 1 7 . 1 1 64 64 ALA C C 494 174.606 174.606 175.774 -1.168 18053 4279 1 7 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.626 -0.098 18053 4280 1 7 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.523 0.716 18053 4281 1 7 . 1 1 64 64 ALA H H 494 8.741 8.741 8.170 0.571 18053 4282 1 7 . 1 1 65 65 TYR N N 495 126.729 126.729 126.890 -0.161 18053 4283 1 7 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.499 -0.405 18053 4284 1 7 . 1 1 65 65 TYR C C 495 173.036 173.036 173.990 -0.954 18053 4285 1 7 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.911 -0.006 18053 4286 1 7 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.185 2.084 18053 4287 1 7 . 1 1 65 65 TYR H H 495 8.462 8.462 8.576 -0.114 18053 4288 1 7 . 1 1 66 66 LYS N N 496 128.108 128.108 126.678 1.430 18053 4289 1 7 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.045 0.777 18053 4290 1 7 . 1 1 66 66 LYS C C 496 174.906 174.906 174.737 0.169 18053 4291 1 7 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.486 -1.747 18053 4292 1 7 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.231 1.551 18053 4293 1 7 . 1 1 66 66 LYS H H 496 7.010 7.010 7.279 -0.269 18053 4294 1 7 . 1 1 67 67 PHE N N 497 125.299 125.299 120.637 4.662 18053 4295 1 7 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.261 -0.329 18053 4296 1 7 . 1 1 67 67 PHE C C 497 177.990 177.990 175.422 2.568 18053 4297 1 7 . 1 1 67 67 PHE CA C 497 59.007 59.007 56.801 2.206 18053 4298 1 7 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.708 0.273 18053 4299 1 7 . 1 1 67 67 PHE H H 497 8.509 8.509 7.907 0.602 18053 4300 1 7 . 1 1 68 68 THR N N 498 116.191 116.191 111.459 4.732 18053 4301 1 7 . 1 1 68 68 THR HA H 498 4.417 4.417 4.745 -0.328 18053 4302 1 7 . 1 1 68 68 THR CA C 498 60.855 60.855 58.854 2.001 18053 4303 1 7 . 1 1 68 68 THR CB C 498 68.019 68.019 69.763 -1.744 18053 4304 1 7 . 1 1 68 68 THR H H 498 8.688 8.688 8.254 0.434 18053 4305 1 7 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.453 -0.505 18053 4306 1 7 . 1 1 69 69 PRO C C 499 177.444 177.444 177.096 0.348 18053 4307 1 7 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.927 1.150 18053 4308 1 7 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.931 0.845 18053 4309 1 7 . 1 1 70 70 LYS N N 500 113.552 113.552 114.961 -1.409 18053 4310 1 7 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.127 0.258 18053 4311 1 7 . 1 1 70 70 LYS C C 500 176.325 176.325 176.692 -0.367 18053 4312 1 7 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.987 -1.992 18053 4313 1 7 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.715 0.078 18053 4314 1 7 . 1 1 70 70 LYS H H 500 8.016 8.016 7.947 0.069 18053 4315 1 7 . 1 1 71 71 TYR N N 501 121.860 121.860 121.671 0.189 18053 4316 1 7 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.349 -0.619 18053 4317 1 7 . 1 1 71 71 TYR C C 501 174.838 174.838 174.018 0.820 18053 4318 1 7 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.465 2.845 18053 4319 1 7 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.122 -0.341 18053 4320 1 7 . 1 1 71 71 TYR H H 501 7.460 7.460 7.726 -0.266 18053 4321 1 7 . 1 1 72 72 ILE N N 502 129.487 129.487 128.195 1.292 18053 4322 1 7 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.411 -0.483 18053 4323 1 7 . 1 1 72 72 ILE C C 502 172.968 172.968 173.653 -0.685 18053 4324 1 7 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.665 -0.357 18053 4325 1 7 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.855 0.055 18053 4326 1 7 . 1 1 72 72 ILE H H 502 7.168 7.168 7.896 -0.728 18053 4327 1 7 . 1 1 73 73 LEU N N 503 128.278 128.278 128.690 -0.412 18053 4328 1 7 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.576 -0.083 18053 4329 1 7 . 1 1 73 73 LEU C C 503 175.834 175.834 175.411 0.423 18053 4330 1 7 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.208 -1.243 18053 4331 1 7 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.026 -1.478 18053 4332 1 7 . 1 1 73 73 LEU H H 503 8.483 8.483 8.267 0.216 18053 4333 1 7 . 1 1 74 74 ARG N N 504 129.589 129.589 125.129 4.460 18053 4334 1 7 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.153 -0.410 18053 4335 1 7 . 1 1 74 74 ARG C C 504 175.233 175.233 175.684 -0.451 18053 4336 1 7 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.811 1.040 18053 4337 1 7 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.620 -0.328 18053 4338 1 7 . 1 1 74 74 ARG H H 504 8.673 8.673 8.370 0.303 18053 4339 1 7 . 1 1 75 75 ALA N N 505 123.205 123.205 124.939 -1.734 18053 4340 1 7 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.284 -0.762 18053 4341 1 7 . 1 1 75 75 ALA C C 505 178.441 178.441 178.136 0.305 18053 4342 1 7 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.286 0.508 18053 4343 1 7 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.181 0.729 18053 4344 1 7 . 1 1 75 75 ALA H H 505 8.564 8.564 8.513 0.051 18053 4345 1 7 . 1 1 76 76 GLY N N 506 112.241 112.241 111.792 0.449 18053 4346 1 7 . 1 1 76 76 GLY C C 506 174.278 174.278 175.001 -0.723 18053 4347 1 7 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.289 1.436 18053 4348 1 7 . 1 1 76 76 GLY H H 506 7.381 7.381 8.810 -1.429 18053 4349 1 7 . 1 1 77 77 GLN N N 507 117.382 117.382 120.575 -3.193 18053 4350 1 7 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.544 -0.180 18053 4351 1 7 . 1 1 77 77 GLN C C 507 173.937 173.937 175.006 -1.069 18053 4352 1 7 . 1 1 77 77 GLN CA C 507 54.558 54.558 55.057 -0.499 18053 4353 1 7 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.822 0.251 18053 4354 1 7 . 1 1 77 77 GLN H H 507 7.996 7.996 7.617 0.379 18053 4355 1 7 . 1 1 78 78 MET N N 508 116.957 116.957 113.079 3.878 18053 4356 1 7 . 1 1 78 78 MET HA H 508 5.388 5.388 5.088 0.300 18053 4357 1 7 . 1 1 78 78 MET C C 508 175.807 175.807 174.089 1.718 18053 4358 1 7 . 1 1 78 78 MET CA C 508 54.067 54.067 54.719 -0.652 18053 4359 1 7 . 1 1 78 78 MET CB C 508 37.198 37.198 36.475 0.723 18053 4360 1 7 . 1 1 78 78 MET H H 508 8.092 8.092 8.088 0.004 18053 4361 1 7 . 1 1 79 79 VAL N N 509 119.340 119.340 121.992 -2.652 18053 4362 1 7 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.784 0.172 18053 4363 1 7 . 1 1 79 79 VAL C C 509 172.217 172.217 174.445 -2.228 18053 4364 1 7 . 1 1 79 79 VAL CA C 509 59.471 59.471 59.986 -0.515 18053 4365 1 7 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.250 -1.574 18053 4366 1 7 . 1 1 79 79 VAL H H 509 8.534 8.534 8.833 -0.299 18053 4367 1 7 . 1 1 80 80 THR N N 510 124.533 124.533 126.503 -1.970 18053 4368 1 7 . 1 1 80 80 THR HA H 510 4.586 4.586 4.835 -0.249 18053 4369 1 7 . 1 1 80 80 THR C C 510 172.215 172.215 174.120 -1.905 18053 4370 1 7 . 1 1 80 80 THR CA C 510 62.119 62.119 61.877 0.242 18053 4371 1 7 . 1 1 80 80 THR CB C 510 69.407 69.407 69.157 0.250 18053 4372 1 7 . 1 1 80 80 THR H H 510 8.301 8.301 8.723 -0.422 18053 4373 1 7 . 1 1 81 81 VAL N N 511 127.002 127.002 128.376 -1.374 18053 4374 1 7 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.555 0.041 18053 4375 1 7 . 1 1 81 81 VAL C C 511 176.667 176.667 175.710 0.957 18053 4376 1 7 . 1 1 81 81 VAL CA C 511 61.382 61.382 63.075 -1.693 18053 4377 1 7 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.067 -0.122 18053 4378 1 7 . 1 1 81 81 VAL H H 511 8.796 8.796 8.855 -0.059 18053 4379 1 7 . 1 1 82 82 TRP N N 512 131.479 131.479 129.584 1.895 18053 4380 1 7 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.489 -0.151 18053 4381 1 7 . 1 1 82 82 TRP C C 512 176.885 176.885 175.725 1.160 18053 4382 1 7 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.889 -0.447 18053 4383 1 7 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.193 -0.492 18053 4384 1 7 . 1 1 82 82 TRP H H 512 9.924 9.924 9.377 0.547 18053 4385 1 7 . 1 1 83 83 ALA N N 513 123.954 123.954 120.437 3.517 18053 4386 1 7 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.834 -0.526 18053 4387 1 7 . 1 1 83 83 ALA C C 513 178.140 178.140 176.939 1.201 18053 4388 1 7 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.237 1.974 18053 4389 1 7 . 1 1 83 83 ALA CB C 513 18.745 18.745 21.509 -2.764 18053 4390 1 7 . 1 1 83 83 ALA H H 513 9.048 9.048 8.661 0.387 18053 4391 1 7 . 1 1 84 84 ALA N N 514 125.146 125.146 122.559 2.587 18053 4392 1 7 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.064 -0.113 18053 4393 1 7 . 1 1 84 84 ALA C C 514 179.519 179.519 178.704 0.815 18053 4394 1 7 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.629 0.175 18053 4395 1 7 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.061 -0.479 18053 4396 1 7 . 1 1 84 84 ALA H H 514 8.341 8.341 8.161 0.180 18053 4397 1 7 . 1 1 85 85 GLY N N 515 103.388 103.388 105.224 -1.836 18053 4398 1 7 . 1 1 85 85 GLY C C 515 174.674 174.674 175.302 -0.628 18053 4399 1 7 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.801 0.077 18053 4400 1 7 . 1 1 85 85 GLY H H 515 7.996 7.996 7.682 0.314 18053 4401 1 7 . 1 1 86 86 ALA N N 516 120.140 120.140 122.354 -2.214 18053 4402 1 7 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.288 0.056 18053 4403 1 7 . 1 1 86 86 ALA C C 516 177.690 177.690 178.261 -0.571 18053 4404 1 7 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.610 0.529 18053 4405 1 7 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.026 1.521 18053 4406 1 7 . 1 1 86 86 ALA H H 516 7.474 7.474 7.926 -0.452 18053 4407 1 7 . 1 1 87 87 GLY N N 517 105.720 105.720 107.601 -1.881 18053 4408 1 7 . 1 1 87 87 GLY C C 517 173.650 173.650 175.031 -1.381 18053 4409 1 7 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.408 0.605 18053 4410 1 7 . 1 1 87 87 GLY H H 517 7.779 7.779 7.639 0.140 18053 4411 1 7 . 1 1 88 88 VAL N N 518 121.537 121.537 119.426 2.111 18053 4412 1 7 . 1 1 88 88 VAL HA H 518 3.585 3.585 3.986 -0.401 18053 4413 1 7 . 1 1 88 88 VAL C C 518 174.851 174.851 175.258 -0.407 18053 4414 1 7 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.271 0.003 18053 4415 1 7 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.589 0.787 18053 4416 1 7 . 1 1 88 88 VAL H H 518 7.499 7.499 7.697 -0.198 18053 4417 1 7 . 1 1 89 89 ALA N N 519 128.295 128.295 128.430 -0.135 18053 4418 1 7 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.270 -0.078 18053 4419 1 7 . 1 1 89 89 ALA C C 519 176.680 176.680 176.598 0.082 18053 4420 1 7 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.783 -0.500 18053 4421 1 7 . 1 1 89 89 ALA CB C 519 19.292 19.292 18.985 0.307 18053 4422 1 7 . 1 1 89 89 ALA H H 519 7.960 7.960 8.207 -0.247 18053 4423 1 7 . 1 1 90 90 HIS N N 520 122.643 122.643 124.496 -1.853 18053 4424 1 7 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.362 -0.329 18053 4425 1 7 . 1 1 90 90 HIS C C 520 175.793 175.793 174.385 1.408 18053 4426 1 7 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.060 2.593 18053 4427 1 7 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.901 2.384 18053 4428 1 7 . 1 1 90 90 HIS H H 520 8.394 8.394 8.887 -0.493 18053 4429 1 7 . 1 1 91 91 SER N N 521 121.247 121.247 123.652 -2.405 18053 4430 1 7 . 1 1 91 91 SER HA H 521 4.629 4.629 4.704 -0.075 18053 4431 1 7 . 1 1 91 91 SER CA C 521 55.843 55.843 55.816 0.027 18053 4432 1 7 . 1 1 91 91 SER CB C 521 62.367 62.367 63.459 -1.092 18053 4433 1 7 . 1 1 91 91 SER H H 521 8.569 8.569 8.205 0.364 18053 4434 1 7 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.828 -0.826 18053 4435 1 7 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.305 -0.061 18053 4436 1 7 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.449 -0.518 18053 4437 1 7 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.730 -0.058 18053 4438 1 7 . 1 1 93 93 PRO C C 523 177.786 177.786 178.228 -0.442 18053 4439 1 7 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.106 -0.103 18053 4440 1 7 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.094 2.811 18053 4441 1 7 . 1 1 94 94 SER N N 524 117.212 117.212 116.295 0.917 18053 4442 1 7 . 1 1 94 94 SER HA H 524 4.678 4.678 4.383 0.295 18053 4443 1 7 . 1 1 94 94 SER C C 524 174.851 174.851 174.473 0.378 18053 4444 1 7 . 1 1 94 94 SER CA C 524 61.874 61.874 61.569 0.305 18053 4445 1 7 . 1 1 94 94 SER CB C 524 64.057 64.057 63.569 0.488 18053 4446 1 7 . 1 1 94 94 SER H H 524 8.463 8.463 8.271 0.192 18053 4447 1 7 . 1 1 95 95 THR N N 525 121.588 121.588 118.038 3.550 18053 4448 1 7 . 1 1 95 95 THR HA H 525 4.859 4.859 5.103 -0.244 18053 4449 1 7 . 1 1 95 95 THR C C 525 172.094 172.094 173.006 -0.912 18053 4450 1 7 . 1 1 95 95 THR CA C 525 62.309 62.309 61.738 0.571 18053 4451 1 7 . 1 1 95 95 THR CB C 525 70.281 70.281 70.412 -0.131 18053 4452 1 7 . 1 1 95 95 THR H H 525 7.631 7.631 7.855 -0.224 18053 4453 1 7 . 1 1 96 96 LEU N N 526 127.274 127.274 128.999 -1.725 18053 4454 1 7 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.966 0.165 18053 4455 1 7 . 1 1 96 96 LEU C C 526 175.916 175.916 175.492 0.424 18053 4456 1 7 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.201 -2.126 18053 4457 1 7 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.951 -0.161 18053 4458 1 7 . 1 1 96 96 LEU H H 526 8.977 8.977 8.406 0.571 18053 4459 1 7 . 1 1 97 97 VAL N N 527 124.056 124.056 121.508 2.548 18053 4460 1 7 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.505 0.364 18053 4461 1 7 . 1 1 97 97 VAL C C 527 176.230 176.230 175.390 0.840 18053 4462 1 7 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.546 -0.027 18053 4463 1 7 . 1 1 97 97 VAL CB C 527 33.704 33.704 32.859 0.845 18053 4464 1 7 . 1 1 97 97 VAL H H 527 10.724 10.724 8.083 2.641 18053 4465 1 7 . 1 1 98 98 TRP N N 528 132.586 132.586 131.394 1.192 18053 4466 1 7 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.337 0.628 18053 4467 1 7 . 1 1 98 98 TRP C C 528 173.391 173.391 174.796 -1.405 18053 4468 1 7 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.296 -1.993 18053 4469 1 7 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.354 -0.108 18053 4470 1 7 . 1 1 98 98 TRP H H 528 9.400 9.400 8.866 0.534 18053 4471 1 7 . 1 1 99 99 LYS N N 529 126.644 126.644 128.989 -2.345 18053 4472 1 7 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.124 -0.285 18053 4473 1 7 . 1 1 99 99 LYS C C 529 177.581 177.581 177.314 0.267 18053 4474 1 7 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.557 0.986 18053 4475 1 7 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.884 -0.708 18053 4476 1 7 . 1 1 99 99 LYS H H 529 8.153 8.153 8.034 0.119 18053 4477 1 7 . 1 1 100 100 GLY N N 530 110.385 110.385 112.209 -1.824 18053 4478 1 7 . 1 1 100 100 GLY C C 530 172.367 172.367 173.754 -1.387 18053 4479 1 7 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.949 0.329 18053 4480 1 7 . 1 1 100 100 GLY H H 530 8.363 8.363 8.517 -0.154 18053 4481 1 7 . 1 1 101 101 GLN N N 531 121.162 121.162 121.396 -0.234 18053 4482 1 7 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.222 -0.250 18053 4483 1 7 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.477 -0.857 18053 4484 1 7 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.633 -1.038 18053 4485 1 7 . 1 1 101 101 GLN H H 531 6.815 6.815 7.254 -0.439 18053 4486 1 7 . 1 1 102 102 SER N N 532 122.728 122.728 122.368 0.360 18053 4487 1 7 . 1 1 102 102 SER HA H 532 3.866 3.866 4.372 -0.506 18053 4488 1 7 . 1 1 102 102 SER C C 532 174.537 174.537 176.101 -1.564 18053 4489 1 7 . 1 1 102 102 SER CA C 532 61.983 61.983 61.548 0.435 18053 4490 1 7 . 1 1 102 102 SER CB C 532 62.802 62.802 63.174 -0.372 18053 4491 1 7 . 1 1 102 102 SER H H 532 8.662 8.662 8.631 0.031 18053 4492 1 7 . 1 1 103 103 SER N N 533 110.811 110.811 118.935 -8.124 18053 4493 1 7 . 1 1 103 103 SER HA H 533 4.240 4.240 4.339 -0.099 18053 4494 1 7 . 1 1 103 103 SER C C 533 174.087 174.087 174.564 -0.477 18053 4495 1 7 . 1 1 103 103 SER CA C 533 56.633 56.633 58.913 -2.280 18053 4496 1 7 . 1 1 103 103 SER CB C 533 64.658 64.658 63.517 1.141 18053 4497 1 7 . 1 1 103 103 SER H H 533 7.134 7.134 8.041 -0.907 18053 4498 1 7 . 1 1 104 104 TRP N N 534 126.133 126.133 121.372 4.761 18053 4499 1 7 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.218 -0.120 18053 4500 1 7 . 1 1 104 104 TRP C C 534 176.066 176.066 175.705 0.361 18053 4501 1 7 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.172 2.955 18053 4502 1 7 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.910 -0.146 18053 4503 1 7 . 1 1 104 104 TRP H H 534 9.764 9.764 7.901 1.863 18053 4504 1 7 . 1 1 105 105 GLY N N 535 105.907 105.907 104.856 1.051 18053 4505 1 7 . 1 1 105 105 GLY C C 535 172.217 172.217 173.993 -1.776 18053 4506 1 7 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.956 -0.716 18053 4507 1 7 . 1 1 105 105 GLY H H 535 8.095 8.095 8.395 -0.300 18053 4508 1 7 . 1 1 106 106 THR N N 536 111.253 111.253 114.641 -3.388 18053 4509 1 7 . 1 1 106 106 THR HA H 536 3.859 3.859 4.162 -0.303 18053 4510 1 7 . 1 1 106 106 THR C C 536 172.872 172.872 173.965 -1.093 18053 4511 1 7 . 1 1 106 106 THR CA C 536 59.635 59.635 62.815 -3.180 18053 4512 1 7 . 1 1 106 106 THR CB C 536 70.526 70.526 70.162 0.364 18053 4513 1 7 . 1 1 106 106 THR H H 536 7.913 7.913 7.596 0.317 18053 4514 1 7 . 1 1 107 107 GLY N N 537 107.712 107.712 112.965 -5.253 18053 4515 1 7 . 1 1 107 107 GLY C C 537 172.709 172.709 173.055 -0.346 18053 4516 1 7 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.637 -0.471 18053 4517 1 7 . 1 1 107 107 GLY H H 537 7.533 7.533 7.944 -0.411 18053 4518 1 7 . 1 1 108 108 GLU N N 538 118.864 118.864 119.333 -0.469 18053 4519 1 7 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.270 -0.134 18053 4520 1 7 . 1 1 108 108 GLU C C 538 176.353 176.353 175.803 0.550 18053 4521 1 7 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.805 0.547 18053 4522 1 7 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.625 -0.469 18053 4523 1 7 . 1 1 108 108 GLU H H 538 8.558 8.558 8.636 -0.078 18053 4524 1 7 . 1 1 109 109 SER N N 539 110.419 110.419 112.825 -2.406 18053 4525 1 7 . 1 1 109 109 SER HA H 539 4.963 4.963 4.583 0.380 18053 4526 1 7 . 1 1 109 109 SER C C 539 173.787 173.787 172.751 1.036 18053 4527 1 7 . 1 1 109 109 SER CA C 539 57.125 57.125 57.889 -0.764 18053 4528 1 7 . 1 1 109 109 SER CB C 539 64.439 64.439 64.868 -0.429 18053 4529 1 7 . 1 1 109 109 SER H H 539 7.620 7.620 7.937 -0.317 18053 4530 1 7 . 1 1 110 110 PHE N N 540 118.778 118.778 119.852 -1.074 18053 4531 1 7 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.345 -0.264 18053 4532 1 7 . 1 1 110 110 PHE C C 540 176.052 176.052 173.418 2.634 18053 4533 1 7 . 1 1 110 110 PHE CA C 540 56.789 56.789 55.814 0.975 18053 4534 1 7 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.116 -1.356 18053 4535 1 7 . 1 1 110 110 PHE H H 540 8.318 8.318 8.075 0.243 18053 4536 1 7 . 1 1 112 112 THR HA H 542 5.468 5.468 4.858 0.610 18053 4537 1 7 . 1 1 112 112 THR C C 542 172.381 172.381 174.082 -1.701 18053 4538 1 7 . 1 1 112 112 THR CA C 542 61.818 61.818 63.163 -1.345 18053 4539 1 7 . 1 1 112 112 THR CB C 542 70.990 70.990 68.914 2.076 18053 4540 1 7 . 1 1 113 113 VAL N N 543 124.771 124.771 128.663 -3.892 18053 4541 1 7 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.320 0.544 18053 4542 1 7 . 1 1 113 113 VAL C C 543 173.132 173.132 174.133 -1.001 18053 4543 1 7 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.447 -1.348 18053 4544 1 7 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.604 2.829 18053 4545 1 7 . 1 1 113 113 VAL H H 543 9.380 9.380 8.570 0.810 18053 4546 1 7 . 1 1 114 114 LEU N N 544 128.789 128.789 129.583 -0.794 18053 4547 1 7 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.068 0.252 18053 4548 1 7 . 1 1 114 114 LEU C C 544 174.237 174.237 175.392 -1.155 18053 4549 1 7 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.958 -0.765 18053 4550 1 7 . 1 1 114 114 LEU CB C 544 45.879 45.879 43.611 2.268 18053 4551 1 7 . 1 1 114 114 LEU H H 544 8.948 8.948 8.302 0.646 18053 4552 1 7 . 1 1 115 115 VAL N N 545 127.002 127.002 127.493 -0.491 18053 4553 1 7 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.545 0.309 18053 4554 1 7 . 1 1 115 115 VAL C C 545 175.206 175.206 174.626 0.580 18053 4555 1 7 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.615 -1.281 18053 4556 1 7 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.488 0.007 18053 4557 1 7 . 1 1 115 115 VAL H H 545 9.564 9.564 8.954 0.610 18053 4558 1 7 . 1 1 116 116 ASN N N 546 121.179 121.179 123.567 -2.388 18053 4559 1 7 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.900 -1.003 18053 4560 1 7 . 1 1 116 116 ASN C C 546 176.885 176.885 175.862 1.023 18053 4561 1 7 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.030 -0.621 18053 4562 1 7 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.602 -2.963 18053 4563 1 7 . 1 1 116 116 ASN H H 546 8.016 8.016 7.797 0.219 18053 4564 1 7 . 1 1 117 117 ALA N N 547 119.834 119.834 122.112 -2.278 18053 4565 1 7 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.077 -0.211 18053 4566 1 7 . 1 1 117 117 ALA C C 547 177.772 177.772 178.022 -0.250 18053 4567 1 7 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.447 0.057 18053 4568 1 7 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.420 -0.220 18053 4569 1 7 . 1 1 117 117 ALA H H 547 6.444 6.444 7.893 -1.449 18053 4570 1 7 . 1 1 118 118 ASP N N 548 115.646 115.646 117.516 -1.870 18053 4571 1 7 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.417 0.227 18053 4572 1 7 . 1 1 118 118 ASP C C 548 176.052 176.052 177.317 -1.265 18053 4573 1 7 . 1 1 118 118 ASP CA C 548 54.067 54.067 54.958 -0.890 18053 4574 1 7 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.149 0.525 18053 4575 1 7 . 1 1 118 118 ASP H H 548 7.181 7.181 8.152 -0.971 18053 4576 1 7 . 1 1 119 119 GLY N N 549 107.167 107.167 106.396 0.771 18053 4577 1 7 . 1 1 119 119 GLY C C 549 173.841 173.841 173.779 0.062 18053 4578 1 7 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.672 0.783 18053 4579 1 7 . 1 1 119 119 GLY H H 549 7.738 7.738 7.646 0.092 18053 4580 1 7 . 1 1 120 120 GLU N N 550 121.196 121.196 121.941 -0.745 18053 4581 1 7 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.194 -0.082 18053 4582 1 7 . 1 1 120 120 GLU C C 550 175.588 175.588 176.016 -0.428 18053 4583 1 7 . 1 1 120 120 GLU CA C 550 54.831 54.831 56.286 -1.455 18053 4584 1 7 . 1 1 120 120 GLU CB C 550 29.937 29.937 29.960 -0.023 18053 4585 1 7 . 1 1 120 120 GLU H H 550 7.587 7.587 7.783 -0.196 18053 4586 1 7 . 1 1 121 121 GLU N N 551 123.886 123.886 125.533 -1.647 18053 4587 1 7 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.271 0.005 18053 4588 1 7 . 1 1 121 121 GLU C C 551 176.817 176.817 176.423 0.394 18053 4589 1 7 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.735 0.061 18053 4590 1 7 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.233 -0.278 18053 4591 1 7 . 1 1 121 121 GLU H H 551 8.697 8.697 8.712 -0.015 18053 4592 1 7 . 1 1 122 122 VAL N N 552 120.055 120.055 121.088 -1.033 18053 4593 1 7 . 1 1 122 122 VAL HA H 552 4.364 4.364 3.967 0.397 18053 4594 1 7 . 1 1 122 122 VAL C C 552 175.998 175.998 175.496 0.502 18053 4595 1 7 . 1 1 122 122 VAL CA C 552 61.655 61.655 63.252 -1.597 18053 4596 1 7 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.432 0.617 18053 4597 1 7 . 1 1 122 122 VAL H H 552 8.845 8.845 8.086 0.759 18053 4598 1 7 . 1 1 123 123 ALA N N 553 122.098 122.098 120.628 1.470 18053 4599 1 7 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.669 0.221 18053 4600 1 7 . 1 1 123 123 ALA C C 553 175.261 175.261 175.094 0.167 18053 4601 1 7 . 1 1 123 123 ALA CA C 553 52.757 52.757 50.749 2.008 18053 4602 1 7 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.022 0.245 18053 4603 1 7 . 1 1 123 123 ALA H H 553 7.788 7.788 7.766 0.022 18053 4604 1 7 . 1 1 124 124 MET N N 554 118.217 118.217 120.201 -1.984 18053 4605 1 7 . 1 1 124 124 MET HA H 554 5.286 5.286 4.641 0.645 18053 4606 1 7 . 1 1 124 124 MET C C 554 174.428 174.428 174.425 0.003 18053 4607 1 7 . 1 1 124 124 MET CA C 554 55.104 55.104 55.998 -0.894 18053 4608 1 7 . 1 1 124 124 MET CB C 554 35.342 35.342 35.950 -0.608 18053 4609 1 7 . 1 1 124 124 MET H H 554 8.693 8.693 8.361 0.332 18053 4610 1 7 . 1 1 125 125 ARG N N 555 122.132 122.132 127.232 -5.100 18053 4611 1 7 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.716 0.184 18053 4612 1 7 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.582 0.806 18053 4613 1 7 . 1 1 125 125 ARG CB C 555 34.378 34.378 32.798 1.580 18053 4614 1 7 . 1 1 125 125 ARG H H 555 8.919 8.919 8.780 0.139 18053 4615 1 7 . 1 1 126 126 THR HA H 556 4.685 4.685 4.480 0.205 18053 4616 1 7 . 1 1 126 126 THR C C 556 172.436 172.436 173.699 -1.263 18053 4617 1 7 . 1 1 126 126 THR CA C 556 61.382 61.382 63.182 -1.800 18053 4618 1 7 . 1 1 126 126 THR CB C 556 70.444 70.444 68.899 1.545 18053 4619 1 7 . 1 1 127 127 VAL N N 557 124.976 124.976 128.863 -3.887 18053 4620 1 7 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.035 0.111 18053 4621 1 7 . 1 1 127 127 VAL C C 557 173.937 173.937 173.997 -0.060 18053 4622 1 7 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.858 0.251 18053 4623 1 7 . 1 1 127 127 VAL CB C 557 33.759 33.759 32.840 0.919 18053 4624 1 7 . 1 1 127 127 VAL H H 557 8.127 8.127 8.182 -0.056 18053 4625 1 7 . 1 1 128 128 LYS N N 558 125.384 125.384 127.499 -2.115 18053 4626 1 7 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.218 0.488 18053 4627 1 7 . 1 1 128 128 LYS C C 558 175.534 175.534 175.786 -0.252 18053 4628 1 7 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.670 0.216 18053 4629 1 7 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.119 1.554 18053 4630 1 7 . 1 1 128 128 LYS H H 558 8.289 8.289 8.490 -0.201 18053 4631 1 7 . 1 1 129 129 LYS N N 559 124.005 124.005 124.817 -0.812 18053 4632 1 7 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.341 -0.031 18053 4633 1 7 . 1 1 129 129 LYS C C 559 176.571 176.571 177.192 -0.621 18053 4634 1 7 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.005 -0.263 18053 4635 1 7 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.056 1.306 18053 4636 1 7 . 1 1 129 129 LYS H H 559 8.461 8.461 7.894 0.567 18053 4637 1 7 . 1 1 130 130 SER N N 560 117.195 117.195 121.052 -3.857 18053 4638 1 7 . 1 1 130 130 SER HA H 560 4.384 4.384 4.315 0.069 18053 4639 1 7 . 1 1 130 130 SER C C 560 174.565 174.565 174.729 -0.164 18053 4640 1 7 . 1 1 130 130 SER CA C 560 58.434 58.434 59.822 -1.388 18053 4641 1 7 . 1 1 130 130 SER CB C 560 63.812 63.812 63.651 0.161 18053 4642 1 7 . 1 1 130 130 SER H H 560 8.465 8.465 8.514 -0.049 18053 4643 1 7 . 1 1 131 131 SER N N 561 118.149 118.149 111.773 6.376 18053 4644 1 7 . 1 1 131 131 SER HA H 561 4.412 4.412 4.542 -0.130 18053 4645 1 7 . 1 1 131 131 SER C C 561 174.456 174.456 172.751 1.705 18053 4646 1 7 . 1 1 131 131 SER CA C 561 58.489 58.489 56.944 1.546 18053 4647 1 7 . 1 1 131 131 SER CB C 561 63.811 63.811 64.389 -0.578 18053 4648 1 7 . 1 1 131 131 SER H H 561 8.336 8.336 7.414 0.922 18053 4649 1 7 . 1 1 132 132 VAL N N 562 121.332 121.332 117.396 3.936 18053 4650 1 7 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.482 -0.447 18053 4651 1 7 . 1 1 132 132 VAL C C 562 176.066 176.066 175.292 0.774 18053 4652 1 7 . 1 1 132 132 VAL CA C 562 62.446 62.446 61.924 0.522 18053 4653 1 7 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.640 -0.246 18053 4654 1 7 . 1 1 132 132 VAL H H 562 7.982 7.982 8.332 -0.350 18053 4655 1 7 . 1 1 133 133 MET N N 563 124.022 124.022 121.051 2.971 18053 4656 1 7 . 1 1 133 133 MET HA H 563 4.385 4.385 4.678 -0.293 18053 4657 1 7 . 1 1 133 133 MET C C 563 176.039 176.039 175.463 0.576 18053 4658 1 7 . 1 1 133 133 MET CA C 563 55.350 55.350 55.493 -0.143 18053 4659 1 7 . 1 1 133 133 MET CB C 563 32.503 32.503 33.620 -1.117 18053 4660 1 7 . 1 1 133 133 MET H H 563 8.295 8.295 7.674 0.621 18053 4661 1 7 . 1 1 134 134 ARG N N 564 122.677 122.677 120.690 1.987 18053 4662 1 7 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.117 0.145 18053 4663 1 7 . 1 1 134 134 ARG C C 564 176.298 176.298 174.457 1.841 18053 4664 1 7 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.545 -0.458 18053 4665 1 7 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.020 -0.318 18053 4666 1 7 . 1 1 134 134 ARG H H 564 8.295 8.295 8.460 -0.165 18053 4667 1 7 . 1 1 135 135 GLU N N 565 121.945 121.945 123.958 -2.013 18053 4668 1 7 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.635 -0.475 18053 4669 1 7 . 1 1 135 135 GLU C C 565 176.080 176.080 175.843 0.237 18053 4670 1 7 . 1 1 135 135 GLU CA C 565 56.906 56.906 55.987 0.919 18053 4671 1 7 . 1 1 135 135 GLU CB C 565 29.774 29.774 30.640 -0.866 18053 4672 1 7 . 1 1 135 135 GLU H H 565 8.470 8.470 8.574 -0.104 18053 4673 1 7 . 1 1 136 136 ASN N N 566 118.761 118.761 122.135 -3.374 18053 4674 1 7 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.882 -0.265 18053 4675 1 7 . 1 1 136 136 ASN C C 566 175.315 175.315 175.734 -0.419 18053 4676 1 7 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.873 -0.680 18053 4677 1 7 . 1 1 136 136 ASN CB C 566 38.836 38.836 39.233 -0.397 18053 4678 1 7 . 1 1 136 136 ASN H H 566 8.341 8.341 8.898 -0.557 18053 4679 1 7 . 1 1 137 137 GLU N N 567 121.349 121.349 121.422 -0.073 18053 4680 1 7 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.595 -0.443 18053 4681 1 7 . 1 1 137 137 GLU C C 567 176.243 176.243 176.450 -0.207 18053 4682 1 7 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.217 -0.311 18053 4683 1 7 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.297 -0.305 18053 4684 1 7 . 1 1 137 137 GLU H H 567 8.349 8.349 8.265 0.084 18053 4685 1 7 . 1 1 138 138 ASN N N 568 118.761 118.761 118.298 0.463 18053 4686 1 7 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.532 0.180 18053 4687 1 7 . 1 1 138 138 ASN C C 568 174.551 174.551 174.441 0.110 18053 4688 1 7 . 1 1 138 138 ASN CA C 568 53.193 53.193 52.655 0.538 18053 4689 1 7 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.206 1.121 18053 4690 1 7 . 1 1 138 138 ASN H H 568 8.397 8.397 8.333 0.064 18053 4691 1 8 . 1 1 20 20 ALA N N 450 125.180 125.180 127.122 -1.942 18053 4692 1 8 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.579 0.127 18053 4693 1 8 . 1 1 20 20 ALA C C 450 177.226 177.226 176.668 0.558 18053 4694 1 8 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.989 0.768 18053 4695 1 8 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.636 1.775 18053 4696 1 8 . 1 1 20 20 ALA H H 450 8.484 8.484 8.439 0.045 18053 4697 1 8 . 1 1 21 21 SER N N 451 115.714 115.714 116.857 -1.143 18053 4698 1 8 . 1 1 21 21 SER HA H 451 4.513 4.513 4.473 0.040 18053 4699 1 8 . 1 1 21 21 SER C C 451 174.742 174.742 174.935 -0.193 18053 4700 1 8 . 1 1 21 21 SER CA C 451 58.516 58.516 57.188 1.328 18053 4701 1 8 . 1 1 21 21 SER CB C 451 64.159 64.159 64.371 -0.212 18053 4702 1 8 . 1 1 21 21 SER H H 451 8.487 8.487 7.802 0.685 18053 4703 1 8 . 1 1 22 22 GLY N N 452 111.509 111.509 114.094 -2.585 18053 4704 1 8 . 1 1 22 22 GLY C C 452 174.401 174.401 175.073 -0.672 18053 4705 1 8 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.522 -0.463 18053 4706 1 8 . 1 1 22 22 GLY H H 452 8.198 8.198 8.655 -0.457 18053 4707 1 8 . 1 1 23 23 SER N N 453 116.191 116.191 115.252 0.939 18053 4708 1 8 . 1 1 23 23 SER HA H 453 4.364 4.364 4.391 -0.027 18053 4709 1 8 . 1 1 23 23 SER C C 453 173.432 173.432 174.168 -0.736 18053 4710 1 8 . 1 1 23 23 SER CA C 453 59.744 59.744 60.383 -0.639 18053 4711 1 8 . 1 1 23 23 SER CB C 453 64.335 64.335 63.700 0.635 18053 4712 1 8 . 1 1 23 23 SER H H 453 8.494 8.494 8.499 -0.005 18053 4713 1 8 . 1 1 24 24 VAL N N 454 121.656 121.656 117.569 4.087 18053 4714 1 8 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.509 0.526 18053 4715 1 8 . 1 1 24 24 VAL C C 454 174.606 174.606 174.794 -0.188 18053 4716 1 8 . 1 1 24 24 VAL CA C 454 61.055 61.055 60.203 0.852 18053 4717 1 8 . 1 1 24 24 VAL CB C 454 32.503 32.503 34.364 -1.861 18053 4718 1 8 . 1 1 24 24 VAL H H 454 7.830 7.830 7.691 0.139 18053 4719 1 8 . 1 1 25 25 SER N N 455 119.323 119.323 117.024 2.299 18053 4720 1 8 . 1 1 25 25 SER HA H 455 4.672 4.672 4.905 -0.233 18053 4721 1 8 . 1 1 25 25 SER C C 455 174.426 174.426 173.223 1.203 18053 4722 1 8 . 1 1 25 25 SER CA C 455 55.268 55.268 55.239 0.029 18053 4723 1 8 . 1 1 25 25 SER CB C 455 65.162 65.162 65.913 -0.751 18053 4724 1 8 . 1 1 25 25 SER H H 455 9.065 9.065 8.679 0.386 18053 4725 1 8 . 1 1 26 26 ILE N N 456 119.468 119.468 124.924 -5.456 18053 4726 1 8 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.028 0.152 18053 4727 1 8 . 1 1 26 26 ILE C C 456 175.506 175.506 175.235 0.271 18053 4728 1 8 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.373 -1.045 18053 4729 1 8 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.394 0.568 18053 4730 1 8 . 1 1 26 26 ILE H H 456 8.295 8.295 8.696 -0.401 18053 4731 1 8 . 1 1 27 27 GLU N N 457 129.726 129.726 129.132 0.594 18053 4732 1 8 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.288 -0.060 18053 4733 1 8 . 1 1 27 27 GLU C C 457 175.179 175.179 176.472 -1.293 18053 4734 1 8 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.635 -2.203 18053 4735 1 8 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.804 -0.662 18053 4736 1 8 . 1 1 27 27 GLU H H 457 8.393 8.393 8.457 -0.064 18053 4737 1 8 . 1 1 28 28 GLU N N 458 117.076 117.076 116.572 0.504 18053 4738 1 8 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.679 -0.511 18053 4739 1 8 . 1 1 28 28 GLU C C 458 174.701 174.701 174.780 -0.079 18053 4740 1 8 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.022 1.884 18053 4741 1 8 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.082 -2.234 18053 4742 1 8 . 1 1 28 28 GLU H H 458 7.489 7.489 7.865 -0.376 18053 4743 1 8 . 1 1 29 29 ILE N N 459 122.183 122.183 118.838 3.345 18053 4744 1 8 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.916 -0.152 18053 4745 1 8 . 1 1 29 29 ILE C C 459 174.169 174.169 174.494 -0.325 18053 4746 1 8 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.338 0.188 18053 4747 1 8 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.325 -1.016 18053 4748 1 8 . 1 1 29 29 ILE H H 459 8.126 8.126 8.146 -0.020 18053 4749 1 8 . 1 1 30 30 ASP N N 460 123.205 123.205 122.945 0.260 18053 4750 1 8 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.077 0.106 18053 4751 1 8 . 1 1 30 30 ASP C C 460 178.318 178.318 177.790 0.528 18053 4752 1 8 . 1 1 30 30 ASP CA C 460 53.930 53.930 54.024 -0.094 18053 4753 1 8 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.242 0.565 18053 4754 1 8 . 1 1 30 30 ASP H H 460 6.704 6.704 7.499 -0.795 18053 4755 1 8 . 1 1 31 31 LEU N N 461 128.551 128.551 122.389 6.162 18053 4756 1 8 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.068 -0.004 18053 4757 1 8 . 1 1 31 31 LEU C C 461 177.513 177.513 177.660 -0.147 18053 4758 1 8 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.704 0.420 18053 4759 1 8 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.626 -0.389 18053 4760 1 8 . 1 1 31 31 LEU H H 461 9.012 9.012 8.309 0.703 18053 4761 1 8 . 1 1 32 32 GLU N N 462 115.101 115.101 116.902 -1.801 18053 4762 1 8 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.392 -0.109 18053 4763 1 8 . 1 1 32 32 GLU C C 462 177.062 177.062 176.922 0.140 18053 4764 1 8 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.846 -1.087 18053 4765 1 8 . 1 1 32 32 GLU CB C 462 29.569 29.569 31.085 -1.516 18053 4766 1 8 . 1 1 32 32 GLU H H 462 7.588 7.588 8.276 -0.688 18053 4767 1 8 . 1 1 33 33 GLY N N 463 106.299 106.299 106.777 -0.478 18053 4768 1 8 . 1 1 33 33 GLY C C 463 174.824 174.824 175.219 -0.395 18053 4769 1 8 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.233 1.573 18053 4770 1 8 . 1 1 33 33 GLY H H 463 7.372 7.372 8.208 -0.836 18053 4771 1 8 . 1 1 34 34 LYS N N 464 118.744 118.744 119.151 -0.407 18053 4772 1 8 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.412 0.150 18053 4773 1 8 . 1 1 34 34 LYS C C 464 177.076 177.076 175.213 1.863 18053 4774 1 8 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.953 2.010 18053 4775 1 8 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.310 -0.199 18053 4776 1 8 . 1 1 34 34 LYS H H 464 9.547 9.547 8.348 1.199 18053 4777 1 8 . 1 1 35 35 PHE N N 465 109.125 109.125 112.899 -3.774 18053 4778 1 8 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.326 0.188 18053 4779 1 8 . 1 1 35 35 PHE C C 465 174.183 174.183 172.714 1.469 18053 4780 1 8 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.578 1.054 18053 4781 1 8 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.985 -0.386 18053 4782 1 8 . 1 1 35 35 PHE H H 465 6.740 6.740 7.184 -0.444 18053 4783 1 8 . 1 1 36 36 VAL N N 466 119.579 119.579 119.758 -0.179 18053 4784 1 8 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.152 -0.443 18053 4785 1 8 . 1 1 36 36 VAL C C 466 172.668 172.668 174.352 -1.684 18053 4786 1 8 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.270 1.422 18053 4787 1 8 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.114 2.101 18053 4788 1 8 . 1 1 36 36 VAL H H 466 7.628 7.628 8.984 -1.356 18053 4789 1 8 . 1 1 37 37 GLN N N 467 126.831 126.831 127.725 -0.894 18053 4790 1 8 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.657 0.792 18053 4791 1 8 . 1 1 37 37 GLN C C 467 174.797 174.797 174.709 0.088 18053 4792 1 8 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.847 -0.726 18053 4793 1 8 . 1 1 37 37 GLN CB C 467 34.623 34.623 28.886 5.737 18053 4794 1 8 . 1 1 37 37 GLN H H 467 8.392 8.392 8.271 0.121 18053 4795 1 8 . 1 1 38 38 LEU N N 468 123.018 123.018 127.680 -4.662 18053 4796 1 8 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.083 0.339 18053 4797 1 8 . 1 1 38 38 LEU C C 468 175.588 175.588 176.207 -0.619 18053 4798 1 8 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.827 -1.125 18053 4799 1 8 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.452 0.594 18053 4800 1 8 . 1 1 38 38 LEU H H 468 9.103 9.103 8.685 0.418 18053 4801 1 8 . 1 1 39 39 LYS N N 469 118.983 118.983 120.614 -1.631 18053 4802 1 8 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.671 0.181 18053 4803 1 8 . 1 1 39 39 LYS C C 469 173.309 173.309 174.397 -1.088 18053 4804 1 8 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.547 0.447 18053 4805 1 8 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.491 1.755 18053 4806 1 8 . 1 1 39 39 LYS H H 469 8.496 8.496 8.872 -0.376 18053 4807 1 8 . 1 1 40 40 ASN N N 470 121.758 121.758 124.791 -3.033 18053 4808 1 8 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.721 0.067 18053 4809 1 8 . 1 1 40 40 ASN C C 470 174.496 174.496 175.099 -0.603 18053 4810 1 8 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.514 -1.395 18053 4811 1 8 . 1 1 40 40 ASN CB C 470 37.559 37.559 38.995 -1.436 18053 4812 1 8 . 1 1 40 40 ASN H H 470 8.283 8.283 8.753 -0.470 18053 4813 1 8 . 1 1 41 41 ASN N N 471 122.422 122.422 124.469 -2.047 18053 4814 1 8 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.651 -0.063 18053 4815 1 8 . 1 1 41 41 ASN C C 471 174.810 174.810 175.482 -0.672 18053 4816 1 8 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.574 0.411 18053 4817 1 8 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.599 1.001 18053 4818 1 8 . 1 1 41 41 ASN H H 471 8.681 8.681 8.412 0.269 18053 4819 1 8 . 1 1 42 42 SER N N 472 116.446 116.446 116.070 0.376 18053 4820 1 8 . 1 1 42 42 SER HA H 472 4.719 4.719 4.336 0.383 18053 4821 1 8 . 1 1 42 42 SER C C 472 172.804 172.804 175.224 -2.420 18053 4822 1 8 . 1 1 42 42 SER CA C 472 57.288 57.288 59.483 -2.195 18053 4823 1 8 . 1 1 42 42 SER CB C 472 66.241 66.241 64.162 2.079 18053 4824 1 8 . 1 1 42 42 SER H H 472 8.370 8.370 7.630 0.740 18053 4825 1 8 . 1 1 43 43 ASP N N 473 117.706 117.706 121.868 -4.162 18053 4826 1 8 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.462 0.012 18053 4827 1 8 . 1 1 43 43 ASP C C 473 175.343 175.343 175.493 -0.150 18053 4828 1 8 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.828 -2.307 18053 4829 1 8 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.198 -0.876 18053 4830 1 8 . 1 1 43 43 ASP H H 473 8.254 8.254 8.607 -0.353 18053 4831 1 8 . 1 1 44 44 LYS N N 474 120.209 120.209 116.633 3.576 18053 4832 1 8 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.435 0.134 18053 4833 1 8 . 1 1 44 44 LYS C C 474 175.397 175.397 174.697 0.700 18053 4834 1 8 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.536 -0.524 18053 4835 1 8 . 1 1 44 44 LYS CB C 474 35.383 35.383 33.818 1.565 18053 4836 1 8 . 1 1 44 44 LYS H H 474 8.305 8.305 7.328 0.977 18053 4837 1 8 . 1 1 45 45 ASP N N 475 124.993 124.993 120.794 4.199 18053 4838 1 8 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.504 -0.529 18053 4839 1 8 . 1 1 45 45 ASP C C 475 174.810 174.810 175.891 -1.081 18053 4840 1 8 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.849 -0.854 18053 4841 1 8 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.255 0.109 18053 4842 1 8 . 1 1 45 45 ASP H H 475 8.722 8.722 8.532 0.190 18053 4843 1 8 . 1 1 46 46 GLN N N 476 120.549 120.549 126.584 -6.035 18053 4844 1 8 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.392 0.044 18053 4845 1 8 . 1 1 46 46 GLN C C 476 174.019 174.019 175.194 -1.175 18053 4846 1 8 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.308 -1.170 18053 4847 1 8 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.351 2.115 18053 4848 1 8 . 1 1 46 46 GLN H H 476 7.878 7.878 8.143 -0.265 18053 4849 1 8 . 1 1 47 47 SER N N 477 121.537 121.537 121.876 -0.339 18053 4850 1 8 . 1 1 47 47 SER HA H 477 4.229 4.229 4.268 -0.039 18053 4851 1 8 . 1 1 47 47 SER C C 477 174.565 174.565 173.796 0.769 18053 4852 1 8 . 1 1 47 47 SER CA C 477 58.706 58.706 58.215 0.491 18053 4853 1 8 . 1 1 47 47 SER CB C 477 62.965 62.965 63.091 -0.126 18053 4854 1 8 . 1 1 47 47 SER H H 477 8.748 8.748 8.667 0.081 18053 4855 1 8 . 1 1 48 48 LEU N N 478 127.751 127.751 125.101 2.650 18053 4856 1 8 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.370 -1.739 18053 4857 1 8 . 1 1 48 48 LEU C C 478 176.789 176.789 176.463 0.326 18053 4858 1 8 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.225 -2.123 18053 4859 1 8 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.858 -1.515 18053 4860 1 8 . 1 1 48 48 LEU H H 478 7.856 7.856 7.719 0.137 18053 4861 1 8 . 1 1 49 49 GLY N N 479 107.525 107.525 108.701 -1.176 18053 4862 1 8 . 1 1 49 49 GLY C C 479 176.653 176.653 175.540 1.113 18053 4863 1 8 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.835 2.227 18053 4864 1 8 . 1 1 49 49 GLY H H 479 7.728 7.728 8.756 -1.028 18053 4865 1 8 . 1 1 50 50 ASN N N 480 117.059 117.059 119.802 -2.743 18053 4866 1 8 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.608 -0.353 18053 4867 1 8 . 1 1 50 50 ASN C C 480 174.961 174.961 174.878 0.083 18053 4868 1 8 . 1 1 50 50 ASN CA C 480 56.360 56.360 55.105 1.255 18053 4869 1 8 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.769 -1.353 18053 4870 1 8 . 1 1 50 50 ASN H H 480 7.552 7.552 8.731 -1.179 18053 4871 1 8 . 1 1 51 51 TRP N N 481 122.166 122.166 119.312 2.854 18053 4872 1 8 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.674 -0.197 18053 4873 1 8 . 1 1 51 51 TRP C C 481 175.575 175.575 175.883 -0.308 18053 4874 1 8 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.161 0.601 18053 4875 1 8 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.988 -1.947 18053 4876 1 8 . 1 1 51 51 TRP H H 481 8.914 8.914 8.167 0.747 18053 4877 1 8 . 1 1 52 52 ARG N N 482 116.480 116.480 117.031 -0.551 18053 4878 1 8 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.203 0.765 18053 4879 1 8 . 1 1 52 52 ARG C C 482 175.807 175.807 174.801 1.006 18053 4880 1 8 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.083 -0.962 18053 4881 1 8 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.787 1.337 18053 4882 1 8 . 1 1 52 52 ARG H H 482 9.147 9.147 8.858 0.289 18053 4883 1 8 . 1 1 53 53 ILE N N 483 119.579 119.579 123.907 -4.328 18053 4884 1 8 . 1 1 53 53 ILE HA H 483 4.985 4.985 5.002 -0.017 18053 4885 1 8 . 1 1 53 53 ILE C C 483 175.670 175.670 175.664 0.006 18053 4886 1 8 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.571 -0.171 18053 4887 1 8 . 1 1 53 53 ILE CB C 483 40.227 40.227 40.014 0.213 18053 4888 1 8 . 1 1 53 53 ILE H H 483 9.000 9.000 8.786 0.214 18053 4889 1 8 . 1 1 54 54 LYS N N 484 124.737 124.737 126.563 -1.826 18053 4890 1 8 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.213 0.250 18053 4891 1 8 . 1 1 54 54 LYS C C 484 175.575 175.575 175.870 -0.295 18053 4892 1 8 . 1 1 54 54 LYS CA C 484 54.613 54.613 55.056 -0.443 18053 4893 1 8 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.994 1.047 18053 4894 1 8 . 1 1 54 54 LYS H H 484 9.678 9.678 8.573 1.105 18053 4895 1 8 . 1 1 55 55 ARG N N 485 124.090 124.090 126.361 -2.271 18053 4896 1 8 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.851 0.674 18053 4897 1 8 . 1 1 55 55 ARG C C 485 174.155 174.155 175.401 -1.246 18053 4898 1 8 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.327 -0.424 18053 4899 1 8 . 1 1 55 55 ARG H H 485 9.314 9.314 8.768 0.546 18053 4900 1 8 . 1 1 56 56 GLN N N 486 126.576 126.576 124.799 1.777 18053 4901 1 8 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.588 0.254 18053 4902 1 8 . 1 1 56 56 GLN C C 486 174.991 174.991 174.753 0.238 18053 4903 1 8 . 1 1 56 56 GLN CA C 486 54.831 54.831 55.429 -0.598 18053 4904 1 8 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.379 2.086 18053 4905 1 8 . 1 1 56 56 GLN H H 486 8.831 8.831 8.690 0.141 18053 4906 1 8 . 1 1 57 57 VAL N N 487 126.712 126.712 124.063 2.649 18053 4907 1 8 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.288 -0.022 18053 4908 1 8 . 1 1 57 57 VAL C C 487 175.916 175.916 177.437 -1.521 18053 4909 1 8 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.495 0.325 18053 4910 1 8 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.585 0.218 18053 4911 1 8 . 1 1 57 57 VAL H H 487 8.786 8.786 8.506 0.280 18053 4912 1 8 . 1 1 58 58 LEU N N 488 127.274 127.274 126.366 0.908 18053 4913 1 8 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.174 -0.089 18053 4914 1 8 . 1 1 58 58 LEU C C 488 177.158 177.158 177.848 -0.690 18053 4915 1 8 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.757 -0.851 18053 4916 1 8 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.630 -0.256 18053 4917 1 8 . 1 1 58 58 LEU H H 488 8.316 8.316 8.269 0.047 18053 4918 1 8 . 1 1 59 59 GLU N N 489 119.647 119.647 118.799 0.848 18053 4919 1 8 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.206 -0.094 18053 4920 1 8 . 1 1 59 59 GLU C C 489 176.230 176.230 177.194 -0.964 18053 4921 1 8 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.471 0.544 18053 4922 1 8 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.694 -1.545 18053 4923 1 8 . 1 1 59 59 GLU H H 489 8.636 8.636 8.156 0.480 18053 4924 1 8 . 1 1 60 60 GLY N N 490 108.819 108.819 107.353 1.466 18053 4925 1 8 . 1 1 60 60 GLY C C 490 173.568 173.568 173.935 -0.367 18053 4926 1 8 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.621 0.152 18053 4927 1 8 . 1 1 60 60 GLY H H 490 8.160 8.160 7.788 0.372 18053 4928 1 8 . 1 1 61 61 GLU N N 491 121.009 121.009 121.468 -0.459 18053 4929 1 8 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.576 -0.253 18053 4930 1 8 . 1 1 61 61 GLU C C 491 175.725 175.725 175.236 0.489 18053 4931 1 8 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.142 1.054 18053 4932 1 8 . 1 1 61 61 GLU CB C 491 30.865 30.865 30.743 0.122 18053 4933 1 8 . 1 1 61 61 GLU H H 491 8.320 8.320 7.950 0.370 18053 4934 1 8 . 1 1 62 62 GLU N N 492 123.426 123.426 124.251 -0.825 18053 4935 1 8 . 1 1 62 62 GLU HA H 492 5.054 5.054 4.978 0.076 18053 4936 1 8 . 1 1 62 62 GLU C C 492 175.930 175.930 176.520 -0.590 18053 4937 1 8 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.347 0.303 18053 4938 1 8 . 1 1 62 62 GLU CB C 492 32.312 32.312 29.015 3.297 18053 4939 1 8 . 1 1 62 62 GLU H H 492 8.594 8.594 8.770 -0.176 18053 4940 1 8 . 1 1 63 63 ILE N N 493 119.732 119.732 118.874 0.858 18053 4941 1 8 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.580 0.208 18053 4942 1 8 . 1 1 63 63 ILE C C 493 174.647 174.647 174.715 -0.068 18053 4943 1 8 . 1 1 63 63 ILE CA C 493 60.181 60.181 60.724 -0.543 18053 4944 1 8 . 1 1 63 63 ILE CB C 493 41.183 41.183 39.758 1.425 18053 4945 1 8 . 1 1 63 63 ILE H H 493 8.523 8.523 7.901 0.622 18053 4946 1 8 . 1 1 64 64 ALA N N 494 122.166 122.166 124.696 -2.530 18053 4947 1 8 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.428 0.093 18053 4948 1 8 . 1 1 64 64 ALA C C 494 174.606 174.606 176.022 -1.416 18053 4949 1 8 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.766 0.762 18053 4950 1 8 . 1 1 64 64 ALA CB C 494 22.239 22.239 22.044 0.195 18053 4951 1 8 . 1 1 64 64 ALA H H 494 8.741 8.741 8.089 0.652 18053 4952 1 8 . 1 1 65 65 TYR N N 495 126.729 126.729 125.734 0.995 18053 4953 1 8 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.998 -0.904 18053 4954 1 8 . 1 1 65 65 TYR C C 495 173.036 173.036 173.266 -0.230 18053 4955 1 8 . 1 1 65 65 TYR CA C 495 56.905 56.905 55.853 1.052 18053 4956 1 8 . 1 1 65 65 TYR CB C 495 40.269 40.269 40.355 -0.085 18053 4957 1 8 . 1 1 65 65 TYR H H 495 8.462 8.462 8.744 -0.282 18053 4958 1 8 . 1 1 66 66 LYS N N 496 128.108 128.108 126.935 1.173 18053 4959 1 8 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.432 0.390 18053 4960 1 8 . 1 1 66 66 LYS C C 496 174.906 174.906 174.797 0.109 18053 4961 1 8 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.957 -1.218 18053 4962 1 8 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.196 1.586 18053 4963 1 8 . 1 1 66 66 LYS H H 496 7.010 7.010 7.668 -0.658 18053 4964 1 8 . 1 1 67 67 PHE N N 497 125.299 125.299 121.016 4.283 18053 4965 1 8 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.175 -0.243 18053 4966 1 8 . 1 1 67 67 PHE C C 497 177.990 177.990 175.575 2.415 18053 4967 1 8 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.721 1.286 18053 4968 1 8 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.473 0.508 18053 4969 1 8 . 1 1 67 67 PHE H H 497 8.509 8.509 8.249 0.260 18053 4970 1 8 . 1 1 68 68 THR N N 498 116.191 116.191 112.281 3.910 18053 4971 1 8 . 1 1 68 68 THR HA H 498 4.417 4.417 4.597 -0.180 18053 4972 1 8 . 1 1 68 68 THR CA C 498 60.855 60.855 59.830 1.025 18053 4973 1 8 . 1 1 68 68 THR CB C 498 68.019 68.019 69.238 -1.219 18053 4974 1 8 . 1 1 68 68 THR H H 498 8.688 8.688 8.408 0.280 18053 4975 1 8 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.702 -0.754 18053 4976 1 8 . 1 1 69 69 PRO C C 499 177.444 177.444 177.305 0.139 18053 4977 1 8 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.618 1.459 18053 4978 1 8 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.885 0.891 18053 4979 1 8 . 1 1 70 70 LYS N N 500 113.552 113.552 115.608 -2.056 18053 4980 1 8 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.164 0.221 18053 4981 1 8 . 1 1 70 70 LYS C C 500 176.325 176.325 176.006 0.319 18053 4982 1 8 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.654 -1.659 18053 4983 1 8 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.007 -0.214 18053 4984 1 8 . 1 1 70 70 LYS H H 500 8.016 8.016 8.268 -0.252 18053 4985 1 8 . 1 1 71 71 TYR N N 501 121.860 121.860 121.368 0.492 18053 4986 1 8 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.478 -0.748 18053 4987 1 8 . 1 1 71 71 TYR C C 501 174.838 174.838 173.742 1.096 18053 4988 1 8 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.845 3.465 18053 4989 1 8 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.681 -0.900 18053 4990 1 8 . 1 1 71 71 TYR H H 501 7.460 7.460 7.711 -0.251 18053 4991 1 8 . 1 1 72 72 ILE N N 502 129.487 129.487 125.979 3.508 18053 4992 1 8 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.426 -0.498 18053 4993 1 8 . 1 1 72 72 ILE C C 502 172.968 172.968 173.567 -0.599 18053 4994 1 8 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.201 0.107 18053 4995 1 8 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.981 -1.071 18053 4996 1 8 . 1 1 72 72 ILE H H 502 7.168 7.168 7.704 -0.536 18053 4997 1 8 . 1 1 73 73 LEU N N 503 128.278 128.278 125.874 2.404 18053 4998 1 8 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.568 -0.075 18053 4999 1 8 . 1 1 73 73 LEU C C 503 175.834 175.834 175.054 0.780 18053 5000 1 8 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.287 -0.322 18053 5001 1 8 . 1 1 73 73 LEU CB C 503 42.548 42.548 45.847 -3.299 18053 5002 1 8 . 1 1 73 73 LEU H H 503 8.483 8.483 8.473 0.010 18053 5003 1 8 . 1 1 74 74 ARG N N 504 129.589 129.589 123.949 5.640 18053 5004 1 8 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.424 -0.681 18053 5005 1 8 . 1 1 74 74 ARG C C 504 175.233 175.233 176.270 -1.037 18053 5006 1 8 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.670 1.181 18053 5007 1 8 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.856 -0.564 18053 5008 1 8 . 1 1 74 74 ARG H H 504 8.673 8.673 8.327 0.346 18053 5009 1 8 . 1 1 75 75 ALA N N 505 123.205 123.205 124.049 -0.844 18053 5010 1 8 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.218 -0.696 18053 5011 1 8 . 1 1 75 75 ALA C C 505 178.441 178.441 178.225 0.216 18053 5012 1 8 . 1 1 75 75 ALA CA C 505 53.794 53.794 52.931 0.863 18053 5013 1 8 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.425 0.485 18053 5014 1 8 . 1 1 75 75 ALA H H 505 8.564 8.564 8.364 0.200 18053 5015 1 8 . 1 1 76 76 GLY N N 506 112.241 112.241 111.603 0.638 18053 5016 1 8 . 1 1 76 76 GLY C C 506 174.278 174.278 174.667 -0.389 18053 5017 1 8 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.373 1.352 18053 5018 1 8 . 1 1 76 76 GLY H H 506 7.381 7.381 8.617 -1.236 18053 5019 1 8 . 1 1 77 77 GLN N N 507 117.382 117.382 119.068 -1.686 18053 5020 1 8 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.628 -0.264 18053 5021 1 8 . 1 1 77 77 GLN C C 507 173.937 173.937 174.858 -0.921 18053 5022 1 8 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.012 0.546 18053 5023 1 8 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.888 0.185 18053 5024 1 8 . 1 1 77 77 GLN H H 507 7.996 7.996 7.582 0.414 18053 5025 1 8 . 1 1 78 78 MET N N 508 116.957 116.957 115.622 1.335 18053 5026 1 8 . 1 1 78 78 MET HA H 508 5.388 5.388 4.785 0.603 18053 5027 1 8 . 1 1 78 78 MET C C 508 175.807 175.807 174.040 1.767 18053 5028 1 8 . 1 1 78 78 MET CA C 508 54.067 54.067 54.392 -0.324 18053 5029 1 8 . 1 1 78 78 MET CB C 508 37.198 37.198 36.062 1.136 18053 5030 1 8 . 1 1 78 78 MET H H 508 8.092 8.092 8.536 -0.444 18053 5031 1 8 . 1 1 79 79 VAL N N 509 119.340 119.340 120.918 -1.578 18053 5032 1 8 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.972 -0.016 18053 5033 1 8 . 1 1 79 79 VAL C C 509 172.217 172.217 174.563 -2.346 18053 5034 1 8 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.460 -0.989 18053 5035 1 8 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.343 -0.666 18053 5036 1 8 . 1 1 79 79 VAL H H 509 8.534 8.534 8.539 -0.005 18053 5037 1 8 . 1 1 80 80 THR N N 510 124.533 124.533 126.061 -1.528 18053 5038 1 8 . 1 1 80 80 THR HA H 510 4.586 4.586 4.787 -0.201 18053 5039 1 8 . 1 1 80 80 THR C C 510 172.215 172.215 174.254 -2.039 18053 5040 1 8 . 1 1 80 80 THR CA C 510 62.119 62.119 62.519 -0.400 18053 5041 1 8 . 1 1 80 80 THR CB C 510 69.407 69.407 68.813 0.594 18053 5042 1 8 . 1 1 80 80 THR H H 510 8.301 8.301 8.529 -0.228 18053 5043 1 8 . 1 1 81 81 VAL N N 511 127.002 127.002 127.550 -0.548 18053 5044 1 8 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.652 -0.056 18053 5045 1 8 . 1 1 81 81 VAL C C 511 176.667 176.667 175.716 0.951 18053 5046 1 8 . 1 1 81 81 VAL CA C 511 61.382 61.382 61.719 -0.337 18053 5047 1 8 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.081 -0.136 18053 5048 1 8 . 1 1 81 81 VAL H H 511 8.796 8.796 8.789 0.007 18053 5049 1 8 . 1 1 82 82 TRP N N 512 131.479 131.479 129.506 1.973 18053 5050 1 8 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.366 -0.028 18053 5051 1 8 . 1 1 82 82 TRP C C 512 176.885 176.885 175.322 1.563 18053 5052 1 8 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.070 -0.628 18053 5053 1 8 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.369 -0.668 18053 5054 1 8 . 1 1 82 82 TRP H H 512 9.924 9.924 9.532 0.392 18053 5055 1 8 . 1 1 83 83 ALA N N 513 123.954 123.954 120.669 3.285 18053 5056 1 8 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.595 -0.287 18053 5057 1 8 . 1 1 83 83 ALA C C 513 178.140 178.140 178.420 -0.280 18053 5058 1 8 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.197 2.014 18053 5059 1 8 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.624 -1.879 18053 5060 1 8 . 1 1 83 83 ALA H H 513 9.048 9.048 8.768 0.280 18053 5061 1 8 . 1 1 84 84 ALA N N 514 125.146 125.146 124.546 0.600 18053 5062 1 8 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.045 -0.094 18053 5063 1 8 . 1 1 84 84 ALA C C 514 179.519 179.519 179.002 0.517 18053 5064 1 8 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.874 -0.070 18053 5065 1 8 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.915 -0.333 18053 5066 1 8 . 1 1 84 84 ALA H H 514 8.341 8.341 8.267 0.074 18053 5067 1 8 . 1 1 85 85 GLY N N 515 103.388 103.388 105.106 -1.718 18053 5068 1 8 . 1 1 85 85 GLY C C 515 174.674 174.674 174.686 -0.012 18053 5069 1 8 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.294 0.584 18053 5070 1 8 . 1 1 85 85 GLY H H 515 7.996 7.996 7.834 0.162 18053 5071 1 8 . 1 1 86 86 ALA N N 516 120.140 120.140 123.370 -3.230 18053 5072 1 8 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.471 -0.127 18053 5073 1 8 . 1 1 86 86 ALA C C 516 177.690 177.690 178.019 -0.329 18053 5074 1 8 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.426 0.713 18053 5075 1 8 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.714 0.833 18053 5076 1 8 . 1 1 86 86 ALA H H 516 7.474 7.474 7.544 -0.070 18053 5077 1 8 . 1 1 87 87 GLY N N 517 105.720 105.720 106.594 -0.874 18053 5078 1 8 . 1 1 87 87 GLY C C 517 173.650 173.650 174.532 -0.882 18053 5079 1 8 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.073 0.941 18053 5080 1 8 . 1 1 87 87 GLY H H 517 7.779 7.779 7.858 -0.079 18053 5081 1 8 . 1 1 88 88 VAL N N 518 121.537 121.537 120.596 0.941 18053 5082 1 8 . 1 1 88 88 VAL HA H 518 3.585 3.585 3.950 -0.365 18053 5083 1 8 . 1 1 88 88 VAL C C 518 174.851 174.851 175.510 -0.659 18053 5084 1 8 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.839 -0.565 18053 5085 1 8 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.292 1.084 18053 5086 1 8 . 1 1 88 88 VAL H H 518 7.499 7.499 7.803 -0.304 18053 5087 1 8 . 1 1 89 89 ALA N N 519 128.295 128.295 130.002 -1.707 18053 5088 1 8 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.358 -0.166 18053 5089 1 8 . 1 1 89 89 ALA C C 519 176.680 176.680 176.667 0.013 18053 5090 1 8 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.433 -0.150 18053 5091 1 8 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.180 0.112 18053 5092 1 8 . 1 1 89 89 ALA H H 519 7.960 7.960 8.078 -0.118 18053 5093 1 8 . 1 1 90 90 HIS N N 520 122.643 122.643 124.602 -1.959 18053 5094 1 8 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.380 -0.347 18053 5095 1 8 . 1 1 90 90 HIS C C 520 175.793 175.793 174.399 1.394 18053 5096 1 8 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.161 2.492 18053 5097 1 8 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.823 2.462 18053 5098 1 8 . 1 1 90 90 HIS H H 520 8.394 8.394 8.913 -0.519 18053 5099 1 8 . 1 1 91 91 SER N N 521 121.247 121.247 123.619 -2.372 18053 5100 1 8 . 1 1 91 91 SER HA H 521 4.629 4.629 4.722 -0.093 18053 5101 1 8 . 1 1 91 91 SER CA C 521 55.843 55.843 55.833 0.010 18053 5102 1 8 . 1 1 91 91 SER CB C 521 62.367 62.367 63.489 -1.123 18053 5103 1 8 . 1 1 91 91 SER H H 521 8.569 8.569 8.286 0.283 18053 5104 1 8 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.678 -0.676 18053 5105 1 8 . 1 1 92 92 PRO CA C 522 62.244 62.244 61.935 0.309 18053 5106 1 8 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.696 -0.765 18053 5107 1 8 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.621 0.051 18053 5108 1 8 . 1 1 93 93 PRO C C 523 177.786 177.786 178.808 -1.022 18053 5109 1 8 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.169 -0.166 18053 5110 1 8 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.184 2.721 18053 5111 1 8 . 1 1 94 94 SER N N 524 117.212 117.212 116.396 0.816 18053 5112 1 8 . 1 1 94 94 SER HA H 524 4.678 4.678 4.528 0.150 18053 5113 1 8 . 1 1 94 94 SER C C 524 174.851 174.851 175.454 -0.603 18053 5114 1 8 . 1 1 94 94 SER CA C 524 61.874 61.874 61.622 0.252 18053 5115 1 8 . 1 1 94 94 SER CB C 524 64.057 64.057 63.125 0.932 18053 5116 1 8 . 1 1 94 94 SER H H 524 8.463 8.463 8.527 -0.064 18053 5117 1 8 . 1 1 95 95 THR N N 525 121.588 121.588 119.771 1.817 18053 5118 1 8 . 1 1 95 95 THR HA H 525 4.859 4.859 4.821 0.038 18053 5119 1 8 . 1 1 95 95 THR C C 525 172.094 172.094 173.497 -1.403 18053 5120 1 8 . 1 1 95 95 THR CA C 525 62.309 62.309 62.998 -0.689 18053 5121 1 8 . 1 1 95 95 THR CB C 525 70.281 70.281 68.022 2.259 18053 5122 1 8 . 1 1 95 95 THR H H 525 7.631 7.631 7.754 -0.123 18053 5123 1 8 . 1 1 96 96 LEU N N 526 127.274 127.274 127.459 -0.185 18053 5124 1 8 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.014 0.117 18053 5125 1 8 . 1 1 96 96 LEU C C 526 175.916 175.916 176.004 -0.088 18053 5126 1 8 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.353 -2.278 18053 5127 1 8 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.882 -0.092 18053 5128 1 8 . 1 1 96 96 LEU H H 526 8.977 8.977 8.063 0.914 18053 5129 1 8 . 1 1 97 97 VAL N N 527 124.056 124.056 119.177 4.879 18053 5130 1 8 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.615 0.254 18053 5131 1 8 . 1 1 97 97 VAL C C 527 176.230 176.230 175.120 1.110 18053 5132 1 8 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.943 0.576 18053 5133 1 8 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.382 -0.678 18053 5134 1 8 . 1 1 97 97 VAL H H 527 10.724 10.724 7.888 2.836 18053 5135 1 8 . 1 1 98 98 TRP N N 528 132.586 132.586 131.143 1.443 18053 5136 1 8 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.137 0.828 18053 5137 1 8 . 1 1 98 98 TRP C C 528 173.391 173.391 174.113 -0.722 18053 5138 1 8 . 1 1 98 98 TRP CA C 528 53.303 53.303 54.704 -1.401 18053 5139 1 8 . 1 1 98 98 TRP CB C 528 28.245 28.245 27.894 0.351 18053 5140 1 8 . 1 1 98 98 TRP H H 528 9.400 9.400 8.621 0.779 18053 5141 1 8 . 1 1 99 99 LYS N N 529 126.644 126.644 128.275 -1.631 18053 5142 1 8 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.077 -0.238 18053 5143 1 8 . 1 1 99 99 LYS C C 529 177.581 177.581 177.256 0.325 18053 5144 1 8 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.254 1.290 18053 5145 1 8 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.851 -0.675 18053 5146 1 8 . 1 1 99 99 LYS H H 529 8.153 8.153 7.822 0.331 18053 5147 1 8 . 1 1 100 100 GLY N N 530 110.385 110.385 112.426 -2.041 18053 5148 1 8 . 1 1 100 100 GLY C C 530 172.367 172.367 173.537 -1.170 18053 5149 1 8 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.810 0.467 18053 5150 1 8 . 1 1 100 100 GLY H H 530 8.363 8.363 8.504 -0.141 18053 5151 1 8 . 1 1 101 101 GLN N N 531 121.162 121.162 120.056 1.106 18053 5152 1 8 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.220 -0.248 18053 5153 1 8 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.273 -0.653 18053 5154 1 8 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.780 -1.185 18053 5155 1 8 . 1 1 101 101 GLN H H 531 6.815 6.815 7.093 -0.278 18053 5156 1 8 . 1 1 102 102 SER N N 532 122.728 122.728 121.741 0.987 18053 5157 1 8 . 1 1 102 102 SER HA H 532 3.866 3.866 4.327 -0.461 18053 5158 1 8 . 1 1 102 102 SER C C 532 174.537 174.537 175.370 -0.833 18053 5159 1 8 . 1 1 102 102 SER CA C 532 61.983 61.983 61.563 0.420 18053 5160 1 8 . 1 1 102 102 SER CB C 532 62.802 62.802 63.328 -0.526 18053 5161 1 8 . 1 1 102 102 SER H H 532 8.662 8.662 8.693 -0.031 18053 5162 1 8 . 1 1 103 103 SER N N 533 110.811 110.811 116.207 -5.396 18053 5163 1 8 . 1 1 103 103 SER HA H 533 4.240 4.240 4.403 -0.163 18053 5164 1 8 . 1 1 103 103 SER C C 533 174.087 174.087 174.583 -0.496 18053 5165 1 8 . 1 1 103 103 SER CA C 533 56.633 56.633 59.025 -2.392 18053 5166 1 8 . 1 1 103 103 SER CB C 533 64.658 64.658 63.529 1.129 18053 5167 1 8 . 1 1 103 103 SER H H 533 7.134 7.134 8.108 -0.974 18053 5168 1 8 . 1 1 104 104 TRP N N 534 126.133 126.133 117.451 8.682 18053 5169 1 8 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.281 -0.183 18053 5170 1 8 . 1 1 104 104 TRP C C 534 176.066 176.066 174.798 1.268 18053 5171 1 8 . 1 1 104 104 TRP CA C 534 60.127 60.127 56.951 3.176 18053 5172 1 8 . 1 1 104 104 TRP CB C 534 28.764 28.764 29.109 -0.345 18053 5173 1 8 . 1 1 104 104 TRP H H 534 9.764 9.764 8.015 1.749 18053 5174 1 8 . 1 1 105 105 GLY N N 535 105.907 105.907 104.357 1.550 18053 5175 1 8 . 1 1 105 105 GLY C C 535 172.217 172.217 172.981 -0.764 18053 5176 1 8 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.965 -0.725 18053 5177 1 8 . 1 1 105 105 GLY H H 535 8.095 8.095 7.979 0.116 18053 5178 1 8 . 1 1 106 106 THR N N 536 111.253 111.253 114.995 -3.742 18053 5179 1 8 . 1 1 106 106 THR HA H 536 3.859 3.859 3.361 0.498 18053 5180 1 8 . 1 1 106 106 THR C C 536 172.872 172.872 172.685 0.187 18053 5181 1 8 . 1 1 106 106 THR CA C 536 59.635 59.635 60.421 -0.786 18053 5182 1 8 . 1 1 106 106 THR CB C 536 70.526 70.526 69.955 0.571 18053 5183 1 8 . 1 1 106 106 THR H H 536 7.913 7.913 8.027 -0.114 18053 5184 1 8 . 1 1 107 107 GLY N N 537 107.712 107.712 110.711 -2.999 18053 5185 1 8 . 1 1 107 107 GLY C C 537 172.709 172.709 173.554 -0.845 18053 5186 1 8 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.246 -0.080 18053 5187 1 8 . 1 1 107 107 GLY H H 537 7.533 7.533 8.196 -0.663 18053 5188 1 8 . 1 1 108 108 GLU N N 538 118.864 118.864 120.500 -1.636 18053 5189 1 8 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.130 0.006 18053 5190 1 8 . 1 1 108 108 GLU C C 538 176.353 176.353 175.433 0.920 18053 5191 1 8 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.783 -0.431 18053 5192 1 8 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.404 -0.248 18053 5193 1 8 . 1 1 108 108 GLU H H 538 8.558 8.558 8.775 -0.217 18053 5194 1 8 . 1 1 109 109 SER N N 539 110.419 110.419 111.517 -1.098 18053 5195 1 8 . 1 1 109 109 SER HA H 539 4.963 4.963 4.898 0.065 18053 5196 1 8 . 1 1 109 109 SER C C 539 173.787 173.787 172.798 0.989 18053 5197 1 8 . 1 1 109 109 SER CA C 539 57.125 57.125 57.413 -0.288 18053 5198 1 8 . 1 1 109 109 SER CB C 539 64.439 64.439 64.962 -0.523 18053 5199 1 8 . 1 1 109 109 SER H H 539 7.620 7.620 7.780 -0.160 18053 5200 1 8 . 1 1 110 110 PHE N N 540 118.778 118.778 118.681 0.097 18053 5201 1 8 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.432 -0.351 18053 5202 1 8 . 1 1 110 110 PHE C C 540 176.052 176.052 173.211 2.841 18053 5203 1 8 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.502 0.287 18053 5204 1 8 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.671 -1.911 18053 5205 1 8 . 1 1 110 110 PHE H H 540 8.318 8.318 8.568 -0.250 18053 5206 1 8 . 1 1 112 112 THR HA H 542 5.468 5.468 5.102 0.366 18053 5207 1 8 . 1 1 112 112 THR C C 542 172.381 172.381 173.801 -1.420 18053 5208 1 8 . 1 1 112 112 THR CA C 542 61.818 61.818 62.143 -0.325 18053 5209 1 8 . 1 1 112 112 THR CB C 542 70.990 70.990 69.969 1.021 18053 5210 1 8 . 1 1 113 113 VAL N N 543 124.771 124.771 124.826 -0.055 18053 5211 1 8 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.616 0.248 18053 5212 1 8 . 1 1 113 113 VAL C C 543 173.132 173.132 174.105 -0.973 18053 5213 1 8 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.519 -0.420 18053 5214 1 8 . 1 1 113 113 VAL CB C 543 36.433 36.433 35.495 0.938 18053 5215 1 8 . 1 1 113 113 VAL H H 543 9.380 9.380 8.657 0.723 18053 5216 1 8 . 1 1 114 114 LEU N N 544 128.789 128.789 127.849 0.940 18053 5217 1 8 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.970 0.350 18053 5218 1 8 . 1 1 114 114 LEU C C 544 174.237 174.237 174.747 -0.510 18053 5219 1 8 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.817 -0.624 18053 5220 1 8 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.929 0.950 18053 5221 1 8 . 1 1 114 114 LEU H H 544 8.948 8.948 8.759 0.189 18053 5222 1 8 . 1 1 115 115 VAL N N 545 127.002 127.002 127.047 -0.045 18053 5223 1 8 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.696 0.158 18053 5224 1 8 . 1 1 115 115 VAL C C 545 175.206 175.206 175.299 -0.093 18053 5225 1 8 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.483 -1.149 18053 5226 1 8 . 1 1 115 115 VAL CB C 545 34.495 34.495 33.847 0.648 18053 5227 1 8 . 1 1 115 115 VAL H H 545 9.564 9.564 9.037 0.527 18053 5228 1 8 . 1 1 116 116 ASN N N 546 121.179 121.179 121.793 -0.614 18053 5229 1 8 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.771 -0.874 18053 5230 1 8 . 1 1 116 116 ASN C C 546 176.885 176.885 174.956 1.929 18053 5231 1 8 . 1 1 116 116 ASN CA C 546 50.409 50.409 50.964 -0.555 18053 5232 1 8 . 1 1 116 116 ASN CB C 546 36.639 36.639 40.007 -3.368 18053 5233 1 8 . 1 1 116 116 ASN H H 546 8.016 8.016 7.802 0.214 18053 5234 1 8 . 1 1 117 117 ALA N N 547 119.834 119.834 120.445 -0.611 18053 5235 1 8 . 1 1 117 117 ALA HA H 547 3.866 3.866 3.988 -0.122 18053 5236 1 8 . 1 1 117 117 ALA C C 547 177.772 177.772 178.591 -0.819 18053 5237 1 8 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.502 0.002 18053 5238 1 8 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.596 -0.396 18053 5239 1 8 . 1 1 117 117 ALA H H 547 6.444 6.444 8.166 -1.722 18053 5240 1 8 . 1 1 118 118 ASP N N 548 115.646 115.646 118.382 -2.736 18053 5241 1 8 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.336 0.308 18053 5242 1 8 . 1 1 118 118 ASP C C 548 176.052 176.052 177.285 -1.233 18053 5243 1 8 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.932 -1.865 18053 5244 1 8 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.377 0.297 18053 5245 1 8 . 1 1 118 118 ASP H H 548 7.181 7.181 8.120 -0.939 18053 5246 1 8 . 1 1 119 119 GLY N N 549 107.167 107.167 104.976 2.191 18053 5247 1 8 . 1 1 119 119 GLY C C 549 173.841 173.841 174.131 -0.290 18053 5248 1 8 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.666 0.790 18053 5249 1 8 . 1 1 119 119 GLY H H 549 7.738 7.738 8.165 -0.427 18053 5250 1 8 . 1 1 120 120 GLU N N 550 121.196 121.196 120.916 0.280 18053 5251 1 8 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.226 -0.115 18053 5252 1 8 . 1 1 120 120 GLU C C 550 175.588 175.588 175.709 -0.121 18053 5253 1 8 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.727 -0.896 18053 5254 1 8 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.230 -0.293 18053 5255 1 8 . 1 1 120 120 GLU H H 550 7.587 7.587 7.700 -0.113 18053 5256 1 8 . 1 1 121 121 GLU N N 551 123.886 123.886 123.909 -0.023 18053 5257 1 8 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.279 -0.003 18053 5258 1 8 . 1 1 121 121 GLU C C 551 176.817 176.817 176.494 0.323 18053 5259 1 8 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.861 -0.065 18053 5260 1 8 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.005 -0.050 18053 5261 1 8 . 1 1 121 121 GLU H H 551 8.697 8.697 8.705 -0.008 18053 5262 1 8 . 1 1 122 122 VAL N N 552 120.055 120.055 120.245 -0.190 18053 5263 1 8 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.090 0.274 18053 5264 1 8 . 1 1 122 122 VAL C C 552 175.998 175.998 175.432 0.566 18053 5265 1 8 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.567 -0.912 18053 5266 1 8 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.628 0.421 18053 5267 1 8 . 1 1 122 122 VAL H H 552 8.845 8.845 8.146 0.699 18053 5268 1 8 . 1 1 123 123 ALA N N 553 122.098 122.098 121.274 0.824 18053 5269 1 8 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.747 0.143 18053 5270 1 8 . 1 1 123 123 ALA C C 553 175.261 175.261 175.263 -0.002 18053 5271 1 8 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.772 0.985 18053 5272 1 8 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.922 0.345 18053 5273 1 8 . 1 1 123 123 ALA H H 553 7.788 7.788 7.615 0.173 18053 5274 1 8 . 1 1 124 124 MET N N 554 118.217 118.217 120.507 -2.290 18053 5275 1 8 . 1 1 124 124 MET HA H 554 5.286 5.286 5.328 -0.042 18053 5276 1 8 . 1 1 124 124 MET C C 554 174.428 174.428 174.207 0.221 18053 5277 1 8 . 1 1 124 124 MET CA C 554 55.104 55.104 55.805 -0.701 18053 5278 1 8 . 1 1 124 124 MET CB C 554 35.342 35.342 36.347 -1.005 18053 5279 1 8 . 1 1 124 124 MET H H 554 8.693 8.693 8.592 0.101 18053 5280 1 8 . 1 1 125 125 ARG N N 555 122.132 122.132 126.304 -4.172 18053 5281 1 8 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.791 0.109 18053 5282 1 8 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.920 0.468 18053 5283 1 8 . 1 1 125 125 ARG CB C 555 34.378 34.378 34.203 0.175 18053 5284 1 8 . 1 1 125 125 ARG H H 555 8.919 8.919 9.164 -0.245 18053 5285 1 8 . 1 1 126 126 THR HA H 556 4.685 4.685 4.291 0.394 18053 5286 1 8 . 1 1 126 126 THR C C 556 172.436 172.436 173.298 -0.862 18053 5287 1 8 . 1 1 126 126 THR CA C 556 61.382 61.382 61.944 -0.562 18053 5288 1 8 . 1 1 126 126 THR CB C 556 70.444 70.444 69.690 0.754 18053 5289 1 8 . 1 1 127 127 VAL N N 557 124.976 124.976 125.125 -0.149 18053 5290 1 8 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.217 -0.071 18053 5291 1 8 . 1 1 127 127 VAL C C 557 173.937 173.937 173.169 0.768 18053 5292 1 8 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.065 1.044 18053 5293 1 8 . 1 1 127 127 VAL CB C 557 33.759 33.759 34.537 -0.778 18053 5294 1 8 . 1 1 127 127 VAL H H 557 8.127 8.127 8.734 -0.607 18053 5295 1 8 . 1 1 128 128 LYS N N 558 125.384 125.384 129.220 -3.836 18053 5296 1 8 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.413 0.293 18053 5297 1 8 . 1 1 128 128 LYS C C 558 175.534 175.534 175.842 -0.308 18053 5298 1 8 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.497 0.389 18053 5299 1 8 . 1 1 128 128 LYS CB C 558 34.673 34.673 32.871 1.802 18053 5300 1 8 . 1 1 128 128 LYS H H 558 8.289 8.289 8.374 -0.085 18053 5301 1 8 . 1 1 129 129 LYS N N 559 124.005 124.005 127.990 -3.985 18053 5302 1 8 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.293 0.017 18053 5303 1 8 . 1 1 129 129 LYS C C 559 176.571 176.571 177.088 -0.517 18053 5304 1 8 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.277 0.465 18053 5305 1 8 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.749 1.613 18053 5306 1 8 . 1 1 129 129 LYS H H 559 8.461 8.461 8.246 0.215 18053 5307 1 8 . 1 1 130 130 SER N N 560 117.195 117.195 121.883 -4.688 18053 5308 1 8 . 1 1 130 130 SER HA H 560 4.384 4.384 4.340 0.044 18053 5309 1 8 . 1 1 130 130 SER C C 560 174.565 174.565 173.957 0.608 18053 5310 1 8 . 1 1 130 130 SER CA C 560 58.434 58.434 59.937 -1.503 18053 5311 1 8 . 1 1 130 130 SER CB C 560 63.812 63.812 63.537 0.275 18053 5312 1 8 . 1 1 130 130 SER H H 560 8.465 8.465 8.338 0.127 18053 5313 1 8 . 1 1 131 131 SER N N 561 118.149 118.149 113.666 4.483 18053 5314 1 8 . 1 1 131 131 SER HA H 561 4.412 4.412 4.212 0.200 18053 5315 1 8 . 1 1 131 131 SER C C 561 174.456 174.456 174.194 0.262 18053 5316 1 8 . 1 1 131 131 SER CA C 561 58.489 58.489 58.986 -0.497 18053 5317 1 8 . 1 1 131 131 SER CB C 561 63.811 63.811 63.327 0.484 18053 5318 1 8 . 1 1 131 131 SER H H 561 8.336 8.336 7.886 0.450 18053 5319 1 8 . 1 1 132 132 VAL N N 562 121.332 121.332 120.505 0.827 18053 5320 1 8 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.041 -0.006 18053 5321 1 8 . 1 1 132 132 VAL C C 562 176.066 176.066 176.101 -0.035 18053 5322 1 8 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.100 -0.654 18053 5323 1 8 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.767 0.627 18053 5324 1 8 . 1 1 132 132 VAL H H 562 7.982 7.982 8.182 -0.200 18053 5325 1 8 . 1 1 133 133 MET N N 563 124.022 124.022 118.418 5.604 18053 5326 1 8 . 1 1 133 133 MET HA H 563 4.385 4.385 4.704 -0.319 18053 5327 1 8 . 1 1 133 133 MET C C 563 176.039 176.039 174.913 1.126 18053 5328 1 8 . 1 1 133 133 MET CA C 563 55.350 55.350 54.655 0.695 18053 5329 1 8 . 1 1 133 133 MET CB C 563 32.503 32.503 33.823 -1.320 18053 5330 1 8 . 1 1 133 133 MET H H 563 8.295 8.295 7.459 0.836 18053 5331 1 8 . 1 1 134 134 ARG N N 564 122.677 122.677 120.910 1.767 18053 5332 1 8 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.408 -0.146 18053 5333 1 8 . 1 1 134 134 ARG C C 564 176.298 176.298 175.884 0.414 18053 5334 1 8 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.030 0.057 18053 5335 1 8 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.414 -0.712 18053 5336 1 8 . 1 1 134 134 ARG H H 564 8.295 8.295 8.398 -0.103 18053 5337 1 8 . 1 1 135 135 GLU N N 565 121.945 121.945 122.690 -0.745 18053 5338 1 8 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.374 -0.214 18053 5339 1 8 . 1 1 135 135 GLU C C 565 176.080 176.080 176.478 -0.398 18053 5340 1 8 . 1 1 135 135 GLU CA C 565 56.906 56.906 55.716 1.190 18053 5341 1 8 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.964 -0.190 18053 5342 1 8 . 1 1 135 135 GLU H H 565 8.470 8.470 8.588 -0.118 18053 5343 1 8 . 1 1 136 136 ASN N N 566 118.761 118.761 124.083 -5.322 18053 5344 1 8 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.750 -0.133 18053 5345 1 8 . 1 1 136 136 ASN C C 566 175.315 175.315 175.144 0.171 18053 5346 1 8 . 1 1 136 136 ASN CA C 566 53.193 53.193 52.903 0.290 18053 5347 1 8 . 1 1 136 136 ASN CB C 566 38.836 38.836 37.377 1.458 18053 5348 1 8 . 1 1 136 136 ASN H H 566 8.341 8.341 8.783 -0.442 18053 5349 1 8 . 1 1 137 137 GLU N N 567 121.349 121.349 122.859 -1.510 18053 5350 1 8 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.106 0.046 18053 5351 1 8 . 1 1 137 137 GLU C C 567 176.243 176.243 176.860 -0.617 18053 5352 1 8 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.875 -1.969 18053 5353 1 8 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.047 -0.055 18053 5354 1 8 . 1 1 137 137 GLU H H 567 8.349 8.349 7.865 0.484 18053 5355 1 8 . 1 1 138 138 ASN N N 568 118.761 118.761 119.720 -0.959 18053 5356 1 8 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.831 -0.119 18053 5357 1 8 . 1 1 138 138 ASN C C 568 174.551 174.551 174.617 -0.066 18053 5358 1 8 . 1 1 138 138 ASN CA C 568 53.193 53.193 52.703 0.490 18053 5359 1 8 . 1 1 138 138 ASN CB C 568 39.327 39.327 37.375 1.952 18053 5360 1 8 . 1 1 138 138 ASN H H 568 8.397 8.397 8.436 -0.039 18053 5361 1 9 . 1 1 20 20 ALA N N 450 125.180 125.180 130.132 -4.952 18053 5362 1 9 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.614 0.092 18053 5363 1 9 . 1 1 20 20 ALA C C 450 177.226 177.226 176.584 0.642 18053 5364 1 9 . 1 1 20 20 ALA CA C 450 52.757 52.757 50.984 1.773 18053 5365 1 9 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.862 1.549 18053 5366 1 9 . 1 1 20 20 ALA H H 450 8.484 8.484 8.566 -0.082 18053 5367 1 9 . 1 1 21 21 SER N N 451 115.714 115.714 118.596 -2.882 18053 5368 1 9 . 1 1 21 21 SER HA H 451 4.513 4.513 4.388 0.125 18053 5369 1 9 . 1 1 21 21 SER C C 451 174.742 174.742 175.287 -0.545 18053 5370 1 9 . 1 1 21 21 SER CA C 451 58.516 58.516 58.702 -0.186 18053 5371 1 9 . 1 1 21 21 SER CB C 451 64.159 64.159 62.926 1.233 18053 5372 1 9 . 1 1 21 21 SER H H 451 8.487 8.487 7.764 0.723 18053 5373 1 9 . 1 1 22 22 GLY N N 452 111.509 111.509 114.502 -2.993 18053 5374 1 9 . 1 1 22 22 GLY C C 452 174.401 174.401 175.269 -0.868 18053 5375 1 9 . 1 1 22 22 GLY CA C 452 45.059 45.059 46.029 -0.970 18053 5376 1 9 . 1 1 22 22 GLY H H 452 8.198 8.198 8.773 -0.575 18053 5377 1 9 . 1 1 23 23 SER N N 453 116.191 116.191 114.912 1.279 18053 5378 1 9 . 1 1 23 23 SER HA H 453 4.364 4.364 4.448 -0.084 18053 5379 1 9 . 1 1 23 23 SER C C 453 173.432 173.432 174.497 -1.065 18053 5380 1 9 . 1 1 23 23 SER CA C 453 59.744 59.744 61.236 -1.492 18053 5381 1 9 . 1 1 23 23 SER CB C 453 64.335 64.335 64.528 -0.193 18053 5382 1 9 . 1 1 23 23 SER H H 453 8.494 8.494 7.970 0.524 18053 5383 1 9 . 1 1 24 24 VAL N N 454 121.656 121.656 120.282 1.374 18053 5384 1 9 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.496 0.539 18053 5385 1 9 . 1 1 24 24 VAL C C 454 174.606 174.606 174.897 -0.291 18053 5386 1 9 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.461 -0.406 18053 5387 1 9 . 1 1 24 24 VAL CB C 454 32.503 32.503 34.789 -2.286 18053 5388 1 9 . 1 1 24 24 VAL H H 454 7.830 7.830 8.130 -0.300 18053 5389 1 9 . 1 1 25 25 SER N N 455 119.323 119.323 119.802 -0.479 18053 5390 1 9 . 1 1 25 25 SER HA H 455 4.672 4.672 4.876 -0.204 18053 5391 1 9 . 1 1 25 25 SER C C 455 174.426 174.426 173.238 1.188 18053 5392 1 9 . 1 1 25 25 SER CA C 455 55.268 55.268 56.774 -1.506 18053 5393 1 9 . 1 1 25 25 SER CB C 455 65.162 65.162 66.408 -1.246 18053 5394 1 9 . 1 1 25 25 SER H H 455 9.065 9.065 8.856 0.209 18053 5395 1 9 . 1 1 26 26 ILE N N 456 119.468 119.468 123.722 -4.254 18053 5396 1 9 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.022 0.158 18053 5397 1 9 . 1 1 26 26 ILE C C 456 175.506 175.506 176.563 -1.057 18053 5398 1 9 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.115 -0.787 18053 5399 1 9 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.383 0.579 18053 5400 1 9 . 1 1 26 26 ILE H H 456 8.295 8.295 8.733 -0.438 18053 5401 1 9 . 1 1 27 27 GLU N N 457 129.726 129.726 130.490 -0.764 18053 5402 1 9 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.251 -0.023 18053 5403 1 9 . 1 1 27 27 GLU C C 457 175.179 175.179 175.969 -0.790 18053 5404 1 9 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.891 -2.459 18053 5405 1 9 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.864 -0.722 18053 5406 1 9 . 1 1 27 27 GLU H H 457 8.393 8.393 8.699 -0.306 18053 5407 1 9 . 1 1 28 28 GLU N N 458 117.076 117.076 114.877 2.199 18053 5408 1 9 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.645 -0.477 18053 5409 1 9 . 1 1 28 28 GLU C C 458 174.701 174.701 174.810 -0.109 18053 5410 1 9 . 1 1 28 28 GLU CA C 458 56.906 56.906 54.857 2.049 18053 5411 1 9 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.120 -2.272 18053 5412 1 9 . 1 1 28 28 GLU H H 458 7.489 7.489 7.895 -0.406 18053 5413 1 9 . 1 1 29 29 ILE N N 459 122.183 122.183 119.091 3.092 18053 5414 1 9 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.029 -0.265 18053 5415 1 9 . 1 1 29 29 ILE C C 459 174.169 174.169 174.430 -0.261 18053 5416 1 9 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.370 0.156 18053 5417 1 9 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.805 -1.496 18053 5418 1 9 . 1 1 29 29 ILE H H 459 8.126 8.126 8.332 -0.206 18053 5419 1 9 . 1 1 30 30 ASP N N 460 123.205 123.205 122.370 0.835 18053 5420 1 9 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.183 -0.000 18053 5421 1 9 . 1 1 30 30 ASP C C 460 178.318 178.318 177.489 0.829 18053 5422 1 9 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.774 0.156 18053 5423 1 9 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.765 0.042 18053 5424 1 9 . 1 1 30 30 ASP H H 460 6.704 6.704 7.541 -0.837 18053 5425 1 9 . 1 1 31 31 LEU N N 461 128.551 128.551 120.379 8.172 18053 5426 1 9 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.183 -0.119 18053 5427 1 9 . 1 1 31 31 LEU C C 461 177.513 177.513 176.991 0.522 18053 5428 1 9 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.219 -0.095 18053 5429 1 9 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.867 -0.630 18053 5430 1 9 . 1 1 31 31 LEU H H 461 9.012 9.012 8.379 0.633 18053 5431 1 9 . 1 1 32 32 GLU N N 462 115.101 115.101 116.816 -1.715 18053 5432 1 9 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.396 -0.113 18053 5433 1 9 . 1 1 32 32 GLU C C 462 177.062 177.062 176.552 0.510 18053 5434 1 9 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.957 -1.198 18053 5435 1 9 . 1 1 32 32 GLU CB C 462 29.569 29.569 31.336 -1.767 18053 5436 1 9 . 1 1 32 32 GLU H H 462 7.588 7.588 8.109 -0.521 18053 5437 1 9 . 1 1 33 33 GLY N N 463 106.299 106.299 106.124 0.175 18053 5438 1 9 . 1 1 33 33 GLY C C 463 174.824 174.824 174.700 0.124 18053 5439 1 9 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.845 1.961 18053 5440 1 9 . 1 1 33 33 GLY H H 463 7.372 7.372 8.247 -0.875 18053 5441 1 9 . 1 1 34 34 LYS N N 464 118.744 118.744 118.737 0.007 18053 5442 1 9 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.403 0.159 18053 5443 1 9 . 1 1 34 34 LYS C C 464 177.076 177.076 175.185 1.891 18053 5444 1 9 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.434 2.529 18053 5445 1 9 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.064 0.047 18053 5446 1 9 . 1 1 34 34 LYS H H 464 9.547 9.547 7.892 1.655 18053 5447 1 9 . 1 1 35 35 PHE N N 465 109.125 109.125 112.780 -3.655 18053 5448 1 9 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.121 0.393 18053 5449 1 9 . 1 1 35 35 PHE C C 465 174.183 174.183 172.702 1.481 18053 5450 1 9 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.630 1.002 18053 5451 1 9 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.229 -0.630 18053 5452 1 9 . 1 1 35 35 PHE H H 465 6.740 6.740 7.069 -0.329 18053 5453 1 9 . 1 1 36 36 VAL N N 466 119.579 119.579 119.734 -0.155 18053 5454 1 9 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.081 -0.372 18053 5455 1 9 . 1 1 36 36 VAL C C 466 172.668 172.668 174.037 -1.369 18053 5456 1 9 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.143 1.549 18053 5457 1 9 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.448 1.767 18053 5458 1 9 . 1 1 36 36 VAL H H 466 7.628 7.628 8.561 -0.933 18053 5459 1 9 . 1 1 37 37 GLN N N 467 126.831 126.831 127.896 -1.065 18053 5460 1 9 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.766 0.683 18053 5461 1 9 . 1 1 37 37 GLN C C 467 174.797 174.797 174.846 -0.049 18053 5462 1 9 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.960 -0.839 18053 5463 1 9 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.330 5.293 18053 5464 1 9 . 1 1 37 37 GLN H H 467 8.392 8.392 8.407 -0.015 18053 5465 1 9 . 1 1 38 38 LEU N N 468 123.018 123.018 128.565 -5.547 18053 5466 1 9 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.055 0.367 18053 5467 1 9 . 1 1 38 38 LEU C C 468 175.588 175.588 176.285 -0.697 18053 5468 1 9 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.317 -1.615 18053 5469 1 9 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.416 0.630 18053 5470 1 9 . 1 1 38 38 LEU H H 468 9.103 9.103 8.965 0.138 18053 5471 1 9 . 1 1 39 39 LYS N N 469 118.983 118.983 120.435 -1.452 18053 5472 1 9 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.669 0.183 18053 5473 1 9 . 1 1 39 39 LYS C C 469 173.309 173.309 174.130 -0.821 18053 5474 1 9 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.870 0.124 18053 5475 1 9 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.095 2.151 18053 5476 1 9 . 1 1 39 39 LYS H H 469 8.496 8.496 8.913 -0.417 18053 5477 1 9 . 1 1 40 40 ASN N N 470 121.758 121.758 125.634 -3.876 18053 5478 1 9 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.903 -0.115 18053 5479 1 9 . 1 1 40 40 ASN C C 470 174.496 174.496 174.933 -0.437 18053 5480 1 9 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.316 -1.197 18053 5481 1 9 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.274 -1.715 18053 5482 1 9 . 1 1 40 40 ASN H H 470 8.283 8.283 8.596 -0.313 18053 5483 1 9 . 1 1 41 41 ASN N N 471 122.422 122.422 123.085 -0.663 18053 5484 1 9 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.748 -0.160 18053 5485 1 9 . 1 1 41 41 ASN C C 471 174.810 174.810 175.302 -0.492 18053 5486 1 9 . 1 1 41 41 ASN CA C 471 53.985 53.985 52.416 1.569 18053 5487 1 9 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.085 1.515 18053 5488 1 9 . 1 1 41 41 ASN H H 471 8.681 8.681 8.234 0.447 18053 5489 1 9 . 1 1 42 42 SER N N 472 116.446 116.446 117.150 -0.704 18053 5490 1 9 . 1 1 42 42 SER HA H 472 4.719 4.719 4.403 0.316 18053 5491 1 9 . 1 1 42 42 SER C C 472 172.804 172.804 174.849 -2.045 18053 5492 1 9 . 1 1 42 42 SER CA C 472 57.288 57.288 58.527 -1.239 18053 5493 1 9 . 1 1 42 42 SER CB C 472 66.241 66.241 64.553 1.688 18053 5494 1 9 . 1 1 42 42 SER H H 472 8.370 8.370 7.653 0.717 18053 5495 1 9 . 1 1 43 43 ASP N N 473 117.706 117.706 121.583 -3.877 18053 5496 1 9 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.577 -0.103 18053 5497 1 9 . 1 1 43 43 ASP C C 473 175.343 175.343 175.450 -0.107 18053 5498 1 9 . 1 1 43 43 ASP CA C 473 53.521 53.521 56.038 -2.517 18053 5499 1 9 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.207 -0.885 18053 5500 1 9 . 1 1 43 43 ASP H H 473 8.254 8.254 8.844 -0.590 18053 5501 1 9 . 1 1 44 44 LYS N N 474 120.209 120.209 117.685 2.524 18053 5502 1 9 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.523 0.046 18053 5503 1 9 . 1 1 44 44 LYS C C 474 175.397 175.397 174.796 0.601 18053 5504 1 9 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.645 -0.633 18053 5505 1 9 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.477 0.906 18053 5506 1 9 . 1 1 44 44 LYS H H 474 8.305 8.305 7.559 0.746 18053 5507 1 9 . 1 1 45 45 ASP N N 475 124.993 124.993 121.414 3.579 18053 5508 1 9 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.451 -0.476 18053 5509 1 9 . 1 1 45 45 ASP C C 475 174.810 174.810 175.911 -1.101 18053 5510 1 9 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.251 -0.256 18053 5511 1 9 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.779 -0.415 18053 5512 1 9 . 1 1 45 45 ASP H H 475 8.722 8.722 8.524 0.198 18053 5513 1 9 . 1 1 46 46 GLN N N 476 120.549 120.549 125.341 -4.792 18053 5514 1 9 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.453 -0.017 18053 5515 1 9 . 1 1 46 46 GLN C C 476 174.019 174.019 175.316 -1.297 18053 5516 1 9 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.267 -1.129 18053 5517 1 9 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.328 2.138 18053 5518 1 9 . 1 1 46 46 GLN H H 476 7.878 7.878 8.089 -0.211 18053 5519 1 9 . 1 1 47 47 SER N N 477 121.537 121.537 122.158 -0.621 18053 5520 1 9 . 1 1 47 47 SER HA H 477 4.229 4.229 4.293 -0.064 18053 5521 1 9 . 1 1 47 47 SER C C 477 174.565 174.565 173.873 0.692 18053 5522 1 9 . 1 1 47 47 SER CA C 477 58.706 58.706 58.178 0.528 18053 5523 1 9 . 1 1 47 47 SER CB C 477 62.965 62.965 62.972 -0.007 18053 5524 1 9 . 1 1 47 47 SER H H 477 8.748 8.748 8.687 0.061 18053 5525 1 9 . 1 1 48 48 LEU N N 478 127.751 127.751 125.120 2.631 18053 5526 1 9 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.306 -1.675 18053 5527 1 9 . 1 1 48 48 LEU C C 478 176.789 176.789 176.666 0.123 18053 5528 1 9 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.293 -2.191 18053 5529 1 9 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.236 -0.893 18053 5530 1 9 . 1 1 48 48 LEU H H 478 7.856 7.856 7.719 0.137 18053 5531 1 9 . 1 1 49 49 GLY N N 479 107.525 107.525 107.316 0.209 18053 5532 1 9 . 1 1 49 49 GLY C C 479 176.653 176.653 175.257 1.396 18053 5533 1 9 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.793 2.269 18053 5534 1 9 . 1 1 49 49 GLY H H 479 7.728 7.728 8.710 -0.982 18053 5535 1 9 . 1 1 50 50 ASN N N 480 117.059 117.059 119.645 -2.586 18053 5536 1 9 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.579 -0.324 18053 5537 1 9 . 1 1 50 50 ASN C C 480 174.961 174.961 174.708 0.253 18053 5538 1 9 . 1 1 50 50 ASN CA C 480 56.360 56.360 53.940 2.420 18053 5539 1 9 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.883 -1.467 18053 5540 1 9 . 1 1 50 50 ASN H H 480 7.552 7.552 8.726 -1.174 18053 5541 1 9 . 1 1 51 51 TRP N N 481 122.166 122.166 119.171 2.995 18053 5542 1 9 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.720 -0.243 18053 5543 1 9 . 1 1 51 51 TRP C C 481 175.575 175.575 175.762 -0.187 18053 5544 1 9 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.776 0.986 18053 5545 1 9 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.811 -1.770 18053 5546 1 9 . 1 1 51 51 TRP H H 481 8.914 8.914 8.039 0.875 18053 5547 1 9 . 1 1 52 52 ARG N N 482 116.480 116.480 118.687 -2.207 18053 5548 1 9 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.234 0.734 18053 5549 1 9 . 1 1 52 52 ARG C C 482 175.807 175.807 174.930 0.877 18053 5550 1 9 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.587 -0.467 18053 5551 1 9 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.148 0.976 18053 5552 1 9 . 1 1 52 52 ARG H H 482 9.147 9.147 8.769 0.378 18053 5553 1 9 . 1 1 53 53 ILE N N 483 119.579 119.579 125.219 -5.640 18053 5554 1 9 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.914 0.071 18053 5555 1 9 . 1 1 53 53 ILE C C 483 175.670 175.670 175.965 -0.295 18053 5556 1 9 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.659 -0.259 18053 5557 1 9 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.304 1.923 18053 5558 1 9 . 1 1 53 53 ILE H H 483 9.000 9.000 8.706 0.294 18053 5559 1 9 . 1 1 54 54 LYS N N 484 124.737 124.737 128.680 -3.943 18053 5560 1 9 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.929 0.534 18053 5561 1 9 . 1 1 54 54 LYS C C 484 175.575 175.575 176.346 -0.771 18053 5562 1 9 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.678 -2.065 18053 5563 1 9 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.779 1.262 18053 5564 1 9 . 1 1 54 54 LYS H H 484 9.678 9.678 8.677 1.001 18053 5565 1 9 . 1 1 55 55 ARG N N 485 124.090 124.090 122.814 1.276 18053 5566 1 9 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.635 0.890 18053 5567 1 9 . 1 1 55 55 ARG C C 485 174.155 174.155 174.255 -0.100 18053 5568 1 9 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.892 -0.989 18053 5569 1 9 . 1 1 55 55 ARG H H 485 9.314 9.314 8.765 0.549 18053 5570 1 9 . 1 1 56 56 GLN N N 486 126.576 126.576 125.434 1.142 18053 5571 1 9 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.715 0.127 18053 5572 1 9 . 1 1 56 56 GLN C C 486 174.991 174.991 174.908 0.083 18053 5573 1 9 . 1 1 56 56 GLN CA C 486 54.831 54.831 55.173 -0.342 18053 5574 1 9 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.416 2.049 18053 5575 1 9 . 1 1 56 56 GLN H H 486 8.831 8.831 8.455 0.376 18053 5576 1 9 . 1 1 57 57 VAL N N 487 126.712 126.712 123.491 3.221 18053 5577 1 9 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.147 0.119 18053 5578 1 9 . 1 1 57 57 VAL C C 487 175.916 175.916 178.094 -2.178 18053 5579 1 9 . 1 1 57 57 VAL CA C 487 61.820 61.820 63.933 -2.113 18053 5580 1 9 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.161 0.642 18053 5581 1 9 . 1 1 57 57 VAL H H 487 8.786 8.786 8.619 0.167 18053 5582 1 9 . 1 1 58 58 LEU N N 488 127.274 127.274 124.603 2.671 18053 5583 1 9 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.111 -0.026 18053 5584 1 9 . 1 1 58 58 LEU C C 488 177.158 177.158 177.658 -0.500 18053 5585 1 9 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.145 -1.239 18053 5586 1 9 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.409 -0.035 18053 5587 1 9 . 1 1 58 58 LEU H H 488 8.316 8.316 8.440 -0.124 18053 5588 1 9 . 1 1 59 59 GLU N N 489 119.647 119.647 116.424 3.223 18053 5589 1 9 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.234 -0.122 18053 5590 1 9 . 1 1 59 59 GLU C C 489 176.230 176.230 177.330 -1.100 18053 5591 1 9 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.410 0.605 18053 5592 1 9 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.701 -1.552 18053 5593 1 9 . 1 1 59 59 GLU H H 489 8.636 8.636 7.974 0.662 18053 5594 1 9 . 1 1 60 60 GLY N N 490 108.819 108.819 109.032 -0.213 18053 5595 1 9 . 1 1 60 60 GLY C C 490 173.568 173.568 173.515 0.053 18053 5596 1 9 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.724 0.049 18053 5597 1 9 . 1 1 60 60 GLY H H 490 8.160 8.160 7.870 0.290 18053 5598 1 9 . 1 1 61 61 GLU N N 491 121.009 121.009 122.859 -1.850 18053 5599 1 9 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.274 0.049 18053 5600 1 9 . 1 1 61 61 GLU C C 491 175.725 175.725 175.669 0.056 18053 5601 1 9 . 1 1 61 61 GLU CA C 491 56.196 56.196 57.030 -0.834 18053 5602 1 9 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.628 1.237 18053 5603 1 9 . 1 1 61 61 GLU H H 491 8.320 8.320 8.593 -0.273 18053 5604 1 9 . 1 1 62 62 GLU N N 492 123.426 123.426 123.283 0.143 18053 5605 1 9 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.600 -0.546 18053 5606 1 9 . 1 1 62 62 GLU C C 492 175.930 175.930 176.051 -0.121 18053 5607 1 9 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.031 1.619 18053 5608 1 9 . 1 1 62 62 GLU CB C 492 32.312 32.312 32.628 -0.316 18053 5609 1 9 . 1 1 62 62 GLU H H 492 8.594 8.594 8.435 0.159 18053 5610 1 9 . 1 1 63 63 ILE N N 493 119.732 119.732 115.615 4.117 18053 5611 1 9 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.806 -0.018 18053 5612 1 9 . 1 1 63 63 ILE C C 493 174.647 174.647 174.159 0.488 18053 5613 1 9 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.358 0.823 18053 5614 1 9 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.696 -0.513 18053 5615 1 9 . 1 1 63 63 ILE H H 493 8.523 8.523 8.235 0.288 18053 5616 1 9 . 1 1 64 64 ALA N N 494 122.166 122.166 124.585 -2.419 18053 5617 1 9 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.082 0.439 18053 5618 1 9 . 1 1 64 64 ALA C C 494 174.606 174.606 176.227 -1.621 18053 5619 1 9 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.012 0.516 18053 5620 1 9 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.696 1.543 18053 5621 1 9 . 1 1 64 64 ALA H H 494 8.741 8.741 8.466 0.275 18053 5622 1 9 . 1 1 65 65 TYR N N 495 126.729 126.729 126.932 -0.203 18053 5623 1 9 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.761 -0.667 18053 5624 1 9 . 1 1 65 65 TYR C C 495 173.036 173.036 173.792 -0.756 18053 5625 1 9 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.415 0.490 18053 5626 1 9 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.434 1.835 18053 5627 1 9 . 1 1 65 65 TYR H H 495 8.462 8.462 8.567 -0.105 18053 5628 1 9 . 1 1 66 66 LYS N N 496 128.108 128.108 126.051 2.057 18053 5629 1 9 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.698 0.124 18053 5630 1 9 . 1 1 66 66 LYS C C 496 174.906 174.906 174.921 -0.015 18053 5631 1 9 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.477 -0.738 18053 5632 1 9 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.594 1.188 18053 5633 1 9 . 1 1 66 66 LYS H H 496 7.010 7.010 7.548 -0.538 18053 5634 1 9 . 1 1 67 67 PHE N N 497 125.299 125.299 121.949 3.350 18053 5635 1 9 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.182 -0.250 18053 5636 1 9 . 1 1 67 67 PHE C C 497 177.990 177.990 175.279 2.711 18053 5637 1 9 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.525 1.482 18053 5638 1 9 . 1 1 67 67 PHE CB C 497 40.981 40.981 39.964 1.018 18053 5639 1 9 . 1 1 67 67 PHE H H 497 8.509 8.509 8.201 0.308 18053 5640 1 9 . 1 1 68 68 THR N N 498 116.191 116.191 114.946 1.245 18053 5641 1 9 . 1 1 68 68 THR HA H 498 4.417 4.417 4.681 -0.264 18053 5642 1 9 . 1 1 68 68 THR CA C 498 60.855 60.855 58.138 2.717 18053 5643 1 9 . 1 1 68 68 THR CB C 498 68.019 68.019 70.147 -2.128 18053 5644 1 9 . 1 1 68 68 THR H H 498 8.688 8.688 8.287 0.401 18053 5645 1 9 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.434 -0.486 18053 5646 1 9 . 1 1 69 69 PRO C C 499 177.444 177.444 177.508 -0.064 18053 5647 1 9 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.877 1.200 18053 5648 1 9 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.927 0.850 18053 5649 1 9 . 1 1 70 70 LYS N N 500 113.552 113.552 116.895 -3.343 18053 5650 1 9 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.152 0.233 18053 5651 1 9 . 1 1 70 70 LYS C C 500 176.325 176.325 177.216 -0.891 18053 5652 1 9 . 1 1 70 70 LYS CA C 500 54.995 54.995 57.257 -2.262 18053 5653 1 9 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.161 -0.368 18053 5654 1 9 . 1 1 70 70 LYS H H 500 8.016 8.016 7.806 0.210 18053 5655 1 9 . 1 1 71 71 TYR N N 501 121.860 121.860 121.106 0.754 18053 5656 1 9 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.397 -0.667 18053 5657 1 9 . 1 1 71 71 TYR C C 501 174.838 174.838 174.193 0.645 18053 5658 1 9 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.301 3.009 18053 5659 1 9 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.536 -0.755 18053 5660 1 9 . 1 1 71 71 TYR H H 501 7.460 7.460 7.687 -0.227 18053 5661 1 9 . 1 1 72 72 ILE N N 502 129.487 129.487 125.202 4.285 18053 5662 1 9 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.352 -0.424 18053 5663 1 9 . 1 1 72 72 ILE C C 502 172.968 172.968 173.662 -0.694 18053 5664 1 9 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.622 -0.314 18053 5665 1 9 . 1 1 72 72 ILE CB C 502 40.910 40.910 42.214 -1.304 18053 5666 1 9 . 1 1 72 72 ILE H H 502 7.168 7.168 7.833 -0.665 18053 5667 1 9 . 1 1 73 73 LEU N N 503 128.278 128.278 125.019 3.259 18053 5668 1 9 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.744 -0.251 18053 5669 1 9 . 1 1 73 73 LEU C C 503 175.834 175.834 174.873 0.961 18053 5670 1 9 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.452 -0.487 18053 5671 1 9 . 1 1 73 73 LEU CB C 503 42.548 42.548 45.884 -3.336 18053 5672 1 9 . 1 1 73 73 LEU H H 503 8.483 8.483 8.664 -0.181 18053 5673 1 9 . 1 1 74 74 ARG N N 504 129.589 129.589 122.436 7.153 18053 5674 1 9 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.561 -0.818 18053 5675 1 9 . 1 1 74 74 ARG C C 504 175.233 175.233 176.211 -0.978 18053 5676 1 9 . 1 1 74 74 ARG CA C 504 56.851 56.851 54.662 2.189 18053 5677 1 9 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.999 -0.707 18053 5678 1 9 . 1 1 74 74 ARG H H 504 8.673 8.673 8.430 0.243 18053 5679 1 9 . 1 1 75 75 ALA N N 505 123.205 123.205 123.110 0.095 18053 5680 1 9 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.160 -0.638 18053 5681 1 9 . 1 1 75 75 ALA C C 505 178.441 178.441 178.139 0.302 18053 5682 1 9 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.144 0.650 18053 5683 1 9 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.761 0.149 18053 5684 1 9 . 1 1 75 75 ALA H H 505 8.564 8.564 8.110 0.454 18053 5685 1 9 . 1 1 76 76 GLY N N 506 112.241 112.241 112.889 -0.648 18053 5686 1 9 . 1 1 76 76 GLY C C 506 174.278 174.278 174.736 -0.458 18053 5687 1 9 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.897 0.828 18053 5688 1 9 . 1 1 76 76 GLY H H 506 7.381 7.381 8.315 -0.934 18053 5689 1 9 . 1 1 77 77 GLN N N 507 117.382 117.382 118.219 -0.837 18053 5690 1 9 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.655 -0.291 18053 5691 1 9 . 1 1 77 77 GLN C C 507 173.937 173.937 174.509 -0.572 18053 5692 1 9 . 1 1 77 77 GLN CA C 507 54.558 54.558 53.813 0.745 18053 5693 1 9 . 1 1 77 77 GLN CB C 507 30.073 30.073 31.180 -1.107 18053 5694 1 9 . 1 1 77 77 GLN H H 507 7.996 7.996 7.652 0.344 18053 5695 1 9 . 1 1 78 78 MET N N 508 116.957 116.957 116.225 0.732 18053 5696 1 9 . 1 1 78 78 MET HA H 508 5.388 5.388 4.727 0.661 18053 5697 1 9 . 1 1 78 78 MET C C 508 175.807 175.807 173.818 1.989 18053 5698 1 9 . 1 1 78 78 MET CA C 508 54.067 54.067 54.628 -0.561 18053 5699 1 9 . 1 1 78 78 MET CB C 508 37.198 37.198 36.123 1.075 18053 5700 1 9 . 1 1 78 78 MET H H 508 8.092 8.092 8.229 -0.137 18053 5701 1 9 . 1 1 79 79 VAL N N 509 119.340 119.340 118.425 0.915 18053 5702 1 9 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.864 0.092 18053 5703 1 9 . 1 1 79 79 VAL C C 509 172.217 172.217 173.951 -1.734 18053 5704 1 9 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.213 -0.742 18053 5705 1 9 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.156 -1.480 18053 5706 1 9 . 1 1 79 79 VAL H H 509 8.534 8.534 8.370 0.164 18053 5707 1 9 . 1 1 80 80 THR N N 510 124.533 124.533 124.356 0.177 18053 5708 1 9 . 1 1 80 80 THR HA H 510 4.586 4.586 4.926 -0.340 18053 5709 1 9 . 1 1 80 80 THR C C 510 172.215 172.215 173.807 -1.592 18053 5710 1 9 . 1 1 80 80 THR CA C 510 62.119 62.119 61.510 0.609 18053 5711 1 9 . 1 1 80 80 THR CB C 510 69.407 69.407 69.938 -0.531 18053 5712 1 9 . 1 1 80 80 THR H H 510 8.301 8.301 8.822 -0.521 18053 5713 1 9 . 1 1 81 81 VAL N N 511 127.002 127.002 127.413 -0.411 18053 5714 1 9 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.494 0.102 18053 5715 1 9 . 1 1 81 81 VAL C C 511 176.667 176.667 175.951 0.716 18053 5716 1 9 . 1 1 81 81 VAL CA C 511 61.382 61.382 61.677 -0.295 18053 5717 1 9 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.548 0.397 18053 5718 1 9 . 1 1 81 81 VAL H H 511 8.796 8.796 8.808 -0.012 18053 5719 1 9 . 1 1 82 82 TRP N N 512 131.479 131.479 129.636 1.843 18053 5720 1 9 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.214 0.124 18053 5721 1 9 . 1 1 82 82 TRP C C 512 176.885 176.885 175.453 1.432 18053 5722 1 9 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.386 -0.944 18053 5723 1 9 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.079 -0.378 18053 5724 1 9 . 1 1 82 82 TRP H H 512 9.924 9.924 9.564 0.360 18053 5725 1 9 . 1 1 83 83 ALA N N 513 123.954 123.954 120.585 3.369 18053 5726 1 9 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.712 -0.404 18053 5727 1 9 . 1 1 83 83 ALA C C 513 178.140 178.140 178.189 -0.049 18053 5728 1 9 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.277 1.934 18053 5729 1 9 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.476 -1.730 18053 5730 1 9 . 1 1 83 83 ALA H H 513 9.048 9.048 8.929 0.119 18053 5731 1 9 . 1 1 84 84 ALA N N 514 125.146 125.146 125.002 0.144 18053 5732 1 9 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.103 -0.152 18053 5733 1 9 . 1 1 84 84 ALA C C 514 179.519 179.519 179.337 0.182 18053 5734 1 9 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.816 -0.012 18053 5735 1 9 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.912 -0.330 18053 5736 1 9 . 1 1 84 84 ALA H H 514 8.341 8.341 8.407 -0.066 18053 5737 1 9 . 1 1 85 85 GLY N N 515 103.388 103.388 105.013 -1.625 18053 5738 1 9 . 1 1 85 85 GLY C C 515 174.674 174.674 175.126 -0.452 18053 5739 1 9 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.566 0.312 18053 5740 1 9 . 1 1 85 85 GLY H H 515 7.996 7.996 7.793 0.203 18053 5741 1 9 . 1 1 86 86 ALA N N 516 120.140 120.140 122.445 -2.305 18053 5742 1 9 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.404 -0.060 18053 5743 1 9 . 1 1 86 86 ALA C C 516 177.690 177.690 178.202 -0.512 18053 5744 1 9 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.556 0.584 18053 5745 1 9 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.295 1.252 18053 5746 1 9 . 1 1 86 86 ALA H H 516 7.474 7.474 7.358 0.116 18053 5747 1 9 . 1 1 87 87 GLY N N 517 105.720 105.720 107.129 -1.409 18053 5748 1 9 . 1 1 87 87 GLY C C 517 173.650 173.650 174.070 -0.420 18053 5749 1 9 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.183 0.831 18053 5750 1 9 . 1 1 87 87 GLY H H 517 7.779 7.779 7.958 -0.179 18053 5751 1 9 . 1 1 88 88 VAL N N 518 121.537 121.537 119.003 2.534 18053 5752 1 9 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.179 -0.594 18053 5753 1 9 . 1 1 88 88 VAL C C 518 174.851 174.851 174.865 -0.014 18053 5754 1 9 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.467 0.807 18053 5755 1 9 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.716 -0.340 18053 5756 1 9 . 1 1 88 88 VAL H H 518 7.499 7.499 7.713 -0.214 18053 5757 1 9 . 1 1 89 89 ALA N N 519 128.295 128.295 129.544 -1.249 18053 5758 1 9 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.353 -0.161 18053 5759 1 9 . 1 1 89 89 ALA C C 519 176.680 176.680 176.793 -0.113 18053 5760 1 9 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.737 -0.454 18053 5761 1 9 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.113 0.179 18053 5762 1 9 . 1 1 89 89 ALA H H 519 7.960 7.960 8.117 -0.157 18053 5763 1 9 . 1 1 90 90 HIS N N 520 122.643 122.643 124.869 -2.226 18053 5764 1 9 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.406 -0.373 18053 5765 1 9 . 1 1 90 90 HIS C C 520 175.793 175.793 174.450 1.343 18053 5766 1 9 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.012 2.641 18053 5767 1 9 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.836 2.449 18053 5768 1 9 . 1 1 90 90 HIS H H 520 8.394 8.394 8.897 -0.503 18053 5769 1 9 . 1 1 91 91 SER N N 521 121.247 121.247 124.059 -2.812 18053 5770 1 9 . 1 1 91 91 SER HA H 521 4.629 4.629 4.738 -0.109 18053 5771 1 9 . 1 1 91 91 SER CA C 521 55.843 55.843 56.114 -0.271 18053 5772 1 9 . 1 1 91 91 SER CB C 521 62.367 62.367 63.635 -1.268 18053 5773 1 9 . 1 1 91 91 SER H H 521 8.569 8.569 8.603 -0.034 18053 5774 1 9 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.793 -0.791 18053 5775 1 9 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.205 0.039 18053 5776 1 9 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.472 -0.541 18053 5777 1 9 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.978 -0.306 18053 5778 1 9 . 1 1 93 93 PRO C C 523 177.786 177.786 176.117 1.669 18053 5779 1 9 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.252 0.750 18053 5780 1 9 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.213 2.692 18053 5781 1 9 . 1 1 94 94 SER N N 524 117.212 117.212 116.926 0.286 18053 5782 1 9 . 1 1 94 94 SER HA H 524 4.678 4.678 4.801 -0.123 18053 5783 1 9 . 1 1 94 94 SER C C 524 174.851 174.851 174.085 0.766 18053 5784 1 9 . 1 1 94 94 SER CA C 524 61.874 61.874 59.123 2.751 18053 5785 1 9 . 1 1 94 94 SER CB C 524 64.057 64.057 65.595 -1.538 18053 5786 1 9 . 1 1 94 94 SER H H 524 8.463 8.463 7.829 0.634 18053 5787 1 9 . 1 1 95 95 THR N N 525 121.588 121.588 120.149 1.439 18053 5788 1 9 . 1 1 95 95 THR HA H 525 4.859 4.859 5.040 -0.181 18053 5789 1 9 . 1 1 95 95 THR C C 525 172.094 172.094 173.217 -1.123 18053 5790 1 9 . 1 1 95 95 THR CA C 525 62.309 62.309 62.019 0.290 18053 5791 1 9 . 1 1 95 95 THR CB C 525 70.281 70.281 69.429 0.852 18053 5792 1 9 . 1 1 95 95 THR H H 525 7.631 7.631 8.178 -0.547 18053 5793 1 9 . 1 1 96 96 LEU N N 526 127.274 127.274 128.680 -1.406 18053 5794 1 9 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.120 0.011 18053 5795 1 9 . 1 1 96 96 LEU C C 526 175.916 175.916 175.825 0.091 18053 5796 1 9 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.106 -2.031 18053 5797 1 9 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.117 -0.327 18053 5798 1 9 . 1 1 96 96 LEU H H 526 8.977 8.977 8.623 0.354 18053 5799 1 9 . 1 1 97 97 VAL N N 527 124.056 124.056 119.289 4.767 18053 5800 1 9 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.592 0.277 18053 5801 1 9 . 1 1 97 97 VAL C C 527 176.230 176.230 174.916 1.314 18053 5802 1 9 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.042 0.477 18053 5803 1 9 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.231 -0.527 18053 5804 1 9 . 1 1 97 97 VAL H H 527 10.724 10.724 7.686 3.038 18053 5805 1 9 . 1 1 98 98 TRP N N 528 132.586 132.586 130.824 1.762 18053 5806 1 9 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.296 0.669 18053 5807 1 9 . 1 1 98 98 TRP C C 528 173.391 173.391 174.819 -1.428 18053 5808 1 9 . 1 1 98 98 TRP CA C 528 53.303 53.303 54.814 -1.511 18053 5809 1 9 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.356 -0.111 18053 5810 1 9 . 1 1 98 98 TRP H H 528 9.400 9.400 8.687 0.713 18053 5811 1 9 . 1 1 99 99 LYS N N 529 126.644 126.644 129.508 -2.864 18053 5812 1 9 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.102 -0.263 18053 5813 1 9 . 1 1 99 99 LYS C C 529 177.581 177.581 177.360 0.221 18053 5814 1 9 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.668 0.875 18053 5815 1 9 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.922 -0.746 18053 5816 1 9 . 1 1 99 99 LYS H H 529 8.153 8.153 8.150 0.003 18053 5817 1 9 . 1 1 100 100 GLY N N 530 110.385 110.385 112.093 -1.708 18053 5818 1 9 . 1 1 100 100 GLY C C 530 172.367 172.367 173.890 -1.523 18053 5819 1 9 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.955 0.323 18053 5820 1 9 . 1 1 100 100 GLY H H 530 8.363 8.363 8.559 -0.196 18053 5821 1 9 . 1 1 101 101 GLN N N 531 121.162 121.162 122.231 -1.069 18053 5822 1 9 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.085 -0.113 18053 5823 1 9 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.624 -1.004 18053 5824 1 9 . 1 1 101 101 GLN CB C 531 27.595 27.595 27.866 -0.271 18053 5825 1 9 . 1 1 101 101 GLN H H 531 6.815 6.815 7.236 -0.421 18053 5826 1 9 . 1 1 102 102 SER N N 532 122.728 122.728 122.263 0.465 18053 5827 1 9 . 1 1 102 102 SER HA H 532 3.866 3.866 4.345 -0.479 18053 5828 1 9 . 1 1 102 102 SER C C 532 174.537 174.537 176.135 -1.598 18053 5829 1 9 . 1 1 102 102 SER CA C 532 61.983 61.983 61.394 0.589 18053 5830 1 9 . 1 1 102 102 SER CB C 532 62.802 62.802 63.069 -0.267 18053 5831 1 9 . 1 1 102 102 SER H H 532 8.662 8.662 8.380 0.282 18053 5832 1 9 . 1 1 103 103 SER N N 533 110.811 110.811 117.992 -7.181 18053 5833 1 9 . 1 1 103 103 SER HA H 533 4.240 4.240 4.319 -0.079 18053 5834 1 9 . 1 1 103 103 SER C C 533 174.087 174.087 174.440 -0.353 18053 5835 1 9 . 1 1 103 103 SER CA C 533 56.633 56.633 58.899 -2.266 18053 5836 1 9 . 1 1 103 103 SER CB C 533 64.658 64.658 63.520 1.138 18053 5837 1 9 . 1 1 103 103 SER H H 533 7.134 7.134 7.970 -0.836 18053 5838 1 9 . 1 1 104 104 TRP N N 534 126.133 126.133 121.832 4.301 18053 5839 1 9 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.182 -0.084 18053 5840 1 9 . 1 1 104 104 TRP C C 534 176.066 176.066 175.058 1.008 18053 5841 1 9 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.540 2.587 18053 5842 1 9 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.997 -0.233 18053 5843 1 9 . 1 1 104 104 TRP H H 534 9.764 9.764 7.752 2.012 18053 5844 1 9 . 1 1 105 105 GLY N N 535 105.907 105.907 105.719 0.188 18053 5845 1 9 . 1 1 105 105 GLY C C 535 172.217 172.217 174.720 -2.503 18053 5846 1 9 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.653 -0.413 18053 5847 1 9 . 1 1 105 105 GLY H H 535 8.095 8.095 8.139 -0.044 18053 5848 1 9 . 1 1 106 106 THR N N 536 111.253 111.253 112.286 -1.033 18053 5849 1 9 . 1 1 106 106 THR HA H 536 3.859 3.859 4.400 -0.541 18053 5850 1 9 . 1 1 106 106 THR C C 536 172.872 172.872 175.266 -2.394 18053 5851 1 9 . 1 1 106 106 THR CA C 536 59.635 59.635 62.194 -2.559 18053 5852 1 9 . 1 1 106 106 THR CB C 536 70.526 70.526 69.661 0.865 18053 5853 1 9 . 1 1 106 106 THR H H 536 7.913 7.913 8.112 -0.199 18053 5854 1 9 . 1 1 107 107 GLY N N 537 107.712 107.712 113.050 -5.338 18053 5855 1 9 . 1 1 107 107 GLY C C 537 172.709 172.709 172.943 -0.234 18053 5856 1 9 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.195 -0.029 18053 5857 1 9 . 1 1 107 107 GLY H H 537 7.533 7.533 8.368 -0.835 18053 5858 1 9 . 1 1 108 108 GLU N N 538 118.864 118.864 119.337 -0.473 18053 5859 1 9 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.081 0.055 18053 5860 1 9 . 1 1 108 108 GLU C C 538 176.353 176.353 175.386 0.967 18053 5861 1 9 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.468 0.884 18053 5862 1 9 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.012 0.144 18053 5863 1 9 . 1 1 108 108 GLU H H 538 8.558 8.558 8.506 0.052 18053 5864 1 9 . 1 1 109 109 SER N N 539 110.419 110.419 111.613 -1.194 18053 5865 1 9 . 1 1 109 109 SER HA H 539 4.963 4.963 4.743 0.220 18053 5866 1 9 . 1 1 109 109 SER C C 539 173.787 173.787 172.065 1.722 18053 5867 1 9 . 1 1 109 109 SER CA C 539 57.125 57.125 57.284 -0.159 18053 5868 1 9 . 1 1 109 109 SER CB C 539 64.439 64.439 64.423 0.016 18053 5869 1 9 . 1 1 109 109 SER H H 539 7.620 7.620 7.412 0.208 18053 5870 1 9 . 1 1 110 110 PHE N N 540 118.778 118.778 120.159 -1.381 18053 5871 1 9 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.311 -0.230 18053 5872 1 9 . 1 1 110 110 PHE C C 540 176.052 176.052 173.484 2.568 18053 5873 1 9 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.090 0.699 18053 5874 1 9 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.433 -0.673 18053 5875 1 9 . 1 1 110 110 PHE H H 540 8.318 8.318 8.719 -0.401 18053 5876 1 9 . 1 1 112 112 THR HA H 542 5.468 5.468 4.750 0.718 18053 5877 1 9 . 1 1 112 112 THR C C 542 172.381 172.381 173.369 -0.988 18053 5878 1 9 . 1 1 112 112 THR CA C 542 61.818 61.818 63.301 -1.483 18053 5879 1 9 . 1 1 112 112 THR CB C 542 70.990 70.990 69.792 1.198 18053 5880 1 9 . 1 1 113 113 VAL N N 543 124.771 124.771 126.408 -1.637 18053 5881 1 9 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.435 0.429 18053 5882 1 9 . 1 1 113 113 VAL C C 543 173.132 173.132 173.885 -0.753 18053 5883 1 9 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.079 -0.980 18053 5884 1 9 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.927 1.506 18053 5885 1 9 . 1 1 113 113 VAL H H 543 9.380 9.380 8.721 0.659 18053 5886 1 9 . 1 1 114 114 LEU N N 544 128.789 128.789 127.190 1.599 18053 5887 1 9 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.150 0.170 18053 5888 1 9 . 1 1 114 114 LEU C C 544 174.237 174.237 175.157 -0.920 18053 5889 1 9 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.696 -0.503 18053 5890 1 9 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.828 1.051 18053 5891 1 9 . 1 1 114 114 LEU H H 544 8.948 8.948 8.545 0.403 18053 5892 1 9 . 1 1 115 115 VAL N N 545 127.002 127.002 126.627 0.375 18053 5893 1 9 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.744 0.110 18053 5894 1 9 . 1 1 115 115 VAL C C 545 175.206 175.206 175.330 -0.124 18053 5895 1 9 . 1 1 115 115 VAL CA C 545 59.334 59.334 59.641 -0.307 18053 5896 1 9 . 1 1 115 115 VAL CB C 545 34.495 34.495 33.757 0.738 18053 5897 1 9 . 1 1 115 115 VAL H H 545 9.564 9.564 9.044 0.520 18053 5898 1 9 . 1 1 116 116 ASN N N 546 121.179 121.179 121.318 -0.139 18053 5899 1 9 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.602 -0.705 18053 5900 1 9 . 1 1 116 116 ASN C C 546 176.885 176.885 174.498 2.387 18053 5901 1 9 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.108 -0.699 18053 5902 1 9 . 1 1 116 116 ASN CB C 546 36.639 36.639 40.023 -3.384 18053 5903 1 9 . 1 1 116 116 ASN H H 546 8.016 8.016 7.935 0.081 18053 5904 1 9 . 1 1 117 117 ALA N N 547 119.834 119.834 121.336 -1.502 18053 5905 1 9 . 1 1 117 117 ALA HA H 547 3.866 3.866 3.944 -0.078 18053 5906 1 9 . 1 1 117 117 ALA C C 547 177.772 177.772 178.197 -0.425 18053 5907 1 9 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.349 0.156 18053 5908 1 9 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.374 -0.174 18053 5909 1 9 . 1 1 117 117 ALA H H 547 6.444 6.444 7.824 -1.380 18053 5910 1 9 . 1 1 118 118 ASP N N 548 115.646 115.646 117.990 -2.344 18053 5911 1 9 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.371 0.273 18053 5912 1 9 . 1 1 118 118 ASP C C 548 176.052 176.052 177.421 -1.369 18053 5913 1 9 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.575 -1.508 18053 5914 1 9 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.304 0.370 18053 5915 1 9 . 1 1 118 118 ASP H H 548 7.181 7.181 8.038 -0.857 18053 5916 1 9 . 1 1 119 119 GLY N N 549 107.167 107.167 105.850 1.317 18053 5917 1 9 . 1 1 119 119 GLY C C 549 173.841 173.841 173.424 0.417 18053 5918 1 9 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.607 0.848 18053 5919 1 9 . 1 1 119 119 GLY H H 549 7.738 7.738 7.548 0.190 18053 5920 1 9 . 1 1 120 120 GLU N N 550 121.196 121.196 121.557 -0.361 18053 5921 1 9 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.242 -0.130 18053 5922 1 9 . 1 1 120 120 GLU C C 550 175.588 175.588 175.550 0.038 18053 5923 1 9 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.957 -1.126 18053 5924 1 9 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.548 -0.611 18053 5925 1 9 . 1 1 120 120 GLU H H 550 7.587 7.587 7.635 -0.048 18053 5926 1 9 . 1 1 121 121 GLU N N 551 123.886 123.886 123.990 -0.104 18053 5927 1 9 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.354 -0.078 18053 5928 1 9 . 1 1 121 121 GLU C C 551 176.817 176.817 176.559 0.258 18053 5929 1 9 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.196 0.600 18053 5930 1 9 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.032 -0.077 18053 5931 1 9 . 1 1 121 121 GLU H H 551 8.697 8.697 8.706 -0.009 18053 5932 1 9 . 1 1 122 122 VAL N N 552 120.055 120.055 120.191 -0.136 18053 5933 1 9 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.078 0.286 18053 5934 1 9 . 1 1 122 122 VAL C C 552 175.998 175.998 175.726 0.272 18053 5935 1 9 . 1 1 122 122 VAL CA C 552 61.655 61.655 63.101 -1.446 18053 5936 1 9 . 1 1 122 122 VAL CB C 552 33.049 33.049 31.935 1.114 18053 5937 1 9 . 1 1 122 122 VAL H H 552 8.845 8.845 8.217 0.628 18053 5938 1 9 . 1 1 123 123 ALA N N 553 122.098 122.098 121.763 0.335 18053 5939 1 9 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.680 0.210 18053 5940 1 9 . 1 1 123 123 ALA C C 553 175.261 175.261 175.357 -0.096 18053 5941 1 9 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.299 1.458 18053 5942 1 9 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.934 0.333 18053 5943 1 9 . 1 1 123 123 ALA H H 553 7.788 7.788 7.809 -0.021 18053 5944 1 9 . 1 1 124 124 MET N N 554 118.217 118.217 119.827 -1.610 18053 5945 1 9 . 1 1 124 124 MET HA H 554 5.286 5.286 4.973 0.313 18053 5946 1 9 . 1 1 124 124 MET C C 554 174.428 174.428 174.116 0.312 18053 5947 1 9 . 1 1 124 124 MET CA C 554 55.104 55.104 55.934 -0.830 18053 5948 1 9 . 1 1 124 124 MET CB C 554 35.342 35.342 36.090 -0.748 18053 5949 1 9 . 1 1 124 124 MET H H 554 8.693 8.693 8.576 0.117 18053 5950 1 9 . 1 1 125 125 ARG N N 555 122.132 122.132 127.606 -5.474 18053 5951 1 9 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.827 0.073 18053 5952 1 9 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.196 1.192 18053 5953 1 9 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.134 1.244 18053 5954 1 9 . 1 1 125 125 ARG H H 555 8.919 8.919 9.001 -0.082 18053 5955 1 9 . 1 1 126 126 THR HA H 556 4.685 4.685 4.679 0.006 18053 5956 1 9 . 1 1 126 126 THR C C 556 172.436 172.436 173.585 -1.149 18053 5957 1 9 . 1 1 126 126 THR CA C 556 61.382 61.382 62.646 -1.264 18053 5958 1 9 . 1 1 126 126 THR CB C 556 70.444 70.444 69.736 0.709 18053 5959 1 9 . 1 1 127 127 VAL N N 557 124.976 124.976 128.760 -3.784 18053 5960 1 9 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.263 -0.117 18053 5961 1 9 . 1 1 127 127 VAL C C 557 173.937 173.937 173.743 0.194 18053 5962 1 9 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.940 0.170 18053 5963 1 9 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.912 -0.153 18053 5964 1 9 . 1 1 127 127 VAL H H 557 8.127 8.127 8.901 -0.774 18053 5965 1 9 . 1 1 128 128 LYS N N 558 125.384 125.384 126.148 -0.764 18053 5966 1 9 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.568 0.138 18053 5967 1 9 . 1 1 128 128 LYS C C 558 175.534 175.534 175.558 -0.024 18053 5968 1 9 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.196 1.690 18053 5969 1 9 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.840 0.834 18053 5970 1 9 . 1 1 128 128 LYS H H 558 8.289 8.289 8.388 -0.099 18053 5971 1 9 . 1 1 129 129 LYS N N 559 124.005 124.005 126.064 -2.059 18053 5972 1 9 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.138 0.172 18053 5973 1 9 . 1 1 129 129 LYS C C 559 176.571 176.571 176.148 0.423 18053 5974 1 9 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.170 -0.429 18053 5975 1 9 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.762 1.600 18053 5976 1 9 . 1 1 129 129 LYS H H 559 8.461 8.461 8.193 0.268 18053 5977 1 9 . 1 1 130 130 SER N N 560 117.195 117.195 120.451 -3.256 18053 5978 1 9 . 1 1 130 130 SER HA H 560 4.384 4.384 4.487 -0.103 18053 5979 1 9 . 1 1 130 130 SER C C 560 174.565 174.565 173.560 1.005 18053 5980 1 9 . 1 1 130 130 SER CA C 560 58.434 58.434 57.999 0.435 18053 5981 1 9 . 1 1 130 130 SER CB C 560 63.812 63.812 63.755 0.057 18053 5982 1 9 . 1 1 130 130 SER H H 560 8.465 8.465 8.253 0.212 18053 5983 1 9 . 1 1 131 131 SER N N 561 118.149 118.149 118.013 0.136 18053 5984 1 9 . 1 1 131 131 SER HA H 561 4.412 4.412 4.720 -0.308 18053 5985 1 9 . 1 1 131 131 SER C C 561 174.456 174.456 174.166 0.290 18053 5986 1 9 . 1 1 131 131 SER CA C 561 58.489 58.489 57.660 0.829 18053 5987 1 9 . 1 1 131 131 SER CB C 561 63.811 63.811 65.055 -1.244 18053 5988 1 9 . 1 1 131 131 SER H H 561 8.336 8.336 7.790 0.546 18053 5989 1 9 . 1 1 132 132 VAL N N 562 121.332 121.332 121.104 0.228 18053 5990 1 9 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.196 -0.161 18053 5991 1 9 . 1 1 132 132 VAL C C 562 176.066 176.066 175.292 0.774 18053 5992 1 9 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.011 0.435 18053 5993 1 9 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.823 0.571 18053 5994 1 9 . 1 1 132 132 VAL H H 562 7.982 7.982 8.501 -0.519 18053 5995 1 9 . 1 1 133 133 MET N N 563 124.022 124.022 121.289 2.733 18053 5996 1 9 . 1 1 133 133 MET HA H 563 4.385 4.385 4.332 0.053 18053 5997 1 9 . 1 1 133 133 MET C C 563 176.039 176.039 176.038 0.001 18053 5998 1 9 . 1 1 133 133 MET CA C 563 55.350 55.350 55.962 -0.612 18053 5999 1 9 . 1 1 133 133 MET CB C 563 32.503 32.503 32.545 -0.042 18053 6000 1 9 . 1 1 133 133 MET H H 563 8.295 8.295 7.663 0.632 18053 6001 1 9 . 1 1 134 134 ARG N N 564 122.677 122.677 124.606 -1.929 18053 6002 1 9 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.471 -0.209 18053 6003 1 9 . 1 1 134 134 ARG C C 564 176.298 176.298 175.381 0.917 18053 6004 1 9 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.432 -0.345 18053 6005 1 9 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.795 -0.093 18053 6006 1 9 . 1 1 134 134 ARG H H 564 8.295 8.295 8.303 -0.008 18053 6007 1 9 . 1 1 135 135 GLU N N 565 121.945 121.945 125.731 -3.786 18053 6008 1 9 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.456 -0.296 18053 6009 1 9 . 1 1 135 135 GLU C C 565 176.080 176.080 174.362 1.718 18053 6010 1 9 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.447 0.459 18053 6011 1 9 . 1 1 135 135 GLU CB C 565 29.774 29.774 31.267 -1.493 18053 6012 1 9 . 1 1 135 135 GLU H H 565 8.470 8.470 8.617 -0.147 18053 6013 1 9 . 1 1 136 136 ASN N N 566 118.761 118.761 122.333 -3.572 18053 6014 1 9 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.981 -0.364 18053 6015 1 9 . 1 1 136 136 ASN C C 566 175.315 175.315 173.499 1.816 18053 6016 1 9 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.057 0.136 18053 6017 1 9 . 1 1 136 136 ASN CB C 566 38.836 38.836 39.941 -1.105 18053 6018 1 9 . 1 1 136 136 ASN H H 566 8.341 8.341 8.426 -0.085 18053 6019 1 9 . 1 1 137 137 GLU N N 567 121.349 121.349 118.882 2.467 18053 6020 1 9 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.231 -0.079 18053 6021 1 9 . 1 1 137 137 GLU C C 567 176.243 176.243 175.624 0.619 18053 6022 1 9 . 1 1 137 137 GLU CA C 567 56.906 56.906 56.805 0.101 18053 6023 1 9 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.721 -0.729 18053 6024 1 9 . 1 1 137 137 GLU H H 567 8.349 8.349 8.608 -0.259 18053 6025 1 9 . 1 1 138 138 ASN N N 568 118.761 118.761 121.336 -2.575 18053 6026 1 9 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.755 -0.043 18053 6027 1 9 . 1 1 138 138 ASN C C 568 174.551 174.551 175.521 -0.970 18053 6028 1 9 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.482 -0.289 18053 6029 1 9 . 1 1 138 138 ASN CB C 568 39.327 39.327 37.385 1.942 18053 6030 1 9 . 1 1 138 138 ASN H H 568 8.397 8.397 8.320 0.077 18053 6031 1 10 . 1 1 20 20 ALA N N 450 125.180 125.180 125.311 -0.131 18053 6032 1 10 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.650 0.056 18053 6033 1 10 . 1 1 20 20 ALA C C 450 177.226 177.226 176.301 0.925 18053 6034 1 10 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.860 0.897 18053 6035 1 10 . 1 1 20 20 ALA CB C 450 20.411 20.411 20.289 0.122 18053 6036 1 10 . 1 1 20 20 ALA H H 450 8.484 8.484 8.456 0.028 18053 6037 1 10 . 1 1 21 21 SER N N 451 115.714 115.714 116.881 -1.167 18053 6038 1 10 . 1 1 21 21 SER HA H 451 4.513 4.513 4.321 0.192 18053 6039 1 10 . 1 1 21 21 SER C C 451 174.742 174.742 175.095 -0.353 18053 6040 1 10 . 1 1 21 21 SER CA C 451 58.516 58.516 58.361 0.155 18053 6041 1 10 . 1 1 21 21 SER CB C 451 64.159 64.159 62.131 2.028 18053 6042 1 10 . 1 1 21 21 SER H H 451 8.487 8.487 8.218 0.269 18053 6043 1 10 . 1 1 22 22 GLY N N 452 111.509 111.509 116.117 -4.608 18053 6044 1 10 . 1 1 22 22 GLY C C 452 174.401 174.401 174.847 -0.446 18053 6045 1 10 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.086 -0.027 18053 6046 1 10 . 1 1 22 22 GLY H H 452 8.198 8.198 8.471 -0.273 18053 6047 1 10 . 1 1 23 23 SER N N 453 116.191 116.191 115.236 0.955 18053 6048 1 10 . 1 1 23 23 SER HA H 453 4.364 4.364 4.447 -0.083 18053 6049 1 10 . 1 1 23 23 SER C C 453 173.432 173.432 174.130 -0.698 18053 6050 1 10 . 1 1 23 23 SER CA C 453 59.744 59.744 61.120 -1.376 18053 6051 1 10 . 1 1 23 23 SER CB C 453 64.335 64.335 64.442 -0.107 18053 6052 1 10 . 1 1 23 23 SER H H 453 8.494 8.494 8.017 0.477 18053 6053 1 10 . 1 1 24 24 VAL N N 454 121.656 121.656 117.759 3.897 18053 6054 1 10 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.271 0.764 18053 6055 1 10 . 1 1 24 24 VAL C C 454 174.606 174.606 174.779 -0.173 18053 6056 1 10 . 1 1 24 24 VAL CA C 454 61.055 61.055 60.778 0.278 18053 6057 1 10 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.353 -0.850 18053 6058 1 10 . 1 1 24 24 VAL H H 454 7.830 7.830 8.017 -0.187 18053 6059 1 10 . 1 1 25 25 SER N N 455 119.323 119.323 117.940 1.383 18053 6060 1 10 . 1 1 25 25 SER HA H 455 4.672 4.672 4.932 -0.260 18053 6061 1 10 . 1 1 25 25 SER C C 455 174.426 174.426 173.287 1.139 18053 6062 1 10 . 1 1 25 25 SER CA C 455 55.268 55.268 55.161 0.107 18053 6063 1 10 . 1 1 25 25 SER CB C 455 65.162 65.162 65.156 0.007 18053 6064 1 10 . 1 1 25 25 SER H H 455 9.065 9.065 8.773 0.292 18053 6065 1 10 . 1 1 26 26 ILE N N 456 119.468 119.468 121.875 -2.407 18053 6066 1 10 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.262 -0.082 18053 6067 1 10 . 1 1 26 26 ILE C C 456 175.506 175.506 175.375 0.131 18053 6068 1 10 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.391 -0.063 18053 6069 1 10 . 1 1 26 26 ILE CB C 456 37.962 37.962 38.216 -0.254 18053 6070 1 10 . 1 1 26 26 ILE H H 456 8.295 8.295 8.639 -0.344 18053 6071 1 10 . 1 1 27 27 GLU N N 457 129.726 129.726 129.485 0.241 18053 6072 1 10 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.316 -0.088 18053 6073 1 10 . 1 1 27 27 GLU C C 457 175.179 175.179 176.860 -1.681 18053 6074 1 10 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.472 -2.040 18053 6075 1 10 . 1 1 27 27 GLU CB C 457 30.142 30.142 31.342 -1.200 18053 6076 1 10 . 1 1 27 27 GLU H H 457 8.393 8.393 8.871 -0.478 18053 6077 1 10 . 1 1 28 28 GLU N N 458 117.076 117.076 117.504 -0.428 18053 6078 1 10 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.641 -0.473 18053 6079 1 10 . 1 1 28 28 GLU C C 458 174.701 174.701 175.117 -0.416 18053 6080 1 10 . 1 1 28 28 GLU CA C 458 56.906 56.906 54.340 2.566 18053 6081 1 10 . 1 1 28 28 GLU CB C 458 31.848 31.848 32.787 -0.939 18053 6082 1 10 . 1 1 28 28 GLU H H 458 7.489 7.489 8.165 -0.676 18053 6083 1 10 . 1 1 29 29 ILE N N 459 122.183 122.183 119.171 3.012 18053 6084 1 10 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.085 -0.321 18053 6085 1 10 . 1 1 29 29 ILE C C 459 174.169 174.169 174.886 -0.717 18053 6086 1 10 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.552 -0.026 18053 6087 1 10 . 1 1 29 29 ILE CB C 459 40.309 40.309 42.051 -1.742 18053 6088 1 10 . 1 1 29 29 ILE H H 459 8.126 8.126 8.202 -0.076 18053 6089 1 10 . 1 1 30 30 ASP N N 460 123.205 123.205 122.849 0.356 18053 6090 1 10 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.150 0.033 18053 6091 1 10 . 1 1 30 30 ASP C C 460 178.318 178.318 177.437 0.881 18053 6092 1 10 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.997 -0.067 18053 6093 1 10 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.222 0.585 18053 6094 1 10 . 1 1 30 30 ASP H H 460 6.704 6.704 7.448 -0.744 18053 6095 1 10 . 1 1 31 31 LEU N N 461 128.551 128.551 121.700 6.851 18053 6096 1 10 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.118 -0.054 18053 6097 1 10 . 1 1 31 31 LEU C C 461 177.513 177.513 177.450 0.063 18053 6098 1 10 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.146 -0.022 18053 6099 1 10 . 1 1 31 31 LEU CB C 461 41.237 41.237 42.012 -0.775 18053 6100 1 10 . 1 1 31 31 LEU H H 461 9.012 9.012 8.267 0.745 18053 6101 1 10 . 1 1 32 32 GLU N N 462 115.101 115.101 117.080 -1.979 18053 6102 1 10 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.321 -0.038 18053 6103 1 10 . 1 1 32 32 GLU C C 462 177.062 177.062 176.953 0.109 18053 6104 1 10 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.007 -1.248 18053 6105 1 10 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.777 -1.208 18053 6106 1 10 . 1 1 32 32 GLU H H 462 7.588 7.588 7.798 -0.210 18053 6107 1 10 . 1 1 33 33 GLY N N 463 106.299 106.299 106.660 -0.361 18053 6108 1 10 . 1 1 33 33 GLY C C 463 174.824 174.824 174.937 -0.113 18053 6109 1 10 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.846 1.960 18053 6110 1 10 . 1 1 33 33 GLY H H 463 7.372 7.372 8.054 -0.682 18053 6111 1 10 . 1 1 34 34 LYS N N 464 118.744 118.744 119.132 -0.388 18053 6112 1 10 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.305 0.257 18053 6113 1 10 . 1 1 34 34 LYS C C 464 177.076 177.076 175.078 1.998 18053 6114 1 10 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.670 2.293 18053 6115 1 10 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.406 -0.295 18053 6116 1 10 . 1 1 34 34 LYS H H 464 9.547 9.547 8.110 1.437 18053 6117 1 10 . 1 1 35 35 PHE N N 465 109.125 109.125 111.737 -2.612 18053 6118 1 10 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.886 0.628 18053 6119 1 10 . 1 1 35 35 PHE C C 465 174.183 174.183 172.720 1.463 18053 6120 1 10 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.312 1.320 18053 6121 1 10 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.934 -0.336 18053 6122 1 10 . 1 1 35 35 PHE H H 465 6.740 6.740 6.972 -0.232 18053 6123 1 10 . 1 1 36 36 VAL N N 466 119.579 119.579 119.993 -0.414 18053 6124 1 10 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.097 -0.388 18053 6125 1 10 . 1 1 36 36 VAL C C 466 172.668 172.668 174.338 -1.670 18053 6126 1 10 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.132 1.560 18053 6127 1 10 . 1 1 36 36 VAL CB C 466 36.215 36.215 33.786 2.429 18053 6128 1 10 . 1 1 36 36 VAL H H 466 7.628 7.628 8.282 -0.654 18053 6129 1 10 . 1 1 37 37 GLN N N 467 126.831 126.831 128.592 -1.761 18053 6130 1 10 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.794 0.655 18053 6131 1 10 . 1 1 37 37 GLN C C 467 174.797 174.797 174.738 0.059 18053 6132 1 10 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.897 -0.776 18053 6133 1 10 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.255 5.368 18053 6134 1 10 . 1 1 37 37 GLN H H 467 8.392 8.392 8.424 -0.032 18053 6135 1 10 . 1 1 38 38 LEU N N 468 123.018 123.018 127.899 -4.881 18053 6136 1 10 . 1 1 38 38 LEU HA H 468 5.422 5.422 4.918 0.504 18053 6137 1 10 . 1 1 38 38 LEU C C 468 175.588 175.588 175.832 -0.244 18053 6138 1 10 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.992 -1.290 18053 6139 1 10 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.241 0.805 18053 6140 1 10 . 1 1 38 38 LEU H H 468 9.103 9.103 9.183 -0.080 18053 6141 1 10 . 1 1 39 39 LYS N N 469 118.983 118.983 121.043 -2.060 18053 6142 1 10 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.863 -0.011 18053 6143 1 10 . 1 1 39 39 LYS C C 469 173.309 173.309 174.588 -1.279 18053 6144 1 10 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.421 0.573 18053 6145 1 10 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.442 1.804 18053 6146 1 10 . 1 1 39 39 LYS H H 469 8.496 8.496 8.605 -0.109 18053 6147 1 10 . 1 1 40 40 ASN N N 470 121.758 121.758 124.163 -2.405 18053 6148 1 10 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.917 -0.129 18053 6149 1 10 . 1 1 40 40 ASN C C 470 174.496 174.496 174.513 -0.017 18053 6150 1 10 . 1 1 40 40 ASN CA C 470 51.119 51.119 53.126 -2.007 18053 6151 1 10 . 1 1 40 40 ASN CB C 470 37.559 37.559 40.507 -2.947 18053 6152 1 10 . 1 1 40 40 ASN H H 470 8.283 8.283 8.751 -0.468 18053 6153 1 10 . 1 1 41 41 ASN N N 471 122.422 122.422 123.968 -1.546 18053 6154 1 10 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.878 -0.290 18053 6155 1 10 . 1 1 41 41 ASN C C 471 174.810 174.810 174.729 0.081 18053 6156 1 10 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.040 0.945 18053 6157 1 10 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.526 0.074 18053 6158 1 10 . 1 1 41 41 ASN H H 471 8.681 8.681 8.346 0.335 18053 6159 1 10 . 1 1 42 42 SER N N 472 116.446 116.446 115.513 0.933 18053 6160 1 10 . 1 1 42 42 SER HA H 472 4.719 4.719 4.460 0.259 18053 6161 1 10 . 1 1 42 42 SER C C 472 172.804 172.804 174.621 -1.817 18053 6162 1 10 . 1 1 42 42 SER CA C 472 57.288 57.288 57.924 -0.636 18053 6163 1 10 . 1 1 42 42 SER CB C 472 66.241 66.241 64.455 1.786 18053 6164 1 10 . 1 1 42 42 SER H H 472 8.370 8.370 8.037 0.333 18053 6165 1 10 . 1 1 43 43 ASP N N 473 117.706 117.706 119.668 -1.962 18053 6166 1 10 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.567 -0.093 18053 6167 1 10 . 1 1 43 43 ASP C C 473 175.343 175.343 175.782 -0.439 18053 6168 1 10 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.099 -1.578 18053 6169 1 10 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.316 -0.994 18053 6170 1 10 . 1 1 43 43 ASP H H 473 8.254 8.254 8.512 -0.258 18053 6171 1 10 . 1 1 44 44 LYS N N 474 120.209 120.209 119.728 0.481 18053 6172 1 10 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.382 0.187 18053 6173 1 10 . 1 1 44 44 LYS C C 474 175.397 175.397 175.319 0.078 18053 6174 1 10 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.681 -0.669 18053 6175 1 10 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.137 1.246 18053 6176 1 10 . 1 1 44 44 LYS H H 474 8.305 8.305 7.541 0.764 18053 6177 1 10 . 1 1 45 45 ASP N N 475 124.993 124.993 120.068 4.925 18053 6178 1 10 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.342 -0.367 18053 6179 1 10 . 1 1 45 45 ASP C C 475 174.810 174.810 175.814 -1.004 18053 6180 1 10 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.037 0.958 18053 6181 1 10 . 1 1 45 45 ASP CB C 475 40.364 40.364 41.107 -0.743 18053 6182 1 10 . 1 1 45 45 ASP H H 475 8.722 8.722 8.317 0.405 18053 6183 1 10 . 1 1 46 46 GLN N N 476 120.549 120.549 122.375 -1.826 18053 6184 1 10 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.420 0.016 18053 6185 1 10 . 1 1 46 46 GLN C C 476 174.019 174.019 175.114 -1.095 18053 6186 1 10 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.103 -0.965 18053 6187 1 10 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.601 1.865 18053 6188 1 10 . 1 1 46 46 GLN H H 476 7.878 7.878 8.062 -0.184 18053 6189 1 10 . 1 1 47 47 SER N N 477 121.537 121.537 121.025 0.512 18053 6190 1 10 . 1 1 47 47 SER HA H 477 4.229 4.229 4.130 0.099 18053 6191 1 10 . 1 1 47 47 SER C C 477 174.565 174.565 173.821 0.744 18053 6192 1 10 . 1 1 47 47 SER CA C 477 58.706 58.706 58.553 0.153 18053 6193 1 10 . 1 1 47 47 SER CB C 477 62.965 62.965 63.075 -0.110 18053 6194 1 10 . 1 1 47 47 SER H H 477 8.748 8.748 8.581 0.167 18053 6195 1 10 . 1 1 48 48 LEU N N 478 127.751 127.751 126.303 1.448 18053 6196 1 10 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.321 -1.690 18053 6197 1 10 . 1 1 48 48 LEU C C 478 176.789 176.789 177.262 -0.473 18053 6198 1 10 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.786 -1.684 18053 6199 1 10 . 1 1 48 48 LEU CB C 478 42.343 42.343 44.762 -2.419 18053 6200 1 10 . 1 1 48 48 LEU H H 478 7.856 7.856 7.502 0.354 18053 6201 1 10 . 1 1 49 49 GLY N N 479 107.525 107.525 107.305 0.220 18053 6202 1 10 . 1 1 49 49 GLY C C 479 176.653 176.653 175.332 1.321 18053 6203 1 10 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.982 2.080 18053 6204 1 10 . 1 1 49 49 GLY H H 479 7.728 7.728 8.715 -0.987 18053 6205 1 10 . 1 1 50 50 ASN N N 480 117.059 117.059 119.149 -2.090 18053 6206 1 10 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.571 -0.316 18053 6207 1 10 . 1 1 50 50 ASN C C 480 174.961 174.961 175.564 -0.603 18053 6208 1 10 . 1 1 50 50 ASN CA C 480 56.360 56.360 55.196 1.164 18053 6209 1 10 . 1 1 50 50 ASN CB C 480 37.416 37.416 39.000 -1.584 18053 6210 1 10 . 1 1 50 50 ASN H H 480 7.552 7.552 8.572 -1.020 18053 6211 1 10 . 1 1 51 51 TRP N N 481 122.166 122.166 117.780 4.386 18053 6212 1 10 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.740 -0.263 18053 6213 1 10 . 1 1 51 51 TRP C C 481 175.575 175.575 175.744 -0.169 18053 6214 1 10 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.060 0.702 18053 6215 1 10 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.424 -2.383 18053 6216 1 10 . 1 1 51 51 TRP H H 481 8.914 8.914 7.699 1.215 18053 6217 1 10 . 1 1 52 52 ARG N N 482 116.480 116.480 115.229 1.251 18053 6218 1 10 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.127 0.841 18053 6219 1 10 . 1 1 52 52 ARG C C 482 175.807 175.807 174.571 1.236 18053 6220 1 10 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.276 -1.155 18053 6221 1 10 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.863 1.261 18053 6222 1 10 . 1 1 52 52 ARG H H 482 9.147 9.147 9.264 -0.117 18053 6223 1 10 . 1 1 53 53 ILE N N 483 119.579 119.579 124.376 -4.797 18053 6224 1 10 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.955 0.030 18053 6225 1 10 . 1 1 53 53 ILE C C 483 175.670 175.670 175.643 0.027 18053 6226 1 10 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.478 -0.078 18053 6227 1 10 . 1 1 53 53 ILE CB C 483 40.227 40.227 39.344 0.883 18053 6228 1 10 . 1 1 53 53 ILE H H 483 9.000 9.000 8.824 0.176 18053 6229 1 10 . 1 1 54 54 LYS N N 484 124.737 124.737 128.125 -3.388 18053 6230 1 10 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.794 0.669 18053 6231 1 10 . 1 1 54 54 LYS C C 484 175.575 175.575 175.770 -0.195 18053 6232 1 10 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.480 -1.867 18053 6233 1 10 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.836 1.205 18053 6234 1 10 . 1 1 54 54 LYS H H 484 9.678 9.678 8.742 0.936 18053 6235 1 10 . 1 1 55 55 ARG N N 485 124.090 124.090 125.332 -1.242 18053 6236 1 10 . 1 1 55 55 ARG HA H 485 5.525 5.525 5.213 0.312 18053 6237 1 10 . 1 1 55 55 ARG C C 485 174.155 174.155 174.342 -0.187 18053 6238 1 10 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.455 -1.552 18053 6239 1 10 . 1 1 55 55 ARG H H 485 9.314 9.314 8.808 0.506 18053 6240 1 10 . 1 1 56 56 GLN N N 486 126.576 126.576 126.928 -0.352 18053 6241 1 10 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.728 0.114 18053 6242 1 10 . 1 1 56 56 GLN C C 486 174.991 174.991 174.539 0.452 18053 6243 1 10 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.347 0.484 18053 6244 1 10 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.223 2.242 18053 6245 1 10 . 1 1 56 56 GLN H H 486 8.831 8.831 8.737 0.094 18053 6246 1 10 . 1 1 57 57 VAL N N 487 126.712 126.712 124.635 2.077 18053 6247 1 10 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.206 0.060 18053 6248 1 10 . 1 1 57 57 VAL C C 487 175.916 175.916 177.664 -1.748 18053 6249 1 10 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.702 0.118 18053 6250 1 10 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.652 0.151 18053 6251 1 10 . 1 1 57 57 VAL H H 487 8.786 8.786 8.504 0.282 18053 6252 1 10 . 1 1 58 58 LEU N N 488 127.274 127.274 124.920 2.354 18053 6253 1 10 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.167 -0.082 18053 6254 1 10 . 1 1 58 58 LEU C C 488 177.158 177.158 177.679 -0.521 18053 6255 1 10 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.666 -0.760 18053 6256 1 10 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.715 -0.341 18053 6257 1 10 . 1 1 58 58 LEU H H 488 8.316 8.316 8.502 -0.186 18053 6258 1 10 . 1 1 59 59 GLU N N 489 119.647 119.647 119.550 0.097 18053 6259 1 10 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.179 -0.067 18053 6260 1 10 . 1 1 59 59 GLU C C 489 176.230 176.230 177.534 -1.304 18053 6261 1 10 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.787 0.228 18053 6262 1 10 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.241 -1.092 18053 6263 1 10 . 1 1 59 59 GLU H H 489 8.636 8.636 8.317 0.319 18053 6264 1 10 . 1 1 60 60 GLY N N 490 108.819 108.819 107.216 1.603 18053 6265 1 10 . 1 1 60 60 GLY C C 490 173.568 173.568 173.697 -0.129 18053 6266 1 10 . 1 1 60 60 GLY CA C 490 44.773 44.773 45.091 -0.318 18053 6267 1 10 . 1 1 60 60 GLY H H 490 8.160 8.160 8.067 0.093 18053 6268 1 10 . 1 1 61 61 GLU N N 491 121.009 121.009 122.351 -1.342 18053 6269 1 10 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.326 -0.003 18053 6270 1 10 . 1 1 61 61 GLU C C 491 175.725 175.725 175.497 0.228 18053 6271 1 10 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.577 0.619 18053 6272 1 10 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.118 1.747 18053 6273 1 10 . 1 1 61 61 GLU H H 491 8.320 8.320 8.223 0.097 18053 6274 1 10 . 1 1 62 62 GLU N N 492 123.426 123.426 124.934 -1.508 18053 6275 1 10 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.506 -0.452 18053 6276 1 10 . 1 1 62 62 GLU C C 492 175.930 175.930 176.312 -0.382 18053 6277 1 10 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.728 0.922 18053 6278 1 10 . 1 1 62 62 GLU CB C 492 32.312 32.312 31.539 0.773 18053 6279 1 10 . 1 1 62 62 GLU H H 492 8.594 8.594 8.441 0.153 18053 6280 1 10 . 1 1 63 63 ILE N N 493 119.732 119.732 117.441 2.291 18053 6281 1 10 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.758 0.030 18053 6282 1 10 . 1 1 63 63 ILE C C 493 174.647 174.647 174.123 0.524 18053 6283 1 10 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.249 0.932 18053 6284 1 10 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.629 -0.446 18053 6285 1 10 . 1 1 63 63 ILE H H 493 8.523 8.523 8.314 0.209 18053 6286 1 10 . 1 1 64 64 ALA N N 494 122.166 122.166 124.592 -2.426 18053 6287 1 10 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.194 0.328 18053 6288 1 10 . 1 1 64 64 ALA C C 494 174.606 174.606 176.238 -1.632 18053 6289 1 10 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.957 0.571 18053 6290 1 10 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.642 1.597 18053 6291 1 10 . 1 1 64 64 ALA H H 494 8.741 8.741 8.431 0.310 18053 6292 1 10 . 1 1 65 65 TYR N N 495 126.729 126.729 127.535 -0.806 18053 6293 1 10 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.628 -0.534 18053 6294 1 10 . 1 1 65 65 TYR C C 495 173.036 173.036 173.670 -0.634 18053 6295 1 10 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.038 0.867 18053 6296 1 10 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.636 1.633 18053 6297 1 10 . 1 1 65 65 TYR H H 495 8.462 8.462 8.403 0.059 18053 6298 1 10 . 1 1 66 66 LYS N N 496 128.108 128.108 127.095 1.013 18053 6299 1 10 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.415 0.407 18053 6300 1 10 . 1 1 66 66 LYS C C 496 174.906 174.906 174.936 -0.030 18053 6301 1 10 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.845 -1.106 18053 6302 1 10 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.154 1.628 18053 6303 1 10 . 1 1 66 66 LYS H H 496 7.010 7.010 7.284 -0.274 18053 6304 1 10 . 1 1 67 67 PHE N N 497 125.299 125.299 121.221 4.078 18053 6305 1 10 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.138 -0.206 18053 6306 1 10 . 1 1 67 67 PHE C C 497 177.990 177.990 175.781 2.209 18053 6307 1 10 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.745 1.262 18053 6308 1 10 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.308 0.673 18053 6309 1 10 . 1 1 67 67 PHE H H 497 8.509 8.509 8.170 0.339 18053 6310 1 10 . 1 1 68 68 THR N N 498 116.191 116.191 111.933 4.258 18053 6311 1 10 . 1 1 68 68 THR HA H 498 4.417 4.417 4.655 -0.238 18053 6312 1 10 . 1 1 68 68 THR CA C 498 60.855 60.855 59.166 1.689 18053 6313 1 10 . 1 1 68 68 THR CB C 498 68.019 68.019 69.530 -1.511 18053 6314 1 10 . 1 1 68 68 THR H H 498 8.688 8.688 8.445 0.243 18053 6315 1 10 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.495 -0.547 18053 6316 1 10 . 1 1 69 69 PRO C C 499 177.444 177.444 176.913 0.531 18053 6317 1 10 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.712 1.365 18053 6318 1 10 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.882 0.894 18053 6319 1 10 . 1 1 70 70 LYS N N 500 113.552 113.552 116.364 -2.812 18053 6320 1 10 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.246 0.139 18053 6321 1 10 . 1 1 70 70 LYS C C 500 176.325 176.325 176.173 0.152 18053 6322 1 10 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.454 -1.459 18053 6323 1 10 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.694 0.099 18053 6324 1 10 . 1 1 70 70 LYS H H 500 8.016 8.016 7.882 0.134 18053 6325 1 10 . 1 1 71 71 TYR N N 501 121.860 121.860 121.266 0.594 18053 6326 1 10 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.584 -0.854 18053 6327 1 10 . 1 1 71 71 TYR C C 501 174.838 174.838 173.578 1.260 18053 6328 1 10 . 1 1 71 71 TYR CA C 501 62.310 62.310 57.947 4.363 18053 6329 1 10 . 1 1 71 71 TYR CB C 501 38.781 38.781 40.335 -1.554 18053 6330 1 10 . 1 1 71 71 TYR H H 501 7.460 7.460 7.775 -0.315 18053 6331 1 10 . 1 1 72 72 ILE N N 502 129.487 129.487 126.001 3.486 18053 6332 1 10 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.155 -0.227 18053 6333 1 10 . 1 1 72 72 ILE C C 502 172.968 172.968 173.196 -0.228 18053 6334 1 10 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.460 -0.152 18053 6335 1 10 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.072 -0.162 18053 6336 1 10 . 1 1 72 72 ILE H H 502 7.168 7.168 8.080 -0.912 18053 6337 1 10 . 1 1 73 73 LEU N N 503 128.278 128.278 127.214 1.064 18053 6338 1 10 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.508 -0.015 18053 6339 1 10 . 1 1 73 73 LEU C C 503 175.834 175.834 174.920 0.914 18053 6340 1 10 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.992 -1.027 18053 6341 1 10 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.702 -1.154 18053 6342 1 10 . 1 1 73 73 LEU H H 503 8.483 8.483 8.137 0.346 18053 6343 1 10 . 1 1 74 74 ARG N N 504 129.589 129.589 125.766 3.823 18053 6344 1 10 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.246 -0.503 18053 6345 1 10 . 1 1 74 74 ARG C C 504 175.233 175.233 175.291 -0.058 18053 6346 1 10 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.146 1.705 18053 6347 1 10 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.976 -0.684 18053 6348 1 10 . 1 1 74 74 ARG H H 504 8.673 8.673 8.400 0.273 18053 6349 1 10 . 1 1 75 75 ALA N N 505 123.205 123.205 124.174 -0.969 18053 6350 1 10 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.432 -0.910 18053 6351 1 10 . 1 1 75 75 ALA C C 505 178.441 178.441 178.371 0.070 18053 6352 1 10 . 1 1 75 75 ALA CA C 505 53.794 53.794 52.102 1.692 18053 6353 1 10 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.784 0.126 18053 6354 1 10 . 1 1 75 75 ALA H H 505 8.564 8.564 8.313 0.251 18053 6355 1 10 . 1 1 76 76 GLY N N 506 112.241 112.241 111.410 0.831 18053 6356 1 10 . 1 1 76 76 GLY C C 506 174.278 174.278 174.600 -0.322 18053 6357 1 10 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.575 1.150 18053 6358 1 10 . 1 1 76 76 GLY H H 506 7.381 7.381 8.723 -1.342 18053 6359 1 10 . 1 1 77 77 GLN N N 507 117.382 117.382 119.410 -2.028 18053 6360 1 10 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.715 -0.351 18053 6361 1 10 . 1 1 77 77 GLN C C 507 173.937 173.937 174.766 -0.829 18053 6362 1 10 . 1 1 77 77 GLN CA C 507 54.558 54.558 53.888 0.670 18053 6363 1 10 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.803 -0.730 18053 6364 1 10 . 1 1 77 77 GLN H H 507 7.996 7.996 7.566 0.430 18053 6365 1 10 . 1 1 78 78 MET N N 508 116.957 116.957 115.649 1.308 18053 6366 1 10 . 1 1 78 78 MET HA H 508 5.388 5.388 5.049 0.339 18053 6367 1 10 . 1 1 78 78 MET C C 508 175.807 175.807 174.196 1.611 18053 6368 1 10 . 1 1 78 78 MET CA C 508 54.067 54.067 54.536 -0.469 18053 6369 1 10 . 1 1 78 78 MET CB C 508 37.198 37.198 36.392 0.806 18053 6370 1 10 . 1 1 78 78 MET H H 508 8.092 8.092 8.315 -0.223 18053 6371 1 10 . 1 1 79 79 VAL N N 509 119.340 119.340 121.694 -2.354 18053 6372 1 10 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.760 0.196 18053 6373 1 10 . 1 1 79 79 VAL C C 509 172.217 172.217 174.574 -2.357 18053 6374 1 10 . 1 1 79 79 VAL CA C 509 59.471 59.471 59.816 -0.345 18053 6375 1 10 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.875 -1.199 18053 6376 1 10 . 1 1 79 79 VAL H H 509 8.534 8.534 8.332 0.202 18053 6377 1 10 . 1 1 80 80 THR N N 510 124.533 124.533 125.061 -0.528 18053 6378 1 10 . 1 1 80 80 THR HA H 510 4.586 4.586 4.655 -0.069 18053 6379 1 10 . 1 1 80 80 THR C C 510 172.215 172.215 174.219 -2.004 18053 6380 1 10 . 1 1 80 80 THR CA C 510 62.119 62.119 61.744 0.375 18053 6381 1 10 . 1 1 80 80 THR CB C 510 69.407 69.407 68.577 0.830 18053 6382 1 10 . 1 1 80 80 THR H H 510 8.301 8.301 8.752 -0.451 18053 6383 1 10 . 1 1 81 81 VAL N N 511 127.002 127.002 128.754 -1.752 18053 6384 1 10 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.525 0.071 18053 6385 1 10 . 1 1 81 81 VAL C C 511 176.667 176.667 175.526 1.141 18053 6386 1 10 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.011 -0.629 18053 6387 1 10 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.187 -0.242 18053 6388 1 10 . 1 1 81 81 VAL H H 511 8.796 8.796 8.642 0.154 18053 6389 1 10 . 1 1 82 82 TRP N N 512 131.479 131.479 129.376 2.103 18053 6390 1 10 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.135 0.203 18053 6391 1 10 . 1 1 82 82 TRP C C 512 176.885 176.885 175.411 1.474 18053 6392 1 10 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.165 -0.723 18053 6393 1 10 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.947 -1.246 18053 6394 1 10 . 1 1 82 82 TRP H H 512 9.924 9.924 8.463 1.461 18053 6395 1 10 . 1 1 83 83 ALA N N 513 123.954 123.954 120.537 3.417 18053 6396 1 10 . 1 1 83 83 ALA HA H 513 4.308 4.308 5.159 -0.851 18053 6397 1 10 . 1 1 83 83 ALA C C 513 178.140 178.140 178.109 0.031 18053 6398 1 10 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.463 1.748 18053 6399 1 10 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.816 -2.071 18053 6400 1 10 . 1 1 83 83 ALA H H 513 9.048 9.048 8.566 0.482 18053 6401 1 10 . 1 1 84 84 ALA N N 514 125.146 125.146 125.127 0.019 18053 6402 1 10 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.249 -0.298 18053 6403 1 10 . 1 1 84 84 ALA C C 514 179.519 179.519 179.537 -0.018 18053 6404 1 10 . 1 1 84 84 ALA CA C 514 54.804 54.804 55.020 -0.216 18053 6405 1 10 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.201 -0.619 18053 6406 1 10 . 1 1 84 84 ALA H H 514 8.341 8.341 8.383 -0.042 18053 6407 1 10 . 1 1 85 85 GLY N N 515 103.388 103.388 105.254 -1.866 18053 6408 1 10 . 1 1 85 85 GLY C C 515 174.674 174.674 174.647 0.027 18053 6409 1 10 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.234 0.644 18053 6410 1 10 . 1 1 85 85 GLY H H 515 7.996 7.996 8.112 -0.116 18053 6411 1 10 . 1 1 86 86 ALA N N 516 120.140 120.140 123.178 -3.038 18053 6412 1 10 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.561 -0.217 18053 6413 1 10 . 1 1 86 86 ALA C C 516 177.690 177.690 177.481 0.209 18053 6414 1 10 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.644 1.495 18053 6415 1 10 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.121 1.426 18053 6416 1 10 . 1 1 86 86 ALA H H 516 7.474 7.474 7.482 -0.008 18053 6417 1 10 . 1 1 87 87 GLY N N 517 105.720 105.720 108.315 -2.595 18053 6418 1 10 . 1 1 87 87 GLY C C 517 173.650 173.650 173.886 -0.236 18053 6419 1 10 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.299 0.715 18053 6420 1 10 . 1 1 87 87 GLY H H 517 7.779 7.779 8.021 -0.242 18053 6421 1 10 . 1 1 88 88 VAL N N 518 121.537 121.537 119.581 1.956 18053 6422 1 10 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.238 -0.653 18053 6423 1 10 . 1 1 88 88 VAL C C 518 174.851 174.851 173.634 1.217 18053 6424 1 10 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.007 0.267 18053 6425 1 10 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.921 -0.545 18053 6426 1 10 . 1 1 88 88 VAL H H 518 7.499 7.499 7.527 -0.028 18053 6427 1 10 . 1 1 89 89 ALA N N 519 128.295 128.295 129.687 -1.392 18053 6428 1 10 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.584 -0.392 18053 6429 1 10 . 1 1 89 89 ALA C C 519 176.680 176.680 176.411 0.269 18053 6430 1 10 . 1 1 89 89 ALA CA C 519 51.283 51.283 50.682 0.601 18053 6431 1 10 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.978 -0.686 18053 6432 1 10 . 1 1 89 89 ALA H H 519 7.960 7.960 8.128 -0.168 18053 6433 1 10 . 1 1 90 90 HIS N N 520 122.643 122.643 122.100 0.543 18053 6434 1 10 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.462 -0.429 18053 6435 1 10 . 1 1 90 90 HIS C C 520 175.793 175.793 174.487 1.306 18053 6436 1 10 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.536 2.116 18053 6437 1 10 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.517 2.768 18053 6438 1 10 . 1 1 90 90 HIS H H 520 8.394 8.394 8.807 -0.413 18053 6439 1 10 . 1 1 91 91 SER N N 521 121.247 121.247 123.724 -2.477 18053 6440 1 10 . 1 1 91 91 SER HA H 521 4.629 4.629 4.721 -0.092 18053 6441 1 10 . 1 1 91 91 SER CA C 521 55.843 55.843 55.941 -0.098 18053 6442 1 10 . 1 1 91 91 SER CB C 521 62.367 62.367 63.636 -1.269 18053 6443 1 10 . 1 1 91 91 SER H H 521 8.569 8.569 8.388 0.181 18053 6444 1 10 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.891 -0.889 18053 6445 1 10 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.282 -0.038 18053 6446 1 10 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.535 -0.604 18053 6447 1 10 . 1 1 93 93 PRO HA H 523 4.672 4.672 5.038 -0.366 18053 6448 1 10 . 1 1 93 93 PRO C C 523 177.786 177.786 177.654 0.132 18053 6449 1 10 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.674 0.329 18053 6450 1 10 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.685 2.220 18053 6451 1 10 . 1 1 94 94 SER N N 524 117.212 117.212 116.691 0.521 18053 6452 1 10 . 1 1 94 94 SER HA H 524 4.678 4.678 4.594 0.084 18053 6453 1 10 . 1 1 94 94 SER C C 524 174.851 174.851 174.333 0.518 18053 6454 1 10 . 1 1 94 94 SER CA C 524 61.874 61.874 60.165 1.709 18053 6455 1 10 . 1 1 94 94 SER CB C 524 64.057 64.057 64.281 -0.224 18053 6456 1 10 . 1 1 94 94 SER H H 524 8.463 8.463 8.059 0.404 18053 6457 1 10 . 1 1 95 95 THR N N 525 121.588 121.588 118.741 2.847 18053 6458 1 10 . 1 1 95 95 THR HA H 525 4.859 4.859 5.126 -0.267 18053 6459 1 10 . 1 1 95 95 THR C C 525 172.094 172.094 172.637 -0.543 18053 6460 1 10 . 1 1 95 95 THR CA C 525 62.309 62.309 61.894 0.415 18053 6461 1 10 . 1 1 95 95 THR CB C 525 70.281 70.281 70.607 -0.326 18053 6462 1 10 . 1 1 95 95 THR H H 525 7.631 7.631 7.916 -0.285 18053 6463 1 10 . 1 1 96 96 LEU N N 526 127.274 127.274 129.851 -2.577 18053 6464 1 10 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.057 0.074 18053 6465 1 10 . 1 1 96 96 LEU C C 526 175.916 175.916 176.032 -0.116 18053 6466 1 10 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.775 -1.700 18053 6467 1 10 . 1 1 96 96 LEU CB C 526 43.790 43.790 42.978 0.812 18053 6468 1 10 . 1 1 96 96 LEU H H 526 8.977 8.977 8.393 0.584 18053 6469 1 10 . 1 1 97 97 VAL N N 527 124.056 124.056 124.696 -0.640 18053 6470 1 10 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.396 0.473 18053 6471 1 10 . 1 1 97 97 VAL C C 527 176.230 176.230 175.832 0.398 18053 6472 1 10 . 1 1 97 97 VAL CA C 527 61.519 61.519 62.105 -0.586 18053 6473 1 10 . 1 1 97 97 VAL CB C 527 33.704 33.704 32.679 1.025 18053 6474 1 10 . 1 1 97 97 VAL H H 527 10.724 10.724 8.653 2.071 18053 6475 1 10 . 1 1 98 98 TRP N N 528 132.586 132.586 131.870 0.716 18053 6476 1 10 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.459 0.506 18053 6477 1 10 . 1 1 98 98 TRP C C 528 173.391 173.391 174.806 -1.415 18053 6478 1 10 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.049 -1.746 18053 6479 1 10 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.033 0.212 18053 6480 1 10 . 1 1 98 98 TRP H H 528 9.400 9.400 9.182 0.218 18053 6481 1 10 . 1 1 99 99 LYS N N 529 126.644 126.644 128.307 -1.663 18053 6482 1 10 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.159 -0.320 18053 6483 1 10 . 1 1 99 99 LYS C C 529 177.581 177.581 177.117 0.464 18053 6484 1 10 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.592 0.951 18053 6485 1 10 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.295 -0.119 18053 6486 1 10 . 1 1 99 99 LYS H H 529 8.153 8.153 8.065 0.088 18053 6487 1 10 . 1 1 100 100 GLY N N 530 110.385 110.385 113.656 -3.271 18053 6488 1 10 . 1 1 100 100 GLY C C 530 172.367 172.367 173.857 -1.490 18053 6489 1 10 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.725 0.553 18053 6490 1 10 . 1 1 100 100 GLY H H 530 8.363 8.363 8.540 -0.177 18053 6491 1 10 . 1 1 101 101 GLN N N 531 121.162 121.162 123.518 -2.356 18053 6492 1 10 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.140 -0.168 18053 6493 1 10 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.455 -1.835 18053 6494 1 10 . 1 1 101 101 GLN CB C 531 27.595 27.595 27.719 -0.124 18053 6495 1 10 . 1 1 101 101 GLN H H 531 6.815 6.815 7.410 -0.595 18053 6496 1 10 . 1 1 102 102 SER N N 532 122.728 122.728 121.978 0.750 18053 6497 1 10 . 1 1 102 102 SER HA H 532 3.866 3.866 4.368 -0.502 18053 6498 1 10 . 1 1 102 102 SER C C 532 174.537 174.537 175.772 -1.235 18053 6499 1 10 . 1 1 102 102 SER CA C 532 61.983 61.983 60.779 1.204 18053 6500 1 10 . 1 1 102 102 SER CB C 532 62.802 62.802 63.217 -0.415 18053 6501 1 10 . 1 1 102 102 SER H H 532 8.662 8.662 8.660 0.002 18053 6502 1 10 . 1 1 103 103 SER N N 533 110.811 110.811 114.426 -3.615 18053 6503 1 10 . 1 1 103 103 SER HA H 533 4.240 4.240 4.565 -0.325 18053 6504 1 10 . 1 1 103 103 SER C C 533 174.087 174.087 173.610 0.477 18053 6505 1 10 . 1 1 103 103 SER CA C 533 56.633 56.633 58.964 -2.331 18053 6506 1 10 . 1 1 103 103 SER CB C 533 64.658 64.658 64.045 0.613 18053 6507 1 10 . 1 1 103 103 SER H H 533 7.134 7.134 7.584 -0.450 18053 6508 1 10 . 1 1 104 104 TRP N N 534 126.133 126.133 119.571 6.562 18053 6509 1 10 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.095 0.003 18053 6510 1 10 . 1 1 104 104 TRP C C 534 176.066 176.066 175.238 0.828 18053 6511 1 10 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.256 1.871 18053 6512 1 10 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.679 0.085 18053 6513 1 10 . 1 1 104 104 TRP H H 534 9.764 9.764 7.452 2.312 18053 6514 1 10 . 1 1 105 105 GLY N N 535 105.907 105.907 104.906 1.001 18053 6515 1 10 . 1 1 105 105 GLY C C 535 172.217 172.217 174.193 -1.976 18053 6516 1 10 . 1 1 105 105 GLY CA C 535 44.240 44.240 45.053 -0.813 18053 6517 1 10 . 1 1 105 105 GLY H H 535 8.095 8.095 7.578 0.517 18053 6518 1 10 . 1 1 106 106 THR N N 536 111.253 111.253 112.218 -0.965 18053 6519 1 10 . 1 1 106 106 THR HA H 536 3.859 3.859 4.289 -0.430 18053 6520 1 10 . 1 1 106 106 THR C C 536 172.872 172.872 174.432 -1.560 18053 6521 1 10 . 1 1 106 106 THR CA C 536 59.635 59.635 62.182 -2.547 18053 6522 1 10 . 1 1 106 106 THR CB C 536 70.526 70.526 69.506 1.020 18053 6523 1 10 . 1 1 106 106 THR H H 536 7.913 7.913 7.728 0.185 18053 6524 1 10 . 1 1 107 107 GLY N N 537 107.712 107.712 108.846 -1.134 18053 6525 1 10 . 1 1 107 107 GLY C C 537 172.709 172.709 172.929 -0.220 18053 6526 1 10 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.181 -0.015 18053 6527 1 10 . 1 1 107 107 GLY H H 537 7.533 7.533 7.732 -0.199 18053 6528 1 10 . 1 1 108 108 GLU N N 538 118.864 118.864 119.980 -1.116 18053 6529 1 10 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.289 -0.153 18053 6530 1 10 . 1 1 108 108 GLU C C 538 176.353 176.353 175.234 1.119 18053 6531 1 10 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.831 0.521 18053 6532 1 10 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.550 -0.394 18053 6533 1 10 . 1 1 108 108 GLU H H 538 8.558 8.558 8.886 -0.328 18053 6534 1 10 . 1 1 109 109 SER N N 539 110.419 110.419 112.375 -1.956 18053 6535 1 10 . 1 1 109 109 SER HA H 539 4.963 4.963 5.092 -0.129 18053 6536 1 10 . 1 1 109 109 SER C C 539 173.787 173.787 172.996 0.791 18053 6537 1 10 . 1 1 109 109 SER CA C 539 57.125 57.125 57.341 -0.216 18053 6538 1 10 . 1 1 109 109 SER CB C 539 64.439 64.439 65.271 -0.832 18053 6539 1 10 . 1 1 109 109 SER H H 539 7.620 7.620 7.845 -0.225 18053 6540 1 10 . 1 1 110 110 PHE N N 540 118.778 118.778 119.454 -0.676 18053 6541 1 10 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.253 -0.172 18053 6542 1 10 . 1 1 110 110 PHE C C 540 176.052 176.052 173.667 2.385 18053 6543 1 10 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.370 0.419 18053 6544 1 10 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.129 -1.369 18053 6545 1 10 . 1 1 110 110 PHE H H 540 8.318 8.318 8.483 -0.165 18053 6546 1 10 . 1 1 112 112 THR HA H 542 5.468 5.468 5.200 0.268 18053 6547 1 10 . 1 1 112 112 THR C C 542 172.381 172.381 173.545 -1.164 18053 6548 1 10 . 1 1 112 112 THR CA C 542 61.818 61.818 62.111 -0.293 18053 6549 1 10 . 1 1 112 112 THR CB C 542 70.990 70.990 70.214 0.776 18053 6550 1 10 . 1 1 113 113 VAL N N 543 124.771 124.771 128.154 -3.383 18053 6551 1 10 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.547 0.317 18053 6552 1 10 . 1 1 113 113 VAL C C 543 173.132 173.132 174.159 -1.027 18053 6553 1 10 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.990 -0.891 18053 6554 1 10 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.993 2.440 18053 6555 1 10 . 1 1 113 113 VAL H H 543 9.380 9.380 8.972 0.408 18053 6556 1 10 . 1 1 114 114 LEU N N 544 128.789 128.789 130.331 -1.542 18053 6557 1 10 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.646 0.674 18053 6558 1 10 . 1 1 114 114 LEU C C 544 174.237 174.237 174.695 -0.458 18053 6559 1 10 . 1 1 114 114 LEU CA C 544 53.193 53.193 54.666 -1.473 18053 6560 1 10 . 1 1 114 114 LEU CB C 544 45.879 45.879 42.871 3.008 18053 6561 1 10 . 1 1 114 114 LEU H H 544 8.948 8.948 8.401 0.547 18053 6562 1 10 . 1 1 115 115 VAL N N 545 127.002 127.002 126.478 0.524 18053 6563 1 10 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.363 0.491 18053 6564 1 10 . 1 1 115 115 VAL C C 545 175.206 175.206 174.098 1.108 18053 6565 1 10 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.557 -1.223 18053 6566 1 10 . 1 1 115 115 VAL CB C 545 34.495 34.495 35.298 -0.803 18053 6567 1 10 . 1 1 115 115 VAL H H 545 9.564 9.564 8.786 0.778 18053 6568 1 10 . 1 1 116 116 ASN N N 546 121.179 121.179 123.453 -2.274 18053 6569 1 10 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.608 -0.711 18053 6570 1 10 . 1 1 116 116 ASN C C 546 176.885 176.885 176.268 0.617 18053 6571 1 10 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.303 -0.894 18053 6572 1 10 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.910 -3.271 18053 6573 1 10 . 1 1 116 116 ASN H H 546 8.016 8.016 8.052 -0.036 18053 6574 1 10 . 1 1 117 117 ALA N N 547 119.834 119.834 125.541 -5.707 18053 6575 1 10 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.030 -0.164 18053 6576 1 10 . 1 1 117 117 ALA C C 547 177.772 177.772 179.042 -1.270 18053 6577 1 10 . 1 1 117 117 ALA CA C 547 54.504 54.504 55.353 -0.849 18053 6578 1 10 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.649 -0.449 18053 6579 1 10 . 1 1 117 117 ALA H H 547 6.444 6.444 8.598 -2.154 18053 6580 1 10 . 1 1 118 118 ASP N N 548 115.646 115.646 116.386 -0.740 18053 6581 1 10 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.354 0.290 18053 6582 1 10 . 1 1 118 118 ASP C C 548 176.052 176.052 177.621 -1.569 18053 6583 1 10 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.618 -1.551 18053 6584 1 10 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.077 0.597 18053 6585 1 10 . 1 1 118 118 ASP H H 548 7.181 7.181 8.287 -1.106 18053 6586 1 10 . 1 1 119 119 GLY N N 549 107.167 107.167 106.527 0.640 18053 6587 1 10 . 1 1 119 119 GLY C C 549 173.841 173.841 173.218 0.623 18053 6588 1 10 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.932 0.523 18053 6589 1 10 . 1 1 119 119 GLY H H 549 7.738 7.738 7.769 -0.031 18053 6590 1 10 . 1 1 120 120 GLU N N 550 121.196 121.196 120.598 0.598 18053 6591 1 10 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.198 -0.086 18053 6592 1 10 . 1 1 120 120 GLU C C 550 175.588 175.588 175.771 -0.183 18053 6593 1 10 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.958 -1.127 18053 6594 1 10 . 1 1 120 120 GLU CB C 550 29.937 29.937 29.410 0.527 18053 6595 1 10 . 1 1 120 120 GLU H H 550 7.587 7.587 8.303 -0.716 18053 6596 1 10 . 1 1 121 121 GLU N N 551 123.886 123.886 125.800 -1.914 18053 6597 1 10 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.110 0.166 18053 6598 1 10 . 1 1 121 121 GLU C C 551 176.817 176.817 176.561 0.256 18053 6599 1 10 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.781 0.015 18053 6600 1 10 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.608 -0.653 18053 6601 1 10 . 1 1 121 121 GLU H H 551 8.697 8.697 8.706 -0.009 18053 6602 1 10 . 1 1 122 122 VAL N N 552 120.055 120.055 119.433 0.622 18053 6603 1 10 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.186 0.178 18053 6604 1 10 . 1 1 122 122 VAL C C 552 175.998 175.998 175.254 0.744 18053 6605 1 10 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.248 -0.593 18053 6606 1 10 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.672 0.377 18053 6607 1 10 . 1 1 122 122 VAL H H 552 8.845 8.845 8.112 0.733 18053 6608 1 10 . 1 1 123 123 ALA N N 553 122.098 122.098 121.931 0.167 18053 6609 1 10 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.690 0.200 18053 6610 1 10 . 1 1 123 123 ALA C C 553 175.261 175.261 175.172 0.089 18053 6611 1 10 . 1 1 123 123 ALA CA C 553 52.757 52.757 52.198 0.559 18053 6612 1 10 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.764 0.503 18053 6613 1 10 . 1 1 123 123 ALA H H 553 7.788 7.788 7.811 -0.023 18053 6614 1 10 . 1 1 124 124 MET N N 554 118.217 118.217 117.979 0.238 18053 6615 1 10 . 1 1 124 124 MET HA H 554 5.286 5.286 5.245 0.041 18053 6616 1 10 . 1 1 124 124 MET C C 554 174.428 174.428 174.323 0.105 18053 6617 1 10 . 1 1 124 124 MET CA C 554 55.104 55.104 54.267 0.837 18053 6618 1 10 . 1 1 124 124 MET CB C 554 35.342 35.342 36.279 -0.937 18053 6619 1 10 . 1 1 124 124 MET H H 554 8.693 8.693 8.468 0.225 18053 6620 1 10 . 1 1 125 125 ARG N N 555 122.132 122.132 121.080 1.052 18053 6621 1 10 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.626 0.274 18053 6622 1 10 . 1 1 125 125 ARG CA C 555 56.388 56.388 56.234 0.154 18053 6623 1 10 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.552 0.826 18053 6624 1 10 . 1 1 125 125 ARG H H 555 8.919 8.919 9.052 -0.133 18053 6625 1 10 . 1 1 126 126 THR HA H 556 4.685 4.685 4.461 0.224 18053 6626 1 10 . 1 1 126 126 THR C C 556 172.436 172.436 173.995 -1.559 18053 6627 1 10 . 1 1 126 126 THR CA C 556 61.382 61.382 62.952 -1.570 18053 6628 1 10 . 1 1 126 126 THR CB C 556 70.444 70.444 69.376 1.068 18053 6629 1 10 . 1 1 127 127 VAL N N 557 124.976 124.976 125.866 -0.890 18053 6630 1 10 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.149 -0.003 18053 6631 1 10 . 1 1 127 127 VAL C C 557 173.937 173.937 173.936 0.001 18053 6632 1 10 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.249 0.860 18053 6633 1 10 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.599 0.161 18053 6634 1 10 . 1 1 127 127 VAL H H 557 8.127 8.127 8.565 -0.438 18053 6635 1 10 . 1 1 128 128 LYS N N 558 125.384 125.384 123.321 2.063 18053 6636 1 10 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.768 -0.062 18053 6637 1 10 . 1 1 128 128 LYS C C 558 175.534 175.534 175.692 -0.158 18053 6638 1 10 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.821 1.065 18053 6639 1 10 . 1 1 128 128 LYS CB C 558 34.673 34.673 32.909 1.764 18053 6640 1 10 . 1 1 128 128 LYS H H 558 8.289 8.289 8.273 0.016 18053 6641 1 10 . 1 1 129 129 LYS N N 559 124.005 124.005 128.709 -4.704 18053 6642 1 10 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.037 0.273 18053 6643 1 10 . 1 1 129 129 LYS C C 559 176.571 176.571 175.764 0.807 18053 6644 1 10 . 1 1 129 129 LYS CA C 559 56.742 56.742 58.230 -1.488 18053 6645 1 10 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.996 1.366 18053 6646 1 10 . 1 1 129 129 LYS H H 559 8.461 8.461 8.479 -0.018 18053 6647 1 10 . 1 1 130 130 SER N N 560 117.195 117.195 119.280 -2.085 18053 6648 1 10 . 1 1 130 130 SER HA H 560 4.384 4.384 4.551 -0.167 18053 6649 1 10 . 1 1 130 130 SER C C 560 174.565 174.565 175.047 -0.482 18053 6650 1 10 . 1 1 130 130 SER CA C 560 58.434 58.434 58.227 0.207 18053 6651 1 10 . 1 1 130 130 SER CB C 560 63.812 63.812 63.720 0.092 18053 6652 1 10 . 1 1 130 130 SER H H 560 8.465 8.465 8.543 -0.078 18053 6653 1 10 . 1 1 131 131 SER N N 561 118.149 118.149 120.978 -2.829 18053 6654 1 10 . 1 1 131 131 SER HA H 561 4.412 4.412 4.407 0.005 18053 6655 1 10 . 1 1 131 131 SER C C 561 174.456 174.456 173.912 0.544 18053 6656 1 10 . 1 1 131 131 SER CA C 561 58.489 58.489 59.617 -1.128 18053 6657 1 10 . 1 1 131 131 SER CB C 561 63.811 63.811 63.883 -0.072 18053 6658 1 10 . 1 1 131 131 SER H H 561 8.336 8.336 8.368 -0.032 18053 6659 1 10 . 1 1 132 132 VAL N N 562 121.332 121.332 125.118 -3.786 18053 6660 1 10 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.318 -0.283 18053 6661 1 10 . 1 1 132 132 VAL C C 562 176.066 176.066 174.547 1.519 18053 6662 1 10 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.911 -0.465 18053 6663 1 10 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.172 0.222 18053 6664 1 10 . 1 1 132 132 VAL H H 562 7.982 7.982 8.464 -0.482 18053 6665 1 10 . 1 1 133 133 MET N N 563 124.022 124.022 124.495 -0.473 18053 6666 1 10 . 1 1 133 133 MET HA H 563 4.385 4.385 4.883 -0.498 18053 6667 1 10 . 1 1 133 133 MET C C 563 176.039 176.039 175.834 0.205 18053 6668 1 10 . 1 1 133 133 MET CA C 563 55.350 55.350 54.375 0.975 18053 6669 1 10 . 1 1 133 133 MET CB C 563 32.503 32.503 34.521 -2.018 18053 6670 1 10 . 1 1 133 133 MET H H 563 8.295 8.295 7.993 0.302 18053 6671 1 10 . 1 1 134 134 ARG N N 564 122.677 122.677 121.989 0.688 18053 6672 1 10 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.433 -0.171 18053 6673 1 10 . 1 1 134 134 ARG C C 564 176.298 176.298 176.020 0.278 18053 6674 1 10 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.702 0.385 18053 6675 1 10 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.610 0.092 18053 6676 1 10 . 1 1 134 134 ARG H H 564 8.295 8.295 8.359 -0.064 18053 6677 1 10 . 1 1 135 135 GLU N N 565 121.945 121.945 122.126 -0.181 18053 6678 1 10 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.366 -0.206 18053 6679 1 10 . 1 1 135 135 GLU C C 565 176.080 176.080 176.344 -0.264 18053 6680 1 10 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.347 0.559 18053 6681 1 10 . 1 1 135 135 GLU CB C 565 29.774 29.774 30.170 -0.396 18053 6682 1 10 . 1 1 135 135 GLU H H 565 8.470 8.470 8.498 -0.028 18053 6683 1 10 . 1 1 136 136 ASN N N 566 118.761 118.761 124.186 -5.425 18053 6684 1 10 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.778 -0.161 18053 6685 1 10 . 1 1 136 136 ASN C C 566 175.315 175.315 175.477 -0.162 18053 6686 1 10 . 1 1 136 136 ASN CA C 566 53.193 53.193 52.231 0.962 18053 6687 1 10 . 1 1 136 136 ASN CB C 566 38.836 38.836 37.906 0.930 18053 6688 1 10 . 1 1 136 136 ASN H H 566 8.341 8.341 8.751 -0.410 18053 6689 1 10 . 1 1 137 137 GLU N N 567 121.349 121.349 120.864 0.485 18053 6690 1 10 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.187 -0.035 18053 6691 1 10 . 1 1 137 137 GLU C C 567 176.243 176.243 176.639 -0.396 18053 6692 1 10 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.249 -0.343 18053 6693 1 10 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.934 0.058 18053 6694 1 10 . 1 1 137 137 GLU H H 567 8.349 8.349 7.924 0.425 18053 6695 1 10 . 1 1 138 138 ASN N N 568 118.761 118.761 117.821 0.940 18053 6696 1 10 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.452 0.260 18053 6697 1 10 . 1 1 138 138 ASN C C 568 174.551 174.551 173.862 0.689 18053 6698 1 10 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.923 -0.730 18053 6699 1 10 . 1 1 138 138 ASN CB C 568 39.327 39.327 37.735 1.592 18053 6700 1 10 . 1 1 138 138 ASN H H 568 8.397 8.397 8.313 0.084 18053 6701 1 11 . 1 1 20 20 ALA N N 450 125.180 125.180 125.116 0.064 18053 6702 1 11 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.587 0.119 18053 6703 1 11 . 1 1 20 20 ALA C C 450 177.226 177.226 177.796 -0.570 18053 6704 1 11 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.578 1.179 18053 6705 1 11 . 1 1 20 20 ALA CB C 450 20.411 20.411 19.500 0.911 18053 6706 1 11 . 1 1 20 20 ALA H H 450 8.484 8.484 8.212 0.272 18053 6707 1 11 . 1 1 21 21 SER N N 451 115.714 115.714 119.857 -4.143 18053 6708 1 11 . 1 1 21 21 SER HA H 451 4.513 4.513 4.389 0.124 18053 6709 1 11 . 1 1 21 21 SER C C 451 174.742 174.742 175.861 -1.119 18053 6710 1 11 . 1 1 21 21 SER CA C 451 58.516 58.516 57.987 0.528 18053 6711 1 11 . 1 1 21 21 SER CB C 451 64.159 64.159 61.871 2.288 18053 6712 1 11 . 1 1 21 21 SER H H 451 8.487 8.487 8.571 -0.084 18053 6713 1 11 . 1 1 22 22 GLY N N 452 111.509 111.509 115.117 -3.608 18053 6714 1 11 . 1 1 22 22 GLY C C 452 174.401 174.401 174.996 -0.595 18053 6715 1 11 . 1 1 22 22 GLY CA C 452 45.059 45.059 46.002 -0.943 18053 6716 1 11 . 1 1 22 22 GLY H H 452 8.198 8.198 8.607 -0.409 18053 6717 1 11 . 1 1 23 23 SER N N 453 116.191 116.191 115.145 1.046 18053 6718 1 11 . 1 1 23 23 SER HA H 453 4.364 4.364 4.181 0.183 18053 6719 1 11 . 1 1 23 23 SER C C 453 173.432 173.432 173.160 0.272 18053 6720 1 11 . 1 1 23 23 SER CA C 453 59.744 59.744 59.920 -0.176 18053 6721 1 11 . 1 1 23 23 SER CB C 453 64.335 64.335 62.998 1.337 18053 6722 1 11 . 1 1 23 23 SER H H 453 8.494 8.494 8.349 0.145 18053 6723 1 11 . 1 1 24 24 VAL N N 454 121.656 121.656 118.720 2.936 18053 6724 1 11 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.388 0.647 18053 6725 1 11 . 1 1 24 24 VAL C C 454 174.606 174.606 174.991 -0.385 18053 6726 1 11 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.188 -0.133 18053 6727 1 11 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.620 -1.117 18053 6728 1 11 . 1 1 24 24 VAL H H 454 7.830 7.830 7.611 0.219 18053 6729 1 11 . 1 1 25 25 SER N N 455 119.323 119.323 120.568 -1.245 18053 6730 1 11 . 1 1 25 25 SER HA H 455 4.672 4.672 4.883 -0.211 18053 6731 1 11 . 1 1 25 25 SER C C 455 174.426 174.426 173.386 1.040 18053 6732 1 11 . 1 1 25 25 SER CA C 455 55.268 55.268 55.547 -0.279 18053 6733 1 11 . 1 1 25 25 SER CB C 455 65.162 65.162 65.701 -0.539 18053 6734 1 11 . 1 1 25 25 SER H H 455 9.065 9.065 8.752 0.313 18053 6735 1 11 . 1 1 26 26 ILE N N 456 119.468 119.468 121.957 -2.489 18053 6736 1 11 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.184 -0.004 18053 6737 1 11 . 1 1 26 26 ILE C C 456 175.506 175.506 175.128 0.378 18053 6738 1 11 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.327 0.001 18053 6739 1 11 . 1 1 26 26 ILE CB C 456 37.962 37.962 38.021 -0.059 18053 6740 1 11 . 1 1 26 26 ILE H H 456 8.295 8.295 8.544 -0.249 18053 6741 1 11 . 1 1 27 27 GLU N N 457 129.726 129.726 128.806 0.920 18053 6742 1 11 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.223 0.005 18053 6743 1 11 . 1 1 27 27 GLU C C 457 175.179 175.179 176.345 -1.166 18053 6744 1 11 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.050 -2.618 18053 6745 1 11 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.512 -0.370 18053 6746 1 11 . 1 1 27 27 GLU H H 457 8.393 8.393 8.484 -0.091 18053 6747 1 11 . 1 1 28 28 GLU N N 458 117.076 117.076 115.948 1.128 18053 6748 1 11 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.638 -0.470 18053 6749 1 11 . 1 1 28 28 GLU C C 458 174.701 174.701 174.559 0.142 18053 6750 1 11 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.243 1.663 18053 6751 1 11 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.038 -2.191 18053 6752 1 11 . 1 1 28 28 GLU H H 458 7.489 7.489 7.993 -0.504 18053 6753 1 11 . 1 1 29 29 ILE N N 459 122.183 122.183 119.834 2.349 18053 6754 1 11 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.075 -0.311 18053 6755 1 11 . 1 1 29 29 ILE C C 459 174.169 174.169 174.259 -0.090 18053 6756 1 11 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.730 -0.204 18053 6757 1 11 . 1 1 29 29 ILE CB C 459 40.309 40.309 40.817 -0.508 18053 6758 1 11 . 1 1 29 29 ILE H H 459 8.126 8.126 8.282 -0.156 18053 6759 1 11 . 1 1 30 30 ASP N N 460 123.205 123.205 124.757 -1.552 18053 6760 1 11 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.286 -0.103 18053 6761 1 11 . 1 1 30 30 ASP C C 460 178.318 178.318 177.124 1.194 18053 6762 1 11 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.210 0.720 18053 6763 1 11 . 1 1 30 30 ASP CB C 460 42.807 42.807 41.625 1.182 18053 6764 1 11 . 1 1 30 30 ASP H H 460 6.704 6.704 7.587 -0.883 18053 6765 1 11 . 1 1 31 31 LEU N N 461 128.551 128.551 123.411 5.140 18053 6766 1 11 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.308 -0.244 18053 6767 1 11 . 1 1 31 31 LEU C C 461 177.513 177.513 177.669 -0.156 18053 6768 1 11 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.254 0.870 18053 6769 1 11 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.244 -0.007 18053 6770 1 11 . 1 1 31 31 LEU H H 461 9.012 9.012 8.396 0.617 18053 6771 1 11 . 1 1 32 32 GLU N N 462 115.101 115.101 119.264 -4.163 18053 6772 1 11 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.278 0.005 18053 6773 1 11 . 1 1 32 32 GLU C C 462 177.062 177.062 177.012 0.050 18053 6774 1 11 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.213 -1.454 18053 6775 1 11 . 1 1 32 32 GLU CB C 462 29.569 29.569 29.932 -0.363 18053 6776 1 11 . 1 1 32 32 GLU H H 462 7.588 7.588 7.859 -0.271 18053 6777 1 11 . 1 1 33 33 GLY N N 463 106.299 106.299 106.271 0.028 18053 6778 1 11 . 1 1 33 33 GLY C C 463 174.824 174.824 175.781 -0.957 18053 6779 1 11 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.655 1.151 18053 6780 1 11 . 1 1 33 33 GLY H H 463 7.372 7.372 8.174 -0.802 18053 6781 1 11 . 1 1 34 34 LYS N N 464 118.744 118.744 118.512 0.232 18053 6782 1 11 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.545 0.017 18053 6783 1 11 . 1 1 34 34 LYS C C 464 177.076 177.076 174.799 2.277 18053 6784 1 11 . 1 1 34 34 LYS CA C 464 59.963 59.963 55.975 3.988 18053 6785 1 11 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.180 -0.069 18053 6786 1 11 . 1 1 34 34 LYS H H 464 9.547 9.547 8.355 1.192 18053 6787 1 11 . 1 1 35 35 PHE N N 465 109.125 109.125 112.699 -3.574 18053 6788 1 11 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.796 -0.282 18053 6789 1 11 . 1 1 35 35 PHE C C 465 174.183 174.183 172.998 1.185 18053 6790 1 11 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.579 1.053 18053 6791 1 11 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.675 -1.076 18053 6792 1 11 . 1 1 35 35 PHE H H 465 6.740 6.740 6.933 -0.193 18053 6793 1 11 . 1 1 36 36 VAL N N 466 119.579 119.579 120.083 -0.504 18053 6794 1 11 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.322 -0.613 18053 6795 1 11 . 1 1 36 36 VAL C C 466 172.668 172.668 174.489 -1.821 18053 6796 1 11 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.530 1.162 18053 6797 1 11 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.562 1.653 18053 6798 1 11 . 1 1 36 36 VAL H H 466 7.628 7.628 9.161 -1.533 18053 6799 1 11 . 1 1 37 37 GLN N N 467 126.831 126.831 127.800 -0.969 18053 6800 1 11 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.947 0.502 18053 6801 1 11 . 1 1 37 37 GLN C C 467 174.797 174.797 175.166 -0.369 18053 6802 1 11 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.709 -0.588 18053 6803 1 11 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.378 5.245 18053 6804 1 11 . 1 1 37 37 GLN H H 467 8.392 8.392 8.553 -0.161 18053 6805 1 11 . 1 1 38 38 LEU N N 468 123.018 123.018 129.088 -6.070 18053 6806 1 11 . 1 1 38 38 LEU HA H 468 5.422 5.422 4.702 0.720 18053 6807 1 11 . 1 1 38 38 LEU C C 468 175.588 175.588 175.511 0.077 18053 6808 1 11 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.234 -1.532 18053 6809 1 11 . 1 1 38 38 LEU CB C 468 45.046 45.046 43.712 1.334 18053 6810 1 11 . 1 1 38 38 LEU H H 468 9.103 9.103 8.849 0.254 18053 6811 1 11 . 1 1 39 39 LYS N N 469 118.983 118.983 121.997 -3.014 18053 6812 1 11 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.678 0.174 18053 6813 1 11 . 1 1 39 39 LYS C C 469 173.309 173.309 174.851 -1.542 18053 6814 1 11 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.216 0.778 18053 6815 1 11 . 1 1 39 39 LYS CB C 469 38.246 38.246 35.279 2.967 18053 6816 1 11 . 1 1 39 39 LYS H H 469 8.496 8.496 8.739 -0.243 18053 6817 1 11 . 1 1 40 40 ASN N N 470 121.758 121.758 123.958 -2.200 18053 6818 1 11 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.877 -0.089 18053 6819 1 11 . 1 1 40 40 ASN C C 470 174.496 174.496 175.175 -0.679 18053 6820 1 11 . 1 1 40 40 ASN CA C 470 51.119 51.119 51.935 -0.816 18053 6821 1 11 . 1 1 40 40 ASN CB C 470 37.559 37.559 38.890 -1.331 18053 6822 1 11 . 1 1 40 40 ASN H H 470 8.283 8.283 8.550 -0.267 18053 6823 1 11 . 1 1 41 41 ASN N N 471 122.422 122.422 124.377 -1.955 18053 6824 1 11 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.738 -0.150 18053 6825 1 11 . 1 1 41 41 ASN C C 471 174.810 174.810 175.235 -0.425 18053 6826 1 11 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.541 0.444 18053 6827 1 11 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.049 0.551 18053 6828 1 11 . 1 1 41 41 ASN H H 471 8.681 8.681 8.551 0.130 18053 6829 1 11 . 1 1 42 42 SER N N 472 116.446 116.446 114.843 1.603 18053 6830 1 11 . 1 1 42 42 SER HA H 472 4.719 4.719 4.461 0.258 18053 6831 1 11 . 1 1 42 42 SER C C 472 172.804 172.804 174.635 -1.831 18053 6832 1 11 . 1 1 42 42 SER CA C 472 57.288 57.288 57.663 -0.374 18053 6833 1 11 . 1 1 42 42 SER CB C 472 66.241 66.241 64.478 1.763 18053 6834 1 11 . 1 1 42 42 SER H H 472 8.370 8.370 7.638 0.732 18053 6835 1 11 . 1 1 43 43 ASP N N 473 117.706 117.706 122.350 -4.644 18053 6836 1 11 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.659 -0.185 18053 6837 1 11 . 1 1 43 43 ASP C C 473 175.343 175.343 176.350 -1.007 18053 6838 1 11 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.263 -1.742 18053 6839 1 11 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.949 -0.627 18053 6840 1 11 . 1 1 43 43 ASP H H 473 8.254 8.254 8.766 -0.512 18053 6841 1 11 . 1 1 44 44 LYS N N 474 120.209 120.209 119.105 1.104 18053 6842 1 11 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.451 0.118 18053 6843 1 11 . 1 1 44 44 LYS C C 474 175.397 175.397 174.559 0.838 18053 6844 1 11 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.237 -0.225 18053 6845 1 11 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.576 0.807 18053 6846 1 11 . 1 1 44 44 LYS H H 474 8.305 8.305 7.392 0.913 18053 6847 1 11 . 1 1 45 45 ASP N N 475 124.993 124.993 118.546 6.447 18053 6848 1 11 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.422 -0.447 18053 6849 1 11 . 1 1 45 45 ASP C C 475 174.810 174.810 175.764 -0.954 18053 6850 1 11 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.141 0.854 18053 6851 1 11 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.502 -0.138 18053 6852 1 11 . 1 1 45 45 ASP H H 475 8.722 8.722 8.301 0.421 18053 6853 1 11 . 1 1 46 46 GLN N N 476 120.549 120.549 125.473 -4.924 18053 6854 1 11 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.398 0.038 18053 6855 1 11 . 1 1 46 46 GLN C C 476 174.019 174.019 174.924 -0.905 18053 6856 1 11 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.597 -1.459 18053 6857 1 11 . 1 1 46 46 GLN CB C 476 31.466 31.466 30.044 1.422 18053 6858 1 11 . 1 1 46 46 GLN H H 476 7.878 7.878 8.226 -0.348 18053 6859 1 11 . 1 1 47 47 SER N N 477 121.537 121.537 122.016 -0.479 18053 6860 1 11 . 1 1 47 47 SER HA H 477 4.229 4.229 4.315 -0.086 18053 6861 1 11 . 1 1 47 47 SER C C 477 174.565 174.565 173.995 0.570 18053 6862 1 11 . 1 1 47 47 SER CA C 477 58.706 58.706 58.639 0.067 18053 6863 1 11 . 1 1 47 47 SER CB C 477 62.965 62.965 62.924 0.041 18053 6864 1 11 . 1 1 47 47 SER H H 477 8.748 8.748 8.614 0.134 18053 6865 1 11 . 1 1 48 48 LEU N N 478 127.751 127.751 123.848 3.903 18053 6866 1 11 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.078 -1.447 18053 6867 1 11 . 1 1 48 48 LEU C C 478 176.789 176.789 177.707 -0.918 18053 6868 1 11 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.818 -1.716 18053 6869 1 11 . 1 1 48 48 LEU CB C 478 42.343 42.343 42.635 -0.292 18053 6870 1 11 . 1 1 48 48 LEU H H 478 7.856 7.856 7.990 -0.134 18053 6871 1 11 . 1 1 49 49 GLY N N 479 107.525 107.525 105.548 1.977 18053 6872 1 11 . 1 1 49 49 GLY C C 479 176.653 176.653 175.086 1.567 18053 6873 1 11 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.668 2.394 18053 6874 1 11 . 1 1 49 49 GLY H H 479 7.728 7.728 8.870 -1.142 18053 6875 1 11 . 1 1 50 50 ASN N N 480 117.059 117.059 118.857 -1.798 18053 6876 1 11 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.624 -0.369 18053 6877 1 11 . 1 1 50 50 ASN C C 480 174.961 174.961 174.871 0.090 18053 6878 1 11 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.092 2.268 18053 6879 1 11 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.581 -1.165 18053 6880 1 11 . 1 1 50 50 ASN H H 480 7.552 7.552 8.588 -1.036 18053 6881 1 11 . 1 1 51 51 TRP N N 481 122.166 122.166 118.691 3.475 18053 6882 1 11 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.899 -0.422 18053 6883 1 11 . 1 1 51 51 TRP C C 481 175.575 175.575 175.648 -0.073 18053 6884 1 11 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.781 0.981 18053 6885 1 11 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.396 -1.355 18053 6886 1 11 . 1 1 51 51 TRP H H 481 8.914 8.914 7.946 0.968 18053 6887 1 11 . 1 1 52 52 ARG N N 482 116.480 116.480 120.711 -4.231 18053 6888 1 11 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.178 0.790 18053 6889 1 11 . 1 1 52 52 ARG C C 482 175.807 175.807 175.147 0.660 18053 6890 1 11 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.524 -0.403 18053 6891 1 11 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.554 1.570 18053 6892 1 11 . 1 1 52 52 ARG H H 482 9.147 9.147 8.747 0.400 18053 6893 1 11 . 1 1 53 53 ILE N N 483 119.579 119.579 126.140 -6.561 18053 6894 1 11 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.957 0.028 18053 6895 1 11 . 1 1 53 53 ILE C C 483 175.670 175.670 176.013 -0.343 18053 6896 1 11 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.873 -0.473 18053 6897 1 11 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.053 2.174 18053 6898 1 11 . 1 1 53 53 ILE H H 483 9.000 9.000 8.781 0.219 18053 6899 1 11 . 1 1 54 54 LYS N N 484 124.737 124.737 128.847 -4.110 18053 6900 1 11 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.790 0.673 18053 6901 1 11 . 1 1 54 54 LYS C C 484 175.575 175.575 176.179 -0.604 18053 6902 1 11 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.462 -1.849 18053 6903 1 11 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.413 1.629 18053 6904 1 11 . 1 1 54 54 LYS H H 484 9.678 9.678 8.726 0.952 18053 6905 1 11 . 1 1 55 55 ARG N N 485 124.090 124.090 124.558 -0.468 18053 6906 1 11 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.545 0.980 18053 6907 1 11 . 1 1 55 55 ARG C C 485 174.155 174.155 174.497 -0.342 18053 6908 1 11 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.150 -0.247 18053 6909 1 11 . 1 1 55 55 ARG H H 485 9.314 9.314 8.544 0.770 18053 6910 1 11 . 1 1 56 56 GLN N N 486 126.576 126.576 125.847 0.729 18053 6911 1 11 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.499 0.343 18053 6912 1 11 . 1 1 56 56 GLN C C 486 174.991 174.991 173.855 1.136 18053 6913 1 11 . 1 1 56 56 GLN CA C 486 54.831 54.831 55.063 -0.232 18053 6914 1 11 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.852 1.613 18053 6915 1 11 . 1 1 56 56 GLN H H 486 8.831 8.831 8.455 0.376 18053 6916 1 11 . 1 1 57 57 VAL N N 487 126.712 126.712 125.169 1.543 18053 6917 1 11 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.548 -0.282 18053 6918 1 11 . 1 1 57 57 VAL C C 487 175.916 175.916 177.891 -1.975 18053 6919 1 11 . 1 1 57 57 VAL CA C 487 61.820 61.820 60.451 1.369 18053 6920 1 11 . 1 1 57 57 VAL CB C 487 32.803 32.803 33.062 -0.259 18053 6921 1 11 . 1 1 57 57 VAL H H 487 8.786 8.786 8.349 0.437 18053 6922 1 11 . 1 1 58 58 LEU N N 488 127.274 127.274 124.349 2.925 18053 6923 1 11 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.100 -0.015 18053 6924 1 11 . 1 1 58 58 LEU C C 488 177.158 177.158 177.704 -0.546 18053 6925 1 11 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.866 -0.960 18053 6926 1 11 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.756 -0.382 18053 6927 1 11 . 1 1 58 58 LEU H H 488 8.316 8.316 8.333 -0.017 18053 6928 1 11 . 1 1 59 59 GLU N N 489 119.647 119.647 118.444 1.203 18053 6929 1 11 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.168 -0.056 18053 6930 1 11 . 1 1 59 59 GLU C C 489 176.230 176.230 177.250 -1.020 18053 6931 1 11 . 1 1 59 59 GLU CA C 489 57.015 57.015 57.328 -0.313 18053 6932 1 11 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.630 -1.481 18053 6933 1 11 . 1 1 59 59 GLU H H 489 8.636 8.636 8.234 0.402 18053 6934 1 11 . 1 1 60 60 GLY N N 490 108.819 108.819 107.379 1.440 18053 6935 1 11 . 1 1 60 60 GLY C C 490 173.568 173.568 173.443 0.125 18053 6936 1 11 . 1 1 60 60 GLY CA C 490 44.773 44.773 45.000 -0.227 18053 6937 1 11 . 1 1 60 60 GLY H H 490 8.160 8.160 7.900 0.260 18053 6938 1 11 . 1 1 61 61 GLU N N 491 121.009 121.009 122.367 -1.358 18053 6939 1 11 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.264 0.059 18053 6940 1 11 . 1 1 61 61 GLU C C 491 175.725 175.725 175.453 0.272 18053 6941 1 11 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.549 0.647 18053 6942 1 11 . 1 1 61 61 GLU CB C 491 30.865 30.865 28.395 2.470 18053 6943 1 11 . 1 1 61 61 GLU H H 491 8.320 8.320 8.331 -0.011 18053 6944 1 11 . 1 1 62 62 GLU N N 492 123.426 123.426 124.893 -1.467 18053 6945 1 11 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.198 -0.144 18053 6946 1 11 . 1 1 62 62 GLU C C 492 175.930 175.930 176.237 -0.307 18053 6947 1 11 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.671 0.979 18053 6948 1 11 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.079 2.233 18053 6949 1 11 . 1 1 62 62 GLU H H 492 8.594 8.594 8.335 0.259 18053 6950 1 11 . 1 1 63 63 ILE N N 493 119.732 119.732 118.871 0.861 18053 6951 1 11 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.869 -0.081 18053 6952 1 11 . 1 1 63 63 ILE C C 493 174.647 174.647 174.594 0.053 18053 6953 1 11 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.402 0.779 18053 6954 1 11 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.999 0.184 18053 6955 1 11 . 1 1 63 63 ILE H H 493 8.523 8.523 8.379 0.144 18053 6956 1 11 . 1 1 64 64 ALA N N 494 122.166 122.166 121.938 0.228 18053 6957 1 11 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.987 0.534 18053 6958 1 11 . 1 1 64 64 ALA C C 494 174.606 174.606 175.901 -1.295 18053 6959 1 11 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.893 -0.365 18053 6960 1 11 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.183 1.056 18053 6961 1 11 . 1 1 64 64 ALA H H 494 8.741 8.741 8.441 0.300 18053 6962 1 11 . 1 1 65 65 TYR N N 495 126.729 126.729 126.371 0.358 18053 6963 1 11 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.626 -0.532 18053 6964 1 11 . 1 1 65 65 TYR C C 495 173.036 173.036 173.774 -0.738 18053 6965 1 11 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.279 0.626 18053 6966 1 11 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.640 1.629 18053 6967 1 11 . 1 1 65 65 TYR H H 495 8.462 8.462 8.665 -0.203 18053 6968 1 11 . 1 1 66 66 LYS N N 496 128.108 128.108 126.994 1.114 18053 6969 1 11 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.478 0.344 18053 6970 1 11 . 1 1 66 66 LYS C C 496 174.906 174.906 174.848 0.058 18053 6971 1 11 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.925 -1.185 18053 6972 1 11 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.545 1.237 18053 6973 1 11 . 1 1 66 66 LYS H H 496 7.010 7.010 7.326 -0.316 18053 6974 1 11 . 1 1 67 67 PHE N N 497 125.299 125.299 121.672 3.627 18053 6975 1 11 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.048 -0.116 18053 6976 1 11 . 1 1 67 67 PHE C C 497 177.990 177.990 175.711 2.279 18053 6977 1 11 . 1 1 67 67 PHE CA C 497 59.007 59.007 58.114 0.893 18053 6978 1 11 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.119 0.862 18053 6979 1 11 . 1 1 67 67 PHE H H 497 8.509 8.509 8.173 0.336 18053 6980 1 11 . 1 1 68 68 THR N N 498 116.191 116.191 110.888 5.303 18053 6981 1 11 . 1 1 68 68 THR HA H 498 4.417 4.417 4.618 -0.201 18053 6982 1 11 . 1 1 68 68 THR CA C 498 60.855 60.855 59.550 1.305 18053 6983 1 11 . 1 1 68 68 THR CB C 498 68.019 68.019 69.217 -1.198 18053 6984 1 11 . 1 1 68 68 THR H H 498 8.688 8.688 8.233 0.455 18053 6985 1 11 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.504 -0.556 18053 6986 1 11 . 1 1 69 69 PRO C C 499 177.444 177.444 177.275 0.169 18053 6987 1 11 . 1 1 69 69 PRO CA C 499 66.077 66.077 65.038 1.039 18053 6988 1 11 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.773 1.003 18053 6989 1 11 . 1 1 70 70 LYS N N 500 113.552 113.552 113.767 -0.215 18053 6990 1 11 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.163 0.222 18053 6991 1 11 . 1 1 70 70 LYS C C 500 176.325 176.325 176.254 0.071 18053 6992 1 11 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.513 -1.518 18053 6993 1 11 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.245 -0.452 18053 6994 1 11 . 1 1 70 70 LYS H H 500 8.016 8.016 8.235 -0.219 18053 6995 1 11 . 1 1 71 71 TYR N N 501 121.860 121.860 122.087 -0.227 18053 6996 1 11 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.289 -0.559 18053 6997 1 11 . 1 1 71 71 TYR C C 501 174.838 174.838 174.029 0.809 18053 6998 1 11 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.568 2.742 18053 6999 1 11 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.003 -0.222 18053 7000 1 11 . 1 1 71 71 TYR H H 501 7.460 7.460 7.722 -0.262 18053 7001 1 11 . 1 1 72 72 ILE N N 502 129.487 129.487 127.580 1.907 18053 7002 1 11 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.291 -0.363 18053 7003 1 11 . 1 1 72 72 ILE C C 502 172.968 172.968 173.406 -0.438 18053 7004 1 11 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.439 -0.131 18053 7005 1 11 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.618 -0.708 18053 7006 1 11 . 1 1 72 72 ILE H H 502 7.168 7.168 7.719 -0.551 18053 7007 1 11 . 1 1 73 73 LEU N N 503 128.278 128.278 126.644 1.634 18053 7008 1 11 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.601 -0.108 18053 7009 1 11 . 1 1 73 73 LEU C C 503 175.834 175.834 174.976 0.858 18053 7010 1 11 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.637 -0.672 18053 7011 1 11 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.843 -2.295 18053 7012 1 11 . 1 1 73 73 LEU H H 503 8.483 8.483 8.352 0.131 18053 7013 1 11 . 1 1 74 74 ARG N N 504 129.589 129.589 124.641 4.948 18053 7014 1 11 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.232 -0.489 18053 7015 1 11 . 1 1 74 74 ARG C C 504 175.233 175.233 175.459 -0.226 18053 7016 1 11 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.233 1.618 18053 7017 1 11 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.739 -0.447 18053 7018 1 11 . 1 1 74 74 ARG H H 504 8.673 8.673 8.371 0.302 18053 7019 1 11 . 1 1 75 75 ALA N N 505 123.205 123.205 125.656 -2.451 18053 7020 1 11 . 1 1 75 75 ALA HA H 505 3.522 3.522 3.967 -0.445 18053 7021 1 11 . 1 1 75 75 ALA C C 505 178.441 178.441 177.981 0.460 18053 7022 1 11 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.051 0.743 18053 7023 1 11 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.101 0.809 18053 7024 1 11 . 1 1 75 75 ALA H H 505 8.564 8.564 8.446 0.118 18053 7025 1 11 . 1 1 76 76 GLY N N 506 112.241 112.241 112.822 -0.581 18053 7026 1 11 . 1 1 76 76 GLY C C 506 174.278 174.278 174.165 0.113 18053 7027 1 11 . 1 1 76 76 GLY CA C 506 46.725 46.725 44.965 1.760 18053 7028 1 11 . 1 1 76 76 GLY H H 506 7.381 7.381 8.751 -1.370 18053 7029 1 11 . 1 1 77 77 GLN N N 507 117.382 117.382 119.266 -1.884 18053 7030 1 11 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.667 -0.303 18053 7031 1 11 . 1 1 77 77 GLN C C 507 173.937 173.937 174.574 -0.637 18053 7032 1 11 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.185 0.373 18053 7033 1 11 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.655 -0.582 18053 7034 1 11 . 1 1 77 77 GLN H H 507 7.996 7.996 7.732 0.264 18053 7035 1 11 . 1 1 78 78 MET N N 508 116.957 116.957 115.011 1.946 18053 7036 1 11 . 1 1 78 78 MET HA H 508 5.388 5.388 5.160 0.228 18053 7037 1 11 . 1 1 78 78 MET C C 508 175.807 175.807 174.210 1.597 18053 7038 1 11 . 1 1 78 78 MET CA C 508 54.067 54.067 54.678 -0.611 18053 7039 1 11 . 1 1 78 78 MET CB C 508 37.198 37.198 36.114 1.084 18053 7040 1 11 . 1 1 78 78 MET H H 508 8.092 8.092 8.302 -0.210 18053 7041 1 11 . 1 1 79 79 VAL N N 509 119.340 119.340 124.402 -5.062 18053 7042 1 11 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.896 0.060 18053 7043 1 11 . 1 1 79 79 VAL C C 509 172.217 172.217 175.074 -2.857 18053 7044 1 11 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.265 -0.794 18053 7045 1 11 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.493 -0.817 18053 7046 1 11 . 1 1 79 79 VAL H H 509 8.534 8.534 8.452 0.082 18053 7047 1 11 . 1 1 80 80 THR N N 510 124.533 124.533 126.890 -2.357 18053 7048 1 11 . 1 1 80 80 THR HA H 510 4.586 4.586 4.778 -0.192 18053 7049 1 11 . 1 1 80 80 THR C C 510 172.215 172.215 174.281 -2.066 18053 7050 1 11 . 1 1 80 80 THR CA C 510 62.119 62.119 62.415 -0.296 18053 7051 1 11 . 1 1 80 80 THR CB C 510 69.407 69.407 68.538 0.869 18053 7052 1 11 . 1 1 80 80 THR H H 510 8.301 8.301 8.797 -0.496 18053 7053 1 11 . 1 1 81 81 VAL N N 511 127.002 127.002 127.502 -0.500 18053 7054 1 11 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.600 -0.004 18053 7055 1 11 . 1 1 81 81 VAL C C 511 176.667 176.667 175.601 1.066 18053 7056 1 11 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.328 -0.946 18053 7057 1 11 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.884 0.061 18053 7058 1 11 . 1 1 81 81 VAL H H 511 8.796 8.796 8.592 0.204 18053 7059 1 11 . 1 1 82 82 TRP N N 512 131.479 131.479 129.383 2.096 18053 7060 1 11 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.504 -0.166 18053 7061 1 11 . 1 1 82 82 TRP C C 512 176.885 176.885 175.080 1.805 18053 7062 1 11 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.388 0.054 18053 7063 1 11 . 1 1 82 82 TRP CB C 512 30.701 30.701 32.017 -1.316 18053 7064 1 11 . 1 1 82 82 TRP H H 512 9.924 9.924 9.203 0.721 18053 7065 1 11 . 1 1 83 83 ALA N N 513 123.954 123.954 120.578 3.376 18053 7066 1 11 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.675 -0.367 18053 7067 1 11 . 1 1 83 83 ALA C C 513 178.140 178.140 176.953 1.187 18053 7068 1 11 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.468 1.743 18053 7069 1 11 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.743 -1.998 18053 7070 1 11 . 1 1 83 83 ALA H H 513 9.048 9.048 8.757 0.291 18053 7071 1 11 . 1 1 84 84 ALA N N 514 125.146 125.146 125.819 -0.673 18053 7072 1 11 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.083 -0.132 18053 7073 1 11 . 1 1 84 84 ALA C C 514 179.519 179.519 179.618 -0.099 18053 7074 1 11 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.629 0.175 18053 7075 1 11 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.040 -0.458 18053 7076 1 11 . 1 1 84 84 ALA H H 514 8.341 8.341 8.199 0.142 18053 7077 1 11 . 1 1 85 85 GLY N N 515 103.388 103.388 105.634 -2.246 18053 7078 1 11 . 1 1 85 85 GLY C C 515 174.674 174.674 175.237 -0.563 18053 7079 1 11 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.810 0.068 18053 7080 1 11 . 1 1 85 85 GLY H H 515 7.996 7.996 7.963 0.033 18053 7081 1 11 . 1 1 86 86 ALA N N 516 120.140 120.140 122.454 -2.314 18053 7082 1 11 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.224 0.120 18053 7083 1 11 . 1 1 86 86 ALA C C 516 177.690 177.690 178.309 -0.619 18053 7084 1 11 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.492 0.647 18053 7085 1 11 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.146 1.401 18053 7086 1 11 . 1 1 86 86 ALA H H 516 7.474 7.474 7.203 0.271 18053 7087 1 11 . 1 1 87 87 GLY N N 517 105.720 105.720 107.334 -1.614 18053 7088 1 11 . 1 1 87 87 GLY C C 517 173.650 173.650 174.693 -1.043 18053 7089 1 11 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.600 0.414 18053 7090 1 11 . 1 1 87 87 GLY H H 517 7.779 7.779 7.787 -0.008 18053 7091 1 11 . 1 1 88 88 VAL N N 518 121.537 121.537 119.041 2.496 18053 7092 1 11 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.043 -0.458 18053 7093 1 11 . 1 1 88 88 VAL C C 518 174.851 174.851 175.209 -0.358 18053 7094 1 11 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.884 0.390 18053 7095 1 11 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.933 0.443 18053 7096 1 11 . 1 1 88 88 VAL H H 518 7.499 7.499 7.684 -0.185 18053 7097 1 11 . 1 1 89 89 ALA N N 519 128.295 128.295 128.799 -0.504 18053 7098 1 11 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.217 -0.025 18053 7099 1 11 . 1 1 89 89 ALA C C 519 176.680 176.680 176.314 0.366 18053 7100 1 11 . 1 1 89 89 ALA CA C 519 51.283 51.283 52.071 -0.788 18053 7101 1 11 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.018 0.274 18053 7102 1 11 . 1 1 89 89 ALA H H 519 7.960 7.960 8.101 -0.141 18053 7103 1 11 . 1 1 90 90 HIS N N 520 122.643 122.643 123.564 -0.921 18053 7104 1 11 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.351 -0.318 18053 7105 1 11 . 1 1 90 90 HIS C C 520 175.793 175.793 174.579 1.214 18053 7106 1 11 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.065 2.588 18053 7107 1 11 . 1 1 90 90 HIS CB C 520 32.285 32.285 30.331 1.954 18053 7108 1 11 . 1 1 90 90 HIS H H 520 8.394 8.394 8.630 -0.236 18053 7109 1 11 . 1 1 91 91 SER N N 521 121.247 121.247 122.591 -1.344 18053 7110 1 11 . 1 1 91 91 SER HA H 521 4.629 4.629 4.642 -0.013 18053 7111 1 11 . 1 1 91 91 SER CA C 521 55.843 55.843 56.608 -0.765 18053 7112 1 11 . 1 1 91 91 SER CB C 521 62.367 62.367 63.926 -1.559 18053 7113 1 11 . 1 1 91 91 SER H H 521 8.569 8.569 8.557 0.012 18053 7114 1 11 . 1 1 92 92 PRO HA H 522 4.002 4.002 5.051 -1.049 18053 7115 1 11 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.112 0.132 18053 7116 1 11 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.601 -0.670 18053 7117 1 11 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.823 -0.151 18053 7118 1 11 . 1 1 93 93 PRO C C 523 177.786 177.786 178.233 -0.447 18053 7119 1 11 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.182 -0.179 18053 7120 1 11 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.576 2.329 18053 7121 1 11 . 1 1 94 94 SER N N 524 117.212 117.212 115.737 1.475 18053 7122 1 11 . 1 1 94 94 SER HA H 524 4.678 4.678 4.578 0.100 18053 7123 1 11 . 1 1 94 94 SER C C 524 174.851 174.851 174.687 0.164 18053 7124 1 11 . 1 1 94 94 SER CA C 524 61.874 61.874 60.881 0.993 18053 7125 1 11 . 1 1 94 94 SER CB C 524 64.057 64.057 63.725 0.332 18053 7126 1 11 . 1 1 94 94 SER H H 524 8.463 8.463 8.356 0.107 18053 7127 1 11 . 1 1 95 95 THR N N 525 121.588 121.588 117.844 3.744 18053 7128 1 11 . 1 1 95 95 THR HA H 525 4.859 4.859 4.999 -0.140 18053 7129 1 11 . 1 1 95 95 THR C C 525 172.094 172.094 172.564 -0.470 18053 7130 1 11 . 1 1 95 95 THR CA C 525 62.309 62.309 61.760 0.549 18053 7131 1 11 . 1 1 95 95 THR CB C 525 70.281 70.281 70.092 0.189 18053 7132 1 11 . 1 1 95 95 THR H H 525 7.631 7.631 7.949 -0.318 18053 7133 1 11 . 1 1 96 96 LEU N N 526 127.274 127.274 129.824 -2.550 18053 7134 1 11 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.262 -0.131 18053 7135 1 11 . 1 1 96 96 LEU C C 526 175.916 175.916 174.680 1.236 18053 7136 1 11 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.512 -1.437 18053 7137 1 11 . 1 1 96 96 LEU CB C 526 43.790 43.790 45.033 -1.243 18053 7138 1 11 . 1 1 96 96 LEU H H 526 8.977 8.977 8.304 0.673 18053 7139 1 11 . 1 1 97 97 VAL N N 527 124.056 124.056 125.635 -1.579 18053 7140 1 11 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.434 0.435 18053 7141 1 11 . 1 1 97 97 VAL C C 527 176.230 176.230 174.631 1.599 18053 7142 1 11 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.274 0.245 18053 7143 1 11 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.755 -0.051 18053 7144 1 11 . 1 1 97 97 VAL H H 527 10.724 10.724 7.739 2.985 18053 7145 1 11 . 1 1 98 98 TRP N N 528 132.586 132.586 130.494 2.092 18053 7146 1 11 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.099 0.866 18053 7147 1 11 . 1 1 98 98 TRP C C 528 173.391 173.391 174.705 -1.314 18053 7148 1 11 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.142 -1.839 18053 7149 1 11 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.456 -0.211 18053 7150 1 11 . 1 1 98 98 TRP H H 528 9.400 9.400 8.465 0.935 18053 7151 1 11 . 1 1 99 99 LYS N N 529 126.644 126.644 128.973 -2.329 18053 7152 1 11 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.072 -0.233 18053 7153 1 11 . 1 1 99 99 LYS C C 529 177.581 177.581 176.941 0.640 18053 7154 1 11 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.187 1.356 18053 7155 1 11 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.158 0.017 18053 7156 1 11 . 1 1 99 99 LYS H H 529 8.153 8.153 8.002 0.151 18053 7157 1 11 . 1 1 100 100 GLY N N 530 110.385 110.385 113.882 -3.497 18053 7158 1 11 . 1 1 100 100 GLY C C 530 172.367 172.367 173.674 -1.307 18053 7159 1 11 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.625 0.653 18053 7160 1 11 . 1 1 100 100 GLY H H 530 8.363 8.363 8.491 -0.128 18053 7161 1 11 . 1 1 101 101 GLN N N 531 121.162 121.162 122.179 -1.017 18053 7162 1 11 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.245 -0.273 18053 7163 1 11 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.814 -2.194 18053 7164 1 11 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.820 -1.225 18053 7165 1 11 . 1 1 101 101 GLN H H 531 6.815 6.815 7.282 -0.467 18053 7166 1 11 . 1 1 102 102 SER N N 532 122.728 122.728 120.982 1.746 18053 7167 1 11 . 1 1 102 102 SER HA H 532 3.866 3.866 4.585 -0.719 18053 7168 1 11 . 1 1 102 102 SER C C 532 174.537 174.537 175.985 -1.448 18053 7169 1 11 . 1 1 102 102 SER CA C 532 61.983 61.983 60.354 1.629 18053 7170 1 11 . 1 1 102 102 SER CB C 532 62.802 62.802 63.728 -0.926 18053 7171 1 11 . 1 1 102 102 SER H H 532 8.662 8.662 8.817 -0.155 18053 7172 1 11 . 1 1 103 103 SER N N 533 110.811 110.811 116.327 -5.516 18053 7173 1 11 . 1 1 103 103 SER HA H 533 4.240 4.240 4.276 -0.036 18053 7174 1 11 . 1 1 103 103 SER C C 533 174.087 174.087 174.336 -0.249 18053 7175 1 11 . 1 1 103 103 SER CA C 533 56.633 56.633 58.780 -2.147 18053 7176 1 11 . 1 1 103 103 SER CB C 533 64.658 64.658 63.898 0.759 18053 7177 1 11 . 1 1 103 103 SER H H 533 7.134 7.134 7.799 -0.665 18053 7178 1 11 . 1 1 104 104 TRP N N 534 126.133 126.133 122.471 3.662 18053 7179 1 11 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.215 -0.117 18053 7180 1 11 . 1 1 104 104 TRP C C 534 176.066 176.066 175.581 0.485 18053 7181 1 11 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.304 2.823 18053 7182 1 11 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.794 -0.030 18053 7183 1 11 . 1 1 104 104 TRP H H 534 9.764 9.764 7.973 1.790 18053 7184 1 11 . 1 1 105 105 GLY N N 535 105.907 105.907 105.161 0.746 18053 7185 1 11 . 1 1 105 105 GLY C C 535 172.217 172.217 173.540 -1.323 18053 7186 1 11 . 1 1 105 105 GLY CA C 535 44.240 44.240 45.205 -0.965 18053 7187 1 11 . 1 1 105 105 GLY H H 535 8.095 8.095 8.193 -0.098 18053 7188 1 11 . 1 1 106 106 THR N N 536 111.253 111.253 115.028 -3.775 18053 7189 1 11 . 1 1 106 106 THR HA H 536 3.859 3.859 3.552 0.307 18053 7190 1 11 . 1 1 106 106 THR C C 536 172.872 172.872 173.295 -0.423 18053 7191 1 11 . 1 1 106 106 THR CA C 536 59.635 59.635 60.401 -0.766 18053 7192 1 11 . 1 1 106 106 THR CB C 536 70.526 70.526 70.668 -0.142 18053 7193 1 11 . 1 1 106 106 THR H H 536 7.913 7.913 7.615 0.298 18053 7194 1 11 . 1 1 107 107 GLY N N 537 107.712 107.712 110.457 -2.745 18053 7195 1 11 . 1 1 107 107 GLY C C 537 172.709 172.709 173.116 -0.407 18053 7196 1 11 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.598 -0.432 18053 7197 1 11 . 1 1 107 107 GLY H H 537 7.533 7.533 7.993 -0.460 18053 7198 1 11 . 1 1 108 108 GLU N N 538 118.864 118.864 119.717 -0.853 18053 7199 1 11 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.211 -0.075 18053 7200 1 11 . 1 1 108 108 GLU C C 538 176.353 176.353 175.731 0.622 18053 7201 1 11 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.480 -0.128 18053 7202 1 11 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.150 0.006 18053 7203 1 11 . 1 1 108 108 GLU H H 538 8.558 8.558 8.545 0.013 18053 7204 1 11 . 1 1 109 109 SER N N 539 110.419 110.419 111.138 -0.719 18053 7205 1 11 . 1 1 109 109 SER HA H 539 4.963 4.963 4.593 0.370 18053 7206 1 11 . 1 1 109 109 SER C C 539 173.787 173.787 172.304 1.483 18053 7207 1 11 . 1 1 109 109 SER CA C 539 57.125 57.125 58.212 -1.087 18053 7208 1 11 . 1 1 109 109 SER CB C 539 64.439 64.439 65.579 -1.140 18053 7209 1 11 . 1 1 109 109 SER H H 539 7.620 7.620 7.619 0.001 18053 7210 1 11 . 1 1 110 110 PHE N N 540 118.778 118.778 118.827 -0.049 18053 7211 1 11 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.297 -0.216 18053 7212 1 11 . 1 1 110 110 PHE C C 540 176.052 176.052 173.934 2.118 18053 7213 1 11 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.272 0.517 18053 7214 1 11 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.906 -1.146 18053 7215 1 11 . 1 1 110 110 PHE H H 540 8.318 8.318 8.779 -0.461 18053 7216 1 11 . 1 1 112 112 THR HA H 542 5.468 5.468 5.169 0.299 18053 7217 1 11 . 1 1 112 112 THR C C 542 172.381 172.381 173.553 -1.172 18053 7218 1 11 . 1 1 112 112 THR CA C 542 61.818 61.818 62.549 -0.731 18053 7219 1 11 . 1 1 112 112 THR CB C 542 70.990 70.990 69.574 1.416 18053 7220 1 11 . 1 1 113 113 VAL N N 543 124.771 124.771 127.013 -2.242 18053 7221 1 11 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.667 0.198 18053 7222 1 11 . 1 1 113 113 VAL C C 543 173.132 173.132 173.854 -0.722 18053 7223 1 11 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.679 -0.580 18053 7224 1 11 . 1 1 113 113 VAL CB C 543 36.433 36.433 35.303 1.130 18053 7225 1 11 . 1 1 113 113 VAL H H 543 9.380 9.380 8.898 0.482 18053 7226 1 11 . 1 1 114 114 LEU N N 544 128.789 128.789 129.461 -0.672 18053 7227 1 11 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.844 0.476 18053 7228 1 11 . 1 1 114 114 LEU C C 544 174.237 174.237 174.740 -0.503 18053 7229 1 11 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.725 -0.532 18053 7230 1 11 . 1 1 114 114 LEU CB C 544 45.879 45.879 43.166 2.712 18053 7231 1 11 . 1 1 114 114 LEU H H 544 8.948 8.948 8.684 0.264 18053 7232 1 11 . 1 1 115 115 VAL N N 545 127.002 127.002 127.176 -0.174 18053 7233 1 11 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.677 0.177 18053 7234 1 11 . 1 1 115 115 VAL C C 545 175.206 175.206 175.090 0.116 18053 7235 1 11 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.393 -1.059 18053 7236 1 11 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.709 -0.214 18053 7237 1 11 . 1 1 115 115 VAL H H 545 9.564 9.564 8.807 0.757 18053 7238 1 11 . 1 1 116 116 ASN N N 546 121.179 121.179 121.106 0.073 18053 7239 1 11 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.986 -1.089 18053 7240 1 11 . 1 1 116 116 ASN C C 546 176.885 176.885 174.633 2.252 18053 7241 1 11 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.206 -0.797 18053 7242 1 11 . 1 1 116 116 ASN CB C 546 36.639 36.639 40.010 -3.371 18053 7243 1 11 . 1 1 116 116 ASN H H 546 8.016 8.016 7.883 0.133 18053 7244 1 11 . 1 1 117 117 ALA N N 547 119.834 119.834 121.133 -1.299 18053 7245 1 11 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.021 -0.155 18053 7246 1 11 . 1 1 117 117 ALA C C 547 177.772 177.772 178.504 -0.732 18053 7247 1 11 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.328 0.176 18053 7248 1 11 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.617 -0.417 18053 7249 1 11 . 1 1 117 117 ALA H H 547 6.444 6.444 8.112 -1.668 18053 7250 1 11 . 1 1 118 118 ASP N N 548 115.646 115.646 117.445 -1.799 18053 7251 1 11 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.397 0.247 18053 7252 1 11 . 1 1 118 118 ASP C C 548 176.052 176.052 177.384 -1.332 18053 7253 1 11 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.481 -1.414 18053 7254 1 11 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.336 0.338 18053 7255 1 11 . 1 1 118 118 ASP H H 548 7.181 7.181 8.156 -0.975 18053 7256 1 11 . 1 1 119 119 GLY N N 549 107.167 107.167 106.653 0.514 18053 7257 1 11 . 1 1 119 119 GLY C C 549 173.841 173.841 174.038 -0.197 18053 7258 1 11 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.550 0.905 18053 7259 1 11 . 1 1 119 119 GLY H H 549 7.738 7.738 7.527 0.211 18053 7260 1 11 . 1 1 120 120 GLU N N 550 121.196 121.196 121.260 -0.064 18053 7261 1 11 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.249 -0.137 18053 7262 1 11 . 1 1 120 120 GLU C C 550 175.588 175.588 175.082 0.506 18053 7263 1 11 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.558 -0.727 18053 7264 1 11 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.278 -0.341 18053 7265 1 11 . 1 1 120 120 GLU H H 550 7.587 7.587 7.798 -0.211 18053 7266 1 11 . 1 1 121 121 GLU N N 551 123.886 123.886 121.139 2.747 18053 7267 1 11 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.365 -0.089 18053 7268 1 11 . 1 1 121 121 GLU C C 551 176.817 176.817 176.407 0.410 18053 7269 1 11 . 1 1 121 121 GLU CA C 551 56.796 56.796 55.914 0.881 18053 7270 1 11 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.907 -0.952 18053 7271 1 11 . 1 1 121 121 GLU H H 551 8.697 8.697 8.684 0.013 18053 7272 1 11 . 1 1 122 122 VAL N N 552 120.055 120.055 120.265 -0.210 18053 7273 1 11 . 1 1 122 122 VAL HA H 552 4.364 4.364 3.976 0.388 18053 7274 1 11 . 1 1 122 122 VAL C C 552 175.998 175.998 175.469 0.529 18053 7275 1 11 . 1 1 122 122 VAL CA C 552 61.655 61.655 63.092 -1.437 18053 7276 1 11 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.340 0.709 18053 7277 1 11 . 1 1 122 122 VAL H H 552 8.845 8.845 8.101 0.744 18053 7278 1 11 . 1 1 123 123 ALA N N 553 122.098 122.098 121.591 0.507 18053 7279 1 11 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.680 0.210 18053 7280 1 11 . 1 1 123 123 ALA C C 553 175.261 175.261 175.257 0.004 18053 7281 1 11 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.980 0.777 18053 7282 1 11 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.983 0.284 18053 7283 1 11 . 1 1 123 123 ALA H H 553 7.788 7.788 7.615 0.173 18053 7284 1 11 . 1 1 124 124 MET N N 554 118.217 118.217 124.236 -6.019 18053 7285 1 11 . 1 1 124 124 MET HA H 554 5.286 5.286 4.738 0.548 18053 7286 1 11 . 1 1 124 124 MET C C 554 174.428 174.428 174.747 -0.319 18053 7287 1 11 . 1 1 124 124 MET CA C 554 55.104 55.104 55.173 -0.069 18053 7288 1 11 . 1 1 124 124 MET CB C 554 35.342 35.342 34.725 0.617 18053 7289 1 11 . 1 1 124 124 MET H H 554 8.693 8.693 8.580 0.113 18053 7290 1 11 . 1 1 125 125 ARG N N 555 122.132 122.132 128.936 -6.804 18053 7291 1 11 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.734 0.166 18053 7292 1 11 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.256 1.132 18053 7293 1 11 . 1 1 125 125 ARG CB C 555 34.378 34.378 32.558 1.820 18053 7294 1 11 . 1 1 125 125 ARG H H 555 8.919 8.919 8.865 0.054 18053 7295 1 11 . 1 1 126 126 THR HA H 556 4.685 4.685 4.405 0.280 18053 7296 1 11 . 1 1 126 126 THR C C 556 172.436 172.436 173.602 -1.166 18053 7297 1 11 . 1 1 126 126 THR CA C 556 61.382 61.382 63.232 -1.850 18053 7298 1 11 . 1 1 126 126 THR CB C 556 70.444 70.444 69.468 0.976 18053 7299 1 11 . 1 1 127 127 VAL N N 557 124.976 124.976 126.224 -1.248 18053 7300 1 11 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.321 -0.175 18053 7301 1 11 . 1 1 127 127 VAL C C 557 173.937 173.937 173.008 0.929 18053 7302 1 11 . 1 1 127 127 VAL CA C 557 61.109 61.109 59.226 1.883 18053 7303 1 11 . 1 1 127 127 VAL CB C 557 33.759 33.759 35.145 -1.386 18053 7304 1 11 . 1 1 127 127 VAL H H 557 8.127 8.127 8.632 -0.505 18053 7305 1 11 . 1 1 128 128 LYS N N 558 125.384 125.384 126.658 -1.274 18053 7306 1 11 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.324 0.382 18053 7307 1 11 . 1 1 128 128 LYS C C 558 175.534 175.534 175.355 0.179 18053 7308 1 11 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.666 1.220 18053 7309 1 11 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.323 1.350 18053 7310 1 11 . 1 1 128 128 LYS H H 558 8.289 8.289 8.230 0.059 18053 7311 1 11 . 1 1 129 129 LYS N N 559 124.005 124.005 125.342 -1.337 18053 7312 1 11 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.130 0.180 18053 7313 1 11 . 1 1 129 129 LYS C C 559 176.571 176.571 176.153 0.418 18053 7314 1 11 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.665 0.077 18053 7315 1 11 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.281 2.081 18053 7316 1 11 . 1 1 129 129 LYS H H 559 8.461 8.461 8.189 0.272 18053 7317 1 11 . 1 1 130 130 SER N N 560 117.195 117.195 118.037 -0.842 18053 7318 1 11 . 1 1 130 130 SER HA H 560 4.384 4.384 4.582 -0.198 18053 7319 1 11 . 1 1 130 130 SER C C 560 174.565 174.565 174.962 -0.397 18053 7320 1 11 . 1 1 130 130 SER CA C 560 58.434 58.434 58.711 -0.277 18053 7321 1 11 . 1 1 130 130 SER CB C 560 63.812 63.812 63.838 -0.026 18053 7322 1 11 . 1 1 130 130 SER H H 560 8.465 8.465 8.037 0.428 18053 7323 1 11 . 1 1 131 131 SER N N 561 118.149 118.149 116.966 1.183 18053 7324 1 11 . 1 1 131 131 SER HA H 561 4.412 4.412 4.574 -0.162 18053 7325 1 11 . 1 1 131 131 SER C C 561 174.456 174.456 174.853 -0.397 18053 7326 1 11 . 1 1 131 131 SER CA C 561 58.489 58.489 57.191 1.298 18053 7327 1 11 . 1 1 131 131 SER CB C 561 63.811 63.811 64.051 -0.240 18053 7328 1 11 . 1 1 131 131 SER H H 561 8.336 8.336 7.637 0.699 18053 7329 1 11 . 1 1 132 132 VAL N N 562 121.332 121.332 123.014 -1.682 18053 7330 1 11 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.258 -0.223 18053 7331 1 11 . 1 1 132 132 VAL C C 562 176.066 176.066 174.960 1.106 18053 7332 1 11 . 1 1 132 132 VAL CA C 562 62.446 62.446 60.922 1.524 18053 7333 1 11 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.107 0.287 18053 7334 1 11 . 1 1 132 132 VAL H H 562 7.982 7.982 8.613 -0.631 18053 7335 1 11 . 1 1 133 133 MET N N 563 124.022 124.022 119.898 4.124 18053 7336 1 11 . 1 1 133 133 MET HA H 563 4.385 4.385 4.411 -0.026 18053 7337 1 11 . 1 1 133 133 MET C C 563 176.039 176.039 175.794 0.245 18053 7338 1 11 . 1 1 133 133 MET CA C 563 55.350 55.350 56.956 -1.605 18053 7339 1 11 . 1 1 133 133 MET CB C 563 32.503 32.503 33.051 -0.548 18053 7340 1 11 . 1 1 133 133 MET H H 563 8.295 8.295 7.364 0.931 18053 7341 1 11 . 1 1 134 134 ARG N N 564 122.677 122.677 120.397 2.280 18053 7342 1 11 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.871 -0.609 18053 7343 1 11 . 1 1 134 134 ARG C C 564 176.298 176.298 175.619 0.679 18053 7344 1 11 . 1 1 134 134 ARG CA C 564 56.087 56.087 53.258 2.829 18053 7345 1 11 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.665 -0.963 18053 7346 1 11 . 1 1 134 134 ARG H H 564 8.295 8.295 8.601 -0.306 18053 7347 1 11 . 1 1 135 135 GLU N N 565 121.945 121.945 119.482 2.463 18053 7348 1 11 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.279 -0.119 18053 7349 1 11 . 1 1 135 135 GLU C C 565 176.080 176.080 177.291 -1.211 18053 7350 1 11 . 1 1 135 135 GLU CA C 565 56.906 56.906 57.404 -0.498 18053 7351 1 11 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.656 0.118 18053 7352 1 11 . 1 1 135 135 GLU H H 565 8.470 8.470 8.590 -0.120 18053 7353 1 11 . 1 1 136 136 ASN N N 566 118.761 118.761 121.417 -2.656 18053 7354 1 11 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.871 -0.254 18053 7355 1 11 . 1 1 136 136 ASN C C 566 175.315 175.315 175.904 -0.589 18053 7356 1 11 . 1 1 136 136 ASN CA C 566 53.193 53.193 56.587 -3.394 18053 7357 1 11 . 1 1 136 136 ASN CB C 566 38.836 38.836 37.578 1.258 18053 7358 1 11 . 1 1 136 136 ASN H H 566 8.341 8.341 9.390 -1.049 18053 7359 1 11 . 1 1 137 137 GLU N N 567 121.349 121.349 120.406 0.943 18053 7360 1 11 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.110 0.042 18053 7361 1 11 . 1 1 137 137 GLU C C 567 176.243 176.243 177.619 -1.376 18053 7362 1 11 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.224 -1.319 18053 7363 1 11 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.223 -0.231 18053 7364 1 11 . 1 1 137 137 GLU H H 567 8.349 8.349 8.131 0.218 18053 7365 1 11 . 1 1 138 138 ASN N N 568 118.761 118.761 116.274 2.487 18053 7366 1 11 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.555 0.157 18053 7367 1 11 . 1 1 138 138 ASN C C 568 174.551 174.551 174.616 -0.065 18053 7368 1 11 . 1 1 138 138 ASN CA C 568 53.193 53.193 55.003 -1.810 18053 7369 1 11 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.078 1.249 18053 7370 1 11 . 1 1 138 138 ASN H H 568 8.397 8.397 8.128 0.269 18053 7371 1 12 . 1 1 20 20 ALA N N 450 125.180 125.180 126.736 -1.556 18053 7372 1 12 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.359 0.347 18053 7373 1 12 . 1 1 20 20 ALA C C 450 177.226 177.226 176.983 0.243 18053 7374 1 12 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.745 0.012 18053 7375 1 12 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.097 2.314 18053 7376 1 12 . 1 1 20 20 ALA H H 450 8.484 8.484 8.383 0.101 18053 7377 1 12 . 1 1 21 21 SER N N 451 115.714 115.714 118.716 -3.002 18053 7378 1 12 . 1 1 21 21 SER HA H 451 4.513 4.513 4.545 -0.032 18053 7379 1 12 . 1 1 21 21 SER C C 451 174.742 174.742 175.409 -0.667 18053 7380 1 12 . 1 1 21 21 SER CA C 451 58.516 58.516 57.231 1.285 18053 7381 1 12 . 1 1 21 21 SER CB C 451 64.159 64.159 64.148 0.011 18053 7382 1 12 . 1 1 21 21 SER H H 451 8.487 8.487 7.829 0.658 18053 7383 1 12 . 1 1 22 22 GLY N N 452 111.509 111.509 115.446 -3.937 18053 7384 1 12 . 1 1 22 22 GLY C C 452 174.401 174.401 175.385 -0.984 18053 7385 1 12 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.503 -0.444 18053 7386 1 12 . 1 1 22 22 GLY H H 452 8.198 8.198 8.995 -0.797 18053 7387 1 12 . 1 1 23 23 SER N N 453 116.191 116.191 115.655 0.536 18053 7388 1 12 . 1 1 23 23 SER HA H 453 4.364 4.364 4.350 0.014 18053 7389 1 12 . 1 1 23 23 SER C C 453 173.432 173.432 173.901 -0.469 18053 7390 1 12 . 1 1 23 23 SER CA C 453 59.744 59.744 61.231 -1.487 18053 7391 1 12 . 1 1 23 23 SER CB C 453 64.335 64.335 64.099 0.236 18053 7392 1 12 . 1 1 23 23 SER H H 453 8.494 8.494 8.576 -0.082 18053 7393 1 12 . 1 1 24 24 VAL N N 454 121.656 121.656 118.807 2.849 18053 7394 1 12 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.609 0.426 18053 7395 1 12 . 1 1 24 24 VAL C C 454 174.606 174.606 175.134 -0.528 18053 7396 1 12 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.476 -0.421 18053 7397 1 12 . 1 1 24 24 VAL CB C 454 32.503 32.503 34.989 -2.486 18053 7398 1 12 . 1 1 24 24 VAL H H 454 7.830 7.830 7.878 -0.048 18053 7399 1 12 . 1 1 25 25 SER N N 455 119.323 119.323 121.027 -1.704 18053 7400 1 12 . 1 1 25 25 SER HA H 455 4.672 4.672 4.922 -0.250 18053 7401 1 12 . 1 1 25 25 SER C C 455 174.426 174.426 173.236 1.190 18053 7402 1 12 . 1 1 25 25 SER CA C 455 55.268 55.268 56.782 -1.514 18053 7403 1 12 . 1 1 25 25 SER CB C 455 65.162 65.162 66.310 -1.148 18053 7404 1 12 . 1 1 25 25 SER H H 455 9.065 9.065 9.014 0.051 18053 7405 1 12 . 1 1 26 26 ILE N N 456 119.468 119.468 121.914 -2.446 18053 7406 1 12 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.261 -0.081 18053 7407 1 12 . 1 1 26 26 ILE C C 456 175.506 175.506 175.895 -0.389 18053 7408 1 12 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.406 -0.078 18053 7409 1 12 . 1 1 26 26 ILE CB C 456 37.962 37.962 38.163 -0.201 18053 7410 1 12 . 1 1 26 26 ILE H H 456 8.295 8.295 8.574 -0.279 18053 7411 1 12 . 1 1 27 27 GLU N N 457 129.726 129.726 129.110 0.616 18053 7412 1 12 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.298 -0.070 18053 7413 1 12 . 1 1 27 27 GLU C C 457 175.179 175.179 176.219 -1.040 18053 7414 1 12 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.308 -1.876 18053 7415 1 12 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.823 -0.681 18053 7416 1 12 . 1 1 27 27 GLU H H 457 8.393 8.393 8.622 -0.229 18053 7417 1 12 . 1 1 28 28 GLU N N 458 117.076 117.076 117.211 -0.135 18053 7418 1 12 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.564 -0.396 18053 7419 1 12 . 1 1 28 28 GLU C C 458 174.701 174.701 175.060 -0.359 18053 7420 1 12 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.479 1.427 18053 7421 1 12 . 1 1 28 28 GLU CB C 458 31.848 31.848 32.881 -1.033 18053 7422 1 12 . 1 1 28 28 GLU H H 458 7.489 7.489 7.737 -0.248 18053 7423 1 12 . 1 1 29 29 ILE N N 459 122.183 122.183 121.695 0.488 18053 7424 1 12 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.105 -0.341 18053 7425 1 12 . 1 1 29 29 ILE C C 459 174.169 174.169 174.230 -0.061 18053 7426 1 12 . 1 1 29 29 ILE CA C 459 59.526 59.526 60.082 -0.556 18053 7427 1 12 . 1 1 29 29 ILE CB C 459 40.309 40.309 40.612 -0.303 18053 7428 1 12 . 1 1 29 29 ILE H H 459 8.126 8.126 8.534 -0.408 18053 7429 1 12 . 1 1 30 30 ASP N N 460 123.205 123.205 125.468 -2.263 18053 7430 1 12 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.361 -0.178 18053 7431 1 12 . 1 1 30 30 ASP C C 460 178.318 178.318 177.123 1.195 18053 7432 1 12 . 1 1 30 30 ASP CA C 460 53.930 53.930 52.715 1.215 18053 7433 1 12 . 1 1 30 30 ASP CB C 460 42.807 42.807 41.865 0.942 18053 7434 1 12 . 1 1 30 30 ASP H H 460 6.704 6.704 7.536 -0.832 18053 7435 1 12 . 1 1 31 31 LEU N N 461 128.551 128.551 123.482 5.069 18053 7436 1 12 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.220 -0.156 18053 7437 1 12 . 1 1 31 31 LEU C C 461 177.513 177.513 178.043 -0.530 18053 7438 1 12 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.580 0.544 18053 7439 1 12 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.568 -0.331 18053 7440 1 12 . 1 1 31 31 LEU H H 461 9.012 9.012 8.402 0.610 18053 7441 1 12 . 1 1 32 32 GLU N N 462 115.101 115.101 120.342 -5.241 18053 7442 1 12 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.150 0.133 18053 7443 1 12 . 1 1 32 32 GLU C C 462 177.062 177.062 177.394 -0.332 18053 7444 1 12 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.468 -1.709 18053 7445 1 12 . 1 1 32 32 GLU CB C 462 29.569 29.569 29.293 0.276 18053 7446 1 12 . 1 1 32 32 GLU H H 462 7.588 7.588 7.846 -0.258 18053 7447 1 12 . 1 1 33 33 GLY N N 463 106.299 106.299 105.103 1.196 18053 7448 1 12 . 1 1 33 33 GLY C C 463 174.824 174.824 175.410 -0.586 18053 7449 1 12 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.350 1.456 18053 7450 1 12 . 1 1 33 33 GLY H H 463 7.372 7.372 8.350 -0.978 18053 7451 1 12 . 1 1 34 34 LYS N N 464 118.744 118.744 119.039 -0.295 18053 7452 1 12 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.379 0.183 18053 7453 1 12 . 1 1 34 34 LYS C C 464 177.076 177.076 174.877 2.199 18053 7454 1 12 . 1 1 34 34 LYS CA C 464 59.963 59.963 58.037 1.926 18053 7455 1 12 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.483 -0.372 18053 7456 1 12 . 1 1 34 34 LYS H H 464 9.547 9.547 8.368 1.179 18053 7457 1 12 . 1 1 35 35 PHE N N 465 109.125 109.125 111.829 -2.704 18053 7458 1 12 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.863 0.651 18053 7459 1 12 . 1 1 35 35 PHE C C 465 174.183 174.183 172.676 1.507 18053 7460 1 12 . 1 1 35 35 PHE CA C 465 56.632 56.632 54.867 1.765 18053 7461 1 12 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.194 -0.595 18053 7462 1 12 . 1 1 35 35 PHE H H 465 6.740 6.740 6.815 -0.075 18053 7463 1 12 . 1 1 36 36 VAL N N 466 119.579 119.579 119.358 0.221 18053 7464 1 12 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.076 -0.367 18053 7465 1 12 . 1 1 36 36 VAL C C 466 172.668 172.668 174.264 -1.596 18053 7466 1 12 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.136 1.556 18053 7467 1 12 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.577 1.638 18053 7468 1 12 . 1 1 36 36 VAL H H 466 7.628 7.628 8.178 -0.550 18053 7469 1 12 . 1 1 37 37 GLN N N 467 126.831 126.831 127.430 -0.599 18053 7470 1 12 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.830 0.619 18053 7471 1 12 . 1 1 37 37 GLN C C 467 174.797 174.797 174.882 -0.085 18053 7472 1 12 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.809 -0.689 18053 7473 1 12 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.673 4.950 18053 7474 1 12 . 1 1 37 37 GLN H H 467 8.392 8.392 8.416 -0.024 18053 7475 1 12 . 1 1 38 38 LEU N N 468 123.018 123.018 127.217 -4.199 18053 7476 1 12 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.131 0.291 18053 7477 1 12 . 1 1 38 38 LEU C C 468 175.588 175.588 176.122 -0.534 18053 7478 1 12 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.683 -0.981 18053 7479 1 12 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.652 0.394 18053 7480 1 12 . 1 1 38 38 LEU H H 468 9.103 9.103 8.827 0.276 18053 7481 1 12 . 1 1 39 39 LYS N N 469 118.983 118.983 120.009 -1.026 18053 7482 1 12 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.895 -0.043 18053 7483 1 12 . 1 1 39 39 LYS C C 469 173.309 173.309 174.348 -1.039 18053 7484 1 12 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.693 0.301 18053 7485 1 12 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.502 1.744 18053 7486 1 12 . 1 1 39 39 LYS H H 469 8.496 8.496 8.705 -0.209 18053 7487 1 12 . 1 1 40 40 ASN N N 470 121.758 121.758 124.793 -3.035 18053 7488 1 12 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.988 -0.200 18053 7489 1 12 . 1 1 40 40 ASN C C 470 174.496 174.496 175.574 -1.078 18053 7490 1 12 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.293 -1.174 18053 7491 1 12 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.181 -1.622 18053 7492 1 12 . 1 1 40 40 ASN H H 470 8.283 8.283 8.644 -0.361 18053 7493 1 12 . 1 1 41 41 ASN N N 471 122.422 122.422 124.706 -2.284 18053 7494 1 12 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.691 -0.103 18053 7495 1 12 . 1 1 41 41 ASN C C 471 174.810 174.810 175.803 -0.993 18053 7496 1 12 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.946 0.039 18053 7497 1 12 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.848 0.752 18053 7498 1 12 . 1 1 41 41 ASN H H 471 8.681 8.681 8.541 0.140 18053 7499 1 12 . 1 1 42 42 SER N N 472 116.446 116.446 116.173 0.273 18053 7500 1 12 . 1 1 42 42 SER HA H 472 4.719 4.719 4.411 0.308 18053 7501 1 12 . 1 1 42 42 SER C C 472 172.804 172.804 174.651 -1.847 18053 7502 1 12 . 1 1 42 42 SER CA C 472 57.288 57.288 58.385 -1.097 18053 7503 1 12 . 1 1 42 42 SER CB C 472 66.241 66.241 64.651 1.590 18053 7504 1 12 . 1 1 42 42 SER H H 472 8.370 8.370 7.754 0.616 18053 7505 1 12 . 1 1 43 43 ASP N N 473 117.706 117.706 119.196 -1.490 18053 7506 1 12 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.553 -0.079 18053 7507 1 12 . 1 1 43 43 ASP C C 473 175.343 175.343 175.398 -0.055 18053 7508 1 12 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.257 -1.736 18053 7509 1 12 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.052 -0.730 18053 7510 1 12 . 1 1 43 43 ASP H H 473 8.254 8.254 8.668 -0.414 18053 7511 1 12 . 1 1 44 44 LYS N N 474 120.209 120.209 117.309 2.900 18053 7512 1 12 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.380 0.189 18053 7513 1 12 . 1 1 44 44 LYS C C 474 175.397 175.397 174.397 1.000 18053 7514 1 12 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.642 -0.630 18053 7515 1 12 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.000 1.383 18053 7516 1 12 . 1 1 44 44 LYS H H 474 8.305 8.305 7.331 0.974 18053 7517 1 12 . 1 1 45 45 ASP N N 475 124.993 124.993 118.065 6.928 18053 7518 1 12 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.525 -0.550 18053 7519 1 12 . 1 1 45 45 ASP C C 475 174.810 174.810 175.699 -0.889 18053 7520 1 12 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.077 0.918 18053 7521 1 12 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.788 -0.424 18053 7522 1 12 . 1 1 45 45 ASP H H 475 8.722 8.722 8.294 0.428 18053 7523 1 12 . 1 1 46 46 GLN N N 476 120.549 120.549 123.828 -3.279 18053 7524 1 12 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.540 -0.104 18053 7525 1 12 . 1 1 46 46 GLN C C 476 174.019 174.019 175.152 -1.133 18053 7526 1 12 . 1 1 46 46 GLN CA C 476 53.138 53.138 53.787 -0.649 18053 7527 1 12 . 1 1 46 46 GLN CB C 476 31.466 31.466 31.038 0.428 18053 7528 1 12 . 1 1 46 46 GLN H H 476 7.878 7.878 8.470 -0.593 18053 7529 1 12 . 1 1 47 47 SER N N 477 121.537 121.537 120.748 0.789 18053 7530 1 12 . 1 1 47 47 SER HA H 477 4.229 4.229 4.181 0.048 18053 7531 1 12 . 1 1 47 47 SER C C 477 174.565 174.565 173.357 1.208 18053 7532 1 12 . 1 1 47 47 SER CA C 477 58.706 58.706 58.724 -0.018 18053 7533 1 12 . 1 1 47 47 SER CB C 477 62.965 62.965 63.455 -0.490 18053 7534 1 12 . 1 1 47 47 SER H H 477 8.748 8.748 8.655 0.093 18053 7535 1 12 . 1 1 48 48 LEU N N 478 127.751 127.751 124.712 3.039 18053 7536 1 12 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.294 -1.663 18053 7537 1 12 . 1 1 48 48 LEU C C 478 176.789 176.789 175.851 0.938 18053 7538 1 12 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.838 -1.736 18053 7539 1 12 . 1 1 48 48 LEU CB C 478 42.343 42.343 44.612 -2.269 18053 7540 1 12 . 1 1 48 48 LEU H H 478 7.856 7.856 8.119 -0.263 18053 7541 1 12 . 1 1 49 49 GLY N N 479 107.525 107.525 109.395 -1.870 18053 7542 1 12 . 1 1 49 49 GLY C C 479 176.653 176.653 175.321 1.332 18053 7543 1 12 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.965 2.097 18053 7544 1 12 . 1 1 49 49 GLY H H 479 7.728 7.728 8.781 -1.053 18053 7545 1 12 . 1 1 50 50 ASN N N 480 117.059 117.059 119.592 -2.533 18053 7546 1 12 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.620 -0.365 18053 7547 1 12 . 1 1 50 50 ASN C C 480 174.961 174.961 174.882 0.079 18053 7548 1 12 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.165 2.195 18053 7549 1 12 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.756 -1.340 18053 7550 1 12 . 1 1 50 50 ASN H H 480 7.552 7.552 8.597 -1.045 18053 7551 1 12 . 1 1 51 51 TRP N N 481 122.166 122.166 118.934 3.232 18053 7552 1 12 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.915 -0.438 18053 7553 1 12 . 1 1 51 51 TRP C C 481 175.575 175.575 175.847 -0.272 18053 7554 1 12 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.536 1.226 18053 7555 1 12 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.374 -2.333 18053 7556 1 12 . 1 1 51 51 TRP H H 481 8.914 8.914 8.107 0.807 18053 7557 1 12 . 1 1 52 52 ARG N N 482 116.480 116.480 116.259 0.221 18053 7558 1 12 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.232 0.736 18053 7559 1 12 . 1 1 52 52 ARG C C 482 175.807 175.807 174.895 0.912 18053 7560 1 12 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.512 -1.391 18053 7561 1 12 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.549 1.575 18053 7562 1 12 . 1 1 52 52 ARG H H 482 9.147 9.147 9.141 0.006 18053 7563 1 12 . 1 1 53 53 ILE N N 483 119.579 119.579 125.476 -5.897 18053 7564 1 12 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.819 0.166 18053 7565 1 12 . 1 1 53 53 ILE C C 483 175.670 175.670 175.796 -0.126 18053 7566 1 12 . 1 1 53 53 ILE CA C 483 60.400 60.400 61.122 -0.722 18053 7567 1 12 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.574 1.653 18053 7568 1 12 . 1 1 53 53 ILE H H 483 9.000 9.000 8.898 0.102 18053 7569 1 12 . 1 1 54 54 LYS N N 484 124.737 124.737 127.817 -3.080 18053 7570 1 12 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.136 0.327 18053 7571 1 12 . 1 1 54 54 LYS C C 484 175.575 175.575 176.080 -0.505 18053 7572 1 12 . 1 1 54 54 LYS CA C 484 54.613 54.613 55.809 -1.196 18053 7573 1 12 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.126 0.915 18053 7574 1 12 . 1 1 54 54 LYS H H 484 9.678 9.678 8.488 1.190 18053 7575 1 12 . 1 1 55 55 ARG N N 485 124.090 124.090 123.520 0.570 18053 7576 1 12 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.648 0.877 18053 7577 1 12 . 1 1 55 55 ARG C C 485 174.155 174.155 174.637 -0.482 18053 7578 1 12 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.325 -1.422 18053 7579 1 12 . 1 1 55 55 ARG H H 485 9.314 9.314 8.760 0.554 18053 7580 1 12 . 1 1 56 56 GLN N N 486 126.576 126.576 128.468 -1.892 18053 7581 1 12 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.595 0.247 18053 7582 1 12 . 1 1 56 56 GLN C C 486 174.991 174.991 174.627 0.364 18053 7583 1 12 . 1 1 56 56 GLN CA C 486 54.831 54.831 55.080 -0.249 18053 7584 1 12 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.635 1.830 18053 7585 1 12 . 1 1 56 56 GLN H H 486 8.831 8.831 8.507 0.324 18053 7586 1 12 . 1 1 57 57 VAL N N 487 126.712 126.712 125.081 1.631 18053 7587 1 12 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.033 0.233 18053 7588 1 12 . 1 1 57 57 VAL C C 487 175.916 175.916 177.870 -1.954 18053 7589 1 12 . 1 1 57 57 VAL CA C 487 61.820 61.820 63.222 -1.402 18053 7590 1 12 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.466 0.337 18053 7591 1 12 . 1 1 57 57 VAL H H 487 8.786 8.786 8.180 0.606 18053 7592 1 12 . 1 1 58 58 LEU N N 488 127.274 127.274 122.905 4.369 18053 7593 1 12 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.117 -0.032 18053 7594 1 12 . 1 1 58 58 LEU C C 488 177.158 177.158 178.092 -0.934 18053 7595 1 12 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.097 -1.192 18053 7596 1 12 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.569 -0.195 18053 7597 1 12 . 1 1 58 58 LEU H H 488 8.316 8.316 8.540 -0.224 18053 7598 1 12 . 1 1 59 59 GLU N N 489 119.647 119.647 117.929 1.718 18053 7599 1 12 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.283 -0.171 18053 7600 1 12 . 1 1 59 59 GLU C C 489 176.230 176.230 177.395 -1.165 18053 7601 1 12 . 1 1 59 59 GLU CA C 489 57.015 57.015 55.859 1.156 18053 7602 1 12 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.387 -1.238 18053 7603 1 12 . 1 1 59 59 GLU H H 489 8.636 8.636 8.120 0.516 18053 7604 1 12 . 1 1 60 60 GLY N N 490 108.819 108.819 108.531 0.288 18053 7605 1 12 . 1 1 60 60 GLY C C 490 173.568 173.568 174.082 -0.514 18053 7606 1 12 . 1 1 60 60 GLY CA C 490 44.773 44.773 45.441 -0.668 18053 7607 1 12 . 1 1 60 60 GLY H H 490 8.160 8.160 7.906 0.254 18053 7608 1 12 . 1 1 61 61 GLU N N 491 121.009 121.009 122.286 -1.277 18053 7609 1 12 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.278 0.045 18053 7610 1 12 . 1 1 61 61 GLU C C 491 175.725 175.725 175.833 -0.108 18053 7611 1 12 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.283 -0.087 18053 7612 1 12 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.212 1.653 18053 7613 1 12 . 1 1 61 61 GLU H H 491 8.320 8.320 8.545 -0.225 18053 7614 1 12 . 1 1 62 62 GLU N N 492 123.426 123.426 124.710 -1.284 18053 7615 1 12 . 1 1 62 62 GLU HA H 492 5.054 5.054 4.976 0.078 18053 7616 1 12 . 1 1 62 62 GLU C C 492 175.930 175.930 176.513 -0.583 18053 7617 1 12 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.914 0.736 18053 7618 1 12 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.015 2.297 18053 7619 1 12 . 1 1 62 62 GLU H H 492 8.594 8.594 8.353 0.241 18053 7620 1 12 . 1 1 63 63 ILE N N 493 119.732 119.732 119.956 -0.224 18053 7621 1 12 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.566 0.222 18053 7622 1 12 . 1 1 63 63 ILE C C 493 174.647 174.647 174.878 -0.231 18053 7623 1 12 . 1 1 63 63 ILE CA C 493 60.181 60.181 60.409 -0.228 18053 7624 1 12 . 1 1 63 63 ILE CB C 493 41.183 41.183 39.712 1.471 18053 7625 1 12 . 1 1 63 63 ILE H H 493 8.523 8.523 7.916 0.607 18053 7626 1 12 . 1 1 64 64 ALA N N 494 122.166 122.166 126.584 -4.418 18053 7627 1 12 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.967 0.554 18053 7628 1 12 . 1 1 64 64 ALA C C 494 174.606 174.606 175.970 -1.364 18053 7629 1 12 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.385 1.143 18053 7630 1 12 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.434 1.805 18053 7631 1 12 . 1 1 64 64 ALA H H 494 8.741 8.741 8.245 0.496 18053 7632 1 12 . 1 1 65 65 TYR N N 495 126.729 126.729 126.996 -0.267 18053 7633 1 12 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.274 -0.180 18053 7634 1 12 . 1 1 65 65 TYR C C 495 173.036 173.036 173.484 -0.448 18053 7635 1 12 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.484 0.420 18053 7636 1 12 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.609 1.660 18053 7637 1 12 . 1 1 65 65 TYR H H 495 8.462 8.462 8.395 0.067 18053 7638 1 12 . 1 1 66 66 LYS N N 496 128.108 128.108 126.551 1.557 18053 7639 1 12 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.353 0.469 18053 7640 1 12 . 1 1 66 66 LYS C C 496 174.906 174.906 174.695 0.211 18053 7641 1 12 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.843 -1.103 18053 7642 1 12 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.903 0.880 18053 7643 1 12 . 1 1 66 66 LYS H H 496 7.010 7.010 7.196 -0.186 18053 7644 1 12 . 1 1 67 67 PHE N N 497 125.299 125.299 121.521 3.778 18053 7645 1 12 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.308 -0.376 18053 7646 1 12 . 1 1 67 67 PHE C C 497 177.990 177.990 175.531 2.459 18053 7647 1 12 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.225 1.782 18053 7648 1 12 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.811 0.170 18053 7649 1 12 . 1 1 67 67 PHE H H 497 8.509 8.509 8.004 0.505 18053 7650 1 12 . 1 1 68 68 THR N N 498 116.191 116.191 111.564 4.627 18053 7651 1 12 . 1 1 68 68 THR HA H 498 4.417 4.417 4.671 -0.254 18053 7652 1 12 . 1 1 68 68 THR CA C 498 60.855 60.855 59.192 1.663 18053 7653 1 12 . 1 1 68 68 THR CB C 498 68.019 68.019 69.526 -1.507 18053 7654 1 12 . 1 1 68 68 THR H H 498 8.688 8.688 8.306 0.382 18053 7655 1 12 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.514 -0.566 18053 7656 1 12 . 1 1 69 69 PRO C C 499 177.444 177.444 177.024 0.420 18053 7657 1 12 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.835 1.242 18053 7658 1 12 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.902 0.874 18053 7659 1 12 . 1 1 70 70 LYS N N 500 113.552 113.552 115.508 -1.956 18053 7660 1 12 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.160 0.225 18053 7661 1 12 . 1 1 70 70 LYS C C 500 176.325 176.325 176.666 -0.341 18053 7662 1 12 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.744 -1.749 18053 7663 1 12 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.813 -0.020 18053 7664 1 12 . 1 1 70 70 LYS H H 500 8.016 8.016 7.866 0.150 18053 7665 1 12 . 1 1 71 71 TYR N N 501 121.860 121.860 121.579 0.281 18053 7666 1 12 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.376 -0.646 18053 7667 1 12 . 1 1 71 71 TYR C C 501 174.838 174.838 174.158 0.680 18053 7668 1 12 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.429 2.881 18053 7669 1 12 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.674 -0.893 18053 7670 1 12 . 1 1 71 71 TYR H H 501 7.460 7.460 7.753 -0.293 18053 7671 1 12 . 1 1 72 72 ILE N N 502 129.487 129.487 125.542 3.945 18053 7672 1 12 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.398 -0.470 18053 7673 1 12 . 1 1 72 72 ILE C C 502 172.968 172.968 173.992 -1.024 18053 7674 1 12 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.332 -0.024 18053 7675 1 12 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.760 -0.850 18053 7676 1 12 . 1 1 72 72 ILE H H 502 7.168 7.168 7.374 -0.206 18053 7677 1 12 . 1 1 73 73 LEU N N 503 128.278 128.278 127.754 0.524 18053 7678 1 12 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.535 -0.042 18053 7679 1 12 . 1 1 73 73 LEU C C 503 175.834 175.834 175.420 0.414 18053 7680 1 12 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.243 -1.278 18053 7681 1 12 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.947 -1.399 18053 7682 1 12 . 1 1 73 73 LEU H H 503 8.483 8.483 8.524 -0.041 18053 7683 1 12 . 1 1 74 74 ARG N N 504 129.589 129.589 125.035 4.554 18053 7684 1 12 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.179 -0.436 18053 7685 1 12 . 1 1 74 74 ARG C C 504 175.233 175.233 175.525 -0.292 18053 7686 1 12 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.518 1.333 18053 7687 1 12 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.983 -0.692 18053 7688 1 12 . 1 1 74 74 ARG H H 504 8.673 8.673 8.453 0.220 18053 7689 1 12 . 1 1 75 75 ALA N N 505 123.205 123.205 122.838 0.367 18053 7690 1 12 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.133 -0.611 18053 7691 1 12 . 1 1 75 75 ALA C C 505 178.441 178.441 178.101 0.340 18053 7692 1 12 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.335 0.459 18053 7693 1 12 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.246 0.664 18053 7694 1 12 . 1 1 75 75 ALA H H 505 8.564 8.564 8.449 0.115 18053 7695 1 12 . 1 1 76 76 GLY N N 506 112.241 112.241 114.490 -2.249 18053 7696 1 12 . 1 1 76 76 GLY C C 506 174.278 174.278 174.874 -0.596 18053 7697 1 12 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.406 1.319 18053 7698 1 12 . 1 1 76 76 GLY H H 506 7.381 7.381 8.501 -1.120 18053 7699 1 12 . 1 1 77 77 GLN N N 507 117.382 117.382 119.928 -2.546 18053 7700 1 12 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.411 -0.047 18053 7701 1 12 . 1 1 77 77 GLN C C 507 173.937 173.937 175.398 -1.461 18053 7702 1 12 . 1 1 77 77 GLN CA C 507 54.558 54.558 55.514 -0.956 18053 7703 1 12 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.953 0.120 18053 7704 1 12 . 1 1 77 77 GLN H H 507 7.996 7.996 7.591 0.405 18053 7705 1 12 . 1 1 78 78 MET N N 508 116.957 116.957 121.022 -4.065 18053 7706 1 12 . 1 1 78 78 MET HA H 508 5.388 5.388 5.092 0.296 18053 7707 1 12 . 1 1 78 78 MET C C 508 175.807 175.807 175.151 0.656 18053 7708 1 12 . 1 1 78 78 MET CA C 508 54.067 54.067 54.491 -0.424 18053 7709 1 12 . 1 1 78 78 MET CB C 508 37.198 37.198 35.819 1.379 18053 7710 1 12 . 1 1 78 78 MET H H 508 8.092 8.092 8.418 -0.326 18053 7711 1 12 . 1 1 79 79 VAL N N 509 119.340 119.340 125.748 -6.408 18053 7712 1 12 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.721 0.235 18053 7713 1 12 . 1 1 79 79 VAL C C 509 172.217 172.217 174.595 -2.378 18053 7714 1 12 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.215 -0.744 18053 7715 1 12 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.368 -0.692 18053 7716 1 12 . 1 1 79 79 VAL H H 509 8.534 8.534 8.443 0.091 18053 7717 1 12 . 1 1 80 80 THR N N 510 124.533 124.533 126.894 -2.361 18053 7718 1 12 . 1 1 80 80 THR HA H 510 4.586 4.586 4.522 0.064 18053 7719 1 12 . 1 1 80 80 THR C C 510 172.215 172.215 174.031 -1.816 18053 7720 1 12 . 1 1 80 80 THR CA C 510 62.119 62.119 62.365 -0.246 18053 7721 1 12 . 1 1 80 80 THR CB C 510 69.407 69.407 68.751 0.656 18053 7722 1 12 . 1 1 80 80 THR H H 510 8.301 8.301 8.620 -0.319 18053 7723 1 12 . 1 1 81 81 VAL N N 511 127.002 127.002 128.444 -1.442 18053 7724 1 12 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.546 0.050 18053 7725 1 12 . 1 1 81 81 VAL C C 511 176.667 176.667 175.401 1.266 18053 7726 1 12 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.778 -1.396 18053 7727 1 12 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.004 -0.059 18053 7728 1 12 . 1 1 81 81 VAL H H 511 8.796 8.796 8.353 0.443 18053 7729 1 12 . 1 1 82 82 TRP N N 512 131.479 131.479 129.233 2.246 18053 7730 1 12 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.305 0.033 18053 7731 1 12 . 1 1 82 82 TRP C C 512 176.885 176.885 175.967 0.918 18053 7732 1 12 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.943 -0.501 18053 7733 1 12 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.157 -0.456 18053 7734 1 12 . 1 1 82 82 TRP H H 512 9.924 9.924 9.223 0.701 18053 7735 1 12 . 1 1 83 83 ALA N N 513 123.954 123.954 120.905 3.049 18053 7736 1 12 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.946 -0.638 18053 7737 1 12 . 1 1 83 83 ALA C C 513 178.140 178.140 176.895 1.245 18053 7738 1 12 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.697 1.514 18053 7739 1 12 . 1 1 83 83 ALA CB C 513 18.745 18.745 21.071 -2.326 18053 7740 1 12 . 1 1 83 83 ALA H H 513 9.048 9.048 8.359 0.689 18053 7741 1 12 . 1 1 84 84 ALA N N 514 125.146 125.146 122.275 2.871 18053 7742 1 12 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.156 -0.205 18053 7743 1 12 . 1 1 84 84 ALA C C 514 179.519 179.519 179.412 0.107 18053 7744 1 12 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.846 -0.042 18053 7745 1 12 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.273 -0.691 18053 7746 1 12 . 1 1 84 84 ALA H H 514 8.341 8.341 8.147 0.194 18053 7747 1 12 . 1 1 85 85 GLY N N 515 103.388 103.388 104.308 -0.920 18053 7748 1 12 . 1 1 85 85 GLY C C 515 174.674 174.674 174.670 0.004 18053 7749 1 12 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.703 1.175 18053 7750 1 12 . 1 1 85 85 GLY H H 515 7.996 7.996 7.794 0.202 18053 7751 1 12 . 1 1 86 86 ALA N N 516 120.140 120.140 122.328 -2.188 18053 7752 1 12 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.455 -0.111 18053 7753 1 12 . 1 1 86 86 ALA C C 516 177.690 177.690 178.333 -0.643 18053 7754 1 12 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.192 0.947 18053 7755 1 12 . 1 1 86 86 ALA CB C 516 20.547 20.547 18.576 1.971 18053 7756 1 12 . 1 1 86 86 ALA H H 516 7.474 7.474 7.174 0.300 18053 7757 1 12 . 1 1 87 87 GLY N N 517 105.720 105.720 107.574 -1.854 18053 7758 1 12 . 1 1 87 87 GLY C C 517 173.650 173.650 174.079 -0.429 18053 7759 1 12 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.459 0.555 18053 7760 1 12 . 1 1 87 87 GLY H H 517 7.779 7.779 8.084 -0.305 18053 7761 1 12 . 1 1 88 88 VAL N N 518 121.537 121.537 118.192 3.345 18053 7762 1 12 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.155 -0.570 18053 7763 1 12 . 1 1 88 88 VAL C C 518 174.851 174.851 174.490 0.361 18053 7764 1 12 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.738 0.536 18053 7765 1 12 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.263 0.113 18053 7766 1 12 . 1 1 88 88 VAL H H 518 7.499 7.499 7.608 -0.109 18053 7767 1 12 . 1 1 89 89 ALA N N 519 128.295 128.295 129.901 -1.606 18053 7768 1 12 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.407 -0.215 18053 7769 1 12 . 1 1 89 89 ALA C C 519 176.680 176.680 176.684 -0.004 18053 7770 1 12 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.572 -0.289 18053 7771 1 12 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.529 -0.237 18053 7772 1 12 . 1 1 89 89 ALA H H 519 7.960 7.960 8.220 -0.260 18053 7773 1 12 . 1 1 90 90 HIS N N 520 122.643 122.643 123.136 -0.493 18053 7774 1 12 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.406 -0.373 18053 7775 1 12 . 1 1 90 90 HIS C C 520 175.793 175.793 174.477 1.316 18053 7776 1 12 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.304 2.349 18053 7777 1 12 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.740 2.545 18053 7778 1 12 . 1 1 90 90 HIS H H 520 8.394 8.394 8.828 -0.434 18053 7779 1 12 . 1 1 91 91 SER N N 521 121.247 121.247 123.789 -2.542 18053 7780 1 12 . 1 1 91 91 SER HA H 521 4.629 4.629 4.721 -0.092 18053 7781 1 12 . 1 1 91 91 SER CA C 521 55.843 55.843 55.819 0.024 18053 7782 1 12 . 1 1 91 91 SER CB C 521 62.367 62.367 63.486 -1.119 18053 7783 1 12 . 1 1 91 91 SER H H 521 8.569 8.569 8.278 0.291 18053 7784 1 12 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.807 -0.805 18053 7785 1 12 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.403 -0.159 18053 7786 1 12 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.465 -0.534 18053 7787 1 12 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.990 -0.318 18053 7788 1 12 . 1 1 93 93 PRO C C 523 177.786 177.786 177.353 0.433 18053 7789 1 12 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.460 0.543 18053 7790 1 12 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.653 2.252 18053 7791 1 12 . 1 1 94 94 SER N N 524 117.212 117.212 116.146 1.066 18053 7792 1 12 . 1 1 94 94 SER HA H 524 4.678 4.678 4.623 0.055 18053 7793 1 12 . 1 1 94 94 SER C C 524 174.851 174.851 174.150 0.701 18053 7794 1 12 . 1 1 94 94 SER CA C 524 61.874 61.874 60.036 1.838 18053 7795 1 12 . 1 1 94 94 SER CB C 524 64.057 64.057 64.177 -0.120 18053 7796 1 12 . 1 1 94 94 SER H H 524 8.463 8.463 7.832 0.631 18053 7797 1 12 . 1 1 95 95 THR N N 525 121.588 121.588 118.311 3.277 18053 7798 1 12 . 1 1 95 95 THR HA H 525 4.859 4.859 5.092 -0.233 18053 7799 1 12 . 1 1 95 95 THR C C 525 172.094 172.094 172.875 -0.781 18053 7800 1 12 . 1 1 95 95 THR CA C 525 62.309 62.309 61.955 0.354 18053 7801 1 12 . 1 1 95 95 THR CB C 525 70.281 70.281 70.318 -0.037 18053 7802 1 12 . 1 1 95 95 THR H H 525 7.631 7.631 7.962 -0.331 18053 7803 1 12 . 1 1 96 96 LEU N N 526 127.274 127.274 128.366 -1.092 18053 7804 1 12 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.062 0.069 18053 7805 1 12 . 1 1 96 96 LEU C C 526 175.916 175.916 175.370 0.546 18053 7806 1 12 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.954 -1.879 18053 7807 1 12 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.729 0.061 18053 7808 1 12 . 1 1 96 96 LEU H H 526 8.977 8.977 8.446 0.531 18053 7809 1 12 . 1 1 97 97 VAL N N 527 124.056 124.056 120.444 3.612 18053 7810 1 12 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.653 0.216 18053 7811 1 12 . 1 1 97 97 VAL C C 527 176.230 176.230 175.549 0.681 18053 7812 1 12 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.867 0.652 18053 7813 1 12 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.332 0.372 18053 7814 1 12 . 1 1 97 97 VAL H H 527 10.724 10.724 8.228 2.496 18053 7815 1 12 . 1 1 98 98 TRP N N 528 132.586 132.586 131.352 1.234 18053 7816 1 12 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.606 0.359 18053 7817 1 12 . 1 1 98 98 TRP C C 528 173.391 173.391 174.443 -1.052 18053 7818 1 12 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.172 -1.869 18053 7819 1 12 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.848 -0.602 18053 7820 1 12 . 1 1 98 98 TRP H H 528 9.400 9.400 9.107 0.293 18053 7821 1 12 . 1 1 99 99 LYS N N 529 126.644 126.644 128.489 -1.845 18053 7822 1 12 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.180 -0.341 18053 7823 1 12 . 1 1 99 99 LYS C C 529 177.581 177.581 177.448 0.133 18053 7824 1 12 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.618 0.925 18053 7825 1 12 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.959 -0.783 18053 7826 1 12 . 1 1 99 99 LYS H H 529 8.153 8.153 8.082 0.071 18053 7827 1 12 . 1 1 100 100 GLY N N 530 110.385 110.385 112.143 -1.758 18053 7828 1 12 . 1 1 100 100 GLY C C 530 172.367 172.367 173.641 -1.274 18053 7829 1 12 . 1 1 100 100 GLY CA C 530 45.278 45.278 45.017 0.261 18053 7830 1 12 . 1 1 100 100 GLY H H 530 8.363 8.363 8.599 -0.236 18053 7831 1 12 . 1 1 101 101 GLN N N 531 121.162 121.162 120.377 0.785 18053 7832 1 12 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.248 -0.276 18053 7833 1 12 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.947 -1.327 18053 7834 1 12 . 1 1 101 101 GLN CB C 531 27.595 27.595 29.077 -1.482 18053 7835 1 12 . 1 1 101 101 GLN H H 531 6.815 6.815 7.264 -0.449 18053 7836 1 12 . 1 1 102 102 SER N N 532 122.728 122.728 123.185 -0.457 18053 7837 1 12 . 1 1 102 102 SER HA H 532 3.866 3.866 4.388 -0.522 18053 7838 1 12 . 1 1 102 102 SER C C 532 174.537 174.537 175.130 -0.593 18053 7839 1 12 . 1 1 102 102 SER CA C 532 61.983 61.983 60.930 1.053 18053 7840 1 12 . 1 1 102 102 SER CB C 532 62.802 62.802 63.130 -0.329 18053 7841 1 12 . 1 1 102 102 SER H H 532 8.662 8.662 8.749 -0.087 18053 7842 1 12 . 1 1 103 103 SER N N 533 110.811 110.811 113.346 -2.535 18053 7843 1 12 . 1 1 103 103 SER HA H 533 4.240 4.240 4.702 -0.462 18053 7844 1 12 . 1 1 103 103 SER C C 533 174.087 174.087 174.398 -0.311 18053 7845 1 12 . 1 1 103 103 SER CA C 533 56.633 56.633 57.726 -1.093 18053 7846 1 12 . 1 1 103 103 SER CB C 533 64.658 64.658 63.437 1.221 18053 7847 1 12 . 1 1 103 103 SER H H 533 7.134 7.134 7.772 -0.638 18053 7848 1 12 . 1 1 104 104 TRP N N 534 126.133 126.133 120.245 5.888 18053 7849 1 12 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.130 -0.032 18053 7850 1 12 . 1 1 104 104 TRP C C 534 176.066 176.066 175.634 0.432 18053 7851 1 12 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.059 2.068 18053 7852 1 12 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.461 0.303 18053 7853 1 12 . 1 1 104 104 TRP H H 534 9.764 9.764 8.089 1.675 18053 7854 1 12 . 1 1 105 105 GLY N N 535 105.907 105.907 106.270 -0.363 18053 7855 1 12 . 1 1 105 105 GLY C C 535 172.217 172.217 174.885 -2.668 18053 7856 1 12 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.837 -0.597 18053 7857 1 12 . 1 1 105 105 GLY H H 535 8.095 8.095 7.724 0.371 18053 7858 1 12 . 1 1 106 106 THR N N 536 111.253 111.253 114.324 -3.071 18053 7859 1 12 . 1 1 106 106 THR HA H 536 3.859 3.859 4.243 -0.384 18053 7860 1 12 . 1 1 106 106 THR C C 536 172.872 172.872 174.787 -1.915 18053 7861 1 12 . 1 1 106 106 THR CA C 536 59.635 59.635 63.184 -3.549 18053 7862 1 12 . 1 1 106 106 THR CB C 536 70.526 70.526 69.408 1.118 18053 7863 1 12 . 1 1 106 106 THR H H 536 7.913 7.913 7.634 0.279 18053 7864 1 12 . 1 1 107 107 GLY N N 537 107.712 107.712 112.784 -5.072 18053 7865 1 12 . 1 1 107 107 GLY C C 537 172.709 172.709 173.275 -0.566 18053 7866 1 12 . 1 1 107 107 GLY CA C 537 45.166 45.166 44.264 0.902 18053 7867 1 12 . 1 1 107 107 GLY H H 537 7.533 7.533 8.281 -0.748 18053 7868 1 12 . 1 1 108 108 GLU N N 538 118.864 118.864 120.200 -1.336 18053 7869 1 12 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.150 -0.014 18053 7870 1 12 . 1 1 108 108 GLU C C 538 176.353 176.353 176.311 0.042 18053 7871 1 12 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.164 0.188 18053 7872 1 12 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.439 -0.283 18053 7873 1 12 . 1 1 108 108 GLU H H 538 8.558 8.558 8.622 -0.064 18053 7874 1 12 . 1 1 109 109 SER N N 539 110.419 110.419 114.963 -4.544 18053 7875 1 12 . 1 1 109 109 SER HA H 539 4.963 4.963 4.925 0.038 18053 7876 1 12 . 1 1 109 109 SER C C 539 173.787 173.787 172.898 0.889 18053 7877 1 12 . 1 1 109 109 SER CA C 539 57.125 57.125 57.544 -0.419 18053 7878 1 12 . 1 1 109 109 SER CB C 539 64.439 64.439 64.183 0.256 18053 7879 1 12 . 1 1 109 109 SER H H 539 7.620 7.620 7.801 -0.181 18053 7880 1 12 . 1 1 110 110 PHE N N 540 118.778 118.778 119.814 -1.036 18053 7881 1 12 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.200 -0.119 18053 7882 1 12 . 1 1 110 110 PHE C C 540 176.052 176.052 173.419 2.633 18053 7883 1 12 . 1 1 110 110 PHE CA C 540 56.789 56.789 55.928 0.861 18053 7884 1 12 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.062 -1.302 18053 7885 1 12 . 1 1 110 110 PHE H H 540 8.318 8.318 8.777 -0.459 18053 7886 1 12 . 1 1 112 112 THR HA H 542 5.468 5.468 4.717 0.751 18053 7887 1 12 . 1 1 112 112 THR C C 542 172.381 172.381 173.542 -1.161 18053 7888 1 12 . 1 1 112 112 THR CA C 542 61.818 61.818 63.863 -2.045 18053 7889 1 12 . 1 1 112 112 THR CB C 542 70.990 70.990 69.861 1.129 18053 7890 1 12 . 1 1 113 113 VAL N N 543 124.771 124.771 124.964 -0.193 18053 7891 1 12 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.670 0.194 18053 7892 1 12 . 1 1 113 113 VAL C C 543 173.132 173.132 174.115 -0.983 18053 7893 1 12 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.144 -1.045 18053 7894 1 12 . 1 1 113 113 VAL CB C 543 36.433 36.433 35.728 0.705 18053 7895 1 12 . 1 1 113 113 VAL H H 543 9.380 9.380 8.840 0.540 18053 7896 1 12 . 1 1 114 114 LEU N N 544 128.789 128.789 127.057 1.732 18053 7897 1 12 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.147 0.173 18053 7898 1 12 . 1 1 114 114 LEU C C 544 174.237 174.237 175.012 -0.775 18053 7899 1 12 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.647 -0.453 18053 7900 1 12 . 1 1 114 114 LEU CB C 544 45.879 45.879 45.190 0.689 18053 7901 1 12 . 1 1 114 114 LEU H H 544 8.948 8.948 8.634 0.314 18053 7902 1 12 . 1 1 115 115 VAL N N 545 127.002 127.002 125.727 1.275 18053 7903 1 12 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.745 0.109 18053 7904 1 12 . 1 1 115 115 VAL C C 545 175.206 175.206 174.643 0.563 18053 7905 1 12 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.168 -0.834 18053 7906 1 12 . 1 1 115 115 VAL CB C 545 34.495 34.495 35.736 -1.241 18053 7907 1 12 . 1 1 115 115 VAL H H 545 9.564 9.564 8.875 0.689 18053 7908 1 12 . 1 1 116 116 ASN N N 546 121.179 121.179 120.954 0.225 18053 7909 1 12 . 1 1 116 116 ASN HA H 546 2.897 2.897 4.214 -1.317 18053 7910 1 12 . 1 1 116 116 ASN C C 546 176.885 176.885 175.810 1.075 18053 7911 1 12 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.176 -0.767 18053 7912 1 12 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.506 -2.867 18053 7913 1 12 . 1 1 116 116 ASN H H 546 8.016 8.016 7.817 0.199 18053 7914 1 12 . 1 1 117 117 ALA N N 547 119.834 119.834 122.319 -2.485 18053 7915 1 12 . 1 1 117 117 ALA HA H 547 3.866 3.866 3.992 -0.126 18053 7916 1 12 . 1 1 117 117 ALA C C 547 177.772 177.772 178.417 -0.645 18053 7917 1 12 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.407 0.097 18053 7918 1 12 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.454 -0.254 18053 7919 1 12 . 1 1 117 117 ALA H H 547 6.444 6.444 8.223 -1.779 18053 7920 1 12 . 1 1 118 118 ASP N N 548 115.646 115.646 117.036 -1.390 18053 7921 1 12 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.402 0.242 18053 7922 1 12 . 1 1 118 118 ASP C C 548 176.052 176.052 177.577 -1.525 18053 7923 1 12 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.523 -1.456 18053 7924 1 12 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.422 0.252 18053 7925 1 12 . 1 1 118 118 ASP H H 548 7.181 7.181 7.745 -0.564 18053 7926 1 12 . 1 1 119 119 GLY N N 549 107.167 107.167 106.559 0.608 18053 7927 1 12 . 1 1 119 119 GLY C C 549 173.841 173.841 173.905 -0.064 18053 7928 1 12 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.671 0.784 18053 7929 1 12 . 1 1 119 119 GLY H H 549 7.738 7.738 7.701 0.037 18053 7930 1 12 . 1 1 120 120 GLU N N 550 121.196 121.196 121.123 0.073 18053 7931 1 12 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.149 -0.037 18053 7932 1 12 . 1 1 120 120 GLU C C 550 175.588 175.588 176.300 -0.712 18053 7933 1 12 . 1 1 120 120 GLU CA C 550 54.831 54.831 56.309 -1.478 18053 7934 1 12 . 1 1 120 120 GLU CB C 550 29.937 29.937 29.892 0.045 18053 7935 1 12 . 1 1 120 120 GLU H H 550 7.587 7.587 7.766 -0.179 18053 7936 1 12 . 1 1 121 121 GLU N N 551 123.886 123.886 122.959 0.927 18053 7937 1 12 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.190 0.086 18053 7938 1 12 . 1 1 121 121 GLU C C 551 176.817 176.817 175.812 1.005 18053 7939 1 12 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.133 0.663 18053 7940 1 12 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.481 0.474 18053 7941 1 12 . 1 1 121 121 GLU H H 551 8.697 8.697 8.579 0.118 18053 7942 1 12 . 1 1 122 122 VAL N N 552 120.055 120.055 122.918 -2.863 18053 7943 1 12 . 1 1 122 122 VAL HA H 552 4.364 4.364 3.768 0.596 18053 7944 1 12 . 1 1 122 122 VAL C C 552 175.998 175.998 175.263 0.735 18053 7945 1 12 . 1 1 122 122 VAL CA C 552 61.655 61.655 64.031 -2.376 18053 7946 1 12 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.199 0.850 18053 7947 1 12 . 1 1 122 122 VAL H H 552 8.845 8.845 7.970 0.875 18053 7948 1 12 . 1 1 123 123 ALA N N 553 122.098 122.098 119.154 2.944 18053 7949 1 12 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.649 0.241 18053 7950 1 12 . 1 1 123 123 ALA C C 553 175.261 175.261 174.874 0.387 18053 7951 1 12 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.392 1.365 18053 7952 1 12 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.756 0.511 18053 7953 1 12 . 1 1 123 123 ALA H H 553 7.788 7.788 7.852 -0.064 18053 7954 1 12 . 1 1 124 124 MET N N 554 118.217 118.217 121.725 -3.508 18053 7955 1 12 . 1 1 124 124 MET HA H 554 5.286 5.286 5.019 0.267 18053 7956 1 12 . 1 1 124 124 MET C C 554 174.428 174.428 174.475 -0.047 18053 7957 1 12 . 1 1 124 124 MET CA C 554 55.104 55.104 55.818 -0.714 18053 7958 1 12 . 1 1 124 124 MET CB C 554 35.342 35.342 36.140 -0.798 18053 7959 1 12 . 1 1 124 124 MET H H 554 8.693 8.693 8.431 0.262 18053 7960 1 12 . 1 1 125 125 ARG N N 555 122.132 122.132 127.279 -5.147 18053 7961 1 12 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.839 0.061 18053 7962 1 12 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.149 1.239 18053 7963 1 12 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.577 0.801 18053 7964 1 12 . 1 1 125 125 ARG H H 555 8.919 8.919 9.087 -0.168 18053 7965 1 12 . 1 1 126 126 THR HA H 556 4.685 4.685 4.539 0.146 18053 7966 1 12 . 1 1 126 126 THR C C 556 172.436 172.436 173.737 -1.301 18053 7967 1 12 . 1 1 126 126 THR CA C 556 61.382 61.382 62.865 -1.483 18053 7968 1 12 . 1 1 126 126 THR CB C 556 70.444 70.444 69.693 0.751 18053 7969 1 12 . 1 1 127 127 VAL N N 557 124.976 124.976 125.190 -0.214 18053 7970 1 12 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.299 -0.153 18053 7971 1 12 . 1 1 127 127 VAL C C 557 173.937 173.937 173.298 0.639 18053 7972 1 12 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.270 0.839 18053 7973 1 12 . 1 1 127 127 VAL CB C 557 33.759 33.759 35.330 -1.571 18053 7974 1 12 . 1 1 127 127 VAL H H 557 8.127 8.127 8.881 -0.754 18053 7975 1 12 . 1 1 128 128 LYS N N 558 125.384 125.384 127.507 -2.123 18053 7976 1 12 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.630 0.076 18053 7977 1 12 . 1 1 128 128 LYS C C 558 175.534 175.534 175.329 0.205 18053 7978 1 12 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.398 1.488 18053 7979 1 12 . 1 1 128 128 LYS CB C 558 34.673 34.673 32.833 1.840 18053 7980 1 12 . 1 1 128 128 LYS H H 558 8.289 8.289 8.150 0.139 18053 7981 1 12 . 1 1 129 129 LYS N N 559 124.005 124.005 126.485 -2.480 18053 7982 1 12 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.133 0.177 18053 7983 1 12 . 1 1 129 129 LYS C C 559 176.571 176.571 176.273 0.298 18053 7984 1 12 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.755 -0.013 18053 7985 1 12 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.114 1.248 18053 7986 1 12 . 1 1 129 129 LYS H H 559 8.461 8.461 8.057 0.404 18053 7987 1 12 . 1 1 130 130 SER N N 560 117.195 117.195 120.629 -3.434 18053 7988 1 12 . 1 1 130 130 SER HA H 560 4.384 4.384 4.283 0.101 18053 7989 1 12 . 1 1 130 130 SER C C 560 174.565 174.565 174.853 -0.288 18053 7990 1 12 . 1 1 130 130 SER CA C 560 58.434 58.434 60.020 -1.587 18053 7991 1 12 . 1 1 130 130 SER CB C 560 63.812 63.812 63.564 0.248 18053 7992 1 12 . 1 1 130 130 SER H H 560 8.465 8.465 8.732 -0.267 18053 7993 1 12 . 1 1 131 131 SER N N 561 118.149 118.149 111.317 6.832 18053 7994 1 12 . 1 1 131 131 SER HA H 561 4.412 4.412 4.510 -0.098 18053 7995 1 12 . 1 1 131 131 SER C C 561 174.456 174.456 173.073 1.383 18053 7996 1 12 . 1 1 131 131 SER CA C 561 58.489 58.489 57.441 1.048 18053 7997 1 12 . 1 1 131 131 SER CB C 561 63.811 63.811 63.901 -0.090 18053 7998 1 12 . 1 1 131 131 SER H H 561 8.336 8.336 7.649 0.687 18053 7999 1 12 . 1 1 132 132 VAL N N 562 121.332 121.332 124.700 -3.368 18053 8000 1 12 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.115 -0.080 18053 8001 1 12 . 1 1 132 132 VAL C C 562 176.066 176.066 174.324 1.742 18053 8002 1 12 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.025 -0.579 18053 8003 1 12 . 1 1 132 132 VAL CB C 562 32.394 32.394 30.929 1.465 18053 8004 1 12 . 1 1 132 132 VAL H H 562 7.982 7.982 8.560 -0.578 18053 8005 1 12 . 1 1 133 133 MET N N 563 124.022 124.022 123.070 0.952 18053 8006 1 12 . 1 1 133 133 MET HA H 563 4.385 4.385 4.699 -0.314 18053 8007 1 12 . 1 1 133 133 MET C C 563 176.039 176.039 174.149 1.890 18053 8008 1 12 . 1 1 133 133 MET CA C 563 55.350 55.350 54.461 0.889 18053 8009 1 12 . 1 1 133 133 MET CB C 563 32.503 32.503 34.654 -2.151 18053 8010 1 12 . 1 1 133 133 MET H H 563 8.295 8.295 7.846 0.449 18053 8011 1 12 . 1 1 134 134 ARG N N 564 122.677 122.677 124.681 -2.004 18053 8012 1 12 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.408 -0.146 18053 8013 1 12 . 1 1 134 134 ARG C C 564 176.298 176.298 175.802 0.496 18053 8014 1 12 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.199 -0.112 18053 8015 1 12 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.216 -0.514 18053 8016 1 12 . 1 1 134 134 ARG H H 564 8.295 8.295 8.573 -0.278 18053 8017 1 12 . 1 1 135 135 GLU N N 565 121.945 121.945 124.383 -2.438 18053 8018 1 12 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.427 -0.267 18053 8019 1 12 . 1 1 135 135 GLU C C 565 176.080 176.080 176.122 -0.042 18053 8020 1 12 . 1 1 135 135 GLU CA C 565 56.906 56.906 55.678 1.228 18053 8021 1 12 . 1 1 135 135 GLU CB C 565 29.774 29.774 31.073 -1.299 18053 8022 1 12 . 1 1 135 135 GLU H H 565 8.470 8.470 8.589 -0.119 18053 8023 1 12 . 1 1 136 136 ASN N N 566 118.761 118.761 119.965 -1.204 18053 8024 1 12 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.433 0.184 18053 8025 1 12 . 1 1 136 136 ASN C C 566 175.315 175.315 176.206 -0.891 18053 8026 1 12 . 1 1 136 136 ASN CA C 566 53.193 53.193 54.941 -1.748 18053 8027 1 12 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.348 0.488 18053 8028 1 12 . 1 1 136 136 ASN H H 566 8.341 8.341 8.657 -0.316 18053 8029 1 12 . 1 1 137 137 GLU N N 567 121.349 121.349 117.211 4.138 18053 8030 1 12 . 1 1 137 137 GLU HA H 567 4.152 4.152 3.874 0.278 18053 8031 1 12 . 1 1 137 137 GLU C C 567 176.243 176.243 176.271 -0.028 18053 8032 1 12 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.602 -1.696 18053 8033 1 12 . 1 1 137 137 GLU CB C 567 29.992 29.992 28.671 1.321 18053 8034 1 12 . 1 1 137 137 GLU H H 567 8.349 8.349 8.713 -0.364 18053 8035 1 12 . 1 1 138 138 ASN N N 568 118.761 118.761 121.806 -3.045 18053 8036 1 12 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.923 -0.211 18053 8037 1 12 . 1 1 138 138 ASN C C 568 174.551 174.551 174.372 0.179 18053 8038 1 12 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.041 0.152 18053 8039 1 12 . 1 1 138 138 ASN CB C 568 39.327 39.327 39.194 0.133 18053 8040 1 12 . 1 1 138 138 ASN H H 568 8.397 8.397 8.270 0.127 18053 8041 1 13 . 1 1 20 20 ALA N N 450 125.180 125.180 126.585 -1.405 18053 8042 1 13 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.451 0.255 18053 8043 1 13 . 1 1 20 20 ALA C C 450 177.226 177.226 177.681 -0.455 18053 8044 1 13 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.375 0.382 18053 8045 1 13 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.394 2.017 18053 8046 1 13 . 1 1 20 20 ALA H H 450 8.484 8.484 8.449 0.035 18053 8047 1 13 . 1 1 21 21 SER N N 451 115.714 115.714 118.448 -2.734 18053 8048 1 13 . 1 1 21 21 SER HA H 451 4.513 4.513 4.484 0.029 18053 8049 1 13 . 1 1 21 21 SER C C 451 174.742 174.742 175.551 -0.809 18053 8050 1 13 . 1 1 21 21 SER CA C 451 58.516 58.516 58.114 0.403 18053 8051 1 13 . 1 1 21 21 SER CB C 451 64.159 64.159 63.316 0.843 18053 8052 1 13 . 1 1 21 21 SER H H 451 8.487 8.487 7.978 0.509 18053 8053 1 13 . 1 1 22 22 GLY N N 452 111.509 111.509 115.115 -3.606 18053 8054 1 13 . 1 1 22 22 GLY C C 452 174.401 174.401 174.995 -0.594 18053 8055 1 13 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.214 -0.155 18053 8056 1 13 . 1 1 22 22 GLY H H 452 8.198 8.198 8.970 -0.772 18053 8057 1 13 . 1 1 23 23 SER N N 453 116.191 116.191 118.388 -2.197 18053 8058 1 13 . 1 1 23 23 SER HA H 453 4.364 4.364 4.285 0.079 18053 8059 1 13 . 1 1 23 23 SER C C 453 173.432 173.432 174.778 -1.346 18053 8060 1 13 . 1 1 23 23 SER CA C 453 59.744 59.744 61.556 -1.812 18053 8061 1 13 . 1 1 23 23 SER CB C 453 64.335 64.335 63.960 0.375 18053 8062 1 13 . 1 1 23 23 SER H H 453 8.494 8.494 7.778 0.716 18053 8063 1 13 . 1 1 24 24 VAL N N 454 121.656 121.656 121.956 -0.300 18053 8064 1 13 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.360 0.675 18053 8065 1 13 . 1 1 24 24 VAL C C 454 174.606 174.606 175.353 -0.747 18053 8066 1 13 . 1 1 24 24 VAL CA C 454 61.055 61.055 62.502 -1.446 18053 8067 1 13 . 1 1 24 24 VAL CB C 454 32.503 32.503 31.005 1.498 18053 8068 1 13 . 1 1 24 24 VAL H H 454 7.830 7.830 8.259 -0.429 18053 8069 1 13 . 1 1 25 25 SER N N 455 119.323 119.323 123.727 -4.404 18053 8070 1 13 . 1 1 25 25 SER HA H 455 4.672 4.672 4.751 -0.079 18053 8071 1 13 . 1 1 25 25 SER C C 455 174.426 174.426 173.733 0.693 18053 8072 1 13 . 1 1 25 25 SER CA C 455 55.268 55.268 56.501 -1.233 18053 8073 1 13 . 1 1 25 25 SER CB C 455 65.162 65.162 65.007 0.155 18053 8074 1 13 . 1 1 25 25 SER H H 455 9.065 9.065 8.763 0.302 18053 8075 1 13 . 1 1 26 26 ILE N N 456 119.468 119.468 125.998 -6.530 18053 8076 1 13 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.023 0.157 18053 8077 1 13 . 1 1 26 26 ILE C C 456 175.506 175.506 175.985 -0.479 18053 8078 1 13 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.285 -0.958 18053 8079 1 13 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.732 1.230 18053 8080 1 13 . 1 1 26 26 ILE H H 456 8.295 8.295 8.808 -0.513 18053 8081 1 13 . 1 1 27 27 GLU N N 457 129.726 129.726 127.878 1.848 18053 8082 1 13 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.297 -0.069 18053 8083 1 13 . 1 1 27 27 GLU C C 457 175.179 175.179 176.532 -1.353 18053 8084 1 13 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.717 -2.285 18053 8085 1 13 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.336 -0.194 18053 8086 1 13 . 1 1 27 27 GLU H H 457 8.393 8.393 8.429 -0.036 18053 8087 1 13 . 1 1 28 28 GLU N N 458 117.076 117.076 117.558 -0.482 18053 8088 1 13 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.629 -0.461 18053 8089 1 13 . 1 1 28 28 GLU C C 458 174.701 174.701 174.792 -0.091 18053 8090 1 13 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.157 1.749 18053 8091 1 13 . 1 1 28 28 GLU CB C 458 31.848 31.848 32.954 -1.106 18053 8092 1 13 . 1 1 28 28 GLU H H 458 7.489 7.489 7.965 -0.476 18053 8093 1 13 . 1 1 29 29 ILE N N 459 122.183 122.183 119.984 2.199 18053 8094 1 13 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.223 -0.459 18053 8095 1 13 . 1 1 29 29 ILE C C 459 174.169 174.169 174.907 -0.738 18053 8096 1 13 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.527 -0.001 18053 8097 1 13 . 1 1 29 29 ILE CB C 459 40.309 40.309 42.486 -2.177 18053 8098 1 13 . 1 1 29 29 ILE H H 459 8.126 8.126 8.312 -0.186 18053 8099 1 13 . 1 1 30 30 ASP N N 460 123.205 123.205 123.785 -0.580 18053 8100 1 13 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.073 0.110 18053 8101 1 13 . 1 1 30 30 ASP C C 460 178.318 178.318 177.886 0.432 18053 8102 1 13 . 1 1 30 30 ASP CA C 460 53.930 53.930 54.080 -0.150 18053 8103 1 13 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.043 0.764 18053 8104 1 13 . 1 1 30 30 ASP H H 460 6.704 6.704 7.344 -0.640 18053 8105 1 13 . 1 1 31 31 LEU N N 461 128.551 128.551 121.411 7.140 18053 8106 1 13 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.070 -0.006 18053 8107 1 13 . 1 1 31 31 LEU C C 461 177.513 177.513 177.334 0.179 18053 8108 1 13 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.844 0.280 18053 8109 1 13 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.715 -0.478 18053 8110 1 13 . 1 1 31 31 LEU H H 461 9.012 9.012 8.422 0.590 18053 8111 1 13 . 1 1 32 32 GLU N N 462 115.101 115.101 116.583 -1.482 18053 8112 1 13 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.922 -0.639 18053 8113 1 13 . 1 1 32 32 GLU C C 462 177.062 177.062 176.517 0.545 18053 8114 1 13 . 1 1 32 32 GLU CA C 462 55.759 55.759 55.142 0.617 18053 8115 1 13 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.788 -1.220 18053 8116 1 13 . 1 1 32 32 GLU H H 462 7.588 7.588 8.235 -0.647 18053 8117 1 13 . 1 1 33 33 GLY N N 463 106.299 106.299 109.136 -2.837 18053 8118 1 13 . 1 1 33 33 GLY C C 463 174.824 174.824 175.056 -0.232 18053 8119 1 13 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.603 1.203 18053 8120 1 13 . 1 1 33 33 GLY H H 463 7.372 7.372 7.973 -0.601 18053 8121 1 13 . 1 1 34 34 LYS N N 464 118.744 118.744 118.089 0.655 18053 8122 1 13 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.211 0.351 18053 8123 1 13 . 1 1 34 34 LYS C C 464 177.076 177.076 174.963 2.113 18053 8124 1 13 . 1 1 34 34 LYS CA C 464 59.963 59.963 55.716 4.247 18053 8125 1 13 . 1 1 34 34 LYS CB C 464 33.111 33.111 32.611 0.500 18053 8126 1 13 . 1 1 34 34 LYS H H 464 9.547 9.547 7.958 1.589 18053 8127 1 13 . 1 1 35 35 PHE N N 465 109.125 109.125 112.380 -3.255 18053 8128 1 13 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.875 0.639 18053 8129 1 13 . 1 1 35 35 PHE C C 465 174.183 174.183 172.574 1.609 18053 8130 1 13 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.257 1.375 18053 8131 1 13 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.990 -0.391 18053 8132 1 13 . 1 1 35 35 PHE H H 465 6.740 6.740 6.888 -0.148 18053 8133 1 13 . 1 1 36 36 VAL N N 466 119.579 119.579 120.636 -1.057 18053 8134 1 13 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.102 -0.393 18053 8135 1 13 . 1 1 36 36 VAL C C 466 172.668 172.668 174.344 -1.676 18053 8136 1 13 . 1 1 36 36 VAL CA C 466 62.692 62.692 60.971 1.721 18053 8137 1 13 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.255 1.960 18053 8138 1 13 . 1 1 36 36 VAL H H 466 7.628 7.628 8.218 -0.590 18053 8139 1 13 . 1 1 37 37 GLN N N 467 126.831 126.831 127.742 -0.911 18053 8140 1 13 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.955 0.494 18053 8141 1 13 . 1 1 37 37 GLN C C 467 174.797 174.797 174.412 0.385 18053 8142 1 13 . 1 1 37 37 GLN CA C 467 54.121 54.121 53.862 0.259 18053 8143 1 13 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.849 4.774 18053 8144 1 13 . 1 1 37 37 GLN H H 467 8.392 8.392 8.656 -0.264 18053 8145 1 13 . 1 1 38 38 LEU N N 468 123.018 123.018 126.573 -3.555 18053 8146 1 13 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.388 0.034 18053 8147 1 13 . 1 1 38 38 LEU C C 468 175.588 175.588 175.894 -0.306 18053 8148 1 13 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.337 -0.635 18053 8149 1 13 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.128 -0.082 18053 8150 1 13 . 1 1 38 38 LEU H H 468 9.103 9.103 9.126 -0.023 18053 8151 1 13 . 1 1 39 39 LYS N N 469 118.983 118.983 119.920 -0.937 18053 8152 1 13 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.832 0.020 18053 8153 1 13 . 1 1 39 39 LYS C C 469 173.309 173.309 174.275 -0.966 18053 8154 1 13 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.734 0.260 18053 8155 1 13 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.459 1.787 18053 8156 1 13 . 1 1 39 39 LYS H H 469 8.496 8.496 8.352 0.144 18053 8157 1 13 . 1 1 40 40 ASN N N 470 121.758 121.758 124.709 -2.951 18053 8158 1 13 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.940 -0.152 18053 8159 1 13 . 1 1 40 40 ASN C C 470 174.496 174.496 175.319 -0.823 18053 8160 1 13 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.399 -1.280 18053 8161 1 13 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.732 -2.173 18053 8162 1 13 . 1 1 40 40 ASN H H 470 8.283 8.283 8.609 -0.326 18053 8163 1 13 . 1 1 41 41 ASN N N 471 122.422 122.422 124.020 -1.598 18053 8164 1 13 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.829 -0.241 18053 8165 1 13 . 1 1 41 41 ASN C C 471 174.810 174.810 175.257 -0.447 18053 8166 1 13 . 1 1 41 41 ASN CA C 471 53.985 53.985 52.896 1.089 18053 8167 1 13 . 1 1 41 41 ASN CB C 471 39.600 39.600 40.134 -0.534 18053 8168 1 13 . 1 1 41 41 ASN H H 471 8.681 8.681 8.552 0.129 18053 8169 1 13 . 1 1 42 42 SER N N 472 116.446 116.446 116.474 -0.028 18053 8170 1 13 . 1 1 42 42 SER HA H 472 4.719 4.719 4.310 0.409 18053 8171 1 13 . 1 1 42 42 SER C C 472 172.804 172.804 174.671 -1.867 18053 8172 1 13 . 1 1 42 42 SER CA C 472 57.288 57.288 59.218 -1.930 18053 8173 1 13 . 1 1 42 42 SER CB C 472 66.241 66.241 64.361 1.880 18053 8174 1 13 . 1 1 42 42 SER H H 472 8.370 8.370 8.046 0.324 18053 8175 1 13 . 1 1 43 43 ASP N N 473 117.706 117.706 122.371 -4.665 18053 8176 1 13 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.531 -0.057 18053 8177 1 13 . 1 1 43 43 ASP C C 473 175.343 175.343 175.594 -0.251 18053 8178 1 13 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.589 -2.068 18053 8179 1 13 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.900 -0.578 18053 8180 1 13 . 1 1 43 43 ASP H H 473 8.254 8.254 8.743 -0.489 18053 8181 1 13 . 1 1 44 44 LYS N N 474 120.209 120.209 117.159 3.050 18053 8182 1 13 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.490 0.079 18053 8183 1 13 . 1 1 44 44 LYS C C 474 175.397 175.397 174.196 1.201 18053 8184 1 13 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.309 -0.297 18053 8185 1 13 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.409 0.974 18053 8186 1 13 . 1 1 44 44 LYS H H 474 8.305 8.305 7.499 0.806 18053 8187 1 13 . 1 1 45 45 ASP N N 475 124.993 124.993 120.344 4.649 18053 8188 1 13 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.493 -0.518 18053 8189 1 13 . 1 1 45 45 ASP C C 475 174.810 174.810 176.136 -1.326 18053 8190 1 13 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.541 -0.546 18053 8191 1 13 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.593 -0.229 18053 8192 1 13 . 1 1 45 45 ASP H H 475 8.722 8.722 8.496 0.226 18053 8193 1 13 . 1 1 46 46 GLN N N 476 120.549 120.549 126.963 -6.414 18053 8194 1 13 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.336 0.100 18053 8195 1 13 . 1 1 46 46 GLN C C 476 174.019 174.019 175.403 -1.384 18053 8196 1 13 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.977 -1.839 18053 8197 1 13 . 1 1 46 46 GLN CB C 476 31.466 31.466 28.809 2.657 18053 8198 1 13 . 1 1 46 46 GLN H H 476 7.878 7.878 8.361 -0.483 18053 8199 1 13 . 1 1 47 47 SER N N 477 121.537 121.537 122.180 -0.643 18053 8200 1 13 . 1 1 47 47 SER HA H 477 4.229 4.229 4.279 -0.050 18053 8201 1 13 . 1 1 47 47 SER C C 477 174.565 174.565 173.984 0.581 18053 8202 1 13 . 1 1 47 47 SER CA C 477 58.706 58.706 58.446 0.260 18053 8203 1 13 . 1 1 47 47 SER CB C 477 62.965 62.965 62.630 0.335 18053 8204 1 13 . 1 1 47 47 SER H H 477 8.748 8.748 8.530 0.218 18053 8205 1 13 . 1 1 48 48 LEU N N 478 127.751 127.751 125.385 2.366 18053 8206 1 13 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.371 -1.740 18053 8207 1 13 . 1 1 48 48 LEU C C 478 176.789 176.789 176.740 0.049 18053 8208 1 13 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.236 -2.134 18053 8209 1 13 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.312 -0.969 18053 8210 1 13 . 1 1 48 48 LEU H H 478 7.856 7.856 7.837 0.019 18053 8211 1 13 . 1 1 49 49 GLY N N 479 107.525 107.525 105.854 1.671 18053 8212 1 13 . 1 1 49 49 GLY C C 479 176.653 176.653 175.315 1.338 18053 8213 1 13 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.611 2.451 18053 8214 1 13 . 1 1 49 49 GLY H H 479 7.728 7.728 8.723 -0.995 18053 8215 1 13 . 1 1 50 50 ASN N N 480 117.059 117.059 119.788 -2.729 18053 8216 1 13 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.571 -0.316 18053 8217 1 13 . 1 1 50 50 ASN C C 480 174.961 174.961 174.993 -0.032 18053 8218 1 13 . 1 1 50 50 ASN CA C 480 56.360 56.360 53.647 2.713 18053 8219 1 13 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.604 -1.188 18053 8220 1 13 . 1 1 50 50 ASN H H 480 7.552 7.552 8.764 -1.212 18053 8221 1 13 . 1 1 51 51 TRP N N 481 122.166 122.166 117.910 4.256 18053 8222 1 13 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.812 -0.335 18053 8223 1 13 . 1 1 51 51 TRP C C 481 175.575 175.575 175.978 -0.403 18053 8224 1 13 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.568 1.194 18053 8225 1 13 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.758 -1.717 18053 8226 1 13 . 1 1 51 51 TRP H H 481 8.914 8.914 7.751 1.163 18053 8227 1 13 . 1 1 52 52 ARG N N 482 116.480 116.480 119.270 -2.790 18053 8228 1 13 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.046 0.922 18053 8229 1 13 . 1 1 52 52 ARG C C 482 175.807 175.807 174.894 0.913 18053 8230 1 13 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.858 -0.737 18053 8231 1 13 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.829 1.295 18053 8232 1 13 . 1 1 52 52 ARG H H 482 9.147 9.147 9.156 -0.009 18053 8233 1 13 . 1 1 53 53 ILE N N 483 119.579 119.579 125.775 -6.196 18053 8234 1 13 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.458 0.527 18053 8235 1 13 . 1 1 53 53 ILE C C 483 175.670 175.670 175.498 0.172 18053 8236 1 13 . 1 1 53 53 ILE CA C 483 60.400 60.400 61.383 -0.983 18053 8237 1 13 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.062 2.165 18053 8238 1 13 . 1 1 53 53 ILE H H 483 9.000 9.000 8.764 0.236 18053 8239 1 13 . 1 1 54 54 LYS N N 484 124.737 124.737 127.968 -3.231 18053 8240 1 13 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.018 0.445 18053 8241 1 13 . 1 1 54 54 LYS C C 484 175.575 175.575 176.065 -0.490 18053 8242 1 13 . 1 1 54 54 LYS CA C 484 54.613 54.613 55.860 -1.247 18053 8243 1 13 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.109 0.932 18053 8244 1 13 . 1 1 54 54 LYS H H 484 9.678 9.678 8.826 0.852 18053 8245 1 13 . 1 1 55 55 ARG N N 485 124.090 124.090 123.315 0.775 18053 8246 1 13 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.853 0.672 18053 8247 1 13 . 1 1 55 55 ARG C C 485 174.155 174.155 173.998 0.157 18053 8248 1 13 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.798 -1.895 18053 8249 1 13 . 1 1 55 55 ARG H H 485 9.314 9.314 8.479 0.835 18053 8250 1 13 . 1 1 56 56 GLN N N 486 126.576 126.576 128.124 -1.548 18053 8251 1 13 . 1 1 56 56 GLN HA H 486 4.842 4.842 5.022 -0.180 18053 8252 1 13 . 1 1 56 56 GLN C C 486 174.991 174.991 174.635 0.356 18053 8253 1 13 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.528 0.303 18053 8254 1 13 . 1 1 56 56 GLN CB C 486 31.465 31.465 30.561 0.904 18053 8255 1 13 . 1 1 56 56 GLN H H 486 8.831 8.831 8.572 0.259 18053 8256 1 13 . 1 1 57 57 VAL N N 487 126.712 126.712 126.450 0.262 18053 8257 1 13 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.168 0.098 18053 8258 1 13 . 1 1 57 57 VAL C C 487 175.916 175.916 177.661 -1.745 18053 8259 1 13 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.346 -0.526 18053 8260 1 13 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.452 0.351 18053 8261 1 13 . 1 1 57 57 VAL H H 487 8.786 8.786 8.796 -0.010 18053 8262 1 13 . 1 1 58 58 LEU N N 488 127.274 127.274 125.103 2.171 18053 8263 1 13 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.138 -0.053 18053 8264 1 13 . 1 1 58 58 LEU C C 488 177.158 177.158 178.350 -1.192 18053 8265 1 13 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.321 -1.415 18053 8266 1 13 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.620 -0.245 18053 8267 1 13 . 1 1 58 58 LEU H H 488 8.316 8.316 8.388 -0.072 18053 8268 1 13 . 1 1 59 59 GLU N N 489 119.647 119.647 119.564 0.083 18053 8269 1 13 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.313 -0.201 18053 8270 1 13 . 1 1 59 59 GLU C C 489 176.230 176.230 177.444 -1.214 18053 8271 1 13 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.068 0.947 18053 8272 1 13 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.617 -1.468 18053 8273 1 13 . 1 1 59 59 GLU H H 489 8.636 8.636 7.983 0.653 18053 8274 1 13 . 1 1 60 60 GLY N N 490 108.819 108.819 107.136 1.683 18053 8275 1 13 . 1 1 60 60 GLY C C 490 173.568 173.568 174.016 -0.448 18053 8276 1 13 . 1 1 60 60 GLY CA C 490 44.773 44.773 45.133 -0.360 18053 8277 1 13 . 1 1 60 60 GLY H H 490 8.160 8.160 7.754 0.406 18053 8278 1 13 . 1 1 61 61 GLU N N 491 121.009 121.009 120.374 0.635 18053 8279 1 13 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.442 -0.119 18053 8280 1 13 . 1 1 61 61 GLU C C 491 175.725 175.725 175.398 0.327 18053 8281 1 13 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.173 0.023 18053 8282 1 13 . 1 1 61 61 GLU CB C 491 30.865 30.865 30.491 0.374 18053 8283 1 13 . 1 1 61 61 GLU H H 491 8.320 8.320 8.327 -0.007 18053 8284 1 13 . 1 1 62 62 GLU N N 492 123.426 123.426 119.469 3.957 18053 8285 1 13 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.515 -0.461 18053 8286 1 13 . 1 1 62 62 GLU C C 492 175.930 175.930 175.799 0.131 18053 8287 1 13 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.540 1.110 18053 8288 1 13 . 1 1 62 62 GLU CB C 492 32.312 32.312 33.351 -1.039 18053 8289 1 13 . 1 1 62 62 GLU H H 492 8.594 8.594 8.419 0.175 18053 8290 1 13 . 1 1 63 63 ILE N N 493 119.732 119.732 113.955 5.777 18053 8291 1 13 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.685 0.103 18053 8292 1 13 . 1 1 63 63 ILE C C 493 174.647 174.647 174.403 0.244 18053 8293 1 13 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.626 0.555 18053 8294 1 13 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.326 -0.143 18053 8295 1 13 . 1 1 63 63 ILE H H 493 8.523 8.523 8.154 0.369 18053 8296 1 13 . 1 1 64 64 ALA N N 494 122.166 122.166 123.707 -1.541 18053 8297 1 13 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.015 0.506 18053 8298 1 13 . 1 1 64 64 ALA C C 494 174.606 174.606 175.288 -0.682 18053 8299 1 13 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.133 0.395 18053 8300 1 13 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.506 1.733 18053 8301 1 13 . 1 1 64 64 ALA H H 494 8.741 8.741 8.285 0.456 18053 8302 1 13 . 1 1 65 65 TYR N N 495 126.729 126.729 125.360 1.369 18053 8303 1 13 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.846 -0.752 18053 8304 1 13 . 1 1 65 65 TYR C C 495 173.036 173.036 173.720 -0.684 18053 8305 1 13 . 1 1 65 65 TYR CA C 495 56.905 56.905 58.050 -1.145 18053 8306 1 13 . 1 1 65 65 TYR CB C 495 40.269 40.269 40.122 0.147 18053 8307 1 13 . 1 1 65 65 TYR H H 495 8.462 8.462 8.391 0.071 18053 8308 1 13 . 1 1 66 66 LYS N N 496 128.108 128.108 123.124 4.984 18053 8309 1 13 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.246 0.576 18053 8310 1 13 . 1 1 66 66 LYS C C 496 174.906 174.906 174.040 0.866 18053 8311 1 13 . 1 1 66 66 LYS CA C 496 53.739 53.739 53.774 -0.035 18053 8312 1 13 . 1 1 66 66 LYS CB C 496 34.782 34.782 34.701 0.081 18053 8313 1 13 . 1 1 66 66 LYS H H 496 7.010 7.010 6.924 0.086 18053 8314 1 13 . 1 1 67 67 PHE N N 497 125.299 125.299 122.432 2.867 18053 8315 1 13 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.532 -0.600 18053 8316 1 13 . 1 1 67 67 PHE C C 497 177.990 177.990 175.747 2.243 18053 8317 1 13 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.756 1.251 18053 8318 1 13 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.698 0.283 18053 8319 1 13 . 1 1 67 67 PHE H H 497 8.509 8.509 8.190 0.319 18053 8320 1 13 . 1 1 68 68 THR N N 498 116.191 116.191 112.847 3.344 18053 8321 1 13 . 1 1 68 68 THR HA H 498 4.417 4.417 4.639 -0.222 18053 8322 1 13 . 1 1 68 68 THR CA C 498 60.855 60.855 59.317 1.538 18053 8323 1 13 . 1 1 68 68 THR CB C 498 68.019 68.019 69.458 -1.439 18053 8324 1 13 . 1 1 68 68 THR H H 498 8.688 8.688 8.404 0.284 18053 8325 1 13 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.398 -0.450 18053 8326 1 13 . 1 1 69 69 PRO C C 499 177.444 177.444 176.922 0.522 18053 8327 1 13 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.928 1.149 18053 8328 1 13 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.858 0.918 18053 8329 1 13 . 1 1 70 70 LYS N N 500 113.552 113.552 115.717 -2.165 18053 8330 1 13 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.225 0.160 18053 8331 1 13 . 1 1 70 70 LYS C C 500 176.325 176.325 176.661 -0.336 18053 8332 1 13 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.349 -1.354 18053 8333 1 13 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.846 -0.053 18053 8334 1 13 . 1 1 70 70 LYS H H 500 8.016 8.016 7.771 0.245 18053 8335 1 13 . 1 1 71 71 TYR N N 501 121.860 121.860 122.197 -0.337 18053 8336 1 13 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.306 -0.576 18053 8337 1 13 . 1 1 71 71 TYR C C 501 174.838 174.838 174.358 0.480 18053 8338 1 13 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.710 2.600 18053 8339 1 13 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.289 -0.508 18053 8340 1 13 . 1 1 71 71 TYR H H 501 7.460 7.460 7.758 -0.298 18053 8341 1 13 . 1 1 72 72 ILE N N 502 129.487 129.487 127.044 2.443 18053 8342 1 13 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.466 -0.538 18053 8343 1 13 . 1 1 72 72 ILE C C 502 172.968 172.968 174.240 -1.272 18053 8344 1 13 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.506 -0.198 18053 8345 1 13 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.824 0.086 18053 8346 1 13 . 1 1 72 72 ILE H H 502 7.168 7.168 7.481 -0.313 18053 8347 1 13 . 1 1 73 73 LEU N N 503 128.278 128.278 129.026 -0.748 18053 8348 1 13 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.496 -0.003 18053 8349 1 13 . 1 1 73 73 LEU C C 503 175.834 175.834 175.373 0.461 18053 8350 1 13 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.909 -1.944 18053 8351 1 13 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.170 -1.622 18053 8352 1 13 . 1 1 73 73 LEU H H 503 8.483 8.483 8.621 -0.138 18053 8353 1 13 . 1 1 74 74 ARG N N 504 129.589 129.589 124.401 5.188 18053 8354 1 13 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.429 -0.686 18053 8355 1 13 . 1 1 74 74 ARG C C 504 175.233 175.233 175.973 -0.740 18053 8356 1 13 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.277 1.574 18053 8357 1 13 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.934 -0.642 18053 8358 1 13 . 1 1 74 74 ARG H H 504 8.673 8.673 8.288 0.385 18053 8359 1 13 . 1 1 75 75 ALA N N 505 123.205 123.205 125.685 -2.480 18053 8360 1 13 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.071 -0.549 18053 8361 1 13 . 1 1 75 75 ALA C C 505 178.441 178.441 177.982 0.459 18053 8362 1 13 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.169 0.625 18053 8363 1 13 . 1 1 75 75 ALA CB C 505 18.910 18.910 17.954 0.956 18053 8364 1 13 . 1 1 75 75 ALA H H 505 8.564 8.564 8.460 0.104 18053 8365 1 13 . 1 1 76 76 GLY N N 506 112.241 112.241 111.634 0.607 18053 8366 1 13 . 1 1 76 76 GLY C C 506 174.278 174.278 174.885 -0.607 18053 8367 1 13 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.159 1.566 18053 8368 1 13 . 1 1 76 76 GLY H H 506 7.381 7.381 8.387 -1.006 18053 8369 1 13 . 1 1 77 77 GLN N N 507 117.382 117.382 120.890 -3.508 18053 8370 1 13 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.479 -0.115 18053 8371 1 13 . 1 1 77 77 GLN C C 507 173.937 173.937 175.257 -1.320 18053 8372 1 13 . 1 1 77 77 GLN CA C 507 54.558 54.558 55.459 -0.901 18053 8373 1 13 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.863 0.210 18053 8374 1 13 . 1 1 77 77 GLN H H 507 7.996 7.996 7.613 0.383 18053 8375 1 13 . 1 1 78 78 MET N N 508 116.957 116.957 116.194 0.763 18053 8376 1 13 . 1 1 78 78 MET HA H 508 5.388 5.388 4.991 0.397 18053 8377 1 13 . 1 1 78 78 MET C C 508 175.807 175.807 175.221 0.586 18053 8378 1 13 . 1 1 78 78 MET CA C 508 54.067 54.067 54.258 -0.191 18053 8379 1 13 . 1 1 78 78 MET CB C 508 37.198 37.198 36.336 0.862 18053 8380 1 13 . 1 1 78 78 MET H H 508 8.092 8.092 8.176 -0.084 18053 8381 1 13 . 1 1 79 79 VAL N N 509 119.340 119.340 119.875 -0.535 18053 8382 1 13 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.967 -0.011 18053 8383 1 13 . 1 1 79 79 VAL C C 509 172.217 172.217 173.718 -1.501 18053 8384 1 13 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.920 -1.449 18053 8385 1 13 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.361 -1.685 18053 8386 1 13 . 1 1 79 79 VAL H H 509 8.534 8.534 8.845 -0.311 18053 8387 1 13 . 1 1 80 80 THR N N 510 124.533 124.533 125.914 -1.381 18053 8388 1 13 . 1 1 80 80 THR HA H 510 4.586 4.586 5.151 -0.565 18053 8389 1 13 . 1 1 80 80 THR C C 510 172.215 172.215 173.580 -1.365 18053 8390 1 13 . 1 1 80 80 THR CA C 510 62.119 62.119 61.187 0.932 18053 8391 1 13 . 1 1 80 80 THR CB C 510 69.407 69.407 70.422 -1.015 18053 8392 1 13 . 1 1 80 80 THR H H 510 8.301 8.301 9.020 -0.719 18053 8393 1 13 . 1 1 81 81 VAL N N 511 127.002 127.002 126.984 0.018 18053 8394 1 13 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.587 0.009 18053 8395 1 13 . 1 1 81 81 VAL C C 511 176.667 176.667 175.967 0.700 18053 8396 1 13 . 1 1 81 81 VAL CA C 511 61.382 61.382 61.250 0.132 18053 8397 1 13 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.440 0.505 18053 8398 1 13 . 1 1 81 81 VAL H H 511 8.796 8.796 8.774 0.022 18053 8399 1 13 . 1 1 82 82 TRP N N 512 131.479 131.479 129.499 1.980 18053 8400 1 13 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.081 0.257 18053 8401 1 13 . 1 1 82 82 TRP C C 512 176.885 176.885 175.703 1.182 18053 8402 1 13 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.279 -0.837 18053 8403 1 13 . 1 1 82 82 TRP CB C 512 30.701 30.701 30.881 -0.180 18053 8404 1 13 . 1 1 82 82 TRP H H 512 9.924 9.924 9.452 0.472 18053 8405 1 13 . 1 1 83 83 ALA N N 513 123.954 123.954 120.556 3.398 18053 8406 1 13 . 1 1 83 83 ALA HA H 513 4.308 4.308 5.259 -0.951 18053 8407 1 13 . 1 1 83 83 ALA C C 513 178.140 178.140 178.173 -0.033 18053 8408 1 13 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.421 1.790 18053 8409 1 13 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.795 -2.050 18053 8410 1 13 . 1 1 83 83 ALA H H 513 9.048 9.048 8.584 0.464 18053 8411 1 13 . 1 1 84 84 ALA N N 514 125.146 125.146 124.491 0.655 18053 8412 1 13 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.169 -0.218 18053 8413 1 13 . 1 1 84 84 ALA C C 514 179.519 179.519 178.987 0.532 18053 8414 1 13 . 1 1 84 84 ALA CA C 514 54.804 54.804 55.174 -0.370 18053 8415 1 13 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.057 -0.475 18053 8416 1 13 . 1 1 84 84 ALA H H 514 8.341 8.341 8.284 0.057 18053 8417 1 13 . 1 1 85 85 GLY N N 515 103.388 103.388 103.699 -0.311 18053 8418 1 13 . 1 1 85 85 GLY C C 515 174.674 174.674 174.681 -0.007 18053 8419 1 13 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.533 1.345 18053 8420 1 13 . 1 1 85 85 GLY H H 515 7.996 7.996 7.941 0.055 18053 8421 1 13 . 1 1 86 86 ALA N N 516 120.140 120.140 122.196 -2.056 18053 8422 1 13 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.598 -0.254 18053 8423 1 13 . 1 1 86 86 ALA C C 516 177.690 177.690 178.256 -0.566 18053 8424 1 13 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.270 0.869 18053 8425 1 13 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.574 0.973 18053 8426 1 13 . 1 1 86 86 ALA H H 516 7.474 7.474 7.306 0.168 18053 8427 1 13 . 1 1 87 87 GLY N N 517 105.720 105.720 107.204 -1.484 18053 8428 1 13 . 1 1 87 87 GLY C C 517 173.650 173.650 174.700 -1.050 18053 8429 1 13 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.391 0.623 18053 8430 1 13 . 1 1 87 87 GLY H H 517 7.779 7.779 7.777 0.002 18053 8431 1 13 . 1 1 88 88 VAL N N 518 121.537 121.537 119.984 1.553 18053 8432 1 13 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.123 -0.538 18053 8433 1 13 . 1 1 88 88 VAL C C 518 174.851 174.851 175.290 -0.439 18053 8434 1 13 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.318 -0.044 18053 8435 1 13 . 1 1 88 88 VAL CB C 518 33.376 33.376 32.774 0.602 18053 8436 1 13 . 1 1 88 88 VAL H H 518 7.499 7.499 7.882 -0.383 18053 8437 1 13 . 1 1 89 89 ALA N N 519 128.295 128.295 129.524 -1.229 18053 8438 1 13 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.385 -0.193 18053 8439 1 13 . 1 1 89 89 ALA C C 519 176.680 176.680 176.617 0.063 18053 8440 1 13 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.526 -0.243 18053 8441 1 13 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.312 -0.020 18053 8442 1 13 . 1 1 89 89 ALA H H 519 7.960 7.960 8.077 -0.117 18053 8443 1 13 . 1 1 90 90 HIS N N 520 122.643 122.643 124.364 -1.721 18053 8444 1 13 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.434 -0.401 18053 8445 1 13 . 1 1 90 90 HIS C C 520 175.793 175.793 174.595 1.198 18053 8446 1 13 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.078 2.575 18053 8447 1 13 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.832 2.453 18053 8448 1 13 . 1 1 90 90 HIS H H 520 8.394 8.394 8.885 -0.491 18053 8449 1 13 . 1 1 91 91 SER N N 521 121.247 121.247 123.547 -2.300 18053 8450 1 13 . 1 1 91 91 SER HA H 521 4.629 4.629 4.734 -0.105 18053 8451 1 13 . 1 1 91 91 SER CA C 521 55.843 55.843 55.918 -0.075 18053 8452 1 13 . 1 1 91 91 SER CB C 521 62.367 62.367 63.180 -0.813 18053 8453 1 13 . 1 1 91 91 SER H H 521 8.569 8.569 8.535 0.034 18053 8454 1 13 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.826 -0.824 18053 8455 1 13 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.323 -0.079 18053 8456 1 13 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.484 -0.553 18053 8457 1 13 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.808 -0.136 18053 8458 1 13 . 1 1 93 93 PRO C C 523 177.786 177.786 178.448 -0.662 18053 8459 1 13 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.805 0.198 18053 8460 1 13 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.807 2.098 18053 8461 1 13 . 1 1 94 94 SER N N 524 117.212 117.212 117.454 -0.242 18053 8462 1 13 . 1 1 94 94 SER HA H 524 4.678 4.678 4.390 0.288 18053 8463 1 13 . 1 1 94 94 SER C C 524 174.851 174.851 174.608 0.243 18053 8464 1 13 . 1 1 94 94 SER CA C 524 61.874 61.874 62.190 -0.316 18053 8465 1 13 . 1 1 94 94 SER CB C 524 64.057 64.057 63.717 0.340 18053 8466 1 13 . 1 1 94 94 SER H H 524 8.463 8.463 8.007 0.456 18053 8467 1 13 . 1 1 95 95 THR N N 525 121.588 121.588 119.273 2.315 18053 8468 1 13 . 1 1 95 95 THR HA H 525 4.859 4.859 5.009 -0.150 18053 8469 1 13 . 1 1 95 95 THR C C 525 172.094 172.094 173.406 -1.312 18053 8470 1 13 . 1 1 95 95 THR CA C 525 62.309 62.309 62.115 0.194 18053 8471 1 13 . 1 1 95 95 THR CB C 525 70.281 70.281 68.908 1.373 18053 8472 1 13 . 1 1 95 95 THR H H 525 7.631 7.631 7.977 -0.346 18053 8473 1 13 . 1 1 96 96 LEU N N 526 127.274 127.274 129.206 -1.932 18053 8474 1 13 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.137 -0.006 18053 8475 1 13 . 1 1 96 96 LEU C C 526 175.916 175.916 176.010 -0.094 18053 8476 1 13 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.536 -2.462 18053 8477 1 13 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.448 0.342 18053 8478 1 13 . 1 1 96 96 LEU H H 526 8.977 8.977 8.330 0.647 18053 8479 1 13 . 1 1 97 97 VAL N N 527 124.056 124.056 120.078 3.978 18053 8480 1 13 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.658 0.211 18053 8481 1 13 . 1 1 97 97 VAL C C 527 176.230 176.230 175.314 0.916 18053 8482 1 13 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.384 0.135 18053 8483 1 13 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.396 -0.692 18053 8484 1 13 . 1 1 97 97 VAL H H 527 10.724 10.724 7.944 2.780 18053 8485 1 13 . 1 1 98 98 TRP N N 528 132.586 132.586 130.769 1.817 18053 8486 1 13 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.648 0.317 18053 8487 1 13 . 1 1 98 98 TRP C C 528 173.391 173.391 175.381 -1.990 18053 8488 1 13 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.807 -2.504 18053 8489 1 13 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.911 -0.666 18053 8490 1 13 . 1 1 98 98 TRP H H 528 9.400 9.400 8.919 0.481 18053 8491 1 13 . 1 1 99 99 LYS N N 529 126.644 126.644 127.924 -1.280 18053 8492 1 13 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.155 -0.316 18053 8493 1 13 . 1 1 99 99 LYS C C 529 177.581 177.581 177.296 0.285 18053 8494 1 13 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.329 1.214 18053 8495 1 13 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.440 -0.264 18053 8496 1 13 . 1 1 99 99 LYS H H 529 8.153 8.153 8.148 0.005 18053 8497 1 13 . 1 1 100 100 GLY N N 530 110.385 110.385 113.942 -3.557 18053 8498 1 13 . 1 1 100 100 GLY C C 530 172.367 172.367 173.792 -1.425 18053 8499 1 13 . 1 1 100 100 GLY CA C 530 45.278 45.278 45.001 0.277 18053 8500 1 13 . 1 1 100 100 GLY H H 530 8.363 8.363 8.760 -0.397 18053 8501 1 13 . 1 1 101 101 GLN N N 531 121.162 121.162 122.668 -1.506 18053 8502 1 13 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.337 -0.365 18053 8503 1 13 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.010 -1.389 18053 8504 1 13 . 1 1 101 101 GLN CB C 531 27.595 27.595 27.878 -0.283 18053 8505 1 13 . 1 1 101 101 GLN H H 531 6.815 6.815 7.466 -0.651 18053 8506 1 13 . 1 1 102 102 SER N N 532 122.728 122.728 122.333 0.395 18053 8507 1 13 . 1 1 102 102 SER HA H 532 3.866 3.866 4.539 -0.673 18053 8508 1 13 . 1 1 102 102 SER C C 532 174.537 174.537 176.065 -1.528 18053 8509 1 13 . 1 1 102 102 SER CA C 532 61.983 61.983 60.553 1.430 18053 8510 1 13 . 1 1 102 102 SER CB C 532 62.802 62.802 63.427 -0.625 18053 8511 1 13 . 1 1 102 102 SER H H 532 8.662 8.662 8.803 -0.141 18053 8512 1 13 . 1 1 103 103 SER N N 533 110.811 110.811 117.668 -6.857 18053 8513 1 13 . 1 1 103 103 SER HA H 533 4.240 4.240 4.239 0.001 18053 8514 1 13 . 1 1 103 103 SER C C 533 174.087 174.087 175.471 -1.384 18053 8515 1 13 . 1 1 103 103 SER CA C 533 56.633 56.633 59.997 -3.364 18053 8516 1 13 . 1 1 103 103 SER CB C 533 64.658 64.658 63.481 1.177 18053 8517 1 13 . 1 1 103 103 SER H H 533 7.134 7.134 7.716 -0.582 18053 8518 1 13 . 1 1 104 104 TRP N N 534 126.133 126.133 123.026 3.107 18053 8519 1 13 . 1 1 104 104 TRP HA H 534 4.098 4.098 3.978 0.120 18053 8520 1 13 . 1 1 104 104 TRP C C 534 176.066 176.066 175.074 0.992 18053 8521 1 13 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.249 1.878 18053 8522 1 13 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.141 0.623 18053 8523 1 13 . 1 1 104 104 TRP H H 534 9.764 9.764 7.761 2.003 18053 8524 1 13 . 1 1 105 105 GLY N N 535 105.907 105.907 106.116 -0.209 18053 8525 1 13 . 1 1 105 105 GLY C C 535 172.217 172.217 174.058 -1.841 18053 8526 1 13 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.974 -0.734 18053 8527 1 13 . 1 1 105 105 GLY H H 535 8.095 8.095 7.687 0.408 18053 8528 1 13 . 1 1 106 106 THR N N 536 111.253 111.253 115.896 -4.643 18053 8529 1 13 . 1 1 106 106 THR HA H 536 3.859 3.859 3.978 -0.119 18053 8530 1 13 . 1 1 106 106 THR C C 536 172.872 172.872 174.530 -1.658 18053 8531 1 13 . 1 1 106 106 THR CA C 536 59.635 59.635 63.762 -4.127 18053 8532 1 13 . 1 1 106 106 THR CB C 536 70.526 70.526 69.751 0.775 18053 8533 1 13 . 1 1 106 106 THR H H 536 7.913 7.913 7.695 0.218 18053 8534 1 13 . 1 1 107 107 GLY N N 537 107.712 107.712 113.845 -6.133 18053 8535 1 13 . 1 1 107 107 GLY C C 537 172.709 172.709 173.284 -0.575 18053 8536 1 13 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.330 -0.164 18053 8537 1 13 . 1 1 107 107 GLY H H 537 7.533 7.533 7.974 -0.441 18053 8538 1 13 . 1 1 108 108 GLU N N 538 118.864 118.864 119.526 -0.662 18053 8539 1 13 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.455 -0.319 18053 8540 1 13 . 1 1 108 108 GLU C C 538 176.353 176.353 175.330 1.023 18053 8541 1 13 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.025 1.327 18053 8542 1 13 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.651 -0.495 18053 8543 1 13 . 1 1 108 108 GLU H H 538 8.558 8.558 8.778 -0.220 18053 8544 1 13 . 1 1 109 109 SER N N 539 110.419 110.419 114.142 -3.723 18053 8545 1 13 . 1 1 109 109 SER HA H 539 4.963 4.963 5.553 -0.590 18053 8546 1 13 . 1 1 109 109 SER C C 539 173.787 173.787 172.963 0.824 18053 8547 1 13 . 1 1 109 109 SER CA C 539 57.125 57.125 57.147 -0.021 18053 8548 1 13 . 1 1 109 109 SER CB C 539 64.439 64.439 65.504 -1.065 18053 8549 1 13 . 1 1 109 109 SER H H 539 7.620 7.620 7.796 -0.176 18053 8550 1 13 . 1 1 110 110 PHE N N 540 118.778 118.778 118.411 0.367 18053 8551 1 13 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.123 -0.042 18053 8552 1 13 . 1 1 110 110 PHE C C 540 176.052 176.052 172.931 3.121 18053 8553 1 13 . 1 1 110 110 PHE CA C 540 56.789 56.789 57.346 -0.557 18053 8554 1 13 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.675 -0.915 18053 8555 1 13 . 1 1 110 110 PHE H H 540 8.318 8.318 8.805 -0.487 18053 8556 1 13 . 1 1 112 112 THR HA H 542 5.468 5.468 4.857 0.611 18053 8557 1 13 . 1 1 112 112 THR C C 542 172.381 172.381 173.625 -1.244 18053 8558 1 13 . 1 1 112 112 THR CA C 542 61.818 61.818 63.646 -1.828 18053 8559 1 13 . 1 1 112 112 THR CB C 542 70.990 70.990 69.615 1.375 18053 8560 1 13 . 1 1 113 113 VAL N N 543 124.771 124.771 128.301 -3.530 18053 8561 1 13 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.494 0.370 18053 8562 1 13 . 1 1 113 113 VAL C C 543 173.132 173.132 174.240 -1.108 18053 8563 1 13 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.390 -1.291 18053 8564 1 13 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.459 2.974 18053 8565 1 13 . 1 1 113 113 VAL H H 543 9.380 9.380 8.668 0.712 18053 8566 1 13 . 1 1 114 114 LEU N N 544 128.789 128.789 129.875 -1.086 18053 8567 1 13 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.849 0.471 18053 8568 1 13 . 1 1 114 114 LEU C C 544 174.237 174.237 175.235 -0.998 18053 8569 1 13 . 1 1 114 114 LEU CA C 544 53.193 53.193 54.273 -1.081 18053 8570 1 13 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.065 1.814 18053 8571 1 13 . 1 1 114 114 LEU H H 544 8.948 8.948 8.215 0.733 18053 8572 1 13 . 1 1 115 115 VAL N N 545 127.002 127.002 125.919 1.083 18053 8573 1 13 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.836 0.018 18053 8574 1 13 . 1 1 115 115 VAL C C 545 175.206 175.206 175.486 -0.280 18053 8575 1 13 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.013 -0.679 18053 8576 1 13 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.141 0.354 18053 8577 1 13 . 1 1 115 115 VAL H H 545 9.564 9.564 8.711 0.853 18053 8578 1 13 . 1 1 116 116 ASN N N 546 121.179 121.179 124.892 -3.713 18053 8579 1 13 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.616 -0.719 18053 8580 1 13 . 1 1 116 116 ASN C C 546 176.885 176.885 175.696 1.189 18053 8581 1 13 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.404 -0.995 18053 8582 1 13 . 1 1 116 116 ASN CB C 546 36.639 36.639 38.899 -2.260 18053 8583 1 13 . 1 1 116 116 ASN H H 546 8.016 8.016 8.120 -0.104 18053 8584 1 13 . 1 1 117 117 ALA N N 547 119.834 119.834 119.976 -0.142 18053 8585 1 13 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.065 -0.199 18053 8586 1 13 . 1 1 117 117 ALA C C 547 177.772 177.772 178.234 -0.462 18053 8587 1 13 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.416 0.088 18053 8588 1 13 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.438 -0.238 18053 8589 1 13 . 1 1 117 117 ALA H H 547 6.444 6.444 7.931 -1.487 18053 8590 1 13 . 1 1 118 118 ASP N N 548 115.646 115.646 116.755 -1.109 18053 8591 1 13 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.451 0.193 18053 8592 1 13 . 1 1 118 118 ASP C C 548 176.052 176.052 177.246 -1.194 18053 8593 1 13 . 1 1 118 118 ASP CA C 548 54.067 54.067 54.670 -0.603 18053 8594 1 13 . 1 1 118 118 ASP CB C 548 41.674 41.674 40.889 0.785 18053 8595 1 13 . 1 1 118 118 ASP H H 548 7.181 7.181 7.734 -0.553 18053 8596 1 13 . 1 1 119 119 GLY N N 549 107.167 107.167 107.904 -0.737 18053 8597 1 13 . 1 1 119 119 GLY C C 549 173.841 173.841 173.654 0.187 18053 8598 1 13 . 1 1 119 119 GLY CA C 549 45.455 45.455 45.308 0.147 18053 8599 1 13 . 1 1 119 119 GLY H H 549 7.738 7.738 7.590 0.148 18053 8600 1 13 . 1 1 120 120 GLU N N 550 121.196 121.196 118.631 2.565 18053 8601 1 13 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.409 -0.297 18053 8602 1 13 . 1 1 120 120 GLU C C 550 175.588 175.588 175.273 0.315 18053 8603 1 13 . 1 1 120 120 GLU CA C 550 54.831 54.831 54.465 0.366 18053 8604 1 13 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.956 -1.019 18053 8605 1 13 . 1 1 120 120 GLU H H 550 7.587 7.587 7.992 -0.405 18053 8606 1 13 . 1 1 121 121 GLU N N 551 123.886 123.886 123.425 0.461 18053 8607 1 13 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.306 -0.030 18053 8608 1 13 . 1 1 121 121 GLU C C 551 176.817 176.817 175.882 0.935 18053 8609 1 13 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.916 -0.120 18053 8610 1 13 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.549 0.406 18053 8611 1 13 . 1 1 121 121 GLU H H 551 8.697 8.697 8.828 -0.131 18053 8612 1 13 . 1 1 122 122 VAL N N 552 120.055 120.055 123.286 -3.231 18053 8613 1 13 . 1 1 122 122 VAL HA H 552 4.364 4.364 3.886 0.478 18053 8614 1 13 . 1 1 122 122 VAL C C 552 175.998 175.998 174.914 1.084 18053 8615 1 13 . 1 1 122 122 VAL CA C 552 61.655 61.655 63.246 -1.591 18053 8616 1 13 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.365 0.684 18053 8617 1 13 . 1 1 122 122 VAL H H 552 8.845 8.845 8.232 0.613 18053 8618 1 13 . 1 1 123 123 ALA N N 553 122.098 122.098 119.696 2.402 18053 8619 1 13 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.718 0.172 18053 8620 1 13 . 1 1 123 123 ALA C C 553 175.261 175.261 174.839 0.422 18053 8621 1 13 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.044 1.714 18053 8622 1 13 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.274 -0.007 18053 8623 1 13 . 1 1 123 123 ALA H H 553 7.788 7.788 7.841 -0.053 18053 8624 1 13 . 1 1 124 124 MET N N 554 118.217 118.217 119.500 -1.283 18053 8625 1 13 . 1 1 124 124 MET HA H 554 5.286 5.286 5.212 0.074 18053 8626 1 13 . 1 1 124 124 MET C C 554 174.428 174.428 174.423 0.005 18053 8627 1 13 . 1 1 124 124 MET CA C 554 55.104 55.104 55.400 -0.296 18053 8628 1 13 . 1 1 124 124 MET CB C 554 35.342 35.342 36.929 -1.587 18053 8629 1 13 . 1 1 124 124 MET H H 554 8.693 8.693 8.333 0.360 18053 8630 1 13 . 1 1 125 125 ARG N N 555 122.132 122.132 125.254 -3.122 18053 8631 1 13 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.679 0.221 18053 8632 1 13 . 1 1 125 125 ARG CA C 555 56.388 56.388 56.340 0.049 18053 8633 1 13 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.927 0.451 18053 8634 1 13 . 1 1 125 125 ARG H H 555 8.919 8.919 9.039 -0.120 18053 8635 1 13 . 1 1 126 126 THR HA H 556 4.685 4.685 4.629 0.056 18053 8636 1 13 . 1 1 126 126 THR C C 556 172.436 172.436 173.869 -1.433 18053 8637 1 13 . 1 1 126 126 THR CA C 556 61.382 61.382 62.252 -0.870 18053 8638 1 13 . 1 1 126 126 THR CB C 556 70.444 70.444 69.350 1.094 18053 8639 1 13 . 1 1 127 127 VAL N N 557 124.976 124.976 128.686 -3.710 18053 8640 1 13 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.008 0.138 18053 8641 1 13 . 1 1 127 127 VAL C C 557 173.937 173.937 174.221 -0.284 18053 8642 1 13 . 1 1 127 127 VAL CA C 557 61.109 61.109 61.315 -0.205 18053 8643 1 13 . 1 1 127 127 VAL CB C 557 33.759 33.759 32.733 1.026 18053 8644 1 13 . 1 1 127 127 VAL H H 557 8.127 8.127 8.549 -0.422 18053 8645 1 13 . 1 1 128 128 LYS N N 558 125.384 125.384 126.282 -0.898 18053 8646 1 13 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.422 0.284 18053 8647 1 13 . 1 1 128 128 LYS C C 558 175.534 175.534 175.341 0.193 18053 8648 1 13 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.016 0.870 18053 8649 1 13 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.905 0.768 18053 8650 1 13 . 1 1 128 128 LYS H H 558 8.289 8.289 8.479 -0.190 18053 8651 1 13 . 1 1 129 129 LYS N N 559 124.005 124.005 127.106 -3.101 18053 8652 1 13 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.118 0.192 18053 8653 1 13 . 1 1 129 129 LYS C C 559 176.571 176.571 176.242 0.329 18053 8654 1 13 . 1 1 129 129 LYS CA C 559 56.742 56.742 56.938 -0.196 18053 8655 1 13 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.205 1.157 18053 8656 1 13 . 1 1 129 129 LYS H H 559 8.461 8.461 8.185 0.276 18053 8657 1 13 . 1 1 130 130 SER N N 560 117.195 117.195 123.057 -5.862 18053 8658 1 13 . 1 1 130 130 SER HA H 560 4.384 4.384 4.712 -0.328 18053 8659 1 13 . 1 1 130 130 SER C C 560 174.565 174.565 173.439 1.126 18053 8660 1 13 . 1 1 130 130 SER CA C 560 58.434 58.434 57.483 0.951 18053 8661 1 13 . 1 1 130 130 SER CB C 560 63.812 63.812 63.054 0.757 18053 8662 1 13 . 1 1 130 130 SER H H 560 8.465 8.465 8.208 0.257 18053 8663 1 13 . 1 1 131 131 SER N N 561 118.149 118.149 118.896 -0.747 18053 8664 1 13 . 1 1 131 131 SER HA H 561 4.412 4.412 4.641 -0.229 18053 8665 1 13 . 1 1 131 131 SER C C 561 174.456 174.456 174.795 -0.339 18053 8666 1 13 . 1 1 131 131 SER CA C 561 58.489 58.489 57.771 0.718 18053 8667 1 13 . 1 1 131 131 SER CB C 561 63.811 63.811 64.955 -1.144 18053 8668 1 13 . 1 1 131 131 SER H H 561 8.336 8.336 8.110 0.226 18053 8669 1 13 . 1 1 132 132 VAL N N 562 121.332 121.332 122.595 -1.263 18053 8670 1 13 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.089 -0.054 18053 8671 1 13 . 1 1 132 132 VAL C C 562 176.066 176.066 176.433 -0.367 18053 8672 1 13 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.505 -0.059 18053 8673 1 13 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.000 0.394 18053 8674 1 13 . 1 1 132 132 VAL H H 562 7.982 7.982 8.482 -0.499 18053 8675 1 13 . 1 1 133 133 MET N N 563 124.022 124.022 120.381 3.641 18053 8676 1 13 . 1 1 133 133 MET HA H 563 4.385 4.385 4.324 0.061 18053 8677 1 13 . 1 1 133 133 MET C C 563 176.039 176.039 176.254 -0.215 18053 8678 1 13 . 1 1 133 133 MET CA C 563 55.350 55.350 56.090 -0.740 18053 8679 1 13 . 1 1 133 133 MET CB C 563 32.503 32.503 32.347 0.156 18053 8680 1 13 . 1 1 133 133 MET H H 563 8.295 8.295 7.647 0.648 18053 8681 1 13 . 1 1 134 134 ARG N N 564 122.677 122.677 123.652 -0.975 18053 8682 1 13 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.236 0.026 18053 8683 1 13 . 1 1 134 134 ARG C C 564 176.298 176.298 176.490 -0.192 18053 8684 1 13 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.036 0.051 18053 8685 1 13 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.767 -0.065 18053 8686 1 13 . 1 1 134 134 ARG H H 564 8.295 8.295 8.489 -0.194 18053 8687 1 13 . 1 1 135 135 GLU N N 565 121.945 121.945 121.432 0.513 18053 8688 1 13 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.137 0.023 18053 8689 1 13 . 1 1 135 135 GLU C C 565 176.080 176.080 176.111 -0.031 18053 8690 1 13 . 1 1 135 135 GLU CA C 565 56.906 56.906 57.346 -0.440 18053 8691 1 13 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.902 0.872 18053 8692 1 13 . 1 1 135 135 GLU H H 565 8.470 8.470 8.665 -0.195 18053 8693 1 13 . 1 1 136 136 ASN N N 566 118.761 118.761 124.759 -5.998 18053 8694 1 13 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.946 -0.329 18053 8695 1 13 . 1 1 136 136 ASN C C 566 175.315 175.315 175.279 0.036 18053 8696 1 13 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.151 0.042 18053 8697 1 13 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.983 -0.147 18053 8698 1 13 . 1 1 136 136 ASN H H 566 8.341 8.341 8.505 -0.164 18053 8699 1 13 . 1 1 137 137 GLU N N 567 121.349 121.349 123.015 -1.666 18053 8700 1 13 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.011 0.141 18053 8701 1 13 . 1 1 137 137 GLU C C 567 176.243 176.243 176.309 -0.066 18053 8702 1 13 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.528 -1.622 18053 8703 1 13 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.758 0.235 18053 8704 1 13 . 1 1 137 137 GLU H H 567 8.349 8.349 8.598 -0.249 18053 8705 1 13 . 1 1 138 138 ASN N N 568 118.761 118.761 118.506 0.255 18053 8706 1 13 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.620 0.092 18053 8707 1 13 . 1 1 138 138 ASN C C 568 174.551 174.551 174.170 0.381 18053 8708 1 13 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.352 -0.159 18053 8709 1 13 . 1 1 138 138 ASN CB C 568 39.327 39.327 37.797 1.530 18053 8710 1 13 . 1 1 138 138 ASN H H 568 8.397 8.397 8.466 -0.069 18053 8711 1 14 . 1 1 20 20 ALA N N 450 125.180 125.180 125.530 -0.350 18053 8712 1 14 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.533 0.173 18053 8713 1 14 . 1 1 20 20 ALA C C 450 177.226 177.226 177.378 -0.152 18053 8714 1 14 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.475 0.282 18053 8715 1 14 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.665 1.746 18053 8716 1 14 . 1 1 20 20 ALA H H 450 8.484 8.484 8.843 -0.359 18053 8717 1 14 . 1 1 21 21 SER N N 451 115.714 115.714 121.481 -5.767 18053 8718 1 14 . 1 1 21 21 SER HA H 451 4.513 4.513 4.329 0.184 18053 8719 1 14 . 1 1 21 21 SER C C 451 174.742 174.742 174.826 -0.084 18053 8720 1 14 . 1 1 21 21 SER CA C 451 58.516 58.516 58.600 -0.084 18053 8721 1 14 . 1 1 21 21 SER CB C 451 64.159 64.159 62.193 1.966 18053 8722 1 14 . 1 1 21 21 SER H H 451 8.487 8.487 8.355 0.132 18053 8723 1 14 . 1 1 22 22 GLY N N 452 111.509 111.509 113.436 -1.927 18053 8724 1 14 . 1 1 22 22 GLY C C 452 174.401 174.401 175.444 -1.043 18053 8725 1 14 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.666 -0.607 18053 8726 1 14 . 1 1 22 22 GLY H H 452 8.198 8.198 8.145 0.053 18053 8727 1 14 . 1 1 23 23 SER N N 453 116.191 116.191 114.664 1.527 18053 8728 1 14 . 1 1 23 23 SER HA H 453 4.364 4.364 4.297 0.067 18053 8729 1 14 . 1 1 23 23 SER C C 453 173.432 173.432 174.659 -1.227 18053 8730 1 14 . 1 1 23 23 SER CA C 453 59.744 59.744 61.471 -1.727 18053 8731 1 14 . 1 1 23 23 SER CB C 453 64.335 64.335 63.979 0.356 18053 8732 1 14 . 1 1 23 23 SER H H 453 8.494 8.494 7.934 0.560 18053 8733 1 14 . 1 1 24 24 VAL N N 454 121.656 121.656 120.763 0.893 18053 8734 1 14 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.640 0.395 18053 8735 1 14 . 1 1 24 24 VAL C C 454 174.606 174.606 176.076 -1.470 18053 8736 1 14 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.102 -0.047 18053 8737 1 14 . 1 1 24 24 VAL CB C 454 32.503 32.503 30.754 1.749 18053 8738 1 14 . 1 1 24 24 VAL H H 454 7.830 7.830 7.980 -0.150 18053 8739 1 14 . 1 1 25 25 SER N N 455 119.323 119.323 122.230 -2.907 18053 8740 1 14 . 1 1 25 25 SER HA H 455 4.672 4.672 4.810 -0.138 18053 8741 1 14 . 1 1 25 25 SER C C 455 174.426 174.426 174.649 -0.223 18053 8742 1 14 . 1 1 25 25 SER CA C 455 55.268 55.268 56.581 -1.313 18053 8743 1 14 . 1 1 25 25 SER CB C 455 65.162 65.162 65.296 -0.134 18053 8744 1 14 . 1 1 25 25 SER H H 455 9.065 9.065 8.644 0.421 18053 8745 1 14 . 1 1 26 26 ILE N N 456 119.468 119.468 122.925 -3.457 18053 8746 1 14 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.218 -0.038 18053 8747 1 14 . 1 1 26 26 ILE C C 456 175.506 175.506 176.317 -0.811 18053 8748 1 14 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.561 -0.233 18053 8749 1 14 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.751 1.212 18053 8750 1 14 . 1 1 26 26 ILE H H 456 8.295 8.295 8.676 -0.381 18053 8751 1 14 . 1 1 27 27 GLU N N 457 129.726 129.726 129.873 -0.147 18053 8752 1 14 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.202 0.026 18053 8753 1 14 . 1 1 27 27 GLU C C 457 175.179 175.179 176.397 -1.218 18053 8754 1 14 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.535 -3.103 18053 8755 1 14 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.591 -0.449 18053 8756 1 14 . 1 1 27 27 GLU H H 457 8.393 8.393 8.586 -0.193 18053 8757 1 14 . 1 1 28 28 GLU N N 458 117.076 117.076 115.541 1.535 18053 8758 1 14 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.701 -0.533 18053 8759 1 14 . 1 1 28 28 GLU C C 458 174.701 174.701 174.505 0.196 18053 8760 1 14 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.487 1.419 18053 8761 1 14 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.275 -2.427 18053 8762 1 14 . 1 1 28 28 GLU H H 458 7.489 7.489 8.083 -0.594 18053 8763 1 14 . 1 1 29 29 ILE N N 459 122.183 122.183 120.683 1.500 18053 8764 1 14 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.055 -0.291 18053 8765 1 14 . 1 1 29 29 ILE C C 459 174.169 174.169 174.783 -0.614 18053 8766 1 14 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.457 0.069 18053 8767 1 14 . 1 1 29 29 ILE CB C 459 40.309 40.309 40.889 -0.580 18053 8768 1 14 . 1 1 29 29 ILE H H 459 8.126 8.126 8.379 -0.253 18053 8769 1 14 . 1 1 30 30 ASP N N 460 123.205 123.205 124.753 -1.548 18053 8770 1 14 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.324 -0.141 18053 8771 1 14 . 1 1 30 30 ASP C C 460 178.318 178.318 177.769 0.549 18053 8772 1 14 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.850 0.080 18053 8773 1 14 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.159 0.648 18053 8774 1 14 . 1 1 30 30 ASP H H 460 6.704 6.704 7.517 -0.813 18053 8775 1 14 . 1 1 31 31 LEU N N 461 128.551 128.551 121.678 6.873 18053 8776 1 14 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.101 -0.037 18053 8777 1 14 . 1 1 31 31 LEU C C 461 177.513 177.513 177.698 -0.185 18053 8778 1 14 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.693 -0.569 18053 8779 1 14 . 1 1 31 31 LEU CB C 461 41.237 41.237 42.214 -0.977 18053 8780 1 14 . 1 1 31 31 LEU H H 461 9.012 9.012 8.504 0.508 18053 8781 1 14 . 1 1 32 32 GLU N N 462 115.101 115.101 116.976 -1.875 18053 8782 1 14 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.259 0.024 18053 8783 1 14 . 1 1 32 32 GLU C C 462 177.062 177.062 177.106 -0.044 18053 8784 1 14 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.337 -1.578 18053 8785 1 14 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.558 -0.989 18053 8786 1 14 . 1 1 32 32 GLU H H 462 7.588 7.588 7.818 -0.230 18053 8787 1 14 . 1 1 33 33 GLY N N 463 106.299 106.299 105.901 0.398 18053 8788 1 14 . 1 1 33 33 GLY C C 463 174.824 174.824 174.287 0.537 18053 8789 1 14 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.797 2.009 18053 8790 1 14 . 1 1 33 33 GLY H H 463 7.372 7.372 8.124 -0.752 18053 8791 1 14 . 1 1 34 34 LYS N N 464 118.744 118.744 118.187 0.557 18053 8792 1 14 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.392 0.170 18053 8793 1 14 . 1 1 34 34 LYS C C 464 177.076 177.076 174.942 2.134 18053 8794 1 14 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.830 2.133 18053 8795 1 14 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.691 -0.580 18053 8796 1 14 . 1 1 34 34 LYS H H 464 9.547 9.547 8.134 1.413 18053 8797 1 14 . 1 1 35 35 PHE N N 465 109.125 109.125 113.238 -4.113 18053 8798 1 14 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.707 -0.193 18053 8799 1 14 . 1 1 35 35 PHE C C 465 174.183 174.183 172.843 1.340 18053 8800 1 14 . 1 1 35 35 PHE CA C 465 56.632 56.632 56.008 0.624 18053 8801 1 14 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.883 -0.284 18053 8802 1 14 . 1 1 35 35 PHE H H 465 6.740 6.740 7.240 -0.500 18053 8803 1 14 . 1 1 36 36 VAL N N 466 119.579 119.579 119.904 -0.325 18053 8804 1 14 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.274 -0.565 18053 8805 1 14 . 1 1 36 36 VAL C C 466 172.668 172.668 174.219 -1.551 18053 8806 1 14 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.534 1.158 18053 8807 1 14 . 1 1 36 36 VAL CB C 466 36.215 36.215 35.472 0.743 18053 8808 1 14 . 1 1 36 36 VAL H H 466 7.628 7.628 9.040 -1.412 18053 8809 1 14 . 1 1 37 37 GLN N N 467 126.831 126.831 127.258 -0.427 18053 8810 1 14 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.993 0.456 18053 8811 1 14 . 1 1 37 37 GLN C C 467 174.797 174.797 175.058 -0.261 18053 8812 1 14 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.703 -0.582 18053 8813 1 14 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.776 4.847 18053 8814 1 14 . 1 1 37 37 GLN H H 467 8.392 8.392 8.494 -0.102 18053 8815 1 14 . 1 1 38 38 LEU N N 468 123.018 123.018 128.270 -5.252 18053 8816 1 14 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.314 0.108 18053 8817 1 14 . 1 1 38 38 LEU C C 468 175.588 175.588 175.700 -0.112 18053 8818 1 14 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.738 -1.036 18053 8819 1 14 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.968 0.078 18053 8820 1 14 . 1 1 38 38 LEU H H 468 9.103 9.103 9.178 -0.075 18053 8821 1 14 . 1 1 39 39 LYS N N 469 118.983 118.983 119.839 -0.856 18053 8822 1 14 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.680 0.172 18053 8823 1 14 . 1 1 39 39 LYS C C 469 173.309 173.309 174.120 -0.811 18053 8824 1 14 . 1 1 39 39 LYS CA C 469 54.994 54.994 55.237 -0.243 18053 8825 1 14 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.960 1.286 18053 8826 1 14 . 1 1 39 39 LYS H H 469 8.496 8.496 8.843 -0.347 18053 8827 1 14 . 1 1 40 40 ASN N N 470 121.758 121.758 122.318 -0.560 18053 8828 1 14 . 1 1 40 40 ASN HA H 470 4.788 4.788 5.212 -0.424 18053 8829 1 14 . 1 1 40 40 ASN C C 470 174.496 174.496 176.067 -1.571 18053 8830 1 14 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.214 -1.095 18053 8831 1 14 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.486 -1.927 18053 8832 1 14 . 1 1 40 40 ASN H H 470 8.283 8.283 8.204 0.079 18053 8833 1 14 . 1 1 41 41 ASN N N 471 122.422 122.422 124.900 -2.478 18053 8834 1 14 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.785 -0.197 18053 8835 1 14 . 1 1 41 41 ASN C C 471 174.810 174.810 175.531 -0.721 18053 8836 1 14 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.821 0.164 18053 8837 1 14 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.656 -0.056 18053 8838 1 14 . 1 1 41 41 ASN H H 471 8.681 8.681 8.808 -0.127 18053 8839 1 14 . 1 1 42 42 SER N N 472 116.446 116.446 117.110 -0.664 18053 8840 1 14 . 1 1 42 42 SER HA H 472 4.719 4.719 4.589 0.130 18053 8841 1 14 . 1 1 42 42 SER C C 472 172.804 172.804 173.460 -0.656 18053 8842 1 14 . 1 1 42 42 SER CA C 472 57.288 57.288 58.459 -1.171 18053 8843 1 14 . 1 1 42 42 SER CB C 472 66.241 66.241 64.314 1.927 18053 8844 1 14 . 1 1 42 42 SER H H 472 8.370 8.370 7.898 0.472 18053 8845 1 14 . 1 1 43 43 ASP N N 473 117.706 117.706 121.644 -3.938 18053 8846 1 14 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.418 0.056 18053 8847 1 14 . 1 1 43 43 ASP C C 473 175.343 175.343 176.049 -0.706 18053 8848 1 14 . 1 1 43 43 ASP CA C 473 53.521 53.521 56.174 -2.653 18053 8849 1 14 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.948 -0.626 18053 8850 1 14 . 1 1 43 43 ASP H H 473 8.254 8.254 8.634 -0.380 18053 8851 1 14 . 1 1 44 44 LYS N N 474 120.209 120.209 119.716 0.493 18053 8852 1 14 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.242 0.327 18053 8853 1 14 . 1 1 44 44 LYS C C 474 175.397 175.397 175.633 -0.236 18053 8854 1 14 . 1 1 44 44 LYS CA C 474 54.012 54.012 55.596 -1.584 18053 8855 1 14 . 1 1 44 44 LYS CB C 474 35.383 35.383 32.993 2.390 18053 8856 1 14 . 1 1 44 44 LYS H H 474 8.305 8.305 7.816 0.489 18053 8857 1 14 . 1 1 45 45 ASP N N 475 124.993 124.993 120.548 4.445 18053 8858 1 14 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.371 -0.396 18053 8859 1 14 . 1 1 45 45 ASP C C 475 174.810 174.810 176.174 -1.364 18053 8860 1 14 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.608 0.387 18053 8861 1 14 . 1 1 45 45 ASP CB C 475 40.364 40.364 41.340 -0.976 18053 8862 1 14 . 1 1 45 45 ASP H H 475 8.722 8.722 8.425 0.297 18053 8863 1 14 . 1 1 46 46 GLN N N 476 120.549 120.549 122.945 -2.396 18053 8864 1 14 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.544 -0.108 18053 8865 1 14 . 1 1 46 46 GLN C C 476 174.019 174.019 174.603 -0.584 18053 8866 1 14 . 1 1 46 46 GLN CA C 476 53.138 53.138 53.681 -0.543 18053 8867 1 14 . 1 1 46 46 GLN CB C 476 31.466 31.466 30.347 1.119 18053 8868 1 14 . 1 1 46 46 GLN H H 476 7.878 7.878 8.266 -0.388 18053 8869 1 14 . 1 1 47 47 SER N N 477 121.537 121.537 122.139 -0.602 18053 8870 1 14 . 1 1 47 47 SER HA H 477 4.229 4.229 4.252 -0.023 18053 8871 1 14 . 1 1 47 47 SER C C 477 174.565 174.565 173.656 0.909 18053 8872 1 14 . 1 1 47 47 SER CA C 477 58.706 58.706 59.182 -0.476 18053 8873 1 14 . 1 1 47 47 SER CB C 477 62.965 62.965 63.117 -0.152 18053 8874 1 14 . 1 1 47 47 SER H H 477 8.748 8.748 8.650 0.098 18053 8875 1 14 . 1 1 48 48 LEU N N 478 127.751 127.751 123.702 4.049 18053 8876 1 14 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.245 -1.614 18053 8877 1 14 . 1 1 48 48 LEU C C 478 176.789 176.789 177.437 -0.648 18053 8878 1 14 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.571 -1.469 18053 8879 1 14 . 1 1 48 48 LEU CB C 478 42.343 42.343 42.872 -0.529 18053 8880 1 14 . 1 1 48 48 LEU H H 478 7.856 7.856 7.886 -0.030 18053 8881 1 14 . 1 1 49 49 GLY N N 479 107.525 107.525 106.919 0.606 18053 8882 1 14 . 1 1 49 49 GLY C C 479 176.653 176.653 174.772 1.881 18053 8883 1 14 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.505 2.558 18053 8884 1 14 . 1 1 49 49 GLY H H 479 7.728 7.728 8.964 -1.236 18053 8885 1 14 . 1 1 50 50 ASN N N 480 117.059 117.059 119.144 -2.085 18053 8886 1 14 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.700 -0.445 18053 8887 1 14 . 1 1 50 50 ASN C C 480 174.961 174.961 175.171 -0.210 18053 8888 1 14 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.358 2.002 18053 8889 1 14 . 1 1 50 50 ASN CB C 480 37.416 37.416 39.162 -1.746 18053 8890 1 14 . 1 1 50 50 ASN H H 480 7.552 7.552 8.705 -1.153 18053 8891 1 14 . 1 1 51 51 TRP N N 481 122.166 122.166 119.301 2.865 18053 8892 1 14 . 1 1 51 51 TRP HA H 481 4.477 4.477 5.185 -0.708 18053 8893 1 14 . 1 1 51 51 TRP C C 481 175.575 175.575 175.659 -0.084 18053 8894 1 14 . 1 1 51 51 TRP CA C 481 58.762 58.762 56.982 1.780 18053 8895 1 14 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.049 -2.008 18053 8896 1 14 . 1 1 51 51 TRP H H 481 8.914 8.914 7.843 1.071 18053 8897 1 14 . 1 1 52 52 ARG N N 482 116.480 116.480 119.009 -2.529 18053 8898 1 14 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.393 0.575 18053 8899 1 14 . 1 1 52 52 ARG C C 482 175.807 175.807 174.957 0.850 18053 8900 1 14 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.164 -0.043 18053 8901 1 14 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.490 0.634 18053 8902 1 14 . 1 1 52 52 ARG H H 482 9.147 9.147 9.168 -0.021 18053 8903 1 14 . 1 1 53 53 ILE N N 483 119.579 119.579 123.976 -4.397 18053 8904 1 14 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.730 0.255 18053 8905 1 14 . 1 1 53 53 ILE C C 483 175.670 175.670 175.781 -0.111 18053 8906 1 14 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.605 -0.205 18053 8907 1 14 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.074 2.153 18053 8908 1 14 . 1 1 53 53 ILE H H 483 9.000 9.000 8.809 0.191 18053 8909 1 14 . 1 1 54 54 LYS N N 484 124.737 124.737 128.495 -3.758 18053 8910 1 14 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.882 0.581 18053 8911 1 14 . 1 1 54 54 LYS C C 484 175.575 175.575 175.894 -0.319 18053 8912 1 14 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.589 -1.976 18053 8913 1 14 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.337 1.704 18053 8914 1 14 . 1 1 54 54 LYS H H 484 9.678 9.678 8.871 0.807 18053 8915 1 14 . 1 1 55 55 ARG N N 485 124.090 124.090 124.383 -0.293 18053 8916 1 14 . 1 1 55 55 ARG HA H 485 5.525 5.525 5.084 0.441 18053 8917 1 14 . 1 1 55 55 ARG C C 485 174.155 174.155 175.064 -0.909 18053 8918 1 14 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.853 -0.950 18053 8919 1 14 . 1 1 55 55 ARG H H 485 9.314 9.314 9.150 0.164 18053 8920 1 14 . 1 1 56 56 GLN N N 486 126.576 126.576 124.434 2.142 18053 8921 1 14 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.941 -0.099 18053 8922 1 14 . 1 1 56 56 GLN C C 486 174.991 174.991 174.882 0.109 18053 8923 1 14 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.022 0.809 18053 8924 1 14 . 1 1 56 56 GLN CB C 486 31.465 31.465 28.438 3.027 18053 8925 1 14 . 1 1 56 56 GLN H H 486 8.831 8.831 8.257 0.574 18053 8926 1 14 . 1 1 57 57 VAL N N 487 126.712 126.712 125.543 1.169 18053 8927 1 14 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.233 0.033 18053 8928 1 14 . 1 1 57 57 VAL C C 487 175.916 175.916 177.873 -1.957 18053 8929 1 14 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.545 -0.725 18053 8930 1 14 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.408 0.395 18053 8931 1 14 . 1 1 57 57 VAL H H 487 8.786 8.786 8.631 0.155 18053 8932 1 14 . 1 1 58 58 LEU N N 488 127.274 127.274 124.388 2.886 18053 8933 1 14 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.157 -0.072 18053 8934 1 14 . 1 1 58 58 LEU C C 488 177.158 177.158 177.729 -0.571 18053 8935 1 14 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.666 -0.760 18053 8936 1 14 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.761 -0.387 18053 8937 1 14 . 1 1 58 58 LEU H H 488 8.316 8.316 8.489 -0.173 18053 8938 1 14 . 1 1 59 59 GLU N N 489 119.647 119.647 118.151 1.496 18053 8939 1 14 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.228 -0.116 18053 8940 1 14 . 1 1 59 59 GLU C C 489 176.230 176.230 177.131 -0.901 18053 8941 1 14 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.782 0.233 18053 8942 1 14 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.693 -1.544 18053 8943 1 14 . 1 1 59 59 GLU H H 489 8.636 8.636 8.041 0.595 18053 8944 1 14 . 1 1 60 60 GLY N N 490 108.819 108.819 107.948 0.871 18053 8945 1 14 . 1 1 60 60 GLY C C 490 173.568 173.568 173.703 -0.135 18053 8946 1 14 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.867 -0.094 18053 8947 1 14 . 1 1 60 60 GLY H H 490 8.160 8.160 7.777 0.383 18053 8948 1 14 . 1 1 61 61 GLU N N 491 121.009 121.009 123.192 -2.183 18053 8949 1 14 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.231 0.092 18053 8950 1 14 . 1 1 61 61 GLU C C 491 175.725 175.725 175.530 0.195 18053 8951 1 14 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.644 -0.448 18053 8952 1 14 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.171 1.694 18053 8953 1 14 . 1 1 61 61 GLU H H 491 8.320 8.320 8.578 -0.258 18053 8954 1 14 . 1 1 62 62 GLU N N 492 123.426 123.426 124.566 -1.140 18053 8955 1 14 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.049 0.005 18053 8956 1 14 . 1 1 62 62 GLU C C 492 175.930 175.930 176.145 -0.215 18053 8957 1 14 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.790 0.860 18053 8958 1 14 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.858 1.454 18053 8959 1 14 . 1 1 62 62 GLU H H 492 8.594 8.594 8.437 0.157 18053 8960 1 14 . 1 1 63 63 ILE N N 493 119.732 119.732 118.197 1.535 18053 8961 1 14 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.847 -0.059 18053 8962 1 14 . 1 1 63 63 ILE C C 493 174.647 174.647 174.168 0.479 18053 8963 1 14 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.328 0.853 18053 8964 1 14 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.890 -0.707 18053 8965 1 14 . 1 1 63 63 ILE H H 493 8.523 8.523 8.159 0.364 18053 8966 1 14 . 1 1 64 64 ALA N N 494 122.166 122.166 126.550 -4.384 18053 8967 1 14 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.069 0.452 18053 8968 1 14 . 1 1 64 64 ALA C C 494 174.606 174.606 176.223 -1.617 18053 8969 1 14 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.893 0.635 18053 8970 1 14 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.522 1.717 18053 8971 1 14 . 1 1 64 64 ALA H H 494 8.741 8.741 8.690 0.051 18053 8972 1 14 . 1 1 65 65 TYR N N 495 126.729 126.729 126.738 -0.009 18053 8973 1 14 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.604 -0.510 18053 8974 1 14 . 1 1 65 65 TYR C C 495 173.036 173.036 174.432 -1.396 18053 8975 1 14 . 1 1 65 65 TYR CA C 495 56.905 56.905 57.129 -0.224 18053 8976 1 14 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.835 1.434 18053 8977 1 14 . 1 1 65 65 TYR H H 495 8.462 8.462 8.549 -0.087 18053 8978 1 14 . 1 1 66 66 LYS N N 496 128.108 128.108 127.846 0.262 18053 8979 1 14 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.518 0.304 18053 8980 1 14 . 1 1 66 66 LYS C C 496 174.906 174.906 174.986 -0.080 18053 8981 1 14 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.756 -1.017 18053 8982 1 14 . 1 1 66 66 LYS CB C 496 34.782 34.782 32.501 2.281 18053 8983 1 14 . 1 1 66 66 LYS H H 496 7.010 7.010 7.232 -0.222 18053 8984 1 14 . 1 1 67 67 PHE N N 497 125.299 125.299 123.455 1.844 18053 8985 1 14 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.121 -0.189 18053 8986 1 14 . 1 1 67 67 PHE C C 497 177.990 177.990 175.747 2.243 18053 8987 1 14 . 1 1 67 67 PHE CA C 497 59.007 59.007 58.968 0.039 18053 8988 1 14 . 1 1 67 67 PHE CB C 497 40.981 40.981 39.833 1.148 18053 8989 1 14 . 1 1 67 67 PHE H H 497 8.509 8.509 8.288 0.221 18053 8990 1 14 . 1 1 68 68 THR N N 498 116.191 116.191 111.836 4.355 18053 8991 1 14 . 1 1 68 68 THR HA H 498 4.417 4.417 4.523 -0.106 18053 8992 1 14 . 1 1 68 68 THR CA C 498 60.855 60.855 59.788 1.067 18053 8993 1 14 . 1 1 68 68 THR CB C 498 68.019 68.019 69.347 -1.327 18053 8994 1 14 . 1 1 68 68 THR H H 498 8.688 8.688 8.340 0.348 18053 8995 1 14 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.617 -0.669 18053 8996 1 14 . 1 1 69 69 PRO C C 499 177.444 177.444 176.794 0.650 18053 8997 1 14 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.409 1.669 18053 8998 1 14 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.895 0.881 18053 8999 1 14 . 1 1 70 70 LYS N N 500 113.552 113.552 115.534 -1.982 18053 9000 1 14 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.252 0.133 18053 9001 1 14 . 1 1 70 70 LYS C C 500 176.325 176.325 175.724 0.601 18053 9002 1 14 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.110 -1.115 18053 9003 1 14 . 1 1 70 70 LYS CB C 500 31.793 31.793 32.270 -0.477 18053 9004 1 14 . 1 1 70 70 LYS H H 500 8.016 8.016 8.120 -0.104 18053 9005 1 14 . 1 1 71 71 TYR N N 501 121.860 121.860 122.589 -0.729 18053 9006 1 14 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.464 -0.734 18053 9007 1 14 . 1 1 71 71 TYR C C 501 174.838 174.838 173.580 1.258 18053 9008 1 14 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.367 3.943 18053 9009 1 14 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.071 -0.290 18053 9010 1 14 . 1 1 71 71 TYR H H 501 7.460 7.460 7.754 -0.294 18053 9011 1 14 . 1 1 72 72 ILE N N 502 129.487 129.487 127.315 2.172 18053 9012 1 14 . 1 1 72 72 ILE HA H 502 3.928 3.928 3.988 -0.060 18053 9013 1 14 . 1 1 72 72 ILE C C 502 172.968 172.968 173.972 -1.004 18053 9014 1 14 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.639 -0.332 18053 9015 1 14 . 1 1 72 72 ILE CB C 502 40.910 40.910 39.769 1.141 18053 9016 1 14 . 1 1 72 72 ILE H H 502 7.168 7.168 8.166 -0.998 18053 9017 1 14 . 1 1 73 73 LEU N N 503 128.278 128.278 128.841 -0.563 18053 9018 1 14 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.284 0.209 18053 9019 1 14 . 1 1 73 73 LEU C C 503 175.834 175.834 175.201 0.633 18053 9020 1 14 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.315 -1.349 18053 9021 1 14 . 1 1 73 73 LEU CB C 503 42.548 42.548 42.688 -0.140 18053 9022 1 14 . 1 1 73 73 LEU H H 503 8.483 8.483 8.220 0.263 18053 9023 1 14 . 1 1 74 74 ARG N N 504 129.589 129.589 126.029 3.560 18053 9024 1 14 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.266 -0.523 18053 9025 1 14 . 1 1 74 74 ARG C C 504 175.233 175.233 175.739 -0.506 18053 9026 1 14 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.003 1.848 18053 9027 1 14 . 1 1 74 74 ARG CB C 504 30.292 30.292 31.202 -0.910 18053 9028 1 14 . 1 1 74 74 ARG H H 504 8.673 8.673 8.563 0.110 18053 9029 1 14 . 1 1 75 75 ALA N N 505 123.205 123.205 127.920 -4.715 18053 9030 1 14 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.113 -0.591 18053 9031 1 14 . 1 1 75 75 ALA C C 505 178.441 178.441 177.419 1.022 18053 9032 1 14 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.300 0.494 18053 9033 1 14 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.255 0.655 18053 9034 1 14 . 1 1 75 75 ALA H H 505 8.564 8.564 8.353 0.211 18053 9035 1 14 . 1 1 76 76 GLY N N 506 112.241 112.241 111.605 0.636 18053 9036 1 14 . 1 1 76 76 GLY C C 506 174.278 174.278 174.785 -0.507 18053 9037 1 14 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.028 1.697 18053 9038 1 14 . 1 1 76 76 GLY H H 506 7.381 7.381 8.553 -1.172 18053 9039 1 14 . 1 1 77 77 GLN N N 507 117.382 117.382 120.033 -2.651 18053 9040 1 14 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.561 -0.197 18053 9041 1 14 . 1 1 77 77 GLN C C 507 173.937 173.937 174.457 -0.520 18053 9042 1 14 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.833 -0.275 18053 9043 1 14 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.334 -0.261 18053 9044 1 14 . 1 1 77 77 GLN H H 507 7.996 7.996 7.817 0.179 18053 9045 1 14 . 1 1 78 78 MET N N 508 116.957 116.957 114.662 2.295 18053 9046 1 14 . 1 1 78 78 MET HA H 508 5.388 5.388 4.793 0.595 18053 9047 1 14 . 1 1 78 78 MET C C 508 175.807 175.807 173.809 1.998 18053 9048 1 14 . 1 1 78 78 MET CA C 508 54.067 54.067 54.990 -0.923 18053 9049 1 14 . 1 1 78 78 MET CB C 508 37.198 37.198 36.677 0.521 18053 9050 1 14 . 1 1 78 78 MET H H 508 8.092 8.092 8.223 -0.131 18053 9051 1 14 . 1 1 79 79 VAL N N 509 119.340 119.340 122.075 -2.735 18053 9052 1 14 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.797 0.159 18053 9053 1 14 . 1 1 79 79 VAL C C 509 172.217 172.217 174.646 -2.429 18053 9054 1 14 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.279 -0.808 18053 9055 1 14 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.134 -1.458 18053 9056 1 14 . 1 1 79 79 VAL H H 509 8.534 8.534 8.459 0.075 18053 9057 1 14 . 1 1 80 80 THR N N 510 124.533 124.533 126.383 -1.850 18053 9058 1 14 . 1 1 80 80 THR HA H 510 4.586 4.586 5.018 -0.432 18053 9059 1 14 . 1 1 80 80 THR C C 510 172.215 172.215 173.509 -1.294 18053 9060 1 14 . 1 1 80 80 THR CA C 510 62.119 62.119 61.403 0.716 18053 9061 1 14 . 1 1 80 80 THR CB C 510 69.407 69.407 69.204 0.203 18053 9062 1 14 . 1 1 80 80 THR H H 510 8.301 8.301 8.982 -0.681 18053 9063 1 14 . 1 1 81 81 VAL N N 511 127.002 127.002 127.339 -0.337 18053 9064 1 14 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.533 0.063 18053 9065 1 14 . 1 1 81 81 VAL C C 511 176.667 176.667 175.171 1.496 18053 9066 1 14 . 1 1 81 81 VAL CA C 511 61.382 61.382 61.180 0.202 18053 9067 1 14 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.666 0.279 18053 9068 1 14 . 1 1 81 81 VAL H H 511 8.796 8.796 8.662 0.134 18053 9069 1 14 . 1 1 82 82 TRP N N 512 131.479 131.479 128.845 2.634 18053 9070 1 14 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.160 0.178 18053 9071 1 14 . 1 1 82 82 TRP C C 512 176.885 176.885 174.840 2.045 18053 9072 1 14 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.134 0.308 18053 9073 1 14 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.999 -1.298 18053 9074 1 14 . 1 1 82 82 TRP H H 512 9.924 9.924 9.001 0.923 18053 9075 1 14 . 1 1 83 83 ALA N N 513 123.954 123.954 120.838 3.116 18053 9076 1 14 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.717 -0.409 18053 9077 1 14 . 1 1 83 83 ALA C C 513 178.140 178.140 178.533 -0.393 18053 9078 1 14 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.928 1.283 18053 9079 1 14 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.072 -1.327 18053 9080 1 14 . 1 1 83 83 ALA H H 513 9.048 9.048 8.511 0.537 18053 9081 1 14 . 1 1 84 84 ALA N N 514 125.146 125.146 125.906 -0.760 18053 9082 1 14 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.068 -0.117 18053 9083 1 14 . 1 1 84 84 ALA C C 514 179.519 179.519 178.759 0.760 18053 9084 1 14 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.868 -0.064 18053 9085 1 14 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.982 -0.400 18053 9086 1 14 . 1 1 84 84 ALA H H 514 8.341 8.341 8.434 -0.093 18053 9087 1 14 . 1 1 85 85 GLY N N 515 103.388 103.388 104.972 -1.584 18053 9088 1 14 . 1 1 85 85 GLY C C 515 174.674 174.674 174.435 0.239 18053 9089 1 14 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.046 0.832 18053 9090 1 14 . 1 1 85 85 GLY H H 515 7.996 7.996 7.897 0.099 18053 9091 1 14 . 1 1 86 86 ALA N N 516 120.140 120.140 123.458 -3.318 18053 9092 1 14 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.646 -0.302 18053 9093 1 14 . 1 1 86 86 ALA C C 516 177.690 177.690 178.190 -0.500 18053 9094 1 14 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.828 1.311 18053 9095 1 14 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.242 1.305 18053 9096 1 14 . 1 1 86 86 ALA H H 516 7.474 7.474 7.291 0.183 18053 9097 1 14 . 1 1 87 87 GLY N N 517 105.720 105.720 107.544 -1.824 18053 9098 1 14 . 1 1 87 87 GLY C C 517 173.650 173.650 174.624 -0.974 18053 9099 1 14 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.401 0.613 18053 9100 1 14 . 1 1 87 87 GLY H H 517 7.779 7.779 7.928 -0.149 18053 9101 1 14 . 1 1 88 88 VAL N N 518 121.537 121.537 119.494 2.043 18053 9102 1 14 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.054 -0.469 18053 9103 1 14 . 1 1 88 88 VAL C C 518 174.851 174.851 175.076 -0.225 18053 9104 1 14 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.953 0.320 18053 9105 1 14 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.118 0.258 18053 9106 1 14 . 1 1 88 88 VAL H H 518 7.499 7.499 7.664 -0.165 18053 9107 1 14 . 1 1 89 89 ALA N N 519 128.295 128.295 129.579 -1.284 18053 9108 1 14 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.363 -0.171 18053 9109 1 14 . 1 1 89 89 ALA C C 519 176.680 176.680 176.595 0.085 18053 9110 1 14 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.350 -0.067 18053 9111 1 14 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.120 0.172 18053 9112 1 14 . 1 1 89 89 ALA H H 519 7.960 7.960 8.064 -0.104 18053 9113 1 14 . 1 1 90 90 HIS N N 520 122.643 122.643 124.609 -1.966 18053 9114 1 14 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.327 -0.294 18053 9115 1 14 . 1 1 90 90 HIS C C 520 175.793 175.793 174.344 1.449 18053 9116 1 14 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.076 2.577 18053 9117 1 14 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.662 2.623 18053 9118 1 14 . 1 1 90 90 HIS H H 520 8.394 8.394 8.894 -0.500 18053 9119 1 14 . 1 1 91 91 SER N N 521 121.247 121.247 124.066 -2.819 18053 9120 1 14 . 1 1 91 91 SER HA H 521 4.629 4.629 4.669 -0.040 18053 9121 1 14 . 1 1 91 91 SER CA C 521 55.843 55.843 55.971 -0.128 18053 9122 1 14 . 1 1 91 91 SER CB C 521 62.367 62.367 63.608 -1.241 18053 9123 1 14 . 1 1 91 91 SER H H 521 8.569 8.569 8.311 0.258 18053 9124 1 14 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.627 -0.625 18053 9125 1 14 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.499 -0.255 18053 9126 1 14 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.337 -0.406 18053 9127 1 14 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.856 -0.184 18053 9128 1 14 . 1 1 93 93 PRO C C 523 177.786 177.786 177.681 0.105 18053 9129 1 14 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.745 0.258 18053 9130 1 14 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.625 2.280 18053 9131 1 14 . 1 1 94 94 SER N N 524 117.212 117.212 117.465 -0.253 18053 9132 1 14 . 1 1 94 94 SER HA H 524 4.678 4.678 4.646 0.032 18053 9133 1 14 . 1 1 94 94 SER C C 524 174.851 174.851 174.763 0.088 18053 9134 1 14 . 1 1 94 94 SER CA C 524 61.874 61.874 61.175 0.699 18053 9135 1 14 . 1 1 94 94 SER CB C 524 64.057 64.057 64.030 0.027 18053 9136 1 14 . 1 1 94 94 SER H H 524 8.463 8.463 7.906 0.557 18053 9137 1 14 . 1 1 95 95 THR N N 525 121.588 121.588 119.913 1.675 18053 9138 1 14 . 1 1 95 95 THR HA H 525 4.859 4.859 4.820 0.039 18053 9139 1 14 . 1 1 95 95 THR C C 525 172.094 172.094 173.080 -0.986 18053 9140 1 14 . 1 1 95 95 THR CA C 525 62.309 62.309 62.327 -0.018 18053 9141 1 14 . 1 1 95 95 THR CB C 525 70.281 70.281 68.620 1.661 18053 9142 1 14 . 1 1 95 95 THR H H 525 7.631 7.631 8.043 -0.412 18053 9143 1 14 . 1 1 96 96 LEU N N 526 127.274 127.274 128.875 -1.601 18053 9144 1 14 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.762 0.369 18053 9145 1 14 . 1 1 96 96 LEU C C 526 175.916 175.916 175.651 0.265 18053 9146 1 14 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.671 -2.596 18053 9147 1 14 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.501 0.289 18053 9148 1 14 . 1 1 96 96 LEU H H 526 8.977 8.977 8.116 0.861 18053 9149 1 14 . 1 1 97 97 VAL N N 527 124.056 124.056 120.845 3.211 18053 9150 1 14 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.417 0.452 18053 9151 1 14 . 1 1 97 97 VAL C C 527 176.230 176.230 175.069 1.161 18053 9152 1 14 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.936 0.583 18053 9153 1 14 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.438 -0.735 18053 9154 1 14 . 1 1 97 97 VAL H H 527 10.724 10.724 7.813 2.911 18053 9155 1 14 . 1 1 98 98 TRP N N 528 132.586 132.586 130.473 2.113 18053 9156 1 14 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.583 0.382 18053 9157 1 14 . 1 1 98 98 TRP C C 528 173.391 173.391 174.678 -1.287 18053 9158 1 14 . 1 1 98 98 TRP CA C 528 53.303 53.303 54.727 -1.424 18053 9159 1 14 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.360 -0.115 18053 9160 1 14 . 1 1 98 98 TRP H H 528 9.400 9.400 8.337 1.063 18053 9161 1 14 . 1 1 99 99 LYS N N 529 126.644 126.644 129.214 -2.570 18053 9162 1 14 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.065 -0.226 18053 9163 1 14 . 1 1 99 99 LYS C C 529 177.581 177.581 176.918 0.663 18053 9164 1 14 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.363 1.180 18053 9165 1 14 . 1 1 99 99 LYS CB C 529 32.176 32.176 31.735 0.441 18053 9166 1 14 . 1 1 99 99 LYS H H 529 8.153 8.153 8.068 0.085 18053 9167 1 14 . 1 1 100 100 GLY N N 530 110.385 110.385 114.019 -3.634 18053 9168 1 14 . 1 1 100 100 GLY C C 530 172.367 172.367 173.627 -1.260 18053 9169 1 14 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.819 0.459 18053 9170 1 14 . 1 1 100 100 GLY H H 530 8.363 8.363 8.501 -0.138 18053 9171 1 14 . 1 1 101 101 GLN N N 531 121.162 121.162 122.371 -1.209 18053 9172 1 14 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.152 -0.180 18053 9173 1 14 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.011 -1.391 18053 9174 1 14 . 1 1 101 101 GLN CB C 531 27.595 27.595 27.560 0.035 18053 9175 1 14 . 1 1 101 101 GLN H H 531 6.815 6.815 7.531 -0.716 18053 9176 1 14 . 1 1 102 102 SER N N 532 122.728 122.728 122.329 0.399 18053 9177 1 14 . 1 1 102 102 SER HA H 532 3.866 3.866 4.219 -0.353 18053 9178 1 14 . 1 1 102 102 SER C C 532 174.537 174.537 175.793 -1.256 18053 9179 1 14 . 1 1 102 102 SER CA C 532 61.983 61.983 62.008 -0.025 18053 9180 1 14 . 1 1 102 102 SER CB C 532 62.802 62.802 62.878 -0.076 18053 9181 1 14 . 1 1 102 102 SER H H 532 8.662 8.662 8.257 0.405 18053 9182 1 14 . 1 1 103 103 SER N N 533 110.811 110.811 116.267 -5.456 18053 9183 1 14 . 1 1 103 103 SER HA H 533 4.240 4.240 4.284 -0.044 18053 9184 1 14 . 1 1 103 103 SER C C 533 174.087 174.087 174.866 -0.779 18053 9185 1 14 . 1 1 103 103 SER CA C 533 56.633 56.633 58.271 -1.638 18053 9186 1 14 . 1 1 103 103 SER CB C 533 64.658 64.658 63.252 1.406 18053 9187 1 14 . 1 1 103 103 SER H H 533 7.134 7.134 8.164 -1.030 18053 9188 1 14 . 1 1 104 104 TRP N N 534 126.133 126.133 121.849 4.284 18053 9189 1 14 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.142 -0.044 18053 9190 1 14 . 1 1 104 104 TRP C C 534 176.066 176.066 175.705 0.361 18053 9191 1 14 . 1 1 104 104 TRP CA C 534 60.127 60.127 56.800 3.327 18053 9192 1 14 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.338 0.426 18053 9193 1 14 . 1 1 104 104 TRP H H 534 9.764 9.764 8.192 1.572 18053 9194 1 14 . 1 1 105 105 GLY N N 535 105.907 105.907 105.208 0.699 18053 9195 1 14 . 1 1 105 105 GLY C C 535 172.217 172.217 173.170 -0.953 18053 9196 1 14 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.873 -0.632 18053 9197 1 14 . 1 1 105 105 GLY H H 535 8.095 8.095 7.532 0.563 18053 9198 1 14 . 1 1 106 106 THR N N 536 111.253 111.253 112.280 -1.027 18053 9199 1 14 . 1 1 106 106 THR HA H 536 3.859 3.859 4.641 -0.782 18053 9200 1 14 . 1 1 106 106 THR C C 536 172.872 172.872 174.041 -1.169 18053 9201 1 14 . 1 1 106 106 THR CA C 536 59.635 59.635 61.191 -1.556 18053 9202 1 14 . 1 1 106 106 THR CB C 536 70.526 70.526 69.448 1.078 18053 9203 1 14 . 1 1 106 106 THR H H 536 7.913 7.913 7.692 0.221 18053 9204 1 14 . 1 1 107 107 GLY N N 537 107.712 107.712 113.827 -6.115 18053 9205 1 14 . 1 1 107 107 GLY C C 537 172.709 172.709 172.890 -0.181 18053 9206 1 14 . 1 1 107 107 GLY CA C 537 45.166 45.166 44.741 0.425 18053 9207 1 14 . 1 1 107 107 GLY H H 537 7.533 7.533 7.963 -0.430 18053 9208 1 14 . 1 1 108 108 GLU N N 538 118.864 118.864 118.225 0.639 18053 9209 1 14 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.219 -0.083 18053 9210 1 14 . 1 1 108 108 GLU C C 538 176.353 176.353 175.474 0.879 18053 9211 1 14 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.097 0.255 18053 9212 1 14 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.146 0.010 18053 9213 1 14 . 1 1 108 108 GLU H H 538 8.558 8.558 8.763 -0.205 18053 9214 1 14 . 1 1 109 109 SER N N 539 110.419 110.419 111.848 -1.429 18053 9215 1 14 . 1 1 109 109 SER HA H 539 4.963 4.963 4.881 0.082 18053 9216 1 14 . 1 1 109 109 SER C C 539 173.787 173.787 172.549 1.238 18053 9217 1 14 . 1 1 109 109 SER CA C 539 57.125 57.125 57.073 0.052 18053 9218 1 14 . 1 1 109 109 SER CB C 539 64.439 64.439 64.564 -0.125 18053 9219 1 14 . 1 1 109 109 SER H H 539 7.620 7.620 7.600 0.020 18053 9220 1 14 . 1 1 110 110 PHE N N 540 118.778 118.778 119.262 -0.484 18053 9221 1 14 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.316 -0.235 18053 9222 1 14 . 1 1 110 110 PHE C C 540 176.052 176.052 173.218 2.834 18053 9223 1 14 . 1 1 110 110 PHE CA C 540 56.789 56.789 55.819 0.970 18053 9224 1 14 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.438 -1.678 18053 9225 1 14 . 1 1 110 110 PHE H H 540 8.318 8.318 8.333 -0.015 18053 9226 1 14 . 1 1 112 112 THR HA H 542 5.468 5.468 5.240 0.228 18053 9227 1 14 . 1 1 112 112 THR C C 542 172.381 172.381 173.571 -1.190 18053 9228 1 14 . 1 1 112 112 THR CA C 542 61.818 61.818 62.440 -0.622 18053 9229 1 14 . 1 1 112 112 THR CB C 542 70.990 70.990 69.709 1.281 18053 9230 1 14 . 1 1 113 113 VAL N N 543 124.771 124.771 128.223 -3.452 18053 9231 1 14 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.638 0.226 18053 9232 1 14 . 1 1 113 113 VAL C C 543 173.132 173.132 174.009 -0.877 18053 9233 1 14 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.932 -0.833 18053 9234 1 14 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.442 1.991 18053 9235 1 14 . 1 1 113 113 VAL H H 543 9.380 9.380 9.120 0.260 18053 9236 1 14 . 1 1 114 114 LEU N N 544 128.789 128.789 130.991 -2.202 18053 9237 1 14 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.252 0.068 18053 9238 1 14 . 1 1 114 114 LEU C C 544 174.237 174.237 175.044 -0.807 18053 9239 1 14 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.836 -0.643 18053 9240 1 14 . 1 1 114 114 LEU CB C 544 45.879 45.879 43.045 2.834 18053 9241 1 14 . 1 1 114 114 LEU H H 544 8.948 8.948 8.335 0.613 18053 9242 1 14 . 1 1 115 115 VAL N N 545 127.002 127.002 127.045 -0.043 18053 9243 1 14 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.426 0.428 18053 9244 1 14 . 1 1 115 115 VAL C C 545 175.206 175.206 175.067 0.139 18053 9245 1 14 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.164 -0.830 18053 9246 1 14 . 1 1 115 115 VAL CB C 545 34.495 34.495 33.534 0.961 18053 9247 1 14 . 1 1 115 115 VAL H H 545 9.564 9.564 8.586 0.978 18053 9248 1 14 . 1 1 116 116 ASN N N 546 121.179 121.179 122.622 -1.443 18053 9249 1 14 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.844 -0.947 18053 9250 1 14 . 1 1 116 116 ASN C C 546 176.885 176.885 174.768 2.117 18053 9251 1 14 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.178 -0.769 18053 9252 1 14 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.950 -3.311 18053 9253 1 14 . 1 1 116 116 ASN H H 546 8.016 8.016 7.740 0.276 18053 9254 1 14 . 1 1 117 117 ALA N N 547 119.834 119.834 121.123 -1.289 18053 9255 1 14 . 1 1 117 117 ALA HA H 547 3.866 3.866 3.987 -0.121 18053 9256 1 14 . 1 1 117 117 ALA C C 547 177.772 177.772 178.176 -0.404 18053 9257 1 14 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.391 0.114 18053 9258 1 14 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.641 -0.441 18053 9259 1 14 . 1 1 117 117 ALA H H 547 6.444 6.444 8.145 -1.701 18053 9260 1 14 . 1 1 118 118 ASP N N 548 115.646 115.646 117.739 -2.093 18053 9261 1 14 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.388 0.256 18053 9262 1 14 . 1 1 118 118 ASP C C 548 176.052 176.052 177.582 -1.530 18053 9263 1 14 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.221 -1.154 18053 9264 1 14 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.307 0.367 18053 9265 1 14 . 1 1 118 118 ASP H H 548 7.181 7.181 8.122 -0.941 18053 9266 1 14 . 1 1 119 119 GLY N N 549 107.167 107.167 107.402 -0.235 18053 9267 1 14 . 1 1 119 119 GLY C C 549 173.841 173.841 173.825 0.016 18053 9268 1 14 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.684 0.771 18053 9269 1 14 . 1 1 119 119 GLY H H 549 7.738 7.738 7.615 0.123 18053 9270 1 14 . 1 1 120 120 GLU N N 550 121.196 121.196 121.324 -0.128 18053 9271 1 14 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.237 -0.125 18053 9272 1 14 . 1 1 120 120 GLU C C 550 175.588 175.588 175.968 -0.380 18053 9273 1 14 . 1 1 120 120 GLU CA C 550 54.831 54.831 56.054 -1.223 18053 9274 1 14 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.256 -0.319 18053 9275 1 14 . 1 1 120 120 GLU H H 550 7.587 7.587 7.758 -0.171 18053 9276 1 14 . 1 1 121 121 GLU N N 551 123.886 123.886 122.479 1.407 18053 9277 1 14 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.197 0.079 18053 9278 1 14 . 1 1 121 121 GLU C C 551 176.817 176.817 176.690 0.127 18053 9279 1 14 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.485 0.311 18053 9280 1 14 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.851 0.104 18053 9281 1 14 . 1 1 121 121 GLU H H 551 8.697 8.697 8.592 0.105 18053 9282 1 14 . 1 1 122 122 VAL N N 552 120.055 120.055 119.033 1.022 18053 9283 1 14 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.077 0.287 18053 9284 1 14 . 1 1 122 122 VAL C C 552 175.998 175.998 174.980 1.018 18053 9285 1 14 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.507 -0.852 18053 9286 1 14 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.274 0.775 18053 9287 1 14 . 1 1 122 122 VAL H H 552 8.845 8.845 7.804 1.041 18053 9288 1 14 . 1 1 123 123 ALA N N 553 122.098 122.098 120.075 2.023 18053 9289 1 14 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.651 0.239 18053 9290 1 14 . 1 1 123 123 ALA C C 553 175.261 175.261 174.759 0.502 18053 9291 1 14 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.461 1.296 18053 9292 1 14 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.746 0.521 18053 9293 1 14 . 1 1 123 123 ALA H H 553 7.788 7.788 7.567 0.221 18053 9294 1 14 . 1 1 124 124 MET N N 554 118.217 118.217 121.727 -3.510 18053 9295 1 14 . 1 1 124 124 MET HA H 554 5.286 5.286 5.179 0.107 18053 9296 1 14 . 1 1 124 124 MET C C 554 174.428 174.428 174.351 0.077 18053 9297 1 14 . 1 1 124 124 MET CA C 554 55.104 55.104 55.310 -0.207 18053 9298 1 14 . 1 1 124 124 MET CB C 554 35.342 35.342 36.464 -1.122 18053 9299 1 14 . 1 1 124 124 MET H H 554 8.693 8.693 8.390 0.303 18053 9300 1 14 . 1 1 125 125 ARG N N 555 122.132 122.132 127.078 -4.946 18053 9301 1 14 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.688 0.212 18053 9302 1 14 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.989 0.399 18053 9303 1 14 . 1 1 125 125 ARG CB C 555 34.378 34.378 34.174 0.204 18053 9304 1 14 . 1 1 125 125 ARG H H 555 8.919 8.919 9.047 -0.128 18053 9305 1 14 . 1 1 126 126 THR HA H 556 4.685 4.685 4.692 -0.007 18053 9306 1 14 . 1 1 126 126 THR C C 556 172.436 172.436 173.723 -1.287 18053 9307 1 14 . 1 1 126 126 THR CA C 556 61.382 61.382 61.884 -0.502 18053 9308 1 14 . 1 1 126 126 THR CB C 556 70.444 70.444 69.437 1.007 18053 9309 1 14 . 1 1 127 127 VAL N N 557 124.976 124.976 128.879 -3.903 18053 9310 1 14 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.053 0.093 18053 9311 1 14 . 1 1 127 127 VAL C C 557 173.937 173.937 174.214 -0.277 18053 9312 1 14 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.971 0.138 18053 9313 1 14 . 1 1 127 127 VAL CB C 557 33.759 33.759 32.842 0.917 18053 9314 1 14 . 1 1 127 127 VAL H H 557 8.127 8.127 8.629 -0.502 18053 9315 1 14 . 1 1 128 128 LYS N N 558 125.384 125.384 127.336 -1.952 18053 9316 1 14 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.505 0.201 18053 9317 1 14 . 1 1 128 128 LYS C C 558 175.534 175.534 175.772 -0.238 18053 9318 1 14 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.977 0.909 18053 9319 1 14 . 1 1 128 128 LYS CB C 558 34.673 34.673 32.920 1.753 18053 9320 1 14 . 1 1 128 128 LYS H H 558 8.289 8.289 8.591 -0.302 18053 9321 1 14 . 1 1 129 129 LYS N N 559 124.005 124.005 127.775 -3.770 18053 9322 1 14 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.014 0.296 18053 9323 1 14 . 1 1 129 129 LYS C C 559 176.571 176.571 175.861 0.710 18053 9324 1 14 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.480 -0.738 18053 9325 1 14 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.792 1.570 18053 9326 1 14 . 1 1 129 129 LYS H H 559 8.461 8.461 8.206 0.255 18053 9327 1 14 . 1 1 130 130 SER N N 560 117.195 117.195 121.855 -4.660 18053 9328 1 14 . 1 1 130 130 SER HA H 560 4.384 4.384 4.360 0.024 18053 9329 1 14 . 1 1 130 130 SER C C 560 174.565 174.565 174.142 0.423 18053 9330 1 14 . 1 1 130 130 SER CA C 560 58.434 58.434 59.807 -1.373 18053 9331 1 14 . 1 1 130 130 SER CB C 560 63.812 63.812 63.858 -0.046 18053 9332 1 14 . 1 1 130 130 SER H H 560 8.465 8.465 8.369 0.096 18053 9333 1 14 . 1 1 131 131 SER N N 561 118.149 118.149 114.183 3.966 18053 9334 1 14 . 1 1 131 131 SER HA H 561 4.412 4.412 4.611 -0.199 18053 9335 1 14 . 1 1 131 131 SER C C 561 174.456 174.456 173.682 0.774 18053 9336 1 14 . 1 1 131 131 SER CA C 561 58.489 58.489 57.767 0.722 18053 9337 1 14 . 1 1 131 131 SER CB C 561 63.811 63.811 64.948 -1.137 18053 9338 1 14 . 1 1 131 131 SER H H 561 8.336 8.336 7.947 0.389 18053 9339 1 14 . 1 1 132 132 VAL N N 562 121.332 121.332 116.848 4.484 18053 9340 1 14 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.458 -0.423 18053 9341 1 14 . 1 1 132 132 VAL C C 562 176.066 176.066 175.880 0.186 18053 9342 1 14 . 1 1 132 132 VAL CA C 562 62.446 62.446 61.889 0.557 18053 9343 1 14 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.442 0.952 18053 9344 1 14 . 1 1 132 132 VAL H H 562 7.982 7.982 8.506 -0.524 18053 9345 1 14 . 1 1 133 133 MET N N 563 124.022 124.022 119.099 4.923 18053 9346 1 14 . 1 1 133 133 MET HA H 563 4.385 4.385 4.287 0.098 18053 9347 1 14 . 1 1 133 133 MET C C 563 176.039 176.039 176.746 -0.707 18053 9348 1 14 . 1 1 133 133 MET CA C 563 55.350 55.350 57.158 -1.808 18053 9349 1 14 . 1 1 133 133 MET CB C 563 32.503 32.503 32.487 0.016 18053 9350 1 14 . 1 1 133 133 MET H H 563 8.295 8.295 7.767 0.528 18053 9351 1 14 . 1 1 134 134 ARG N N 564 122.677 122.677 119.374 3.303 18053 9352 1 14 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.456 -0.194 18053 9353 1 14 . 1 1 134 134 ARG C C 564 176.298 176.298 175.032 1.266 18053 9354 1 14 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.578 0.509 18053 9355 1 14 . 1 1 134 134 ARG CB C 564 30.702 30.702 32.148 -1.446 18053 9356 1 14 . 1 1 134 134 ARG H H 564 8.295 8.295 7.778 0.517 18053 9357 1 14 . 1 1 135 135 GLU N N 565 121.945 121.945 120.665 1.280 18053 9358 1 14 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.156 0.004 18053 9359 1 14 . 1 1 135 135 GLU C C 565 176.080 176.080 174.985 1.095 18053 9360 1 14 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.199 0.707 18053 9361 1 14 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.462 0.312 18053 9362 1 14 . 1 1 135 135 GLU H H 565 8.470 8.470 8.666 -0.196 18053 9363 1 14 . 1 1 136 136 ASN N N 566 118.761 118.761 120.615 -1.854 18053 9364 1 14 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.575 0.042 18053 9365 1 14 . 1 1 136 136 ASN C C 566 175.315 175.315 175.807 -0.492 18053 9366 1 14 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.747 -0.554 18053 9367 1 14 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.150 0.686 18053 9368 1 14 . 1 1 136 136 ASN H H 566 8.341 8.341 8.468 -0.127 18053 9369 1 14 . 1 1 137 137 GLU N N 567 121.349 121.349 125.596 -4.247 18053 9370 1 14 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.432 -0.280 18053 9371 1 14 . 1 1 137 137 GLU C C 567 176.243 176.243 177.271 -1.028 18053 9372 1 14 . 1 1 137 137 GLU CA C 567 56.906 56.906 56.700 0.206 18053 9373 1 14 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.663 0.330 18053 9374 1 14 . 1 1 137 137 GLU H H 567 8.349 8.349 8.664 -0.315 18053 9375 1 14 . 1 1 138 138 ASN N N 568 118.761 118.761 118.835 -0.074 18053 9376 1 14 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.718 -0.006 18053 9377 1 14 . 1 1 138 138 ASN C C 568 174.551 174.551 176.781 -2.230 18053 9378 1 14 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.512 -0.319 18053 9379 1 14 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.881 0.446 18053 9380 1 14 . 1 1 138 138 ASN H H 568 8.397 8.397 8.408 -0.011 18053 9381 1 15 . 1 1 20 20 ALA N N 450 125.180 125.180 127.616 -2.436 18053 9382 1 15 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.789 -0.083 18053 9383 1 15 . 1 1 20 20 ALA C C 450 177.226 177.226 176.499 0.727 18053 9384 1 15 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.934 0.823 18053 9385 1 15 . 1 1 20 20 ALA CB C 450 20.411 20.411 20.235 0.176 18053 9386 1 15 . 1 1 20 20 ALA H H 450 8.484 8.484 8.600 -0.116 18053 9387 1 15 . 1 1 21 21 SER N N 451 115.714 115.714 116.968 -1.254 18053 9388 1 15 . 1 1 21 21 SER HA H 451 4.513 4.513 4.426 0.087 18053 9389 1 15 . 1 1 21 21 SER C C 451 174.742 174.742 175.605 -0.863 18053 9390 1 15 . 1 1 21 21 SER CA C 451 58.516 58.516 58.015 0.501 18053 9391 1 15 . 1 1 21 21 SER CB C 451 64.159 64.159 62.059 2.100 18053 9392 1 15 . 1 1 21 21 SER H H 451 8.487 8.487 8.411 0.076 18053 9393 1 15 . 1 1 22 22 GLY N N 452 111.509 111.509 116.294 -4.785 18053 9394 1 15 . 1 1 22 22 GLY C C 452 174.401 174.401 175.215 -0.814 18053 9395 1 15 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.340 -0.281 18053 9396 1 15 . 1 1 22 22 GLY H H 452 8.198 8.198 8.448 -0.250 18053 9397 1 15 . 1 1 23 23 SER N N 453 116.191 116.191 114.572 1.619 18053 9398 1 15 . 1 1 23 23 SER HA H 453 4.364 4.364 4.378 -0.014 18053 9399 1 15 . 1 1 23 23 SER C C 453 173.432 173.432 174.186 -0.754 18053 9400 1 15 . 1 1 23 23 SER CA C 453 59.744 59.744 61.249 -1.505 18053 9401 1 15 . 1 1 23 23 SER CB C 453 64.335 64.335 64.358 -0.023 18053 9402 1 15 . 1 1 23 23 SER H H 453 8.494 8.494 8.265 0.229 18053 9403 1 15 . 1 1 24 24 VAL N N 454 121.656 121.656 117.746 3.910 18053 9404 1 15 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.739 0.296 18053 9405 1 15 . 1 1 24 24 VAL C C 454 174.606 174.606 174.507 0.099 18053 9406 1 15 . 1 1 24 24 VAL CA C 454 61.055 61.055 60.786 0.269 18053 9407 1 15 . 1 1 24 24 VAL CB C 454 32.503 32.503 35.671 -3.168 18053 9408 1 15 . 1 1 24 24 VAL H H 454 7.830 7.830 7.896 -0.066 18053 9409 1 15 . 1 1 25 25 SER N N 455 119.323 119.323 118.428 0.895 18053 9410 1 15 . 1 1 25 25 SER HA H 455 4.672 4.672 4.906 -0.234 18053 9411 1 15 . 1 1 25 25 SER C C 455 174.426 174.426 173.187 1.239 18053 9412 1 15 . 1 1 25 25 SER CA C 455 55.268 55.268 55.371 -0.103 18053 9413 1 15 . 1 1 25 25 SER CB C 455 65.162 65.162 65.985 -0.823 18053 9414 1 15 . 1 1 25 25 SER H H 455 9.065 9.065 8.779 0.286 18053 9415 1 15 . 1 1 26 26 ILE N N 456 119.468 119.468 125.278 -5.810 18053 9416 1 15 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.124 0.056 18053 9417 1 15 . 1 1 26 26 ILE C C 456 175.506 175.506 176.168 -0.662 18053 9418 1 15 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.126 -0.798 18053 9419 1 15 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.515 0.447 18053 9420 1 15 . 1 1 26 26 ILE H H 456 8.295 8.295 8.766 -0.471 18053 9421 1 15 . 1 1 27 27 GLU N N 457 129.726 129.726 127.803 1.923 18053 9422 1 15 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.270 -0.042 18053 9423 1 15 . 1 1 27 27 GLU C C 457 175.179 175.179 176.574 -1.395 18053 9424 1 15 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.763 -3.331 18053 9425 1 15 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.760 -0.618 18053 9426 1 15 . 1 1 27 27 GLU H H 457 8.393 8.393 8.416 -0.023 18053 9427 1 15 . 1 1 28 28 GLU N N 458 117.076 117.076 116.890 0.186 18053 9428 1 15 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.613 -0.445 18053 9429 1 15 . 1 1 28 28 GLU C C 458 174.701 174.701 174.648 0.053 18053 9430 1 15 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.224 1.682 18053 9431 1 15 . 1 1 28 28 GLU CB C 458 31.848 31.848 32.683 -0.835 18053 9432 1 15 . 1 1 28 28 GLU H H 458 7.489 7.489 7.861 -0.372 18053 9433 1 15 . 1 1 29 29 ILE N N 459 122.183 122.183 120.783 1.400 18053 9434 1 15 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.016 -0.252 18053 9435 1 15 . 1 1 29 29 ILE C C 459 174.169 174.169 174.412 -0.243 18053 9436 1 15 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.272 0.254 18053 9437 1 15 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.908 -1.599 18053 9438 1 15 . 1 1 29 29 ILE H H 459 8.126 8.126 8.283 -0.157 18053 9439 1 15 . 1 1 30 30 ASP N N 460 123.205 123.205 124.506 -1.301 18053 9440 1 15 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.145 0.038 18053 9441 1 15 . 1 1 30 30 ASP C C 460 178.318 178.318 177.588 0.730 18053 9442 1 15 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.979 -0.049 18053 9443 1 15 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.263 0.544 18053 9444 1 15 . 1 1 30 30 ASP H H 460 6.704 6.704 7.041 -0.337 18053 9445 1 15 . 1 1 31 31 LEU N N 461 128.551 128.551 121.761 6.790 18053 9446 1 15 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.079 -0.015 18053 9447 1 15 . 1 1 31 31 LEU C C 461 177.513 177.513 177.418 0.095 18053 9448 1 15 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.097 0.027 18053 9449 1 15 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.802 -0.565 18053 9450 1 15 . 1 1 31 31 LEU H H 461 9.012 9.012 8.210 0.802 18053 9451 1 15 . 1 1 32 32 GLU N N 462 115.101 115.101 117.412 -2.311 18053 9452 1 15 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.223 0.060 18053 9453 1 15 . 1 1 32 32 GLU C C 462 177.062 177.062 177.093 -0.031 18053 9454 1 15 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.279 -1.520 18053 9455 1 15 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.518 -0.949 18053 9456 1 15 . 1 1 32 32 GLU H H 462 7.588 7.588 7.908 -0.320 18053 9457 1 15 . 1 1 33 33 GLY N N 463 106.299 106.299 105.674 0.625 18053 9458 1 15 . 1 1 33 33 GLY C C 463 174.824 174.824 174.843 -0.019 18053 9459 1 15 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.921 1.885 18053 9460 1 15 . 1 1 33 33 GLY H H 463 7.372 7.372 7.853 -0.481 18053 9461 1 15 . 1 1 34 34 LYS N N 464 118.744 118.744 118.670 0.074 18053 9462 1 15 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.470 0.092 18053 9463 1 15 . 1 1 34 34 LYS C C 464 177.076 177.076 174.964 2.112 18053 9464 1 15 . 1 1 34 34 LYS CA C 464 59.963 59.963 56.900 3.063 18053 9465 1 15 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.885 -0.774 18053 9466 1 15 . 1 1 34 34 LYS H H 464 9.547 9.547 8.217 1.330 18053 9467 1 15 . 1 1 35 35 PHE N N 465 109.125 109.125 112.775 -3.650 18053 9468 1 15 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.864 0.650 18053 9469 1 15 . 1 1 35 35 PHE C C 465 174.183 174.183 172.662 1.521 18053 9470 1 15 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.112 1.520 18053 9471 1 15 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.965 -0.366 18053 9472 1 15 . 1 1 35 35 PHE H H 465 6.740 6.740 6.988 -0.248 18053 9473 1 15 . 1 1 36 36 VAL N N 466 119.579 119.579 118.285 1.294 18053 9474 1 15 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.112 -0.403 18053 9475 1 15 . 1 1 36 36 VAL C C 466 172.668 172.668 174.106 -1.438 18053 9476 1 15 . 1 1 36 36 VAL CA C 466 62.692 62.692 60.812 1.880 18053 9477 1 15 . 1 1 36 36 VAL CB C 466 36.215 36.215 35.466 0.749 18053 9478 1 15 . 1 1 36 36 VAL H H 466 7.628 7.628 8.138 -0.510 18053 9479 1 15 . 1 1 37 37 GLN N N 467 126.831 126.831 125.754 1.077 18053 9480 1 15 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.970 0.479 18053 9481 1 15 . 1 1 37 37 GLN C C 467 174.797 174.797 174.285 0.512 18053 9482 1 15 . 1 1 37 37 GLN CA C 467 54.121 54.121 53.757 0.364 18053 9483 1 15 . 1 1 37 37 GLN CB C 467 34.623 34.623 30.233 4.391 18053 9484 1 15 . 1 1 37 37 GLN H H 467 8.392 8.392 8.681 -0.289 18053 9485 1 15 . 1 1 38 38 LEU N N 468 123.018 123.018 126.380 -3.362 18053 9486 1 15 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.175 0.247 18053 9487 1 15 . 1 1 38 38 LEU C C 468 175.588 175.588 176.169 -0.581 18053 9488 1 15 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.826 -1.124 18053 9489 1 15 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.122 0.924 18053 9490 1 15 . 1 1 38 38 LEU H H 468 9.103 9.103 9.076 0.027 18053 9491 1 15 . 1 1 39 39 LYS N N 469 118.983 118.983 119.982 -0.999 18053 9492 1 15 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.769 0.083 18053 9493 1 15 . 1 1 39 39 LYS C C 469 173.309 173.309 174.499 -1.190 18053 9494 1 15 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.391 0.603 18053 9495 1 15 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.381 1.865 18053 9496 1 15 . 1 1 39 39 LYS H H 469 8.496 8.496 8.637 -0.141 18053 9497 1 15 . 1 1 40 40 ASN N N 470 121.758 121.758 125.027 -3.269 18053 9498 1 15 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.870 -0.082 18053 9499 1 15 . 1 1 40 40 ASN C C 470 174.496 174.496 175.330 -0.834 18053 9500 1 15 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.506 -1.387 18053 9501 1 15 . 1 1 40 40 ASN CB C 470 37.559 37.559 38.594 -1.035 18053 9502 1 15 . 1 1 40 40 ASN H H 470 8.283 8.283 8.663 -0.380 18053 9503 1 15 . 1 1 41 41 ASN N N 471 122.422 122.422 124.621 -2.199 18053 9504 1 15 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.638 -0.050 18053 9505 1 15 . 1 1 41 41 ASN C C 471 174.810 174.810 175.217 -0.407 18053 9506 1 15 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.967 0.018 18053 9507 1 15 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.028 0.572 18053 9508 1 15 . 1 1 41 41 ASN H H 471 8.681 8.681 8.355 0.326 18053 9509 1 15 . 1 1 42 42 SER N N 472 116.446 116.446 116.397 0.049 18053 9510 1 15 . 1 1 42 42 SER HA H 472 4.719 4.719 4.445 0.274 18053 9511 1 15 . 1 1 42 42 SER C C 472 172.804 172.804 174.252 -1.448 18053 9512 1 15 . 1 1 42 42 SER CA C 472 57.288 57.288 59.182 -1.894 18053 9513 1 15 . 1 1 42 42 SER CB C 472 66.241 66.241 64.069 2.172 18053 9514 1 15 . 1 1 42 42 SER H H 472 8.370 8.370 7.701 0.669 18053 9515 1 15 . 1 1 43 43 ASP N N 473 117.706 117.706 123.133 -5.427 18053 9516 1 15 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.426 0.048 18053 9517 1 15 . 1 1 43 43 ASP C C 473 175.343 175.343 175.946 -0.603 18053 9518 1 15 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.764 -2.243 18053 9519 1 15 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.011 -0.689 18053 9520 1 15 . 1 1 43 43 ASP H H 473 8.254 8.254 8.791 -0.537 18053 9521 1 15 . 1 1 44 44 LYS N N 474 120.209 120.209 117.184 3.025 18053 9522 1 15 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.448 0.121 18053 9523 1 15 . 1 1 44 44 LYS C C 474 175.397 175.397 175.466 -0.069 18053 9524 1 15 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.364 -0.352 18053 9525 1 15 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.033 1.350 18053 9526 1 15 . 1 1 44 44 LYS H H 474 8.305 8.305 7.572 0.733 18053 9527 1 15 . 1 1 45 45 ASP N N 475 124.993 124.993 119.885 5.108 18053 9528 1 15 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.506 -0.531 18053 9529 1 15 . 1 1 45 45 ASP C C 475 174.810 174.810 175.978 -1.168 18053 9530 1 15 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.028 -0.033 18053 9531 1 15 . 1 1 45 45 ASP CB C 475 40.364 40.364 41.212 -0.848 18053 9532 1 15 . 1 1 45 45 ASP H H 475 8.722 8.722 8.436 0.286 18053 9533 1 15 . 1 1 46 46 GLN N N 476 120.549 120.549 122.591 -2.042 18053 9534 1 15 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.592 -0.156 18053 9535 1 15 . 1 1 46 46 GLN C C 476 174.019 174.019 174.558 -0.539 18053 9536 1 15 . 1 1 46 46 GLN CA C 476 53.138 53.138 53.967 -0.829 18053 9537 1 15 . 1 1 46 46 GLN CB C 476 31.466 31.466 30.681 0.785 18053 9538 1 15 . 1 1 46 46 GLN H H 476 7.878 7.878 8.374 -0.496 18053 9539 1 15 . 1 1 47 47 SER N N 477 121.537 121.537 121.402 0.135 18053 9540 1 15 . 1 1 47 47 SER HA H 477 4.229 4.229 4.328 -0.099 18053 9541 1 15 . 1 1 47 47 SER C C 477 174.565 174.565 174.037 0.528 18053 9542 1 15 . 1 1 47 47 SER CA C 477 58.706 58.706 58.797 -0.091 18053 9543 1 15 . 1 1 47 47 SER CB C 477 62.965 62.965 63.070 -0.105 18053 9544 1 15 . 1 1 47 47 SER H H 477 8.748 8.748 8.682 0.066 18053 9545 1 15 . 1 1 48 48 LEU N N 478 127.751 127.751 124.071 3.680 18053 9546 1 15 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.401 -1.770 18053 9547 1 15 . 1 1 48 48 LEU C C 478 176.789 176.789 177.840 -1.051 18053 9548 1 15 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.805 -1.703 18053 9549 1 15 . 1 1 48 48 LEU CB C 478 42.343 42.343 42.933 -0.590 18053 9550 1 15 . 1 1 48 48 LEU H H 478 7.856 7.856 7.789 0.067 18053 9551 1 15 . 1 1 49 49 GLY N N 479 107.525 107.525 106.423 1.102 18053 9552 1 15 . 1 1 49 49 GLY C C 479 176.653 176.653 175.288 1.365 18053 9553 1 15 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.910 2.152 18053 9554 1 15 . 1 1 49 49 GLY H H 479 7.728 7.728 8.954 -1.226 18053 9555 1 15 . 1 1 50 50 ASN N N 480 117.059 117.059 119.553 -2.494 18053 9556 1 15 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.633 -0.378 18053 9557 1 15 . 1 1 50 50 ASN C C 480 174.961 174.961 175.452 -0.491 18053 9558 1 15 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.533 1.827 18053 9559 1 15 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.655 -1.239 18053 9560 1 15 . 1 1 50 50 ASN H H 480 7.552 7.552 8.650 -1.098 18053 9561 1 15 . 1 1 51 51 TRP N N 481 122.166 122.166 118.819 3.347 18053 9562 1 15 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.995 -0.518 18053 9563 1 15 . 1 1 51 51 TRP C C 481 175.575 175.575 175.664 -0.089 18053 9564 1 15 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.114 0.648 18053 9565 1 15 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.496 -2.455 18053 9566 1 15 . 1 1 51 51 TRP H H 481 8.914 8.914 7.865 1.049 18053 9567 1 15 . 1 1 52 52 ARG N N 482 116.480 116.480 117.529 -1.049 18053 9568 1 15 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.321 0.647 18053 9569 1 15 . 1 1 52 52 ARG C C 482 175.807 175.807 174.580 1.227 18053 9570 1 15 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.901 -0.780 18053 9571 1 15 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.438 0.687 18053 9572 1 15 . 1 1 52 52 ARG H H 482 9.147 9.147 9.198 -0.051 18053 9573 1 15 . 1 1 53 53 ILE N N 483 119.579 119.579 123.518 -3.939 18053 9574 1 15 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.926 0.059 18053 9575 1 15 . 1 1 53 53 ILE C C 483 175.670 175.670 175.724 -0.054 18053 9576 1 15 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.439 -0.039 18053 9577 1 15 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.564 1.663 18053 9578 1 15 . 1 1 53 53 ILE H H 483 9.000 9.000 8.819 0.181 18053 9579 1 15 . 1 1 54 54 LYS N N 484 124.737 124.737 127.782 -3.045 18053 9580 1 15 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.780 0.683 18053 9581 1 15 . 1 1 54 54 LYS C C 484 175.575 175.575 176.280 -0.705 18053 9582 1 15 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.480 -1.867 18053 9583 1 15 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.884 1.157 18053 9584 1 15 . 1 1 54 54 LYS H H 484 9.678 9.678 8.592 1.086 18053 9585 1 15 . 1 1 55 55 ARG N N 485 124.090 124.090 122.184 1.906 18053 9586 1 15 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.980 0.545 18053 9587 1 15 . 1 1 55 55 ARG C C 485 174.155 174.155 174.516 -0.361 18053 9588 1 15 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.971 -2.068 18053 9589 1 15 . 1 1 55 55 ARG H H 485 9.314 9.314 8.729 0.585 18053 9590 1 15 . 1 1 56 56 GLN N N 486 126.576 126.576 127.541 -0.965 18053 9591 1 15 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.555 0.287 18053 9592 1 15 . 1 1 56 56 GLN C C 486 174.991 174.991 174.984 0.007 18053 9593 1 15 . 1 1 56 56 GLN CA C 486 54.831 54.831 55.455 -0.624 18053 9594 1 15 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.271 2.194 18053 9595 1 15 . 1 1 56 56 GLN H H 486 8.831 8.831 8.729 0.102 18053 9596 1 15 . 1 1 57 57 VAL N N 487 126.712 126.712 125.013 1.699 18053 9597 1 15 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.264 0.002 18053 9598 1 15 . 1 1 57 57 VAL C C 487 175.916 175.916 177.029 -1.113 18053 9599 1 15 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.567 0.253 18053 9600 1 15 . 1 1 57 57 VAL CB C 487 32.803 32.803 31.651 1.152 18053 9601 1 15 . 1 1 57 57 VAL H H 487 8.786 8.786 8.461 0.325 18053 9602 1 15 . 1 1 58 58 LEU N N 488 127.274 127.274 125.889 1.385 18053 9603 1 15 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.210 -0.125 18053 9604 1 15 . 1 1 58 58 LEU C C 488 177.158 177.158 177.729 -0.571 18053 9605 1 15 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.427 -0.521 18053 9606 1 15 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.518 -0.144 18053 9607 1 15 . 1 1 58 58 LEU H H 488 8.316 8.316 8.761 -0.445 18053 9608 1 15 . 1 1 59 59 GLU N N 489 119.647 119.647 118.579 1.068 18053 9609 1 15 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.275 -0.163 18053 9610 1 15 . 1 1 59 59 GLU C C 489 176.230 176.230 177.219 -0.989 18053 9611 1 15 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.589 0.426 18053 9612 1 15 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.554 -1.405 18053 9613 1 15 . 1 1 59 59 GLU H H 489 8.636 8.636 8.259 0.377 18053 9614 1 15 . 1 1 60 60 GLY N N 490 108.819 108.819 107.764 1.055 18053 9615 1 15 . 1 1 60 60 GLY C C 490 173.568 173.568 173.931 -0.363 18053 9616 1 15 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.650 0.123 18053 9617 1 15 . 1 1 60 60 GLY H H 490 8.160 8.160 7.861 0.299 18053 9618 1 15 . 1 1 61 61 GLU N N 491 121.009 121.009 121.076 -0.067 18053 9619 1 15 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.606 -0.283 18053 9620 1 15 . 1 1 61 61 GLU C C 491 175.725 175.725 174.920 0.805 18053 9621 1 15 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.333 0.863 18053 9622 1 15 . 1 1 61 61 GLU CB C 491 30.865 30.865 31.233 -0.368 18053 9623 1 15 . 1 1 61 61 GLU H H 491 8.320 8.320 7.914 0.406 18053 9624 1 15 . 1 1 62 62 GLU N N 492 123.426 123.426 124.674 -1.248 18053 9625 1 15 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.277 -0.223 18053 9626 1 15 . 1 1 62 62 GLU C C 492 175.930 175.930 175.936 -0.006 18053 9627 1 15 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.195 0.455 18053 9628 1 15 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.760 1.552 18053 9629 1 15 . 1 1 62 62 GLU H H 492 8.594 8.594 8.663 -0.069 18053 9630 1 15 . 1 1 63 63 ILE N N 493 119.732 119.732 118.733 0.999 18053 9631 1 15 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.816 -0.028 18053 9632 1 15 . 1 1 63 63 ILE C C 493 174.647 174.647 174.221 0.426 18053 9633 1 15 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.243 0.938 18053 9634 1 15 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.501 -0.318 18053 9635 1 15 . 1 1 63 63 ILE H H 493 8.523 8.523 8.475 0.048 18053 9636 1 15 . 1 1 64 64 ALA N N 494 122.166 122.166 121.820 0.346 18053 9637 1 15 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.843 0.678 18053 9638 1 15 . 1 1 64 64 ALA C C 494 174.606 174.606 175.614 -1.008 18053 9639 1 15 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.905 -0.377 18053 9640 1 15 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.049 1.190 18053 9641 1 15 . 1 1 64 64 ALA H H 494 8.741 8.741 8.293 0.448 18053 9642 1 15 . 1 1 65 65 TYR N N 495 126.729 126.729 126.021 0.708 18053 9643 1 15 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.556 -0.462 18053 9644 1 15 . 1 1 65 65 TYR C C 495 173.036 173.036 173.973 -0.937 18053 9645 1 15 . 1 1 65 65 TYR CA C 495 56.905 56.905 57.093 -0.188 18053 9646 1 15 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.668 1.601 18053 9647 1 15 . 1 1 65 65 TYR H H 495 8.462 8.462 8.439 0.023 18053 9648 1 15 . 1 1 66 66 LYS N N 496 128.108 128.108 127.411 0.697 18053 9649 1 15 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.060 0.762 18053 9650 1 15 . 1 1 66 66 LYS C C 496 174.906 174.906 174.596 0.310 18053 9651 1 15 . 1 1 66 66 LYS CA C 496 53.739 53.739 55.237 -1.498 18053 9652 1 15 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.204 1.578 18053 9653 1 15 . 1 1 66 66 LYS H H 496 7.010 7.010 7.517 -0.507 18053 9654 1 15 . 1 1 67 67 PHE N N 497 125.299 125.299 122.137 3.162 18053 9655 1 15 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.221 -0.289 18053 9656 1 15 . 1 1 67 67 PHE C C 497 177.990 177.990 176.000 1.990 18053 9657 1 15 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.637 1.370 18053 9658 1 15 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.534 0.447 18053 9659 1 15 . 1 1 67 67 PHE H H 497 8.509 8.509 7.829 0.680 18053 9660 1 15 . 1 1 68 68 THR N N 498 116.191 116.191 112.104 4.087 18053 9661 1 15 . 1 1 68 68 THR HA H 498 4.417 4.417 4.736 -0.319 18053 9662 1 15 . 1 1 68 68 THR CA C 498 60.855 60.855 59.246 1.609 18053 9663 1 15 . 1 1 68 68 THR CB C 498 68.019 68.019 69.507 -1.488 18053 9664 1 15 . 1 1 68 68 THR H H 498 8.688 8.688 8.406 0.282 18053 9665 1 15 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.551 -0.603 18053 9666 1 15 . 1 1 69 69 PRO C C 499 177.444 177.444 177.049 0.395 18053 9667 1 15 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.663 1.414 18053 9668 1 15 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.943 0.833 18053 9669 1 15 . 1 1 70 70 LYS N N 500 113.552 113.552 115.186 -1.634 18053 9670 1 15 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.166 0.219 18053 9671 1 15 . 1 1 70 70 LYS C C 500 176.325 176.325 176.569 -0.244 18053 9672 1 15 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.842 -1.847 18053 9673 1 15 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.762 0.031 18053 9674 1 15 . 1 1 70 70 LYS H H 500 8.016 8.016 8.025 -0.009 18053 9675 1 15 . 1 1 71 71 TYR N N 501 121.860 121.860 121.811 0.049 18053 9676 1 15 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.436 -0.706 18053 9677 1 15 . 1 1 71 71 TYR C C 501 174.838 174.838 173.698 1.140 18053 9678 1 15 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.711 3.599 18053 9679 1 15 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.117 -0.336 18053 9680 1 15 . 1 1 71 71 TYR H H 501 7.460 7.460 7.727 -0.267 18053 9681 1 15 . 1 1 72 72 ILE N N 502 129.487 129.487 127.035 2.452 18053 9682 1 15 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.274 -0.346 18053 9683 1 15 . 1 1 72 72 ILE C C 502 172.968 172.968 174.081 -1.113 18053 9684 1 15 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.499 -0.191 18053 9685 1 15 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.362 0.548 18053 9686 1 15 . 1 1 72 72 ILE H H 502 7.168 7.168 8.042 -0.874 18053 9687 1 15 . 1 1 73 73 LEU N N 503 128.278 128.278 127.544 0.734 18053 9688 1 15 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.420 0.073 18053 9689 1 15 . 1 1 73 73 LEU C C 503 175.834 175.834 175.561 0.273 18053 9690 1 15 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.989 -1.024 18053 9691 1 15 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.586 -2.038 18053 9692 1 15 . 1 1 73 73 LEU H H 503 8.483 8.483 8.459 0.024 18053 9693 1 15 . 1 1 74 74 ARG N N 504 129.589 129.589 123.415 6.174 18053 9694 1 15 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.423 -0.680 18053 9695 1 15 . 1 1 74 74 ARG C C 504 175.233 175.233 176.249 -1.016 18053 9696 1 15 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.454 1.397 18053 9697 1 15 . 1 1 74 74 ARG CB C 504 30.292 30.292 31.009 -0.717 18053 9698 1 15 . 1 1 74 74 ARG H H 504 8.673 8.673 8.477 0.196 18053 9699 1 15 . 1 1 75 75 ALA N N 505 123.205 123.205 124.643 -1.438 18053 9700 1 15 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.157 -0.635 18053 9701 1 15 . 1 1 75 75 ALA C C 505 178.441 178.441 178.161 0.280 18053 9702 1 15 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.128 0.666 18053 9703 1 15 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.371 0.539 18053 9704 1 15 . 1 1 75 75 ALA H H 505 8.564 8.564 8.141 0.423 18053 9705 1 15 . 1 1 76 76 GLY N N 506 112.241 112.241 112.699 -0.458 18053 9706 1 15 . 1 1 76 76 GLY C C 506 174.278 174.278 174.037 0.241 18053 9707 1 15 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.341 1.384 18053 9708 1 15 . 1 1 76 76 GLY H H 506 7.381 7.381 8.563 -1.182 18053 9709 1 15 . 1 1 77 77 GLN N N 507 117.382 117.382 118.612 -1.230 18053 9710 1 15 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.592 -0.228 18053 9711 1 15 . 1 1 77 77 GLN C C 507 173.937 173.937 174.996 -1.059 18053 9712 1 15 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.163 0.395 18053 9713 1 15 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.475 -0.402 18053 9714 1 15 . 1 1 77 77 GLN H H 507 7.996 7.996 7.645 0.351 18053 9715 1 15 . 1 1 78 78 MET N N 508 116.957 116.957 115.158 1.799 18053 9716 1 15 . 1 1 78 78 MET HA H 508 5.388 5.388 4.808 0.580 18053 9717 1 15 . 1 1 78 78 MET C C 508 175.807 175.807 173.669 2.138 18053 9718 1 15 . 1 1 78 78 MET CA C 508 54.067 54.067 54.746 -0.679 18053 9719 1 15 . 1 1 78 78 MET CB C 508 37.198 37.198 36.539 0.659 18053 9720 1 15 . 1 1 78 78 MET H H 508 8.092 8.092 8.189 -0.097 18053 9721 1 15 . 1 1 79 79 VAL N N 509 119.340 119.340 119.819 -0.479 18053 9722 1 15 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.829 0.127 18053 9723 1 15 . 1 1 79 79 VAL C C 509 172.217 172.217 174.036 -1.819 18053 9724 1 15 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.549 -1.078 18053 9725 1 15 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.091 -1.415 18053 9726 1 15 . 1 1 79 79 VAL H H 509 8.534 8.534 8.682 -0.148 18053 9727 1 15 . 1 1 80 80 THR N N 510 124.533 124.533 125.244 -0.711 18053 9728 1 15 . 1 1 80 80 THR HA H 510 4.586 4.586 5.194 -0.608 18053 9729 1 15 . 1 1 80 80 THR C C 510 172.215 172.215 173.843 -1.628 18053 9730 1 15 . 1 1 80 80 THR CA C 510 62.119 62.119 61.206 0.913 18053 9731 1 15 . 1 1 80 80 THR CB C 510 69.407 69.407 69.617 -0.210 18053 9732 1 15 . 1 1 80 80 THR H H 510 8.301 8.301 9.031 -0.730 18053 9733 1 15 . 1 1 81 81 VAL N N 511 127.002 127.002 127.342 -0.340 18053 9734 1 15 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.541 0.055 18053 9735 1 15 . 1 1 81 81 VAL C C 511 176.667 176.667 175.752 0.915 18053 9736 1 15 . 1 1 81 81 VAL CA C 511 61.382 61.382 61.097 0.285 18053 9737 1 15 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.511 0.434 18053 9738 1 15 . 1 1 81 81 VAL H H 511 8.796 8.796 8.737 0.059 18053 9739 1 15 . 1 1 82 82 TRP N N 512 131.479 131.479 129.391 2.088 18053 9740 1 15 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.181 0.157 18053 9741 1 15 . 1 1 82 82 TRP C C 512 176.885 176.885 175.545 1.340 18053 9742 1 15 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.998 -0.556 18053 9743 1 15 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.075 -0.374 18053 9744 1 15 . 1 1 82 82 TRP H H 512 9.924 9.924 9.420 0.504 18053 9745 1 15 . 1 1 83 83 ALA N N 513 123.954 123.954 120.794 3.160 18053 9746 1 15 . 1 1 83 83 ALA HA H 513 4.308 4.308 5.145 -0.837 18053 9747 1 15 . 1 1 83 83 ALA C C 513 178.140 178.140 178.274 -0.134 18053 9748 1 15 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.627 1.584 18053 9749 1 15 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.702 -1.957 18053 9750 1 15 . 1 1 83 83 ALA H H 513 9.048 9.048 8.631 0.417 18053 9751 1 15 . 1 1 84 84 ALA N N 514 125.146 125.146 123.788 1.358 18053 9752 1 15 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.243 -0.292 18053 9753 1 15 . 1 1 84 84 ALA C C 514 179.519 179.519 178.112 1.407 18053 9754 1 15 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.573 0.231 18053 9755 1 15 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.160 -0.577 18053 9756 1 15 . 1 1 84 84 ALA H H 514 8.341 8.341 8.194 0.147 18053 9757 1 15 . 1 1 85 85 GLY N N 515 103.388 103.388 103.489 -0.101 18053 9758 1 15 . 1 1 85 85 GLY C C 515 174.674 174.674 174.934 -0.260 18053 9759 1 15 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.086 1.792 18053 9760 1 15 . 1 1 85 85 GLY H H 515 7.996 7.996 7.766 0.230 18053 9761 1 15 . 1 1 86 86 ALA N N 516 120.140 120.140 123.957 -3.817 18053 9762 1 15 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.493 -0.149 18053 9763 1 15 . 1 1 86 86 ALA C C 516 177.690 177.690 177.779 -0.089 18053 9764 1 15 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.421 0.718 18053 9765 1 15 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.596 0.951 18053 9766 1 15 . 1 1 86 86 ALA H H 516 7.474 7.474 7.322 0.152 18053 9767 1 15 . 1 1 87 87 GLY N N 517 105.720 105.720 107.048 -1.328 18053 9768 1 15 . 1 1 87 87 GLY C C 517 173.650 173.650 174.112 -0.462 18053 9769 1 15 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.208 0.806 18053 9770 1 15 . 1 1 87 87 GLY H H 517 7.779 7.779 8.407 -0.628 18053 9771 1 15 . 1 1 88 88 VAL N N 518 121.537 121.537 118.748 2.789 18053 9772 1 15 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.235 -0.650 18053 9773 1 15 . 1 1 88 88 VAL C C 518 174.851 174.851 174.185 0.666 18053 9774 1 15 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.918 0.356 18053 9775 1 15 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.840 -0.464 18053 9776 1 15 . 1 1 88 88 VAL H H 518 7.499 7.499 7.675 -0.176 18053 9777 1 15 . 1 1 89 89 ALA N N 519 128.295 128.295 129.063 -0.768 18053 9778 1 15 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.546 -0.354 18053 9779 1 15 . 1 1 89 89 ALA C C 519 176.680 176.680 176.251 0.429 18053 9780 1 15 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.327 -0.044 18053 9781 1 15 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.959 -0.667 18053 9782 1 15 . 1 1 89 89 ALA H H 519 7.960 7.960 7.996 -0.036 18053 9783 1 15 . 1 1 90 90 HIS N N 520 122.643 122.643 120.086 2.557 18053 9784 1 15 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.444 -0.411 18053 9785 1 15 . 1 1 90 90 HIS C C 520 175.793 175.793 174.435 1.358 18053 9786 1 15 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.223 2.430 18053 9787 1 15 . 1 1 90 90 HIS CB C 520 32.285 32.285 30.172 2.114 18053 9788 1 15 . 1 1 90 90 HIS H H 520 8.394 8.394 8.511 -0.117 18053 9789 1 15 . 1 1 91 91 SER N N 521 121.247 121.247 123.199 -1.952 18053 9790 1 15 . 1 1 91 91 SER HA H 521 4.629 4.629 4.730 -0.101 18053 9791 1 15 . 1 1 91 91 SER CA C 521 55.843 55.843 55.929 -0.086 18053 9792 1 15 . 1 1 91 91 SER CB C 521 62.367 62.367 63.356 -0.989 18053 9793 1 15 . 1 1 91 91 SER H H 521 8.569 8.569 8.555 0.014 18053 9794 1 15 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.792 -0.790 18053 9795 1 15 . 1 1 92 92 PRO CA C 522 62.244 62.244 61.894 0.350 18053 9796 1 15 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.738 -0.807 18053 9797 1 15 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.743 -0.071 18053 9798 1 15 . 1 1 93 93 PRO C C 523 177.786 177.786 178.472 -0.686 18053 9799 1 15 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.106 -0.103 18053 9800 1 15 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.492 2.413 18053 9801 1 15 . 1 1 94 94 SER N N 524 117.212 117.212 117.517 -0.305 18053 9802 1 15 . 1 1 94 94 SER HA H 524 4.678 4.678 4.371 0.307 18053 9803 1 15 . 1 1 94 94 SER C C 524 174.851 174.851 174.806 0.045 18053 9804 1 15 . 1 1 94 94 SER CA C 524 61.874 61.874 61.666 0.208 18053 9805 1 15 . 1 1 94 94 SER CB C 524 64.057 64.057 63.397 0.660 18053 9806 1 15 . 1 1 94 94 SER H H 524 8.463 8.463 8.301 0.162 18053 9807 1 15 . 1 1 95 95 THR N N 525 121.588 121.588 119.426 2.162 18053 9808 1 15 . 1 1 95 95 THR HA H 525 4.859 4.859 5.061 -0.202 18053 9809 1 15 . 1 1 95 95 THR C C 525 172.094 172.094 173.638 -1.544 18053 9810 1 15 . 1 1 95 95 THR CA C 525 62.309 62.309 62.416 -0.107 18053 9811 1 15 . 1 1 95 95 THR CB C 525 70.281 70.281 68.435 1.846 18053 9812 1 15 . 1 1 95 95 THR H H 525 7.631 7.631 7.934 -0.303 18053 9813 1 15 . 1 1 96 96 LEU N N 526 127.274 127.274 128.338 -1.064 18053 9814 1 15 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.901 0.230 18053 9815 1 15 . 1 1 96 96 LEU C C 526 175.916 175.916 175.804 0.112 18053 9816 1 15 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.605 -2.530 18053 9817 1 15 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.484 0.306 18053 9818 1 15 . 1 1 96 96 LEU H H 526 8.977 8.977 8.150 0.827 18053 9819 1 15 . 1 1 97 97 VAL N N 527 124.056 124.056 119.536 4.520 18053 9820 1 15 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.673 0.196 18053 9821 1 15 . 1 1 97 97 VAL C C 527 176.230 176.230 175.545 0.685 18053 9822 1 15 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.486 0.033 18053 9823 1 15 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.519 -0.815 18053 9824 1 15 . 1 1 97 97 VAL H H 527 10.724 10.724 8.242 2.482 18053 9825 1 15 . 1 1 98 98 TRP N N 528 132.586 132.586 130.650 1.936 18053 9826 1 15 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.542 0.423 18053 9827 1 15 . 1 1 98 98 TRP C C 528 173.391 173.391 174.924 -1.533 18053 9828 1 15 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.635 -2.332 18053 9829 1 15 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.453 -0.208 18053 9830 1 15 . 1 1 98 98 TRP H H 528 9.400 9.400 9.151 0.249 18053 9831 1 15 . 1 1 99 99 LYS N N 529 126.644 126.644 127.226 -0.582 18053 9832 1 15 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.194 -0.355 18053 9833 1 15 . 1 1 99 99 LYS C C 529 177.581 177.581 177.236 0.345 18053 9834 1 15 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.337 1.206 18053 9835 1 15 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.748 -0.572 18053 9836 1 15 . 1 1 99 99 LYS H H 529 8.153 8.153 8.030 0.123 18053 9837 1 15 . 1 1 100 100 GLY N N 530 110.385 110.385 113.697 -3.312 18053 9838 1 15 . 1 1 100 100 GLY C C 530 172.367 172.367 173.765 -1.398 18053 9839 1 15 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.815 0.464 18053 9840 1 15 . 1 1 100 100 GLY H H 530 8.363 8.363 8.657 -0.294 18053 9841 1 15 . 1 1 101 101 GLN N N 531 121.162 121.162 122.534 -1.372 18053 9842 1 15 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.409 -0.437 18053 9843 1 15 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.051 -1.431 18053 9844 1 15 . 1 1 101 101 GLN CB C 531 27.595 27.595 29.241 -1.646 18053 9845 1 15 . 1 1 101 101 GLN H H 531 6.815 6.815 7.412 -0.597 18053 9846 1 15 . 1 1 102 102 SER N N 532 122.728 122.728 120.898 1.830 18053 9847 1 15 . 1 1 102 102 SER HA H 532 3.866 3.866 4.499 -0.633 18053 9848 1 15 . 1 1 102 102 SER C C 532 174.537 174.537 175.630 -1.093 18053 9849 1 15 . 1 1 102 102 SER CA C 532 61.983 61.983 60.399 1.584 18053 9850 1 15 . 1 1 102 102 SER CB C 532 62.802 62.802 63.124 -0.322 18053 9851 1 15 . 1 1 102 102 SER H H 532 8.662 8.662 8.894 -0.232 18053 9852 1 15 . 1 1 103 103 SER N N 533 110.811 110.811 115.800 -4.989 18053 9853 1 15 . 1 1 103 103 SER HA H 533 4.240 4.240 4.434 -0.194 18053 9854 1 15 . 1 1 103 103 SER C C 533 174.087 174.087 174.298 -0.211 18053 9855 1 15 . 1 1 103 103 SER CA C 533 56.633 56.633 59.295 -2.662 18053 9856 1 15 . 1 1 103 103 SER CB C 533 64.658 64.658 63.202 1.456 18053 9857 1 15 . 1 1 103 103 SER H H 533 7.134 7.134 7.618 -0.484 18053 9858 1 15 . 1 1 104 104 TRP N N 534 126.133 126.133 118.633 7.500 18053 9859 1 15 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.233 -0.135 18053 9860 1 15 . 1 1 104 104 TRP C C 534 176.066 176.066 175.741 0.325 18053 9861 1 15 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.650 2.477 18053 9862 1 15 . 1 1 104 104 TRP CB C 534 28.764 28.764 29.181 -0.417 18053 9863 1 15 . 1 1 104 104 TRP H H 534 9.764 9.764 7.991 1.773 18053 9864 1 15 . 1 1 105 105 GLY N N 535 105.907 105.907 104.532 1.375 18053 9865 1 15 . 1 1 105 105 GLY C C 535 172.217 172.217 175.071 -2.854 18053 9866 1 15 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.932 -0.692 18053 9867 1 15 . 1 1 105 105 GLY H H 535 8.095 8.095 7.939 0.156 18053 9868 1 15 . 1 1 106 106 THR N N 536 111.253 111.253 116.730 -5.477 18053 9869 1 15 . 1 1 106 106 THR HA H 536 3.859 3.859 4.252 -0.393 18053 9870 1 15 . 1 1 106 106 THR C C 536 172.872 172.872 174.483 -1.611 18053 9871 1 15 . 1 1 106 106 THR CA C 536 59.635 59.635 63.795 -4.160 18053 9872 1 15 . 1 1 106 106 THR CB C 536 70.526 70.526 69.891 0.634 18053 9873 1 15 . 1 1 106 106 THR H H 536 7.913 7.913 7.880 0.033 18053 9874 1 15 . 1 1 107 107 GLY N N 537 107.712 107.712 113.687 -5.975 18053 9875 1 15 . 1 1 107 107 GLY C C 537 172.709 172.709 173.070 -0.361 18053 9876 1 15 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.427 -0.261 18053 9877 1 15 . 1 1 107 107 GLY H H 537 7.533 7.533 8.243 -0.710 18053 9878 1 15 . 1 1 108 108 GLU N N 538 118.864 118.864 119.787 -0.923 18053 9879 1 15 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.301 -0.165 18053 9880 1 15 . 1 1 108 108 GLU C C 538 176.353 176.353 175.968 0.385 18053 9881 1 15 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.840 0.513 18053 9882 1 15 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.801 -0.645 18053 9883 1 15 . 1 1 108 108 GLU H H 538 8.558 8.558 8.777 -0.219 18053 9884 1 15 . 1 1 109 109 SER N N 539 110.419 110.419 111.691 -1.272 18053 9885 1 15 . 1 1 109 109 SER HA H 539 4.963 4.963 5.066 -0.103 18053 9886 1 15 . 1 1 109 109 SER C C 539 173.787 173.787 173.169 0.618 18053 9887 1 15 . 1 1 109 109 SER CA C 539 57.125 57.125 57.667 -0.542 18053 9888 1 15 . 1 1 109 109 SER CB C 539 64.439 64.439 65.839 -1.400 18053 9889 1 15 . 1 1 109 109 SER H H 539 7.620 7.620 7.574 0.046 18053 9890 1 15 . 1 1 110 110 PHE N N 540 118.778 118.778 117.582 1.196 18053 9891 1 15 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.033 0.048 18053 9892 1 15 . 1 1 110 110 PHE C C 540 176.052 176.052 172.824 3.228 18053 9893 1 15 . 1 1 110 110 PHE CA C 540 56.789 56.789 57.121 -0.332 18053 9894 1 15 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.606 -0.846 18053 9895 1 15 . 1 1 110 110 PHE H H 540 8.318 8.318 8.839 -0.521 18053 9896 1 15 . 1 1 112 112 THR HA H 542 5.468 5.468 4.925 0.543 18053 9897 1 15 . 1 1 112 112 THR C C 542 172.381 172.381 173.949 -1.568 18053 9898 1 15 . 1 1 112 112 THR CA C 542 61.818 61.818 62.454 -0.636 18053 9899 1 15 . 1 1 112 112 THR CB C 542 70.990 70.990 69.595 1.395 18053 9900 1 15 . 1 1 113 113 VAL N N 543 124.771 124.771 127.428 -2.657 18053 9901 1 15 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.396 0.468 18053 9902 1 15 . 1 1 113 113 VAL C C 543 173.132 173.132 174.161 -1.029 18053 9903 1 15 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.105 -1.006 18053 9904 1 15 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.151 2.282 18053 9905 1 15 . 1 1 113 113 VAL H H 543 9.380 9.380 8.496 0.884 18053 9906 1 15 . 1 1 114 114 LEU N N 544 128.789 128.789 126.772 2.017 18053 9907 1 15 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.976 0.344 18053 9908 1 15 . 1 1 114 114 LEU C C 544 174.237 174.237 175.011 -0.774 18053 9909 1 15 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.631 -0.438 18053 9910 1 15 . 1 1 114 114 LEU CB C 544 45.879 45.879 45.114 0.765 18053 9911 1 15 . 1 1 114 114 LEU H H 544 8.948 8.948 8.405 0.543 18053 9912 1 15 . 1 1 115 115 VAL N N 545 127.002 127.002 124.579 2.423 18053 9913 1 15 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.887 -0.033 18053 9914 1 15 . 1 1 115 115 VAL C C 545 175.206 175.206 174.370 0.836 18053 9915 1 15 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.196 -0.862 18053 9916 1 15 . 1 1 115 115 VAL CB C 545 34.495 34.495 35.602 -1.107 18053 9917 1 15 . 1 1 115 115 VAL H H 545 9.564 9.564 9.049 0.515 18053 9918 1 15 . 1 1 116 116 ASN N N 546 121.179 121.179 121.672 -0.493 18053 9919 1 15 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.806 -0.909 18053 9920 1 15 . 1 1 116 116 ASN C C 546 176.885 176.885 175.342 1.543 18053 9921 1 15 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.150 -0.741 18053 9922 1 15 . 1 1 116 116 ASN CB C 546 36.639 36.639 38.906 -2.267 18053 9923 1 15 . 1 1 116 116 ASN H H 546 8.016 8.016 7.893 0.123 18053 9924 1 15 . 1 1 117 117 ALA N N 547 119.834 119.834 121.704 -1.870 18053 9925 1 15 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.114 -0.248 18053 9926 1 15 . 1 1 117 117 ALA C C 547 177.772 177.772 178.087 -0.315 18053 9927 1 15 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.155 0.349 18053 9928 1 15 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.339 -0.139 18053 9929 1 15 . 1 1 117 117 ALA H H 547 6.444 6.444 8.083 -1.639 18053 9930 1 15 . 1 1 118 118 ASP N N 548 115.646 115.646 117.882 -2.236 18053 9931 1 15 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.401 0.243 18053 9932 1 15 . 1 1 118 118 ASP C C 548 176.052 176.052 177.569 -1.517 18053 9933 1 15 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.543 -1.476 18053 9934 1 15 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.404 0.270 18053 9935 1 15 . 1 1 118 118 ASP H H 548 7.181 7.181 7.691 -0.510 18053 9936 1 15 . 1 1 119 119 GLY N N 549 107.167 107.167 106.873 0.294 18053 9937 1 15 . 1 1 119 119 GLY C C 549 173.841 173.841 173.475 0.366 18053 9938 1 15 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.603 0.852 18053 9939 1 15 . 1 1 119 119 GLY H H 549 7.738 7.738 7.697 0.041 18053 9940 1 15 . 1 1 120 120 GLU N N 550 121.196 121.196 119.781 1.415 18053 9941 1 15 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.353 -0.241 18053 9942 1 15 . 1 1 120 120 GLU C C 550 175.588 175.588 175.461 0.127 18053 9943 1 15 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.233 -0.402 18053 9944 1 15 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.613 -0.676 18053 9945 1 15 . 1 1 120 120 GLU H H 550 7.587 7.587 7.695 -0.108 18053 9946 1 15 . 1 1 121 121 GLU N N 551 123.886 123.886 123.213 0.673 18053 9947 1 15 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.384 -0.108 18053 9948 1 15 . 1 1 121 121 GLU C C 551 176.817 176.817 175.940 0.877 18053 9949 1 15 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.161 0.635 18053 9950 1 15 . 1 1 121 121 GLU CB C 551 28.955 28.955 28.648 0.307 18053 9951 1 15 . 1 1 121 121 GLU H H 551 8.697 8.697 8.723 -0.026 18053 9952 1 15 . 1 1 122 122 VAL N N 552 120.055 120.055 123.687 -3.632 18053 9953 1 15 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.019 0.345 18053 9954 1 15 . 1 1 122 122 VAL C C 552 175.998 175.998 175.296 0.702 18053 9955 1 15 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.461 -0.806 18053 9956 1 15 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.328 0.721 18053 9957 1 15 . 1 1 122 122 VAL H H 552 8.845 8.845 8.529 0.316 18053 9958 1 15 . 1 1 123 123 ALA N N 553 122.098 122.098 119.545 2.553 18053 9959 1 15 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.675 0.215 18053 9960 1 15 . 1 1 123 123 ALA C C 553 175.261 175.261 175.308 -0.047 18053 9961 1 15 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.691 1.066 18053 9962 1 15 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.521 0.746 18053 9963 1 15 . 1 1 123 123 ALA H H 553 7.788 7.788 7.596 0.192 18053 9964 1 15 . 1 1 124 124 MET N N 554 118.217 118.217 119.608 -1.391 18053 9965 1 15 . 1 1 124 124 MET HA H 554 5.286 5.286 5.096 0.190 18053 9966 1 15 . 1 1 124 124 MET C C 554 174.428 174.428 174.293 0.135 18053 9967 1 15 . 1 1 124 124 MET CA C 554 55.104 55.104 55.719 -0.615 18053 9968 1 15 . 1 1 124 124 MET CB C 554 35.342 35.342 37.006 -1.664 18053 9969 1 15 . 1 1 124 124 MET H H 554 8.693 8.693 8.475 0.218 18053 9970 1 15 . 1 1 125 125 ARG N N 555 122.132 122.132 125.303 -3.171 18053 9971 1 15 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.763 0.137 18053 9972 1 15 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.253 1.135 18053 9973 1 15 . 1 1 125 125 ARG CB C 555 34.378 34.378 32.519 1.859 18053 9974 1 15 . 1 1 125 125 ARG H H 555 8.919 8.919 8.942 -0.023 18053 9975 1 15 . 1 1 126 126 THR HA H 556 4.685 4.685 4.439 0.246 18053 9976 1 15 . 1 1 126 126 THR C C 556 172.436 172.436 173.817 -1.381 18053 9977 1 15 . 1 1 126 126 THR CA C 556 61.382 61.382 63.109 -1.727 18053 9978 1 15 . 1 1 126 126 THR CB C 556 70.444 70.444 68.902 1.542 18053 9979 1 15 . 1 1 127 127 VAL N N 557 124.976 124.976 127.861 -2.885 18053 9980 1 15 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.094 0.052 18053 9981 1 15 . 1 1 127 127 VAL C C 557 173.937 173.937 173.939 -0.002 18053 9982 1 15 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.942 0.167 18053 9983 1 15 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.127 0.632 18053 9984 1 15 . 1 1 127 127 VAL H H 557 8.127 8.127 8.437 -0.309 18053 9985 1 15 . 1 1 128 128 LYS N N 558 125.384 125.384 125.892 -0.508 18053 9986 1 15 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.604 0.102 18053 9987 1 15 . 1 1 128 128 LYS C C 558 175.534 175.534 175.370 0.164 18053 9988 1 15 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.304 1.582 18053 9989 1 15 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.245 1.428 18053 9990 1 15 . 1 1 128 128 LYS H H 558 8.289 8.289 8.284 0.005 18053 9991 1 15 . 1 1 129 129 LYS N N 559 124.005 124.005 127.923 -3.918 18053 9992 1 15 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.130 0.180 18053 9993 1 15 . 1 1 129 129 LYS C C 559 176.571 176.571 175.436 1.135 18053 9994 1 15 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.167 -0.425 18053 9995 1 15 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.663 1.699 18053 9996 1 15 . 1 1 129 129 LYS H H 559 8.461 8.461 8.522 -0.061 18053 9997 1 15 . 1 1 130 130 SER N N 560 117.195 117.195 120.156 -2.961 18053 9998 1 15 . 1 1 130 130 SER HA H 560 4.384 4.384 4.560 -0.176 18053 9999 1 15 . 1 1 130 130 SER C C 560 174.565 174.565 174.342 0.223 18053 10000 1 15 . 1 1 130 130 SER CA C 560 58.434 58.434 58.030 0.404 18053 10001 1 15 . 1 1 130 130 SER CB C 560 63.812 63.812 64.328 -0.516 18053 10002 1 15 . 1 1 130 130 SER H H 560 8.465 8.465 8.189 0.276 18053 10003 1 15 . 1 1 131 131 SER N N 561 118.149 118.149 116.766 1.383 18053 10004 1 15 . 1 1 131 131 SER HA H 561 4.412 4.412 4.302 0.110 18053 10005 1 15 . 1 1 131 131 SER C C 561 174.456 174.456 174.492 -0.036 18053 10006 1 15 . 1 1 131 131 SER CA C 561 58.489 58.489 58.575 -0.086 18053 10007 1 15 . 1 1 131 131 SER CB C 561 63.811 63.811 63.881 -0.070 18053 10008 1 15 . 1 1 131 131 SER H H 561 8.336 8.336 8.355 -0.019 18053 10009 1 15 . 1 1 132 132 VAL N N 562 121.332 121.332 122.745 -1.413 18053 10010 1 15 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.025 0.010 18053 10011 1 15 . 1 1 132 132 VAL C C 562 176.066 176.066 176.075 -0.009 18053 10012 1 15 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.559 -1.113 18053 10013 1 15 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.111 0.283 18053 10014 1 15 . 1 1 132 132 VAL H H 562 7.982 7.982 8.170 -0.188 18053 10015 1 15 . 1 1 133 133 MET N N 563 124.022 124.022 119.394 4.628 18053 10016 1 15 . 1 1 133 133 MET HA H 563 4.385 4.385 4.426 -0.041 18053 10017 1 15 . 1 1 133 133 MET C C 563 176.039 176.039 176.329 -0.290 18053 10018 1 15 . 1 1 133 133 MET CA C 563 55.350 55.350 55.761 -0.411 18053 10019 1 15 . 1 1 133 133 MET CB C 563 32.503 32.503 32.658 -0.155 18053 10020 1 15 . 1 1 133 133 MET H H 563 8.295 8.295 7.579 0.716 18053 10021 1 15 . 1 1 134 134 ARG N N 564 122.677 122.677 124.097 -1.420 18053 10022 1 15 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.545 -0.283 18053 10023 1 15 . 1 1 134 134 ARG C C 564 176.298 176.298 175.991 0.307 18053 10024 1 15 . 1 1 134 134 ARG CA C 564 56.087 56.087 54.800 1.287 18053 10025 1 15 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.514 -0.812 18053 10026 1 15 . 1 1 134 134 ARG H H 564 8.295 8.295 8.570 -0.275 18053 10027 1 15 . 1 1 135 135 GLU N N 565 121.945 121.945 122.399 -0.454 18053 10028 1 15 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.260 -0.100 18053 10029 1 15 . 1 1 135 135 GLU C C 565 176.080 176.080 175.906 0.174 18053 10030 1 15 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.981 -0.075 18053 10031 1 15 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.018 0.756 18053 10032 1 15 . 1 1 135 135 GLU H H 565 8.470 8.470 8.561 -0.091 18053 10033 1 15 . 1 1 136 136 ASN N N 566 118.761 118.761 123.379 -4.618 18053 10034 1 15 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.712 -0.095 18053 10035 1 15 . 1 1 136 136 ASN C C 566 175.315 175.315 175.623 -0.308 18053 10036 1 15 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.149 0.044 18053 10037 1 15 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.803 0.033 18053 10038 1 15 . 1 1 136 136 ASN H H 566 8.341 8.341 8.659 -0.318 18053 10039 1 15 . 1 1 137 137 GLU N N 567 121.349 121.349 121.888 -0.539 18053 10040 1 15 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.323 -0.171 18053 10041 1 15 . 1 1 137 137 GLU C C 567 176.243 176.243 176.241 0.002 18053 10042 1 15 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.519 -0.613 18053 10043 1 15 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.576 0.416 18053 10044 1 15 . 1 1 137 137 GLU H H 567 8.349 8.349 8.413 -0.064 18053 10045 1 15 . 1 1 138 138 ASN N N 568 118.761 118.761 117.676 1.085 18053 10046 1 15 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.587 0.125 18053 10047 1 15 . 1 1 138 138 ASN C C 568 174.551 174.551 174.109 0.442 18053 10048 1 15 . 1 1 138 138 ASN CA C 568 53.193 53.193 54.304 -1.111 18053 10049 1 15 . 1 1 138 138 ASN CB C 568 39.327 39.327 37.475 1.852 18053 10050 1 15 . 1 1 138 138 ASN H H 568 8.397 8.397 8.553 -0.156 18053 10051 1 16 . 1 1 20 20 ALA N N 450 125.180 125.180 128.002 -2.822 18053 10052 1 16 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.582 0.124 18053 10053 1 16 . 1 1 20 20 ALA C C 450 177.226 177.226 175.610 1.616 18053 10054 1 16 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.593 0.164 18053 10055 1 16 . 1 1 20 20 ALA CB C 450 20.411 20.411 21.037 -0.626 18053 10056 1 16 . 1 1 20 20 ALA H H 450 8.484 8.484 8.463 0.021 18053 10057 1 16 . 1 1 21 21 SER N N 451 115.714 115.714 119.007 -3.293 18053 10058 1 16 . 1 1 21 21 SER HA H 451 4.513 4.513 4.323 0.190 18053 10059 1 16 . 1 1 21 21 SER C C 451 174.742 174.742 176.235 -1.493 18053 10060 1 16 . 1 1 21 21 SER CA C 451 58.516 58.516 57.518 0.998 18053 10061 1 16 . 1 1 21 21 SER CB C 451 64.159 64.159 62.211 1.948 18053 10062 1 16 . 1 1 21 21 SER H H 451 8.487 8.487 8.509 -0.022 18053 10063 1 16 . 1 1 22 22 GLY N N 452 111.509 111.509 117.374 -5.865 18053 10064 1 16 . 1 1 22 22 GLY C C 452 174.401 174.401 175.810 -1.409 18053 10065 1 16 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.690 -0.631 18053 10066 1 16 . 1 1 22 22 GLY H H 452 8.198 8.198 8.310 -0.112 18053 10067 1 16 . 1 1 23 23 SER N N 453 116.191 116.191 116.366 -0.175 18053 10068 1 16 . 1 1 23 23 SER HA H 453 4.364 4.364 4.256 0.108 18053 10069 1 16 . 1 1 23 23 SER C C 453 173.432 173.432 174.414 -0.982 18053 10070 1 16 . 1 1 23 23 SER CA C 453 59.744 59.744 61.797 -2.053 18053 10071 1 16 . 1 1 23 23 SER CB C 453 64.335 64.335 63.773 0.562 18053 10072 1 16 . 1 1 23 23 SER H H 453 8.494 8.494 7.955 0.539 18053 10073 1 16 . 1 1 24 24 VAL N N 454 121.656 121.656 120.807 0.849 18053 10074 1 16 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.395 0.640 18053 10075 1 16 . 1 1 24 24 VAL C C 454 174.606 174.606 175.363 -0.757 18053 10076 1 16 . 1 1 24 24 VAL CA C 454 61.055 61.055 62.238 -1.183 18053 10077 1 16 . 1 1 24 24 VAL CB C 454 32.503 32.503 32.429 0.074 18053 10078 1 16 . 1 1 24 24 VAL H H 454 7.830 7.830 8.115 -0.285 18053 10079 1 16 . 1 1 25 25 SER N N 455 119.323 119.323 122.561 -3.238 18053 10080 1 16 . 1 1 25 25 SER HA H 455 4.672 4.672 4.859 -0.187 18053 10081 1 16 . 1 1 25 25 SER C C 455 174.426 174.426 173.885 0.541 18053 10082 1 16 . 1 1 25 25 SER CA C 455 55.268 55.268 56.194 -0.926 18053 10083 1 16 . 1 1 25 25 SER CB C 455 65.162 65.162 65.421 -0.259 18053 10084 1 16 . 1 1 25 25 SER H H 455 9.065 9.065 8.742 0.323 18053 10085 1 16 . 1 1 26 26 ILE N N 456 119.468 119.468 124.886 -5.418 18053 10086 1 16 . 1 1 26 26 ILE HA H 456 4.180 4.180 3.980 0.200 18053 10087 1 16 . 1 1 26 26 ILE C C 456 175.506 175.506 176.299 -0.793 18053 10088 1 16 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.273 -0.945 18053 10089 1 16 . 1 1 26 26 ILE CB C 456 37.962 37.962 38.104 -0.142 18053 10090 1 16 . 1 1 26 26 ILE H H 456 8.295 8.295 8.801 -0.506 18053 10091 1 16 . 1 1 27 27 GLU N N 457 129.726 129.726 127.922 1.804 18053 10092 1 16 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.292 -0.064 18053 10093 1 16 . 1 1 27 27 GLU C C 457 175.179 175.179 177.101 -1.922 18053 10094 1 16 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.956 -2.524 18053 10095 1 16 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.393 -0.251 18053 10096 1 16 . 1 1 27 27 GLU H H 457 8.393 8.393 8.597 -0.204 18053 10097 1 16 . 1 1 28 28 GLU N N 458 117.076 117.076 117.366 -0.290 18053 10098 1 16 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.612 -0.444 18053 10099 1 16 . 1 1 28 28 GLU C C 458 174.701 174.701 174.738 -0.037 18053 10100 1 16 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.158 1.748 18053 10101 1 16 . 1 1 28 28 GLU CB C 458 31.848 31.848 33.115 -1.267 18053 10102 1 16 . 1 1 28 28 GLU H H 458 7.489 7.489 8.023 -0.534 18053 10103 1 16 . 1 1 29 29 ILE N N 459 122.183 122.183 120.854 1.329 18053 10104 1 16 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.133 -0.369 18053 10105 1 16 . 1 1 29 29 ILE C C 459 174.169 174.169 175.370 -1.201 18053 10106 1 16 . 1 1 29 29 ILE CA C 459 59.526 59.526 57.751 1.775 18053 10107 1 16 . 1 1 29 29 ILE CB C 459 40.309 40.309 40.812 -0.503 18053 10108 1 16 . 1 1 29 29 ILE H H 459 8.126 8.126 8.273 -0.147 18053 10109 1 16 . 1 1 30 30 ASP N N 460 123.205 123.205 125.558 -2.353 18053 10110 1 16 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.217 -0.034 18053 10111 1 16 . 1 1 30 30 ASP C C 460 178.318 178.318 176.105 2.213 18053 10112 1 16 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.756 0.174 18053 10113 1 16 . 1 1 30 30 ASP CB C 460 42.807 42.807 41.221 1.586 18053 10114 1 16 . 1 1 30 30 ASP H H 460 6.704 6.704 7.730 -1.026 18053 10115 1 16 . 1 1 31 31 LEU N N 461 128.551 128.551 114.558 13.993 18053 10116 1 16 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.469 -0.405 18053 10117 1 16 . 1 1 31 31 LEU C C 461 177.513 177.513 176.527 0.986 18053 10118 1 16 . 1 1 31 31 LEU CA C 461 57.124 57.124 55.130 1.994 18053 10119 1 16 . 1 1 31 31 LEU CB C 461 41.237 41.237 42.184 -0.947 18053 10120 1 16 . 1 1 31 31 LEU H H 461 9.012 9.012 7.842 1.170 18053 10121 1 16 . 1 1 32 32 GLU N N 462 115.101 115.101 117.442 -2.341 18053 10122 1 16 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.533 -0.250 18053 10123 1 16 . 1 1 32 32 GLU C C 462 177.062 177.062 176.198 0.864 18053 10124 1 16 . 1 1 32 32 GLU CA C 462 55.759 55.759 55.523 0.236 18053 10125 1 16 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.598 -1.029 18053 10126 1 16 . 1 1 32 32 GLU H H 462 7.588 7.588 7.998 -0.410 18053 10127 1 16 . 1 1 33 33 GLY N N 463 106.299 106.299 108.436 -2.137 18053 10128 1 16 . 1 1 33 33 GLY C C 463 174.824 174.824 174.087 0.737 18053 10129 1 16 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.713 1.093 18053 10130 1 16 . 1 1 33 33 GLY H H 463 7.372 7.372 8.283 -0.911 18053 10131 1 16 . 1 1 34 34 LYS N N 464 118.744 118.744 116.702 2.042 18053 10132 1 16 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.647 -0.085 18053 10133 1 16 . 1 1 34 34 LYS C C 464 177.076 177.076 174.704 2.372 18053 10134 1 16 . 1 1 34 34 LYS CA C 464 59.963 59.963 56.959 3.004 18053 10135 1 16 . 1 1 34 34 LYS CB C 464 33.111 33.111 34.435 -1.324 18053 10136 1 16 . 1 1 34 34 LYS H H 464 9.547 9.547 8.210 1.337 18053 10137 1 16 . 1 1 35 35 PHE N N 465 109.125 109.125 112.481 -3.356 18053 10138 1 16 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.904 0.610 18053 10139 1 16 . 1 1 35 35 PHE C C 465 174.183 174.183 172.470 1.713 18053 10140 1 16 . 1 1 35 35 PHE CA C 465 56.632 56.632 56.126 0.506 18053 10141 1 16 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.188 0.411 18053 10142 1 16 . 1 1 35 35 PHE H H 465 6.740 6.740 7.348 -0.608 18053 10143 1 16 . 1 1 36 36 VAL N N 466 119.579 119.579 120.640 -1.061 18053 10144 1 16 . 1 1 36 36 VAL HA H 466 3.709 3.709 3.959 -0.250 18053 10145 1 16 . 1 1 36 36 VAL C C 466 172.668 172.668 174.532 -1.864 18053 10146 1 16 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.224 1.468 18053 10147 1 16 . 1 1 36 36 VAL CB C 466 36.215 36.215 33.076 3.139 18053 10148 1 16 . 1 1 36 36 VAL H H 466 7.628 7.628 8.418 -0.790 18053 10149 1 16 . 1 1 37 37 GLN N N 467 126.831 126.831 128.191 -1.360 18053 10150 1 16 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.644 0.805 18053 10151 1 16 . 1 1 37 37 GLN C C 467 174.797 174.797 174.803 -0.006 18053 10152 1 16 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.837 -0.716 18053 10153 1 16 . 1 1 37 37 GLN CB C 467 34.623 34.623 28.660 5.963 18053 10154 1 16 . 1 1 37 37 GLN H H 467 8.392 8.392 8.294 0.098 18053 10155 1 16 . 1 1 38 38 LEU N N 468 123.018 123.018 127.489 -4.471 18053 10156 1 16 . 1 1 38 38 LEU HA H 468 5.422 5.422 4.629 0.793 18053 10157 1 16 . 1 1 38 38 LEU C C 468 175.588 175.588 176.179 -0.591 18053 10158 1 16 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.183 -1.481 18053 10159 1 16 . 1 1 38 38 LEU CB C 468 45.046 45.046 43.914 1.132 18053 10160 1 16 . 1 1 38 38 LEU H H 468 9.103 9.103 8.891 0.212 18053 10161 1 16 . 1 1 39 39 LYS N N 469 118.983 118.983 119.096 -0.113 18053 10162 1 16 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.549 0.303 18053 10163 1 16 . 1 1 39 39 LYS C C 469 173.309 173.309 174.067 -0.758 18053 10164 1 16 . 1 1 39 39 LYS CA C 469 54.994 54.994 55.563 -0.569 18053 10165 1 16 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.714 1.532 18053 10166 1 16 . 1 1 39 39 LYS H H 469 8.496 8.496 8.635 -0.139 18053 10167 1 16 . 1 1 40 40 ASN N N 470 121.758 121.758 122.604 -0.846 18053 10168 1 16 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.739 0.049 18053 10169 1 16 . 1 1 40 40 ASN C C 470 174.496 174.496 174.920 -0.424 18053 10170 1 16 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.673 -1.554 18053 10171 1 16 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.707 -2.148 18053 10172 1 16 . 1 1 40 40 ASN H H 470 8.283 8.283 8.655 -0.372 18053 10173 1 16 . 1 1 41 41 ASN N N 471 122.422 122.422 123.339 -0.917 18053 10174 1 16 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.828 -0.240 18053 10175 1 16 . 1 1 41 41 ASN C C 471 174.810 174.810 174.378 0.432 18053 10176 1 16 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.001 0.985 18053 10177 1 16 . 1 1 41 41 ASN CB C 471 39.600 39.600 40.464 -0.864 18053 10178 1 16 . 1 1 41 41 ASN H H 471 8.681 8.681 8.865 -0.184 18053 10179 1 16 . 1 1 42 42 SER N N 472 116.446 116.446 117.010 -0.564 18053 10180 1 16 . 1 1 42 42 SER HA H 472 4.719 4.719 4.487 0.232 18053 10181 1 16 . 1 1 42 42 SER C C 472 172.804 172.804 174.675 -1.871 18053 10182 1 16 . 1 1 42 42 SER CA C 472 57.288 57.288 58.246 -0.959 18053 10183 1 16 . 1 1 42 42 SER CB C 472 66.241 66.241 64.711 1.530 18053 10184 1 16 . 1 1 42 42 SER H H 472 8.370 8.370 8.025 0.345 18053 10185 1 16 . 1 1 43 43 ASP N N 473 117.706 117.706 123.851 -6.145 18053 10186 1 16 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.534 -0.060 18053 10187 1 16 . 1 1 43 43 ASP C C 473 175.343 175.343 176.026 -0.683 18053 10188 1 16 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.470 -1.949 18053 10189 1 16 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.330 -1.008 18053 10190 1 16 . 1 1 43 43 ASP H H 473 8.254 8.254 8.720 -0.466 18053 10191 1 16 . 1 1 44 44 LYS N N 474 120.209 120.209 118.296 1.913 18053 10192 1 16 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.490 0.079 18053 10193 1 16 . 1 1 44 44 LYS C C 474 175.397 175.397 175.391 0.006 18053 10194 1 16 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.555 -0.543 18053 10195 1 16 . 1 1 44 44 LYS CB C 474 35.383 35.383 33.945 1.438 18053 10196 1 16 . 1 1 44 44 LYS H H 474 8.305 8.305 7.312 0.993 18053 10197 1 16 . 1 1 45 45 ASP N N 475 124.993 124.993 121.226 3.767 18053 10198 1 16 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.530 -0.555 18053 10199 1 16 . 1 1 45 45 ASP C C 475 174.810 174.810 176.029 -1.219 18053 10200 1 16 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.532 0.463 18053 10201 1 16 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.540 -0.176 18053 10202 1 16 . 1 1 45 45 ASP H H 475 8.722 8.722 8.489 0.233 18053 10203 1 16 . 1 1 46 46 GLN N N 476 120.549 120.549 125.282 -4.733 18053 10204 1 16 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.393 0.043 18053 10205 1 16 . 1 1 46 46 GLN C C 476 174.019 174.019 175.097 -1.078 18053 10206 1 16 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.672 -1.534 18053 10207 1 16 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.970 1.496 18053 10208 1 16 . 1 1 46 46 GLN H H 476 7.878 7.878 8.223 -0.345 18053 10209 1 16 . 1 1 47 47 SER N N 477 121.537 121.537 121.692 -0.155 18053 10210 1 16 . 1 1 47 47 SER HA H 477 4.229 4.229 4.231 -0.002 18053 10211 1 16 . 1 1 47 47 SER C C 477 174.565 174.565 173.992 0.573 18053 10212 1 16 . 1 1 47 47 SER CA C 477 58.706 58.706 58.517 0.189 18053 10213 1 16 . 1 1 47 47 SER CB C 477 62.965 62.965 62.763 0.202 18053 10214 1 16 . 1 1 47 47 SER H H 477 8.748 8.748 8.744 0.004 18053 10215 1 16 . 1 1 48 48 LEU N N 478 127.751 127.751 126.335 1.416 18053 10216 1 16 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.259 -1.628 18053 10217 1 16 . 1 1 48 48 LEU C C 478 176.789 176.789 177.190 -0.401 18053 10218 1 16 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.110 -2.008 18053 10219 1 16 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.739 -1.396 18053 10220 1 16 . 1 1 48 48 LEU H H 478 7.856 7.856 7.603 0.253 18053 10221 1 16 . 1 1 49 49 GLY N N 479 107.525 107.525 110.569 -3.044 18053 10222 1 16 . 1 1 49 49 GLY C C 479 176.653 176.653 175.131 1.522 18053 10223 1 16 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.774 2.288 18053 10224 1 16 . 1 1 49 49 GLY H H 479 7.728 7.728 8.388 -0.660 18053 10225 1 16 . 1 1 50 50 ASN N N 480 117.059 117.059 119.637 -2.578 18053 10226 1 16 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.598 -0.343 18053 10227 1 16 . 1 1 50 50 ASN C C 480 174.961 174.961 175.570 -0.609 18053 10228 1 16 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.617 1.743 18053 10229 1 16 . 1 1 50 50 ASN CB C 480 37.416 37.416 39.000 -1.584 18053 10230 1 16 . 1 1 50 50 ASN H H 480 7.552 7.552 8.735 -1.183 18053 10231 1 16 . 1 1 51 51 TRP N N 481 122.166 122.166 117.991 4.175 18053 10232 1 16 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.647 -0.170 18053 10233 1 16 . 1 1 51 51 TRP C C 481 175.575 175.575 175.747 -0.172 18053 10234 1 16 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.431 0.331 18053 10235 1 16 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.209 -2.168 18053 10236 1 16 . 1 1 51 51 TRP H H 481 8.914 8.914 7.842 1.072 18053 10237 1 16 . 1 1 52 52 ARG N N 482 116.480 116.480 115.198 1.282 18053 10238 1 16 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.373 0.595 18053 10239 1 16 . 1 1 52 52 ARG C C 482 175.807 175.807 174.526 1.281 18053 10240 1 16 . 1 1 52 52 ARG CA C 482 54.121 54.121 55.385 -1.264 18053 10241 1 16 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.251 0.873 18053 10242 1 16 . 1 1 52 52 ARG H H 482 9.147 9.147 9.187 -0.040 18053 10243 1 16 . 1 1 53 53 ILE N N 483 119.579 119.579 124.017 -4.438 18053 10244 1 16 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.991 -0.006 18053 10245 1 16 . 1 1 53 53 ILE C C 483 175.670 175.670 175.978 -0.308 18053 10246 1 16 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.516 -0.116 18053 10247 1 16 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.562 1.665 18053 10248 1 16 . 1 1 53 53 ILE H H 483 9.000 9.000 8.592 0.408 18053 10249 1 16 . 1 1 54 54 LYS N N 484 124.737 124.737 128.261 -3.524 18053 10250 1 16 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.081 0.382 18053 10251 1 16 . 1 1 54 54 LYS C C 484 175.575 175.575 176.272 -0.697 18053 10252 1 16 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.316 -1.702 18053 10253 1 16 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.077 0.964 18053 10254 1 16 . 1 1 54 54 LYS H H 484 9.678 9.678 8.512 1.166 18053 10255 1 16 . 1 1 55 55 ARG N N 485 124.090 124.090 122.084 2.006 18053 10256 1 16 . 1 1 55 55 ARG HA H 485 5.525 5.525 5.056 0.469 18053 10257 1 16 . 1 1 55 55 ARG C C 485 174.155 174.155 174.055 0.100 18053 10258 1 16 . 1 1 55 55 ARG CA C 485 53.903 53.903 56.148 -2.245 18053 10259 1 16 . 1 1 55 55 ARG H H 485 9.314 9.314 8.693 0.621 18053 10260 1 16 . 1 1 56 56 GLN N N 486 126.576 126.576 128.394 -1.818 18053 10261 1 16 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.948 -0.106 18053 10262 1 16 . 1 1 56 56 GLN C C 486 174.991 174.991 174.828 0.163 18053 10263 1 16 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.537 0.294 18053 10264 1 16 . 1 1 56 56 GLN CB C 486 31.465 31.465 31.090 0.375 18053 10265 1 16 . 1 1 56 56 GLN H H 486 8.831 8.831 8.663 0.168 18053 10266 1 16 . 1 1 57 57 VAL N N 487 126.712 126.712 125.608 1.104 18053 10267 1 16 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.193 0.073 18053 10268 1 16 . 1 1 57 57 VAL C C 487 175.916 175.916 178.201 -2.285 18053 10269 1 16 . 1 1 57 57 VAL CA C 487 61.820 61.820 63.467 -1.647 18053 10270 1 16 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.052 0.751 18053 10271 1 16 . 1 1 57 57 VAL H H 487 8.786 8.786 8.632 0.154 18053 10272 1 16 . 1 1 58 58 LEU N N 488 127.274 127.274 123.525 3.749 18053 10273 1 16 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.097 -0.012 18053 10274 1 16 . 1 1 58 58 LEU C C 488 177.158 177.158 177.958 -0.800 18053 10275 1 16 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.989 -1.083 18053 10276 1 16 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.678 -0.304 18053 10277 1 16 . 1 1 58 58 LEU H H 488 8.316 8.316 8.561 -0.245 18053 10278 1 16 . 1 1 59 59 GLU N N 489 119.647 119.647 118.366 1.281 18053 10279 1 16 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.215 -0.103 18053 10280 1 16 . 1 1 59 59 GLU C C 489 176.230 176.230 177.214 -0.984 18053 10281 1 16 . 1 1 59 59 GLU CA C 489 57.015 57.015 57.378 -0.363 18053 10282 1 16 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.907 -1.758 18053 10283 1 16 . 1 1 59 59 GLU H H 489 8.636 8.636 8.237 0.399 18053 10284 1 16 . 1 1 60 60 GLY N N 490 108.819 108.819 106.853 1.966 18053 10285 1 16 . 1 1 60 60 GLY C C 490 173.568 173.568 173.292 0.276 18053 10286 1 16 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.735 0.038 18053 10287 1 16 . 1 1 60 60 GLY H H 490 8.160 8.160 7.694 0.466 18053 10288 1 16 . 1 1 61 61 GLU N N 491 121.009 121.009 123.145 -2.136 18053 10289 1 16 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.258 0.065 18053 10290 1 16 . 1 1 61 61 GLU C C 491 175.725 175.725 175.653 0.072 18053 10291 1 16 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.734 -0.538 18053 10292 1 16 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.426 1.439 18053 10293 1 16 . 1 1 61 61 GLU H H 491 8.320 8.320 8.622 -0.302 18053 10294 1 16 . 1 1 62 62 GLU N N 492 123.426 123.426 124.544 -1.118 18053 10295 1 16 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.164 -0.110 18053 10296 1 16 . 1 1 62 62 GLU C C 492 175.930 175.930 176.289 -0.359 18053 10297 1 16 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.551 1.099 18053 10298 1 16 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.712 1.600 18053 10299 1 16 . 1 1 62 62 GLU H H 492 8.594 8.594 8.538 0.056 18053 10300 1 16 . 1 1 63 63 ILE N N 493 119.732 119.732 119.830 -0.098 18053 10301 1 16 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.702 0.086 18053 10302 1 16 . 1 1 63 63 ILE C C 493 174.647 174.647 174.507 0.140 18053 10303 1 16 . 1 1 63 63 ILE CA C 493 60.181 60.181 60.017 0.164 18053 10304 1 16 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.375 0.808 18053 10305 1 16 . 1 1 63 63 ILE H H 493 8.523 8.523 8.281 0.242 18053 10306 1 16 . 1 1 64 64 ALA N N 494 122.166 122.166 126.628 -4.462 18053 10307 1 16 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.909 0.612 18053 10308 1 16 . 1 1 64 64 ALA C C 494 174.606 174.606 176.073 -1.467 18053 10309 1 16 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.383 1.145 18053 10310 1 16 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.041 1.198 18053 10311 1 16 . 1 1 64 64 ALA H H 494 8.741 8.741 8.280 0.461 18053 10312 1 16 . 1 1 65 65 TYR N N 495 126.729 126.729 126.089 0.640 18053 10313 1 16 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.376 -0.282 18053 10314 1 16 . 1 1 65 65 TYR C C 495 173.036 173.036 174.103 -1.067 18053 10315 1 16 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.055 0.850 18053 10316 1 16 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.119 2.150 18053 10317 1 16 . 1 1 65 65 TYR H H 495 8.462 8.462 8.511 -0.049 18053 10318 1 16 . 1 1 66 66 LYS N N 496 128.108 128.108 127.945 0.163 18053 10319 1 16 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.088 0.734 18053 10320 1 16 . 1 1 66 66 LYS C C 496 174.906 174.906 175.775 -0.869 18053 10321 1 16 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.799 -1.060 18053 10322 1 16 . 1 1 66 66 LYS CB C 496 34.782 34.782 31.542 3.240 18053 10323 1 16 . 1 1 66 66 LYS H H 496 7.010 7.010 7.605 -0.595 18053 10324 1 16 . 1 1 67 67 PHE N N 497 125.299 125.299 124.144 1.155 18053 10325 1 16 . 1 1 67 67 PHE HA H 497 3.932 3.932 3.954 -0.022 18053 10326 1 16 . 1 1 67 67 PHE C C 497 177.990 177.990 175.855 2.135 18053 10327 1 16 . 1 1 67 67 PHE CA C 497 59.007 59.007 58.354 0.653 18053 10328 1 16 . 1 1 67 67 PHE CB C 497 40.981 40.981 39.850 1.131 18053 10329 1 16 . 1 1 67 67 PHE H H 497 8.509 8.509 7.868 0.641 18053 10330 1 16 . 1 1 68 68 THR N N 498 116.191 116.191 112.048 4.143 18053 10331 1 16 . 1 1 68 68 THR HA H 498 4.417 4.417 4.734 -0.317 18053 10332 1 16 . 1 1 68 68 THR CA C 498 60.855 60.855 59.050 1.805 18053 10333 1 16 . 1 1 68 68 THR CB C 498 68.019 68.019 69.439 -1.420 18053 10334 1 16 . 1 1 68 68 THR H H 498 8.688 8.688 8.406 0.282 18053 10335 1 16 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.520 -0.572 18053 10336 1 16 . 1 1 69 69 PRO C C 499 177.444 177.444 176.957 0.487 18053 10337 1 16 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.522 1.555 18053 10338 1 16 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.933 0.843 18053 10339 1 16 . 1 1 70 70 LYS N N 500 113.552 113.552 115.416 -1.864 18053 10340 1 16 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.171 0.214 18053 10341 1 16 . 1 1 70 70 LYS C C 500 176.325 176.325 176.689 -0.364 18053 10342 1 16 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.953 -1.958 18053 10343 1 16 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.877 -0.084 18053 10344 1 16 . 1 1 70 70 LYS H H 500 8.016 8.016 7.934 0.082 18053 10345 1 16 . 1 1 71 71 TYR N N 501 121.860 121.860 121.111 0.749 18053 10346 1 16 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.473 -0.743 18053 10347 1 16 . 1 1 71 71 TYR C C 501 174.838 174.838 174.014 0.824 18053 10348 1 16 . 1 1 71 71 TYR CA C 501 62.310 62.310 58.778 3.532 18053 10349 1 16 . 1 1 71 71 TYR CB C 501 38.781 38.781 40.007 -1.226 18053 10350 1 16 . 1 1 71 71 TYR H H 501 7.460 7.460 7.697 -0.237 18053 10351 1 16 . 1 1 72 72 ILE N N 502 129.487 129.487 125.395 4.092 18053 10352 1 16 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.390 -0.462 18053 10353 1 16 . 1 1 72 72 ILE C C 502 172.968 172.968 173.905 -0.937 18053 10354 1 16 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.417 -0.109 18053 10355 1 16 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.218 -0.308 18053 10356 1 16 . 1 1 72 72 ILE H H 502 7.168 7.168 7.616 -0.448 18053 10357 1 16 . 1 1 73 73 LEU N N 503 128.278 128.278 127.249 1.029 18053 10358 1 16 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.508 -0.015 18053 10359 1 16 . 1 1 73 73 LEU C C 503 175.834 175.834 175.530 0.304 18053 10360 1 16 . 1 1 73 73 LEU CA C 503 51.965 51.965 52.822 -0.857 18053 10361 1 16 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.242 -1.694 18053 10362 1 16 . 1 1 73 73 LEU H H 503 8.483 8.483 8.601 -0.118 18053 10363 1 16 . 1 1 74 74 ARG N N 504 129.589 129.589 122.774 6.815 18053 10364 1 16 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.530 -0.787 18053 10365 1 16 . 1 1 74 74 ARG C C 504 175.233 175.233 175.743 -0.510 18053 10366 1 16 . 1 1 74 74 ARG CA C 504 56.851 56.851 54.876 1.975 18053 10367 1 16 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.756 -0.464 18053 10368 1 16 . 1 1 74 74 ARG H H 504 8.673 8.673 8.508 0.165 18053 10369 1 16 . 1 1 75 75 ALA N N 505 123.205 123.205 125.026 -1.821 18053 10370 1 16 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.112 -0.590 18053 10371 1 16 . 1 1 75 75 ALA C C 505 178.441 178.441 177.997 0.444 18053 10372 1 16 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.112 0.681 18053 10373 1 16 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.565 0.345 18053 10374 1 16 . 1 1 75 75 ALA H H 505 8.564 8.564 8.210 0.354 18053 10375 1 16 . 1 1 76 76 GLY N N 506 112.241 112.241 111.909 0.332 18053 10376 1 16 . 1 1 76 76 GLY C C 506 174.278 174.278 174.605 -0.327 18053 10377 1 16 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.276 1.449 18053 10378 1 16 . 1 1 76 76 GLY H H 506 7.381 7.381 8.727 -1.346 18053 10379 1 16 . 1 1 77 77 GLN N N 507 117.382 117.382 119.975 -2.593 18053 10380 1 16 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.483 -0.119 18053 10381 1 16 . 1 1 77 77 GLN C C 507 173.937 173.937 175.378 -1.441 18053 10382 1 16 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.919 -0.361 18053 10383 1 16 . 1 1 77 77 GLN CB C 507 30.073 30.073 29.691 0.382 18053 10384 1 16 . 1 1 77 77 GLN H H 507 7.996 7.996 7.530 0.466 18053 10385 1 16 . 1 1 78 78 MET N N 508 116.957 116.957 117.583 -0.626 18053 10386 1 16 . 1 1 78 78 MET HA H 508 5.388 5.388 4.691 0.697 18053 10387 1 16 . 1 1 78 78 MET C C 508 175.807 175.807 174.504 1.303 18053 10388 1 16 . 1 1 78 78 MET CA C 508 54.067 54.067 54.722 -0.655 18053 10389 1 16 . 1 1 78 78 MET CB C 508 37.198 37.198 35.523 1.675 18053 10390 1 16 . 1 1 78 78 MET H H 508 8.092 8.092 8.329 -0.237 18053 10391 1 16 . 1 1 79 79 VAL N N 509 119.340 119.340 118.454 0.886 18053 10392 1 16 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.615 0.341 18053 10393 1 16 . 1 1 79 79 VAL C C 509 172.217 172.217 173.937 -1.720 18053 10394 1 16 . 1 1 79 79 VAL CA C 509 59.471 59.471 61.127 -1.656 18053 10395 1 16 . 1 1 79 79 VAL CB C 509 33.676 33.676 36.775 -3.099 18053 10396 1 16 . 1 1 79 79 VAL H H 509 8.534 8.534 8.146 0.388 18053 10397 1 16 . 1 1 80 80 THR N N 510 124.533 124.533 123.709 0.824 18053 10398 1 16 . 1 1 80 80 THR HA H 510 4.586 4.586 5.121 -0.535 18053 10399 1 16 . 1 1 80 80 THR C C 510 172.215 172.215 174.071 -1.856 18053 10400 1 16 . 1 1 80 80 THR CA C 510 62.119 62.119 61.592 0.527 18053 10401 1 16 . 1 1 80 80 THR CB C 510 69.407 69.407 69.955 -0.548 18053 10402 1 16 . 1 1 80 80 THR H H 510 8.301 8.301 8.889 -0.588 18053 10403 1 16 . 1 1 81 81 VAL N N 511 127.002 127.002 127.687 -0.685 18053 10404 1 16 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.794 -0.198 18053 10405 1 16 . 1 1 81 81 VAL C C 511 176.667 176.667 176.164 0.503 18053 10406 1 16 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.041 -0.659 18053 10407 1 16 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.753 -0.808 18053 10408 1 16 . 1 1 81 81 VAL H H 511 8.796 8.796 8.682 0.114 18053 10409 1 16 . 1 1 82 82 TRP N N 512 131.479 131.479 129.756 1.723 18053 10410 1 16 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.279 0.059 18053 10411 1 16 . 1 1 82 82 TRP C C 512 176.885 176.885 175.802 1.083 18053 10412 1 16 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.823 -1.381 18053 10413 1 16 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.314 -0.613 18053 10414 1 16 . 1 1 82 82 TRP H H 512 9.924 9.924 8.842 1.082 18053 10415 1 16 . 1 1 83 83 ALA N N 513 123.954 123.954 120.570 3.384 18053 10416 1 16 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.830 -0.522 18053 10417 1 16 . 1 1 83 83 ALA C C 513 178.140 178.140 178.025 0.115 18053 10418 1 16 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.399 1.812 18053 10419 1 16 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.631 -1.887 18053 10420 1 16 . 1 1 83 83 ALA H H 513 9.048 9.048 8.832 0.216 18053 10421 1 16 . 1 1 84 84 ALA N N 514 125.146 125.146 124.121 1.025 18053 10422 1 16 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.197 -0.246 18053 10423 1 16 . 1 1 84 84 ALA C C 514 179.519 179.519 177.778 1.741 18053 10424 1 16 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.142 0.662 18053 10425 1 16 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.148 -0.565 18053 10426 1 16 . 1 1 84 84 ALA H H 514 8.341 8.341 8.327 0.014 18053 10427 1 16 . 1 1 85 85 GLY N N 515 103.388 103.388 103.547 -0.159 18053 10428 1 16 . 1 1 85 85 GLY C C 515 174.674 174.674 174.557 0.117 18053 10429 1 16 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.146 1.732 18053 10430 1 16 . 1 1 85 85 GLY H H 515 7.996 7.996 7.608 0.388 18053 10431 1 16 . 1 1 86 86 ALA N N 516 120.140 120.140 122.656 -2.516 18053 10432 1 16 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.723 -0.379 18053 10433 1 16 . 1 1 86 86 ALA C C 516 177.690 177.690 177.867 -0.177 18053 10434 1 16 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.960 1.179 18053 10435 1 16 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.525 1.022 18053 10436 1 16 . 1 1 86 86 ALA H H 516 7.474 7.474 7.313 0.161 18053 10437 1 16 . 1 1 87 87 GLY N N 517 105.720 105.720 107.579 -1.859 18053 10438 1 16 . 1 1 87 87 GLY C C 517 173.650 173.650 174.438 -0.788 18053 10439 1 16 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.345 0.669 18053 10440 1 16 . 1 1 87 87 GLY H H 517 7.779 7.779 8.234 -0.455 18053 10441 1 16 . 1 1 88 88 VAL N N 518 121.537 121.537 118.019 3.518 18053 10442 1 16 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.207 -0.622 18053 10443 1 16 . 1 1 88 88 VAL C C 518 174.851 174.851 174.343 0.508 18053 10444 1 16 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.751 0.523 18053 10445 1 16 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.581 -0.205 18053 10446 1 16 . 1 1 88 88 VAL H H 518 7.499 7.499 7.731 -0.232 18053 10447 1 16 . 1 1 89 89 ALA N N 519 128.295 128.295 128.530 -0.235 18053 10448 1 16 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.445 -0.253 18053 10449 1 16 . 1 1 89 89 ALA C C 519 176.680 176.680 176.739 -0.059 18053 10450 1 16 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.277 0.006 18053 10451 1 16 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.601 -0.309 18053 10452 1 16 . 1 1 89 89 ALA H H 519 7.960 7.960 8.130 -0.170 18053 10453 1 16 . 1 1 90 90 HIS N N 520 122.643 122.643 123.355 -0.712 18053 10454 1 16 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.552 -0.519 18053 10455 1 16 . 1 1 90 90 HIS C C 520 175.793 175.793 174.471 1.322 18053 10456 1 16 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.530 2.123 18053 10457 1 16 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.285 3.000 18053 10458 1 16 . 1 1 90 90 HIS H H 520 8.394 8.394 8.813 -0.419 18053 10459 1 16 . 1 1 91 91 SER N N 521 121.247 121.247 123.635 -2.388 18053 10460 1 16 . 1 1 91 91 SER HA H 521 4.629 4.629 4.681 -0.052 18053 10461 1 16 . 1 1 91 91 SER CA C 521 55.843 55.843 55.964 -0.121 18053 10462 1 16 . 1 1 91 91 SER CB C 521 62.367 62.367 63.600 -1.233 18053 10463 1 16 . 1 1 91 91 SER H H 521 8.569 8.569 8.461 0.108 18053 10464 1 16 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.850 -0.848 18053 10465 1 16 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.237 0.007 18053 10466 1 16 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.453 -0.522 18053 10467 1 16 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.954 -0.282 18053 10468 1 16 . 1 1 93 93 PRO C C 523 177.786 177.786 176.671 1.115 18053 10469 1 16 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.474 0.529 18053 10470 1 16 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.448 2.457 18053 10471 1 16 . 1 1 94 94 SER N N 524 117.212 117.212 117.038 0.174 18053 10472 1 16 . 1 1 94 94 SER HA H 524 4.678 4.678 4.690 -0.012 18053 10473 1 16 . 1 1 94 94 SER C C 524 174.851 174.851 174.592 0.259 18053 10474 1 16 . 1 1 94 94 SER CA C 524 61.874 61.874 60.052 1.822 18053 10475 1 16 . 1 1 94 94 SER CB C 524 64.057 64.057 64.138 -0.081 18053 10476 1 16 . 1 1 94 94 SER H H 524 8.463 8.463 7.680 0.783 18053 10477 1 16 . 1 1 95 95 THR N N 525 121.588 121.588 121.188 0.400 18053 10478 1 16 . 1 1 95 95 THR HA H 525 4.859 4.859 4.808 0.051 18053 10479 1 16 . 1 1 95 95 THR C C 525 172.094 172.094 173.196 -1.102 18053 10480 1 16 . 1 1 95 95 THR CA C 525 62.309 62.309 62.743 -0.434 18053 10481 1 16 . 1 1 95 95 THR CB C 525 70.281 70.281 67.776 2.505 18053 10482 1 16 . 1 1 95 95 THR H H 525 7.631 7.631 8.058 -0.427 18053 10483 1 16 . 1 1 96 96 LEU N N 526 127.274 127.274 130.509 -3.235 18053 10484 1 16 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.867 0.264 18053 10485 1 16 . 1 1 96 96 LEU C C 526 175.916 175.916 175.987 -0.071 18053 10486 1 16 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.213 -2.138 18053 10487 1 16 . 1 1 96 96 LEU CB C 526 43.790 43.790 42.695 1.095 18053 10488 1 16 . 1 1 96 96 LEU H H 526 8.977 8.977 8.194 0.783 18053 10489 1 16 . 1 1 97 97 VAL N N 527 124.056 124.056 124.769 -0.713 18053 10490 1 16 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.434 0.435 18053 10491 1 16 . 1 1 97 97 VAL C C 527 176.230 176.230 175.569 0.661 18053 10492 1 16 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.888 -0.368 18053 10493 1 16 . 1 1 97 97 VAL CB C 527 33.704 33.704 32.045 1.659 18053 10494 1 16 . 1 1 97 97 VAL H H 527 10.724 10.724 8.639 2.085 18053 10495 1 16 . 1 1 98 98 TRP N N 528 132.586 132.586 132.039 0.547 18053 10496 1 16 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.244 0.721 18053 10497 1 16 . 1 1 98 98 TRP C C 528 173.391 173.391 174.505 -1.114 18053 10498 1 16 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.083 -1.780 18053 10499 1 16 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.135 0.110 18053 10500 1 16 . 1 1 98 98 TRP H H 528 9.400 9.400 9.009 0.391 18053 10501 1 16 . 1 1 99 99 LYS N N 529 126.644 126.644 128.522 -1.878 18053 10502 1 16 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.182 -0.343 18053 10503 1 16 . 1 1 99 99 LYS C C 529 177.581 177.581 177.226 0.355 18053 10504 1 16 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.190 1.353 18053 10505 1 16 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.794 -0.618 18053 10506 1 16 . 1 1 99 99 LYS H H 529 8.153 8.153 7.962 0.191 18053 10507 1 16 . 1 1 100 100 GLY N N 530 110.385 110.385 112.810 -2.425 18053 10508 1 16 . 1 1 100 100 GLY C C 530 172.367 172.367 173.396 -1.029 18053 10509 1 16 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.692 0.586 18053 10510 1 16 . 1 1 100 100 GLY H H 530 8.363 8.363 8.533 -0.170 18053 10511 1 16 . 1 1 101 101 GLN N N 531 121.162 121.162 121.022 0.140 18053 10512 1 16 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.218 -0.246 18053 10513 1 16 . 1 1 101 101 GLN CA C 531 52.620 52.620 52.756 -0.136 18053 10514 1 16 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.742 -1.147 18053 10515 1 16 . 1 1 101 101 GLN H H 531 6.815 6.815 7.134 -0.319 18053 10516 1 16 . 1 1 102 102 SER N N 532 122.728 122.728 122.638 0.090 18053 10517 1 16 . 1 1 102 102 SER HA H 532 3.866 3.866 4.356 -0.490 18053 10518 1 16 . 1 1 102 102 SER C C 532 174.537 174.537 175.613 -1.076 18053 10519 1 16 . 1 1 102 102 SER CA C 532 61.983 61.983 61.261 0.723 18053 10520 1 16 . 1 1 102 102 SER CB C 532 62.802 62.802 63.127 -0.325 18053 10521 1 16 . 1 1 102 102 SER H H 532 8.662 8.662 8.836 -0.174 18053 10522 1 16 . 1 1 103 103 SER N N 533 110.811 110.811 115.931 -5.120 18053 10523 1 16 . 1 1 103 103 SER HA H 533 4.240 4.240 4.847 -0.607 18053 10524 1 16 . 1 1 103 103 SER C C 533 174.087 174.087 173.544 0.543 18053 10525 1 16 . 1 1 103 103 SER CA C 533 56.633 56.633 57.358 -0.725 18053 10526 1 16 . 1 1 103 103 SER CB C 533 64.658 64.658 63.821 0.837 18053 10527 1 16 . 1 1 103 103 SER H H 533 7.134 7.134 7.656 -0.522 18053 10528 1 16 . 1 1 104 104 TRP N N 534 126.133 126.133 121.557 4.576 18053 10529 1 16 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.091 0.007 18053 10530 1 16 . 1 1 104 104 TRP C C 534 176.066 176.066 175.640 0.426 18053 10531 1 16 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.163 1.964 18053 10532 1 16 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.580 0.184 18053 10533 1 16 . 1 1 104 104 TRP H H 534 9.764 9.764 7.746 2.018 18053 10534 1 16 . 1 1 105 105 GLY N N 535 105.907 105.907 106.223 -0.316 18053 10535 1 16 . 1 1 105 105 GLY C C 535 172.217 172.217 173.911 -1.694 18053 10536 1 16 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.905 -0.665 18053 10537 1 16 . 1 1 105 105 GLY H H 535 8.095 8.095 7.624 0.471 18053 10538 1 16 . 1 1 106 106 THR N N 536 111.253 111.253 112.980 -1.727 18053 10539 1 16 . 1 1 106 106 THR HA H 536 3.859 3.859 4.166 -0.307 18053 10540 1 16 . 1 1 106 106 THR C C 536 172.872 172.872 174.383 -1.511 18053 10541 1 16 . 1 1 106 106 THR CA C 536 59.635 59.635 62.450 -2.814 18053 10542 1 16 . 1 1 106 106 THR CB C 536 70.526 70.526 69.110 1.416 18053 10543 1 16 . 1 1 106 106 THR H H 536 7.913 7.913 7.905 0.008 18053 10544 1 16 . 1 1 107 107 GLY N N 537 107.712 107.712 111.294 -3.582 18053 10545 1 16 . 1 1 107 107 GLY C C 537 172.709 172.709 173.406 -0.697 18053 10546 1 16 . 1 1 107 107 GLY CA C 537 45.166 45.166 44.923 0.242 18053 10547 1 16 . 1 1 107 107 GLY H H 537 7.533 7.533 7.874 -0.341 18053 10548 1 16 . 1 1 108 108 GLU N N 538 118.864 118.864 118.575 0.289 18053 10549 1 16 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.187 -0.051 18053 10550 1 16 . 1 1 108 108 GLU C C 538 176.353 176.353 175.302 1.051 18053 10551 1 16 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.132 0.220 18053 10552 1 16 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.013 0.143 18053 10553 1 16 . 1 1 108 108 GLU H H 538 8.558 8.558 8.535 0.023 18053 10554 1 16 . 1 1 109 109 SER N N 539 110.419 110.419 109.797 0.622 18053 10555 1 16 . 1 1 109 109 SER HA H 539 4.963 4.963 4.772 0.191 18053 10556 1 16 . 1 1 109 109 SER C C 539 173.787 173.787 172.529 1.258 18053 10557 1 16 . 1 1 109 109 SER CA C 539 57.125 57.125 57.104 0.021 18053 10558 1 16 . 1 1 109 109 SER CB C 539 64.439 64.439 65.757 -1.318 18053 10559 1 16 . 1 1 109 109 SER H H 539 7.620 7.620 7.557 0.063 18053 10560 1 16 . 1 1 110 110 PHE N N 540 118.778 118.778 115.647 3.131 18053 10561 1 16 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.292 -0.211 18053 10562 1 16 . 1 1 110 110 PHE C C 540 176.052 176.052 173.594 2.458 18053 10563 1 16 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.913 -0.124 18053 10564 1 16 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.250 -1.490 18053 10565 1 16 . 1 1 110 110 PHE H H 540 8.318 8.318 8.551 -0.233 18053 10566 1 16 . 1 1 112 112 THR HA H 542 5.468 5.468 4.827 0.641 18053 10567 1 16 . 1 1 112 112 THR C C 542 172.381 172.381 173.693 -1.312 18053 10568 1 16 . 1 1 112 112 THR CA C 542 61.818 61.818 62.633 -0.815 18053 10569 1 16 . 1 1 112 112 THR CB C 542 70.990 70.990 68.895 2.095 18053 10570 1 16 . 1 1 113 113 VAL N N 543 124.771 124.771 127.727 -2.956 18053 10571 1 16 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.560 0.304 18053 10572 1 16 . 1 1 113 113 VAL C C 543 173.132 173.132 174.341 -1.209 18053 10573 1 16 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.884 -0.785 18053 10574 1 16 . 1 1 113 113 VAL CB C 543 36.433 36.433 33.849 2.583 18053 10575 1 16 . 1 1 113 113 VAL H H 543 9.380 9.380 8.601 0.779 18053 10576 1 16 . 1 1 114 114 LEU N N 544 128.789 128.789 127.750 1.039 18053 10577 1 16 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.110 0.210 18053 10578 1 16 . 1 1 114 114 LEU C C 544 174.237 174.237 174.942 -0.705 18053 10579 1 16 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.685 -0.492 18053 10580 1 16 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.604 1.275 18053 10581 1 16 . 1 1 114 114 LEU H H 544 8.948 8.948 8.507 0.441 18053 10582 1 16 . 1 1 115 115 VAL N N 545 127.002 127.002 125.288 1.714 18053 10583 1 16 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.846 0.008 18053 10584 1 16 . 1 1 115 115 VAL C C 545 175.206 175.206 174.332 0.874 18053 10585 1 16 . 1 1 115 115 VAL CA C 545 59.334 59.334 59.824 -0.490 18053 10586 1 16 . 1 1 115 115 VAL CB C 545 34.495 34.495 35.336 -0.841 18053 10587 1 16 . 1 1 115 115 VAL H H 545 9.564 9.564 9.100 0.464 18053 10588 1 16 . 1 1 116 116 ASN N N 546 121.179 121.179 119.632 1.547 18053 10589 1 16 . 1 1 116 116 ASN HA H 546 2.897 2.897 4.376 -1.479 18053 10590 1 16 . 1 1 116 116 ASN C C 546 176.885 176.885 175.441 1.444 18053 10591 1 16 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.389 -0.980 18053 10592 1 16 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.675 -3.036 18053 10593 1 16 . 1 1 116 116 ASN H H 546 8.016 8.016 7.857 0.159 18053 10594 1 16 . 1 1 117 117 ALA N N 547 119.834 119.834 122.101 -2.267 18053 10595 1 16 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.040 -0.174 18053 10596 1 16 . 1 1 117 117 ALA C C 547 177.772 177.772 177.952 -0.180 18053 10597 1 16 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.496 0.008 18053 10598 1 16 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.415 -0.215 18053 10599 1 16 . 1 1 117 117 ALA H H 547 6.444 6.444 8.304 -1.860 18053 10600 1 16 . 1 1 118 118 ASP N N 548 115.646 115.646 117.036 -1.390 18053 10601 1 16 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.349 0.295 18053 10602 1 16 . 1 1 118 118 ASP C C 548 176.052 176.052 177.605 -1.553 18053 10603 1 16 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.693 -1.626 18053 10604 1 16 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.455 0.220 18053 10605 1 16 . 1 1 118 118 ASP H H 548 7.181 7.181 7.918 -0.737 18053 10606 1 16 . 1 1 119 119 GLY N N 549 107.167 107.167 106.487 0.680 18053 10607 1 16 . 1 1 119 119 GLY C C 549 173.841 173.841 173.547 0.294 18053 10608 1 16 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.855 0.600 18053 10609 1 16 . 1 1 119 119 GLY H H 549 7.738 7.738 7.708 0.030 18053 10610 1 16 . 1 1 120 120 GLU N N 550 121.196 121.196 120.198 0.998 18053 10611 1 16 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.209 -0.097 18053 10612 1 16 . 1 1 120 120 GLU C C 550 175.588 175.588 175.709 -0.121 18053 10613 1 16 . 1 1 120 120 GLU CA C 550 54.831 54.831 56.022 -1.191 18053 10614 1 16 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.065 -0.128 18053 10615 1 16 . 1 1 120 120 GLU H H 550 7.587 7.587 7.682 -0.095 18053 10616 1 16 . 1 1 121 121 GLU N N 551 123.886 123.886 124.005 -0.119 18053 10617 1 16 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.421 -0.145 18053 10618 1 16 . 1 1 121 121 GLU C C 551 176.817 176.817 176.550 0.267 18053 10619 1 16 . 1 1 121 121 GLU CA C 551 56.796 56.796 55.657 1.139 18053 10620 1 16 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.062 -0.107 18053 10621 1 16 . 1 1 121 121 GLU H H 551 8.697 8.697 8.630 0.067 18053 10622 1 16 . 1 1 122 122 VAL N N 552 120.055 120.055 119.347 0.708 18053 10623 1 16 . 1 1 122 122 VAL HA H 552 4.364 4.364 3.920 0.444 18053 10624 1 16 . 1 1 122 122 VAL C C 552 175.998 175.998 175.224 0.774 18053 10625 1 16 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.793 -1.138 18053 10626 1 16 . 1 1 122 122 VAL CB C 552 33.049 33.049 31.714 1.335 18053 10627 1 16 . 1 1 122 122 VAL H H 552 8.845 8.845 8.150 0.695 18053 10628 1 16 . 1 1 123 123 ALA N N 553 122.098 122.098 119.950 2.148 18053 10629 1 16 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.581 0.309 18053 10630 1 16 . 1 1 123 123 ALA C C 553 175.261 175.261 174.590 0.671 18053 10631 1 16 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.960 0.797 18053 10632 1 16 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.780 0.487 18053 10633 1 16 . 1 1 123 123 ALA H H 553 7.788 7.788 7.511 0.277 18053 10634 1 16 . 1 1 124 124 MET N N 554 118.217 118.217 120.837 -2.620 18053 10635 1 16 . 1 1 124 124 MET HA H 554 5.286 5.286 4.979 0.307 18053 10636 1 16 . 1 1 124 124 MET C C 554 174.428 174.428 174.746 -0.318 18053 10637 1 16 . 1 1 124 124 MET CA C 554 55.104 55.104 55.790 -0.686 18053 10638 1 16 . 1 1 124 124 MET CB C 554 35.342 35.342 35.648 -0.306 18053 10639 1 16 . 1 1 124 124 MET H H 554 8.693 8.693 8.473 0.220 18053 10640 1 16 . 1 1 125 125 ARG N N 555 122.132 122.132 127.637 -5.505 18053 10641 1 16 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.760 0.140 18053 10642 1 16 . 1 1 125 125 ARG CA C 555 56.388 56.388 54.201 2.187 18053 10643 1 16 . 1 1 125 125 ARG CB C 555 34.378 34.378 30.363 4.015 18053 10644 1 16 . 1 1 125 125 ARG H H 555 8.919 8.919 8.831 0.088 18053 10645 1 16 . 1 1 126 126 THR HA H 556 4.685 4.685 4.457 0.228 18053 10646 1 16 . 1 1 126 126 THR C C 556 172.436 172.436 174.189 -1.753 18053 10647 1 16 . 1 1 126 126 THR CA C 556 61.382 61.382 62.753 -1.371 18053 10648 1 16 . 1 1 126 126 THR CB C 556 70.444 70.444 68.488 1.956 18053 10649 1 16 . 1 1 127 127 VAL N N 557 124.976 124.976 123.674 1.302 18053 10650 1 16 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.385 -0.239 18053 10651 1 16 . 1 1 127 127 VAL C C 557 173.937 173.937 174.462 -0.525 18053 10652 1 16 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.111 0.998 18053 10653 1 16 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.169 0.590 18053 10654 1 16 . 1 1 127 127 VAL H H 557 8.127 8.127 8.004 0.123 18053 10655 1 16 . 1 1 128 128 LYS N N 558 125.384 125.384 122.460 2.924 18053 10656 1 16 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.598 0.107 18053 10657 1 16 . 1 1 128 128 LYS C C 558 175.534 175.534 176.159 -0.625 18053 10658 1 16 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.635 1.251 18053 10659 1 16 . 1 1 128 128 LYS CB C 558 34.673 34.673 35.128 -0.455 18053 10660 1 16 . 1 1 128 128 LYS H H 558 8.289 8.289 8.278 0.011 18053 10661 1 16 . 1 1 129 129 LYS N N 559 124.005 124.005 122.775 1.230 18053 10662 1 16 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.218 0.092 18053 10663 1 16 . 1 1 129 129 LYS C C 559 176.571 176.571 176.172 0.399 18053 10664 1 16 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.259 -0.517 18053 10665 1 16 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.401 1.961 18053 10666 1 16 . 1 1 129 129 LYS H H 559 8.461 8.461 8.421 0.040 18053 10667 1 16 . 1 1 130 130 SER N N 560 117.195 117.195 120.667 -3.472 18053 10668 1 16 . 1 1 130 130 SER HA H 560 4.384 4.384 4.422 -0.038 18053 10669 1 16 . 1 1 130 130 SER C C 560 174.565 174.565 173.752 0.813 18053 10670 1 16 . 1 1 130 130 SER CA C 560 58.434 58.434 58.157 0.277 18053 10671 1 16 . 1 1 130 130 SER CB C 560 63.812 63.812 63.335 0.477 18053 10672 1 16 . 1 1 130 130 SER H H 560 8.465 8.465 8.140 0.325 18053 10673 1 16 . 1 1 131 131 SER N N 561 118.149 118.149 116.172 1.977 18053 10674 1 16 . 1 1 131 131 SER HA H 561 4.412 4.412 4.298 0.114 18053 10675 1 16 . 1 1 131 131 SER C C 561 174.456 174.456 173.640 0.816 18053 10676 1 16 . 1 1 131 131 SER CA C 561 58.489 58.489 58.547 -0.058 18053 10677 1 16 . 1 1 131 131 SER CB C 561 63.811 63.811 63.504 0.307 18053 10678 1 16 . 1 1 131 131 SER H H 561 8.336 8.336 8.217 0.119 18053 10679 1 16 . 1 1 132 132 VAL N N 562 121.332 121.332 124.582 -3.250 18053 10680 1 16 . 1 1 132 132 VAL HA H 562 4.035 4.035 3.996 0.039 18053 10681 1 16 . 1 1 132 132 VAL C C 562 176.066 176.066 174.960 1.106 18053 10682 1 16 . 1 1 132 132 VAL CA C 562 62.446 62.446 61.853 0.593 18053 10683 1 16 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.060 1.334 18053 10684 1 16 . 1 1 132 132 VAL H H 562 7.982 7.982 8.406 -0.424 18053 10685 1 16 . 1 1 133 133 MET N N 563 124.022 124.022 124.792 -0.770 18053 10686 1 16 . 1 1 133 133 MET HA H 563 4.385 4.385 4.497 -0.112 18053 10687 1 16 . 1 1 133 133 MET C C 563 176.039 176.039 176.262 -0.223 18053 10688 1 16 . 1 1 133 133 MET CA C 563 55.350 55.350 55.510 -0.160 18053 10689 1 16 . 1 1 133 133 MET CB C 563 32.503 32.503 31.123 1.380 18053 10690 1 16 . 1 1 133 133 MET H H 563 8.295 8.295 7.915 0.380 18053 10691 1 16 . 1 1 134 134 ARG N N 564 122.677 122.677 123.191 -0.514 18053 10692 1 16 . 1 1 134 134 ARG HA H 564 4.262 4.262 3.915 0.347 18053 10693 1 16 . 1 1 134 134 ARG C C 564 176.298 176.298 176.984 -0.686 18053 10694 1 16 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.974 -0.887 18053 10695 1 16 . 1 1 134 134 ARG CB C 564 30.702 30.702 29.421 1.281 18053 10696 1 16 . 1 1 134 134 ARG H H 564 8.295 8.295 8.693 -0.398 18053 10697 1 16 . 1 1 135 135 GLU N N 565 121.945 121.945 116.570 5.375 18053 10698 1 16 . 1 1 135 135 GLU HA H 565 4.160 4.160 3.827 0.333 18053 10699 1 16 . 1 1 135 135 GLU C C 565 176.080 176.080 175.782 0.298 18053 10700 1 16 . 1 1 135 135 GLU CA C 565 56.906 56.906 58.200 -1.294 18053 10701 1 16 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.946 0.828 18053 10702 1 16 . 1 1 135 135 GLU H H 565 8.470 8.470 8.792 -0.322 18053 10703 1 16 . 1 1 136 136 ASN N N 566 118.761 118.761 121.114 -2.353 18053 10704 1 16 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.594 0.023 18053 10705 1 16 . 1 1 136 136 ASN C C 566 175.315 175.315 176.104 -0.789 18053 10706 1 16 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.643 -0.450 18053 10707 1 16 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.638 0.198 18053 10708 1 16 . 1 1 136 136 ASN H H 566 8.341 8.341 8.144 0.197 18053 10709 1 16 . 1 1 137 137 GLU N N 567 121.349 121.349 126.924 -5.575 18053 10710 1 16 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.207 -0.055 18053 10711 1 16 . 1 1 137 137 GLU C C 567 176.243 176.243 176.180 0.063 18053 10712 1 16 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.214 -0.308 18053 10713 1 16 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.317 -0.325 18053 10714 1 16 . 1 1 137 137 GLU H H 567 8.349 8.349 8.430 -0.081 18053 10715 1 16 . 1 1 138 138 ASN N N 568 118.761 118.761 117.146 1.615 18053 10716 1 16 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.512 0.200 18053 10717 1 16 . 1 1 138 138 ASN C C 568 174.551 174.551 174.271 0.280 18053 10718 1 16 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.690 -0.497 18053 10719 1 16 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.693 0.634 18053 10720 1 16 . 1 1 138 138 ASN H H 568 8.397 8.397 8.269 0.128 18053 10721 1 17 . 1 1 20 20 ALA N N 450 125.180 125.180 128.071 -2.891 18053 10722 1 17 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.338 0.368 18053 10723 1 17 . 1 1 20 20 ALA C C 450 177.226 177.226 177.865 -0.639 18053 10724 1 17 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.891 0.866 18053 10725 1 17 . 1 1 20 20 ALA CB C 450 20.411 20.411 19.140 1.271 18053 10726 1 17 . 1 1 20 20 ALA H H 450 8.484 8.484 8.562 -0.078 18053 10727 1 17 . 1 1 21 21 SER N N 451 115.714 115.714 121.632 -5.918 18053 10728 1 17 . 1 1 21 21 SER HA H 451 4.513 4.513 4.476 0.036 18053 10729 1 17 . 1 1 21 21 SER C C 451 174.742 174.742 175.504 -0.762 18053 10730 1 17 . 1 1 21 21 SER CA C 451 58.516 58.516 58.199 0.317 18053 10731 1 17 . 1 1 21 21 SER CB C 451 64.159 64.159 61.515 2.644 18053 10732 1 17 . 1 1 21 21 SER H H 451 8.487 8.487 8.306 0.181 18053 10733 1 17 . 1 1 22 22 GLY N N 452 111.509 111.509 114.180 -2.671 18053 10734 1 17 . 1 1 22 22 GLY C C 452 174.401 174.401 174.271 0.130 18053 10735 1 17 . 1 1 22 22 GLY CA C 452 45.059 45.059 46.777 -1.718 18053 10736 1 17 . 1 1 22 22 GLY H H 452 8.198 8.198 8.445 -0.247 18053 10737 1 17 . 1 1 23 23 SER N N 453 116.191 116.191 113.724 2.467 18053 10738 1 17 . 1 1 23 23 SER HA H 453 4.364 4.364 4.530 -0.166 18053 10739 1 17 . 1 1 23 23 SER C C 453 173.432 173.432 173.250 0.182 18053 10740 1 17 . 1 1 23 23 SER CA C 453 59.744 59.744 58.567 1.177 18053 10741 1 17 . 1 1 23 23 SER CB C 453 64.335 64.335 64.804 -0.469 18053 10742 1 17 . 1 1 23 23 SER H H 453 8.494 8.494 8.141 0.353 18053 10743 1 17 . 1 1 24 24 VAL N N 454 121.656 121.656 123.415 -1.759 18053 10744 1 17 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.410 0.625 18053 10745 1 17 . 1 1 24 24 VAL C C 454 174.606 174.606 175.067 -0.461 18053 10746 1 17 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.697 -0.642 18053 10747 1 17 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.329 -0.826 18053 10748 1 17 . 1 1 24 24 VAL H H 454 7.830 7.830 7.764 0.066 18053 10749 1 17 . 1 1 25 25 SER N N 455 119.323 119.323 114.945 4.378 18053 10750 1 17 . 1 1 25 25 SER HA H 455 4.672 4.672 4.871 -0.199 18053 10751 1 17 . 1 1 25 25 SER C C 455 174.426 174.426 172.967 1.459 18053 10752 1 17 . 1 1 25 25 SER CA C 455 55.268 55.268 56.543 -1.275 18053 10753 1 17 . 1 1 25 25 SER CB C 455 65.162 65.162 64.956 0.206 18053 10754 1 17 . 1 1 25 25 SER H H 455 9.065 9.065 8.543 0.522 18053 10755 1 17 . 1 1 26 26 ILE N N 456 119.468 119.468 126.125 -6.657 18053 10756 1 17 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.164 0.016 18053 10757 1 17 . 1 1 26 26 ILE C C 456 175.506 175.506 175.752 -0.246 18053 10758 1 17 . 1 1 26 26 ILE CA C 456 61.328 61.328 62.307 -0.979 18053 10759 1 17 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.820 1.142 18053 10760 1 17 . 1 1 26 26 ILE H H 456 8.295 8.295 8.790 -0.495 18053 10761 1 17 . 1 1 27 27 GLU N N 457 129.726 129.726 129.313 0.413 18053 10762 1 17 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.198 0.030 18053 10763 1 17 . 1 1 27 27 GLU C C 457 175.179 175.179 176.484 -1.305 18053 10764 1 17 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.999 -2.567 18053 10765 1 17 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.658 -0.516 18053 10766 1 17 . 1 1 27 27 GLU H H 457 8.393 8.393 8.290 0.103 18053 10767 1 17 . 1 1 28 28 GLU N N 458 117.076 117.076 116.877 0.199 18053 10768 1 17 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.556 -0.388 18053 10769 1 17 . 1 1 28 28 GLU C C 458 174.701 174.701 174.505 0.196 18053 10770 1 17 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.116 1.790 18053 10771 1 17 . 1 1 28 28 GLU CB C 458 31.848 31.848 33.353 -1.505 18053 10772 1 17 . 1 1 28 28 GLU H H 458 7.489 7.489 8.007 -0.518 18053 10773 1 17 . 1 1 29 29 ILE N N 459 122.183 122.183 119.931 2.252 18053 10774 1 17 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.789 -0.025 18053 10775 1 17 . 1 1 29 29 ILE C C 459 174.169 174.169 174.413 -0.244 18053 10776 1 17 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.495 0.031 18053 10777 1 17 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.501 -1.192 18053 10778 1 17 . 1 1 29 29 ILE H H 459 8.126 8.126 8.300 -0.174 18053 10779 1 17 . 1 1 30 30 ASP N N 460 123.205 123.205 124.255 -1.050 18053 10780 1 17 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.538 -0.355 18053 10781 1 17 . 1 1 30 30 ASP C C 460 178.318 178.318 176.556 1.762 18053 10782 1 17 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.230 0.700 18053 10783 1 17 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.562 0.245 18053 10784 1 17 . 1 1 30 30 ASP H H 460 6.704 6.704 7.472 -0.768 18053 10785 1 17 . 1 1 31 31 LEU N N 461 128.551 128.551 115.926 12.625 18053 10786 1 17 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.135 -0.071 18053 10787 1 17 . 1 1 31 31 LEU C C 461 177.513 177.513 177.791 -0.278 18053 10788 1 17 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.803 0.321 18053 10789 1 17 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.632 -0.395 18053 10790 1 17 . 1 1 31 31 LEU H H 461 9.012 9.012 8.412 0.600 18053 10791 1 17 . 1 1 32 32 GLU N N 462 115.101 115.101 117.305 -2.204 18053 10792 1 17 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.315 -0.032 18053 10793 1 17 . 1 1 32 32 GLU C C 462 177.062 177.062 176.803 0.259 18053 10794 1 17 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.406 -1.647 18053 10795 1 17 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.459 -0.890 18053 10796 1 17 . 1 1 32 32 GLU H H 462 7.588 7.588 7.858 -0.270 18053 10797 1 17 . 1 1 33 33 GLY N N 463 106.299 106.299 106.301 -0.002 18053 10798 1 17 . 1 1 33 33 GLY C C 463 174.824 174.824 175.063 -0.239 18053 10799 1 17 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.139 1.667 18053 10800 1 17 . 1 1 33 33 GLY H H 463 7.372 7.372 7.831 -0.459 18053 10801 1 17 . 1 1 34 34 LYS N N 464 118.744 118.744 119.873 -1.129 18053 10802 1 17 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.569 -0.007 18053 10803 1 17 . 1 1 34 34 LYS C C 464 177.076 177.076 175.238 1.838 18053 10804 1 17 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.326 2.637 18053 10805 1 17 . 1 1 34 34 LYS CB C 464 33.111 33.111 34.152 -1.041 18053 10806 1 17 . 1 1 34 34 LYS H H 464 9.547 9.547 8.406 1.141 18053 10807 1 17 . 1 1 35 35 PHE N N 465 109.125 109.125 114.619 -5.494 18053 10808 1 17 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.321 0.193 18053 10809 1 17 . 1 1 35 35 PHE C C 465 174.183 174.183 173.031 1.152 18053 10810 1 17 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.747 0.885 18053 10811 1 17 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.262 -0.663 18053 10812 1 17 . 1 1 35 35 PHE H H 465 6.740 6.740 8.110 -1.370 18053 10813 1 17 . 1 1 36 36 VAL N N 466 119.579 119.579 119.925 -0.346 18053 10814 1 17 . 1 1 36 36 VAL HA H 466 3.709 3.709 3.958 -0.249 18053 10815 1 17 . 1 1 36 36 VAL C C 466 172.668 172.668 174.098 -1.430 18053 10816 1 17 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.148 1.544 18053 10817 1 17 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.448 1.767 18053 10818 1 17 . 1 1 36 36 VAL H H 466 7.628 7.628 8.565 -0.937 18053 10819 1 17 . 1 1 37 37 GLN N N 467 126.831 126.831 128.413 -1.582 18053 10820 1 17 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.780 0.669 18053 10821 1 17 . 1 1 37 37 GLN C C 467 174.797 174.797 174.124 0.673 18053 10822 1 17 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.784 -0.663 18053 10823 1 17 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.440 5.183 18053 10824 1 17 . 1 1 37 37 GLN H H 467 8.392 8.392 8.546 -0.154 18053 10825 1 17 . 1 1 38 38 LEU N N 468 123.018 123.018 129.261 -6.243 18053 10826 1 17 . 1 1 38 38 LEU HA H 468 5.422 5.422 4.799 0.623 18053 10827 1 17 . 1 1 38 38 LEU C C 468 175.588 175.588 174.313 1.275 18053 10828 1 17 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.441 -1.739 18053 10829 1 17 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.723 -0.677 18053 10830 1 17 . 1 1 38 38 LEU H H 468 9.103 9.103 8.913 0.190 18053 10831 1 17 . 1 1 39 39 LYS N N 469 118.983 118.983 126.794 -7.811 18053 10832 1 17 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.887 -0.035 18053 10833 1 17 . 1 1 39 39 LYS C C 469 173.309 173.309 174.764 -1.455 18053 10834 1 17 . 1 1 39 39 LYS CA C 469 54.994 54.994 53.879 1.115 18053 10835 1 17 . 1 1 39 39 LYS CB C 469 38.246 38.246 35.411 2.835 18053 10836 1 17 . 1 1 39 39 LYS H H 469 8.496 8.496 8.715 -0.219 18053 10837 1 17 . 1 1 40 40 ASN N N 470 121.758 121.758 124.784 -3.026 18053 10838 1 17 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.629 0.159 18053 10839 1 17 . 1 1 40 40 ASN C C 470 174.496 174.496 175.084 -0.588 18053 10840 1 17 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.612 -1.493 18053 10841 1 17 . 1 1 40 40 ASN CB C 470 37.559 37.559 38.934 -1.375 18053 10842 1 17 . 1 1 40 40 ASN H H 470 8.283 8.283 8.751 -0.468 18053 10843 1 17 . 1 1 41 41 ASN N N 471 122.422 122.422 124.262 -1.840 18053 10844 1 17 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.725 -0.137 18053 10845 1 17 . 1 1 41 41 ASN C C 471 174.810 174.810 175.278 -0.468 18053 10846 1 17 . 1 1 41 41 ASN CA C 471 53.985 53.985 54.222 -0.237 18053 10847 1 17 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.132 0.468 18053 10848 1 17 . 1 1 41 41 ASN H H 471 8.681 8.681 8.420 0.261 18053 10849 1 17 . 1 1 42 42 SER N N 472 116.446 116.446 116.745 -0.299 18053 10850 1 17 . 1 1 42 42 SER HA H 472 4.719 4.719 4.464 0.255 18053 10851 1 17 . 1 1 42 42 SER C C 472 172.804 172.804 174.156 -1.352 18053 10852 1 17 . 1 1 42 42 SER CA C 472 57.288 57.288 58.976 -1.688 18053 10853 1 17 . 1 1 42 42 SER CB C 472 66.241 66.241 63.992 2.248 18053 10854 1 17 . 1 1 42 42 SER H H 472 8.370 8.370 7.709 0.661 18053 10855 1 17 . 1 1 43 43 ASP N N 473 117.706 117.706 120.720 -3.014 18053 10856 1 17 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.566 -0.092 18053 10857 1 17 . 1 1 43 43 ASP C C 473 175.343 175.343 175.177 0.166 18053 10858 1 17 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.410 -1.889 18053 10859 1 17 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.822 -0.500 18053 10860 1 17 . 1 1 43 43 ASP H H 473 8.254 8.254 8.686 -0.432 18053 10861 1 17 . 1 1 44 44 LYS N N 474 120.209 120.209 117.878 2.331 18053 10862 1 17 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.532 0.037 18053 10863 1 17 . 1 1 44 44 LYS C C 474 175.397 175.397 174.545 0.852 18053 10864 1 17 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.305 -0.293 18053 10865 1 17 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.613 0.770 18053 10866 1 17 . 1 1 44 44 LYS H H 474 8.305 8.305 7.288 1.017 18053 10867 1 17 . 1 1 45 45 ASP N N 475 124.993 124.993 120.598 4.395 18053 10868 1 17 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.623 -0.648 18053 10869 1 17 . 1 1 45 45 ASP C C 475 174.810 174.810 176.102 -1.292 18053 10870 1 17 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.401 0.593 18053 10871 1 17 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.565 -0.201 18053 10872 1 17 . 1 1 45 45 ASP H H 475 8.722 8.722 8.422 0.300 18053 10873 1 17 . 1 1 46 46 GLN N N 476 120.549 120.549 125.374 -4.825 18053 10874 1 17 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.393 0.043 18053 10875 1 17 . 1 1 46 46 GLN C C 476 174.019 174.019 174.980 -0.961 18053 10876 1 17 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.580 -1.442 18053 10877 1 17 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.721 1.745 18053 10878 1 17 . 1 1 46 46 GLN H H 476 7.878 7.878 8.234 -0.356 18053 10879 1 17 . 1 1 47 47 SER N N 477 121.537 121.537 121.134 0.403 18053 10880 1 17 . 1 1 47 47 SER HA H 477 4.229 4.229 4.257 -0.028 18053 10881 1 17 . 1 1 47 47 SER C C 477 174.565 174.565 173.921 0.644 18053 10882 1 17 . 1 1 47 47 SER CA C 477 58.706 58.706 58.670 0.036 18053 10883 1 17 . 1 1 47 47 SER CB C 477 62.965 62.965 62.829 0.136 18053 10884 1 17 . 1 1 47 47 SER H H 477 8.748 8.748 8.651 0.097 18053 10885 1 17 . 1 1 48 48 LEU N N 478 127.751 127.751 125.651 2.100 18053 10886 1 17 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.177 -1.546 18053 10887 1 17 . 1 1 48 48 LEU C C 478 176.789 176.789 178.263 -1.474 18053 10888 1 17 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.067 -1.965 18053 10889 1 17 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.765 -1.422 18053 10890 1 17 . 1 1 48 48 LEU H H 478 7.856 7.856 7.635 0.221 18053 10891 1 17 . 1 1 49 49 GLY N N 479 107.525 107.525 105.598 1.927 18053 10892 1 17 . 1 1 49 49 GLY C C 479 176.653 176.653 175.268 1.385 18053 10893 1 17 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.870 2.192 18053 10894 1 17 . 1 1 49 49 GLY H H 479 7.728 7.728 8.652 -0.924 18053 10895 1 17 . 1 1 50 50 ASN N N 480 117.059 117.059 119.753 -2.694 18053 10896 1 17 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.594 -0.339 18053 10897 1 17 . 1 1 50 50 ASN C C 480 174.961 174.961 175.632 -0.671 18053 10898 1 17 . 1 1 50 50 ASN CA C 480 56.360 56.360 53.822 2.538 18053 10899 1 17 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.787 -1.371 18053 10900 1 17 . 1 1 50 50 ASN H H 480 7.552 7.552 8.500 -0.948 18053 10901 1 17 . 1 1 51 51 TRP N N 481 122.166 122.166 119.405 2.761 18053 10902 1 17 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.797 -0.320 18053 10903 1 17 . 1 1 51 51 TRP C C 481 175.575 175.575 175.619 -0.044 18053 10904 1 17 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.407 0.355 18053 10905 1 17 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.779 -1.738 18053 10906 1 17 . 1 1 51 51 TRP H H 481 8.914 8.914 7.893 1.021 18053 10907 1 17 . 1 1 52 52 ARG N N 482 116.480 116.480 118.229 -1.749 18053 10908 1 17 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.418 0.550 18053 10909 1 17 . 1 1 52 52 ARG C C 482 175.807 175.807 174.927 0.880 18053 10910 1 17 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.861 -0.740 18053 10911 1 17 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.058 1.066 18053 10912 1 17 . 1 1 52 52 ARG H H 482 9.147 9.147 9.071 0.076 18053 10913 1 17 . 1 1 53 53 ILE N N 483 119.579 119.579 125.055 -5.476 18053 10914 1 17 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.889 0.096 18053 10915 1 17 . 1 1 53 53 ILE C C 483 175.670 175.670 175.787 -0.117 18053 10916 1 17 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.869 -0.469 18053 10917 1 17 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.486 1.742 18053 10918 1 17 . 1 1 53 53 ILE H H 483 9.000 9.000 8.769 0.231 18053 10919 1 17 . 1 1 54 54 LYS N N 484 124.737 124.737 128.375 -3.638 18053 10920 1 17 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.145 0.318 18053 10921 1 17 . 1 1 54 54 LYS C C 484 175.575 175.575 176.249 -0.674 18053 10922 1 17 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.422 -1.810 18053 10923 1 17 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.873 1.168 18053 10924 1 17 . 1 1 54 54 LYS H H 484 9.678 9.678 8.831 0.847 18053 10925 1 17 . 1 1 55 55 ARG N N 485 124.090 124.090 121.492 2.598 18053 10926 1 17 . 1 1 55 55 ARG HA H 485 5.525 5.525 5.100 0.425 18053 10927 1 17 . 1 1 55 55 ARG C C 485 174.155 174.155 174.342 -0.187 18053 10928 1 17 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.303 -1.400 18053 10929 1 17 . 1 1 55 55 ARG H H 485 9.314 9.314 8.920 0.394 18053 10930 1 17 . 1 1 56 56 GLN N N 486 126.576 126.576 125.853 0.723 18053 10931 1 17 . 1 1 56 56 GLN HA H 486 4.842 4.842 5.542 -0.700 18053 10932 1 17 . 1 1 56 56 GLN C C 486 174.991 174.991 174.606 0.385 18053 10933 1 17 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.382 0.449 18053 10934 1 17 . 1 1 56 56 GLN CB C 486 31.465 31.465 31.617 -0.152 18053 10935 1 17 . 1 1 56 56 GLN H H 486 8.831 8.831 8.572 0.259 18053 10936 1 17 . 1 1 57 57 VAL N N 487 126.712 126.712 124.702 2.010 18053 10937 1 17 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.438 -0.172 18053 10938 1 17 . 1 1 57 57 VAL C C 487 175.916 175.916 178.084 -2.168 18053 10939 1 17 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.464 0.356 18053 10940 1 17 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.446 0.357 18053 10941 1 17 . 1 1 57 57 VAL H H 487 8.786 8.786 8.860 -0.074 18053 10942 1 17 . 1 1 58 58 LEU N N 488 127.274 127.274 124.502 2.772 18053 10943 1 17 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.151 -0.066 18053 10944 1 17 . 1 1 58 58 LEU C C 488 177.158 177.158 178.159 -1.001 18053 10945 1 17 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.024 -1.118 18053 10946 1 17 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.425 -0.051 18053 10947 1 17 . 1 1 58 58 LEU H H 488 8.316 8.316 8.491 -0.175 18053 10948 1 17 . 1 1 59 59 GLU N N 489 119.647 119.647 119.431 0.216 18053 10949 1 17 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.184 -0.072 18053 10950 1 17 . 1 1 59 59 GLU C C 489 176.230 176.230 177.514 -1.284 18053 10951 1 17 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.823 0.192 18053 10952 1 17 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.343 -1.194 18053 10953 1 17 . 1 1 59 59 GLU H H 489 8.636 8.636 8.245 0.391 18053 10954 1 17 . 1 1 60 60 GLY N N 490 108.819 108.819 107.103 1.716 18053 10955 1 17 . 1 1 60 60 GLY C C 490 173.568 173.568 173.660 -0.092 18053 10956 1 17 . 1 1 60 60 GLY CA C 490 44.773 44.773 45.009 -0.236 18053 10957 1 17 . 1 1 60 60 GLY H H 490 8.160 8.160 7.905 0.255 18053 10958 1 17 . 1 1 61 61 GLU N N 491 121.009 121.009 121.432 -0.423 18053 10959 1 17 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.315 0.008 18053 10960 1 17 . 1 1 61 61 GLU C C 491 175.725 175.725 175.330 0.395 18053 10961 1 17 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.082 0.114 18053 10962 1 17 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.765 1.101 18053 10963 1 17 . 1 1 61 61 GLU H H 491 8.320 8.320 8.198 0.122 18053 10964 1 17 . 1 1 62 62 GLU N N 492 123.426 123.426 124.063 -0.637 18053 10965 1 17 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.277 -0.223 18053 10966 1 17 . 1 1 62 62 GLU C C 492 175.930 175.930 175.903 0.027 18053 10967 1 17 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.115 0.535 18053 10968 1 17 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.797 1.515 18053 10969 1 17 . 1 1 62 62 GLU H H 492 8.594 8.594 8.675 -0.081 18053 10970 1 17 . 1 1 63 63 ILE N N 493 119.732 119.732 118.344 1.388 18053 10971 1 17 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.847 -0.059 18053 10972 1 17 . 1 1 63 63 ILE C C 493 174.647 174.647 173.777 0.870 18053 10973 1 17 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.263 0.918 18053 10974 1 17 . 1 1 63 63 ILE CB C 493 41.183 41.183 42.376 -1.193 18053 10975 1 17 . 1 1 63 63 ILE H H 493 8.523 8.523 8.401 0.122 18053 10976 1 17 . 1 1 64 64 ALA N N 494 122.166 122.166 122.610 -0.444 18053 10977 1 17 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.033 0.488 18053 10978 1 17 . 1 1 64 64 ALA C C 494 174.606 174.606 175.601 -0.995 18053 10979 1 17 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.380 0.148 18053 10980 1 17 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.897 0.342 18053 10981 1 17 . 1 1 64 64 ALA H H 494 8.741 8.741 8.192 0.549 18053 10982 1 17 . 1 1 65 65 TYR N N 495 126.729 126.729 125.213 1.516 18053 10983 1 17 . 1 1 65 65 TYR HA H 495 3.094 3.094 2.983 0.111 18053 10984 1 17 . 1 1 65 65 TYR C C 495 173.036 173.036 173.765 -0.729 18053 10985 1 17 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.146 0.759 18053 10986 1 17 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.283 1.986 18053 10987 1 17 . 1 1 65 65 TYR H H 495 8.462 8.462 8.256 0.206 18053 10988 1 17 . 1 1 66 66 LYS N N 496 128.108 128.108 127.418 0.690 18053 10989 1 17 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.250 0.572 18053 10990 1 17 . 1 1 66 66 LYS C C 496 174.906 174.906 174.923 -0.017 18053 10991 1 17 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.989 -1.250 18053 10992 1 17 . 1 1 66 66 LYS CB C 496 34.782 34.782 32.591 2.191 18053 10993 1 17 . 1 1 66 66 LYS H H 496 7.010 7.010 7.259 -0.249 18053 10994 1 17 . 1 1 67 67 PHE N N 497 125.299 125.299 124.015 1.284 18053 10995 1 17 . 1 1 67 67 PHE HA H 497 3.932 3.932 3.935 -0.003 18053 10996 1 17 . 1 1 67 67 PHE C C 497 177.990 177.990 175.969 2.021 18053 10997 1 17 . 1 1 67 67 PHE CA C 497 59.007 59.007 59.039 -0.032 18053 10998 1 17 . 1 1 67 67 PHE CB C 497 40.981 40.981 39.821 1.160 18053 10999 1 17 . 1 1 67 67 PHE H H 497 8.509 8.509 8.216 0.293 18053 11000 1 17 . 1 1 68 68 THR N N 498 116.191 116.191 112.886 3.305 18053 11001 1 17 . 1 1 68 68 THR HA H 498 4.417 4.417 4.688 -0.271 18053 11002 1 17 . 1 1 68 68 THR CA C 498 60.855 60.855 59.560 1.295 18053 11003 1 17 . 1 1 68 68 THR CB C 498 68.019 68.019 69.158 -1.139 18053 11004 1 17 . 1 1 68 68 THR H H 498 8.688 8.688 8.616 0.072 18053 11005 1 17 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.472 -0.524 18053 11006 1 17 . 1 1 69 69 PRO C C 499 177.444 177.444 176.924 0.520 18053 11007 1 17 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.855 1.222 18053 11008 1 17 . 1 1 69 69 PRO CB C 499 32.776 32.776 32.110 0.666 18053 11009 1 17 . 1 1 70 70 LYS N N 500 113.552 113.552 116.234 -2.682 18053 11010 1 17 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.167 0.218 18053 11011 1 17 . 1 1 70 70 LYS C C 500 176.325 176.325 176.743 -0.418 18053 11012 1 17 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.832 -1.837 18053 11013 1 17 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.721 0.072 18053 11014 1 17 . 1 1 70 70 LYS H H 500 8.016 8.016 7.913 0.103 18053 11015 1 17 . 1 1 71 71 TYR N N 501 121.860 121.860 121.855 0.005 18053 11016 1 17 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.390 -0.660 18053 11017 1 17 . 1 1 71 71 TYR C C 501 174.838 174.838 173.962 0.876 18053 11018 1 17 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.278 3.032 18053 11019 1 17 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.106 -0.325 18053 11020 1 17 . 1 1 71 71 TYR H H 501 7.460 7.460 7.777 -0.317 18053 11021 1 17 . 1 1 72 72 ILE N N 502 129.487 129.487 127.657 1.830 18053 11022 1 17 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.294 -0.366 18053 11023 1 17 . 1 1 72 72 ILE C C 502 172.968 172.968 174.211 -1.243 18053 11024 1 17 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.468 -0.160 18053 11025 1 17 . 1 1 72 72 ILE CB C 502 40.910 40.910 39.714 1.196 18053 11026 1 17 . 1 1 72 72 ILE H H 502 7.168 7.168 7.922 -0.754 18053 11027 1 17 . 1 1 73 73 LEU N N 503 128.278 128.278 129.398 -1.120 18053 11028 1 17 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.243 0.250 18053 11029 1 17 . 1 1 73 73 LEU C C 503 175.834 175.834 175.646 0.188 18053 11030 1 17 . 1 1 73 73 LEU CA C 503 51.965 51.965 54.274 -2.309 18053 11031 1 17 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.230 -0.682 18053 11032 1 17 . 1 1 73 73 LEU H H 503 8.483 8.483 8.287 0.196 18053 11033 1 17 . 1 1 74 74 ARG N N 504 129.589 129.589 123.767 5.822 18053 11034 1 17 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.428 -0.685 18053 11035 1 17 . 1 1 74 74 ARG C C 504 175.233 175.233 175.903 -0.670 18053 11036 1 17 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.511 1.340 18053 11037 1 17 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.674 -0.382 18053 11038 1 17 . 1 1 74 74 ARG H H 504 8.673 8.673 8.418 0.255 18053 11039 1 17 . 1 1 75 75 ALA N N 505 123.205 123.205 124.752 -1.547 18053 11040 1 17 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.207 -0.685 18053 11041 1 17 . 1 1 75 75 ALA C C 505 178.441 178.441 178.075 0.366 18053 11042 1 17 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.013 0.781 18053 11043 1 17 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.252 0.658 18053 11044 1 17 . 1 1 75 75 ALA H H 505 8.564 8.564 8.139 0.425 18053 11045 1 17 . 1 1 76 76 GLY N N 506 112.241 112.241 113.163 -0.922 18053 11046 1 17 . 1 1 76 76 GLY C C 506 174.278 174.278 174.268 0.010 18053 11047 1 17 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.209 1.516 18053 11048 1 17 . 1 1 76 76 GLY H H 506 7.381 7.381 8.583 -1.202 18053 11049 1 17 . 1 1 77 77 GLN N N 507 117.382 117.382 118.665 -1.283 18053 11050 1 17 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.713 -0.349 18053 11051 1 17 . 1 1 77 77 GLN C C 507 173.937 173.937 174.477 -0.540 18053 11052 1 17 . 1 1 77 77 GLN CA C 507 54.558 54.558 53.866 0.692 18053 11053 1 17 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.616 -0.543 18053 11054 1 17 . 1 1 77 77 GLN H H 507 7.996 7.996 7.748 0.248 18053 11055 1 17 . 1 1 78 78 MET N N 508 116.957 116.957 115.142 1.815 18053 11056 1 17 . 1 1 78 78 MET HA H 508 5.388 5.388 5.233 0.155 18053 11057 1 17 . 1 1 78 78 MET C C 508 175.807 175.807 174.537 1.270 18053 11058 1 17 . 1 1 78 78 MET CA C 508 54.067 54.067 53.790 0.277 18053 11059 1 17 . 1 1 78 78 MET CB C 508 37.198 37.198 36.210 0.988 18053 11060 1 17 . 1 1 78 78 MET H H 508 8.092 8.092 8.303 -0.211 18053 11061 1 17 . 1 1 79 79 VAL N N 509 119.340 119.340 120.710 -1.370 18053 11062 1 17 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.746 0.210 18053 11063 1 17 . 1 1 79 79 VAL C C 509 172.217 172.217 174.598 -2.381 18053 11064 1 17 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.117 -0.646 18053 11065 1 17 . 1 1 79 79 VAL CB C 509 33.676 33.676 34.445 -0.769 18053 11066 1 17 . 1 1 79 79 VAL H H 509 8.534 8.534 8.964 -0.430 18053 11067 1 17 . 1 1 80 80 THR N N 510 124.533 124.533 126.144 -1.611 18053 11068 1 17 . 1 1 80 80 THR HA H 510 4.586 4.586 4.834 -0.248 18053 11069 1 17 . 1 1 80 80 THR C C 510 172.215 172.215 174.197 -1.982 18053 11070 1 17 . 1 1 80 80 THR CA C 510 62.119 62.119 62.143 -0.024 18053 11071 1 17 . 1 1 80 80 THR CB C 510 69.407 69.407 68.722 0.684 18053 11072 1 17 . 1 1 80 80 THR H H 510 8.301 8.301 8.979 -0.678 18053 11073 1 17 . 1 1 81 81 VAL N N 511 127.002 127.002 127.943 -0.941 18053 11074 1 17 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.324 0.272 18053 11075 1 17 . 1 1 81 81 VAL C C 511 176.667 176.667 175.922 0.745 18053 11076 1 17 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.245 -0.862 18053 11077 1 17 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.246 -0.301 18053 11078 1 17 . 1 1 81 81 VAL H H 511 8.796 8.796 8.678 0.118 18053 11079 1 17 . 1 1 82 82 TRP N N 512 131.479 131.479 129.258 2.221 18053 11080 1 17 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.354 -0.016 18053 11081 1 17 . 1 1 82 82 TRP C C 512 176.885 176.885 175.906 0.979 18053 11082 1 17 . 1 1 82 82 TRP CA C 512 56.442 56.442 57.504 -1.062 18053 11083 1 17 . 1 1 82 82 TRP CB C 512 30.701 30.701 30.768 -0.067 18053 11084 1 17 . 1 1 82 82 TRP H H 512 9.924 9.924 9.358 0.566 18053 11085 1 17 . 1 1 83 83 ALA N N 513 123.954 123.954 121.036 2.918 18053 11086 1 17 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.778 -0.470 18053 11087 1 17 . 1 1 83 83 ALA C C 513 178.140 178.140 178.437 -0.297 18053 11088 1 17 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.635 1.576 18053 11089 1 17 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.385 -1.640 18053 11090 1 17 . 1 1 83 83 ALA H H 513 9.048 9.048 8.857 0.191 18053 11091 1 17 . 1 1 84 84 ALA N N 514 125.146 125.146 122.860 2.286 18053 11092 1 17 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.085 -0.134 18053 11093 1 17 . 1 1 84 84 ALA C C 514 179.519 179.519 178.972 0.547 18053 11094 1 17 . 1 1 84 84 ALA CA C 514 54.804 54.804 55.011 -0.207 18053 11095 1 17 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.949 -0.367 18053 11096 1 17 . 1 1 84 84 ALA H H 514 8.341 8.341 8.248 0.093 18053 11097 1 17 . 1 1 85 85 GLY N N 515 103.388 103.388 103.963 -0.575 18053 11098 1 17 . 1 1 85 85 GLY C C 515 174.674 174.674 174.498 0.176 18053 11099 1 17 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.648 1.230 18053 11100 1 17 . 1 1 85 85 GLY H H 515 7.996 7.996 7.926 0.070 18053 11101 1 17 . 1 1 86 86 ALA N N 516 120.140 120.140 123.169 -3.029 18053 11102 1 17 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.561 -0.217 18053 11103 1 17 . 1 1 86 86 ALA C C 516 177.690 177.690 177.973 -0.283 18053 11104 1 17 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.437 0.702 18053 11105 1 17 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.350 1.197 18053 11106 1 17 . 1 1 86 86 ALA H H 516 7.474 7.474 7.402 0.072 18053 11107 1 17 . 1 1 87 87 GLY N N 517 105.720 105.720 107.899 -2.179 18053 11108 1 17 . 1 1 87 87 GLY C C 517 173.650 173.650 174.127 -0.477 18053 11109 1 17 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.328 0.686 18053 11110 1 17 . 1 1 87 87 GLY H H 517 7.779 7.779 8.040 -0.261 18053 11111 1 17 . 1 1 88 88 VAL N N 518 121.537 121.537 118.046 3.491 18053 11112 1 17 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.156 -0.571 18053 11113 1 17 . 1 1 88 88 VAL C C 518 174.851 174.851 174.769 0.082 18053 11114 1 17 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.602 0.672 18053 11115 1 17 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.157 0.219 18053 11116 1 17 . 1 1 88 88 VAL H H 518 7.499 7.499 7.707 -0.208 18053 11117 1 17 . 1 1 89 89 ALA N N 519 128.295 128.295 129.512 -1.217 18053 11118 1 17 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.332 -0.140 18053 11119 1 17 . 1 1 89 89 ALA C C 519 176.680 176.680 176.790 -0.110 18053 11120 1 17 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.768 -0.485 18053 11121 1 17 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.230 0.062 18053 11122 1 17 . 1 1 89 89 ALA H H 519 7.960 7.960 8.277 -0.317 18053 11123 1 17 . 1 1 90 90 HIS N N 520 122.643 122.643 124.487 -1.844 18053 11124 1 17 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.380 -0.347 18053 11125 1 17 . 1 1 90 90 HIS C C 520 175.793 175.793 174.345 1.448 18053 11126 1 17 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.321 2.333 18053 11127 1 17 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.745 2.540 18053 11128 1 17 . 1 1 90 90 HIS H H 520 8.394 8.394 8.884 -0.490 18053 11129 1 17 . 1 1 91 91 SER N N 521 121.247 121.247 123.511 -2.264 18053 11130 1 17 . 1 1 91 91 SER HA H 521 4.629 4.629 4.702 -0.073 18053 11131 1 17 . 1 1 91 91 SER CA C 521 55.843 55.843 55.961 -0.118 18053 11132 1 17 . 1 1 91 91 SER CB C 521 62.367 62.367 63.573 -1.206 18053 11133 1 17 . 1 1 91 91 SER H H 521 8.569 8.569 8.326 0.243 18053 11134 1 17 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.849 -0.847 18053 11135 1 17 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.390 -0.146 18053 11136 1 17 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.330 -0.399 18053 11137 1 17 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.732 -0.060 18053 11138 1 17 . 1 1 93 93 PRO C C 523 177.786 177.786 178.143 -0.357 18053 11139 1 17 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.910 0.093 18053 11140 1 17 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.283 2.622 18053 11141 1 17 . 1 1 94 94 SER N N 524 117.212 117.212 116.797 0.415 18053 11142 1 17 . 1 1 94 94 SER HA H 524 4.678 4.678 4.416 0.262 18053 11143 1 17 . 1 1 94 94 SER C C 524 174.851 174.851 174.374 0.477 18053 11144 1 17 . 1 1 94 94 SER CA C 524 61.874 61.874 60.718 1.156 18053 11145 1 17 . 1 1 94 94 SER CB C 524 64.057 64.057 63.662 0.395 18053 11146 1 17 . 1 1 94 94 SER H H 524 8.463 8.463 8.006 0.457 18053 11147 1 17 . 1 1 95 95 THR N N 525 121.588 121.588 119.310 2.278 18053 11148 1 17 . 1 1 95 95 THR HA H 525 4.859 4.859 4.980 -0.121 18053 11149 1 17 . 1 1 95 95 THR C C 525 172.094 172.094 173.368 -1.274 18053 11150 1 17 . 1 1 95 95 THR CA C 525 62.309 62.309 62.374 -0.065 18053 11151 1 17 . 1 1 95 95 THR CB C 525 70.281 70.281 69.087 1.194 18053 11152 1 17 . 1 1 95 95 THR H H 525 7.631 7.631 7.943 -0.312 18053 11153 1 17 . 1 1 96 96 LEU N N 526 127.274 127.274 129.888 -2.614 18053 11154 1 17 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.043 0.088 18053 11155 1 17 . 1 1 96 96 LEU C C 526 175.916 175.916 175.414 0.502 18053 11156 1 17 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.137 -2.062 18053 11157 1 17 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.275 -0.485 18053 11158 1 17 . 1 1 96 96 LEU H H 526 8.977 8.977 8.603 0.374 18053 11159 1 17 . 1 1 97 97 VAL N N 527 124.056 124.056 120.377 3.679 18053 11160 1 17 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.660 0.209 18053 11161 1 17 . 1 1 97 97 VAL C C 527 176.230 176.230 175.165 1.065 18053 11162 1 17 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.994 0.525 18053 11163 1 17 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.593 0.111 18053 11164 1 17 . 1 1 97 97 VAL H H 527 10.724 10.724 8.174 2.550 18053 11165 1 17 . 1 1 98 98 TRP N N 528 132.586 132.586 131.305 1.281 18053 11166 1 17 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.337 0.628 18053 11167 1 17 . 1 1 98 98 TRP C C 528 173.391 173.391 174.414 -1.023 18053 11168 1 17 . 1 1 98 98 TRP CA C 528 53.303 53.303 54.698 -1.395 18053 11169 1 17 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.239 0.006 18053 11170 1 17 . 1 1 98 98 TRP H H 528 9.400 9.400 8.965 0.435 18053 11171 1 17 . 1 1 99 99 LYS N N 529 126.644 126.644 128.845 -2.201 18053 11172 1 17 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.151 -0.312 18053 11173 1 17 . 1 1 99 99 LYS C C 529 177.581 177.581 176.956 0.625 18053 11174 1 17 . 1 1 99 99 LYS CA C 529 58.543 58.543 56.940 1.603 18053 11175 1 17 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.321 -0.145 18053 11176 1 17 . 1 1 99 99 LYS H H 529 8.153 8.153 7.968 0.185 18053 11177 1 17 . 1 1 100 100 GLY N N 530 110.385 110.385 113.886 -3.501 18053 11178 1 17 . 1 1 100 100 GLY C C 530 172.367 172.367 173.373 -1.006 18053 11179 1 17 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.640 0.638 18053 11180 1 17 . 1 1 100 100 GLY H H 530 8.363 8.363 8.541 -0.178 18053 11181 1 17 . 1 1 101 101 GLN N N 531 121.162 121.162 121.379 -0.217 18053 11182 1 17 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.342 -0.370 18053 11183 1 17 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.460 -0.840 18053 11184 1 17 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.989 -1.395 18053 11185 1 17 . 1 1 101 101 GLN H H 531 6.815 6.815 7.062 -0.247 18053 11186 1 17 . 1 1 102 102 SER N N 532 122.728 122.728 122.081 0.647 18053 11187 1 17 . 1 1 102 102 SER HA H 532 3.866 3.866 4.322 -0.456 18053 11188 1 17 . 1 1 102 102 SER C C 532 174.537 174.537 176.021 -1.484 18053 11189 1 17 . 1 1 102 102 SER CA C 532 61.983 61.983 60.940 1.043 18053 11190 1 17 . 1 1 102 102 SER CB C 532 62.802 62.802 63.111 -0.309 18053 11191 1 17 . 1 1 102 102 SER H H 532 8.662 8.662 8.751 -0.089 18053 11192 1 17 . 1 1 103 103 SER N N 533 110.811 110.811 116.842 -6.031 18053 11193 1 17 . 1 1 103 103 SER HA H 533 4.240 4.240 4.440 -0.200 18053 11194 1 17 . 1 1 103 103 SER C C 533 174.087 174.087 174.158 -0.071 18053 11195 1 17 . 1 1 103 103 SER CA C 533 56.633 56.633 59.717 -3.084 18053 11196 1 17 . 1 1 103 103 SER CB C 533 64.658 64.658 63.154 1.504 18053 11197 1 17 . 1 1 103 103 SER H H 533 7.134 7.134 7.799 -0.665 18053 11198 1 17 . 1 1 104 104 TRP N N 534 126.133 126.133 119.099 7.034 18053 11199 1 17 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.287 -0.189 18053 11200 1 17 . 1 1 104 104 TRP C C 534 176.066 176.066 175.914 0.152 18053 11201 1 17 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.330 2.797 18053 11202 1 17 . 1 1 104 104 TRP CB C 534 28.764 28.764 29.149 -0.385 18053 11203 1 17 . 1 1 104 104 TRP H H 534 9.764 9.764 8.039 1.725 18053 11204 1 17 . 1 1 105 105 GLY N N 535 105.907 105.907 104.849 1.058 18053 11205 1 17 . 1 1 105 105 GLY C C 535 172.217 172.217 173.745 -1.528 18053 11206 1 17 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.897 -0.657 18053 11207 1 17 . 1 1 105 105 GLY H H 535 8.095 8.095 8.317 -0.222 18053 11208 1 17 . 1 1 106 106 THR N N 536 111.253 111.253 112.265 -1.012 18053 11209 1 17 . 1 1 106 106 THR HA H 536 3.859 3.859 4.008 -0.149 18053 11210 1 17 . 1 1 106 106 THR C C 536 172.872 172.872 173.813 -0.941 18053 11211 1 17 . 1 1 106 106 THR CA C 536 59.635 59.635 61.120 -1.485 18053 11212 1 17 . 1 1 106 106 THR CB C 536 70.526 70.526 69.790 0.736 18053 11213 1 17 . 1 1 106 106 THR H H 536 7.913 7.913 7.566 0.347 18053 11214 1 17 . 1 1 107 107 GLY N N 537 107.712 107.712 109.174 -1.462 18053 11215 1 17 . 1 1 107 107 GLY C C 537 172.709 172.709 173.053 -0.344 18053 11216 1 17 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.323 -0.157 18053 11217 1 17 . 1 1 107 107 GLY H H 537 7.533 7.533 7.514 0.019 18053 11218 1 17 . 1 1 108 108 GLU N N 538 118.864 118.864 118.834 0.030 18053 11219 1 17 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.337 -0.201 18053 11220 1 17 . 1 1 108 108 GLU C C 538 176.353 176.353 175.524 0.829 18053 11221 1 17 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.718 0.635 18053 11222 1 17 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.397 -0.241 18053 11223 1 17 . 1 1 108 108 GLU H H 538 8.558 8.558 8.620 -0.062 18053 11224 1 17 . 1 1 109 109 SER N N 539 110.419 110.419 112.880 -2.461 18053 11225 1 17 . 1 1 109 109 SER HA H 539 4.963 4.963 4.714 0.249 18053 11226 1 17 . 1 1 109 109 SER C C 539 173.787 173.787 172.561 1.226 18053 11227 1 17 . 1 1 109 109 SER CA C 539 57.125 57.125 57.873 -0.748 18053 11228 1 17 . 1 1 109 109 SER CB C 539 64.439 64.439 64.944 -0.505 18053 11229 1 17 . 1 1 109 109 SER H H 539 7.620 7.620 7.788 -0.169 18053 11230 1 17 . 1 1 110 110 PHE N N 540 118.778 118.778 119.794 -1.016 18053 11231 1 17 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.319 -0.238 18053 11232 1 17 . 1 1 110 110 PHE C C 540 176.052 176.052 173.711 2.341 18053 11233 1 17 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.346 0.443 18053 11234 1 17 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.092 -1.332 18053 11235 1 17 . 1 1 110 110 PHE H H 540 8.318 8.318 8.825 -0.507 18053 11236 1 17 . 1 1 112 112 THR HA H 542 5.468 5.468 4.996 0.472 18053 11237 1 17 . 1 1 112 112 THR C C 542 172.381 172.381 173.657 -1.276 18053 11238 1 17 . 1 1 112 112 THR CA C 542 61.818 61.818 63.142 -1.325 18053 11239 1 17 . 1 1 112 112 THR CB C 542 70.990 70.990 70.115 0.875 18053 11240 1 17 . 1 1 113 113 VAL N N 543 124.771 124.771 125.585 -0.814 18053 11241 1 17 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.533 0.331 18053 11242 1 17 . 1 1 113 113 VAL C C 543 173.132 173.132 173.845 -0.713 18053 11243 1 17 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.373 -1.274 18053 11244 1 17 . 1 1 113 113 VAL CB C 543 36.433 36.433 35.391 1.042 18053 11245 1 17 . 1 1 113 113 VAL H H 543 9.380 9.380 8.958 0.422 18053 11246 1 17 . 1 1 114 114 LEU N N 544 128.789 128.789 128.583 0.206 18053 11247 1 17 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.853 0.467 18053 11248 1 17 . 1 1 114 114 LEU C C 544 174.237 174.237 175.218 -0.981 18053 11249 1 17 . 1 1 114 114 LEU CA C 544 53.193 53.193 54.187 -0.994 18053 11250 1 17 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.112 1.767 18053 11251 1 17 . 1 1 114 114 LEU H H 544 8.948 8.948 8.312 0.636 18053 11252 1 17 . 1 1 115 115 VAL N N 545 127.002 127.002 126.064 0.938 18053 11253 1 17 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.656 0.198 18053 11254 1 17 . 1 1 115 115 VAL C C 545 175.206 175.206 175.085 0.121 18053 11255 1 17 . 1 1 115 115 VAL CA C 545 59.334 59.334 59.769 -0.435 18053 11256 1 17 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.280 0.215 18053 11257 1 17 . 1 1 115 115 VAL H H 545 9.564 9.564 8.755 0.809 18053 11258 1 17 . 1 1 116 116 ASN N N 546 121.179 121.179 124.257 -3.078 18053 11259 1 17 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.455 -0.558 18053 11260 1 17 . 1 1 116 116 ASN C C 546 176.885 176.885 175.789 1.096 18053 11261 1 17 . 1 1 116 116 ASN CA C 546 50.409 50.409 50.420 -0.011 18053 11262 1 17 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.309 -2.670 18053 11263 1 17 . 1 1 116 116 ASN H H 546 8.016 8.016 7.862 0.154 18053 11264 1 17 . 1 1 117 117 ALA N N 547 119.834 119.834 121.131 -1.297 18053 11265 1 17 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.118 -0.252 18053 11266 1 17 . 1 1 117 117 ALA C C 547 177.772 177.772 178.030 -0.258 18053 11267 1 17 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.078 0.426 18053 11268 1 17 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.419 -0.219 18053 11269 1 17 . 1 1 117 117 ALA H H 547 6.444 6.444 8.009 -1.565 18053 11270 1 17 . 1 1 118 118 ASP N N 548 115.646 115.646 117.561 -1.915 18053 11271 1 17 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.379 0.265 18053 11272 1 17 . 1 1 118 118 ASP C C 548 176.052 176.052 177.431 -1.379 18053 11273 1 17 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.557 -1.490 18053 11274 1 17 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.356 0.318 18053 11275 1 17 . 1 1 118 118 ASP H H 548 7.181 7.181 8.052 -0.871 18053 11276 1 17 . 1 1 119 119 GLY N N 549 107.167 107.167 106.690 0.477 18053 11277 1 17 . 1 1 119 119 GLY C C 549 173.841 173.841 173.884 -0.043 18053 11278 1 17 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.578 0.877 18053 11279 1 17 . 1 1 119 119 GLY H H 549 7.738 7.738 7.614 0.124 18053 11280 1 17 . 1 1 120 120 GLU N N 550 121.196 121.196 120.662 0.534 18053 11281 1 17 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.311 -0.199 18053 11282 1 17 . 1 1 120 120 GLU C C 550 175.588 175.588 175.329 0.259 18053 11283 1 17 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.485 -0.654 18053 11284 1 17 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.533 -0.596 18053 11285 1 17 . 1 1 120 120 GLU H H 550 7.587 7.587 7.616 -0.029 18053 11286 1 17 . 1 1 121 121 GLU N N 551 123.886 123.886 122.751 1.135 18053 11287 1 17 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.390 -0.114 18053 11288 1 17 . 1 1 121 121 GLU C C 551 176.817 176.817 176.614 0.203 18053 11289 1 17 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.616 0.180 18053 11290 1 17 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.245 -0.290 18053 11291 1 17 . 1 1 121 121 GLU H H 551 8.697 8.697 8.654 0.043 18053 11292 1 17 . 1 1 122 122 VAL N N 552 120.055 120.055 119.289 0.766 18053 11293 1 17 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.163 0.201 18053 11294 1 17 . 1 1 122 122 VAL C C 552 175.998 175.998 175.249 0.749 18053 11295 1 17 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.291 -0.636 18053 11296 1 17 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.479 0.570 18053 11297 1 17 . 1 1 122 122 VAL H H 552 8.845 8.845 8.342 0.503 18053 11298 1 17 . 1 1 123 123 ALA N N 553 122.098 122.098 120.982 1.116 18053 11299 1 17 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.686 0.204 18053 11300 1 17 . 1 1 123 123 ALA C C 553 175.261 175.261 175.250 0.011 18053 11301 1 17 . 1 1 123 123 ALA CA C 553 52.757 52.757 50.989 1.768 18053 11302 1 17 . 1 1 123 123 ALA CB C 553 22.267 22.267 22.121 0.146 18053 11303 1 17 . 1 1 123 123 ALA H H 553 7.788 7.788 7.651 0.137 18053 11304 1 17 . 1 1 124 124 MET N N 554 118.217 118.217 120.352 -2.135 18053 11305 1 17 . 1 1 124 124 MET HA H 554 5.286 5.286 4.997 0.289 18053 11306 1 17 . 1 1 124 124 MET C C 554 174.428 174.428 174.175 0.253 18053 11307 1 17 . 1 1 124 124 MET CA C 554 55.104 55.104 55.743 -0.639 18053 11308 1 17 . 1 1 124 124 MET CB C 554 35.342 35.342 35.694 -0.352 18053 11309 1 17 . 1 1 124 124 MET H H 554 8.693 8.693 8.578 0.115 18053 11310 1 17 . 1 1 125 125 ARG N N 555 122.132 122.132 127.542 -5.410 18053 11311 1 17 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.763 0.137 18053 11312 1 17 . 1 1 125 125 ARG CA C 555 56.388 56.388 54.980 1.407 18053 11313 1 17 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.374 1.004 18053 11314 1 17 . 1 1 125 125 ARG H H 555 8.919 8.919 8.775 0.144 18053 11315 1 17 . 1 1 126 126 THR HA H 556 4.685 4.685 4.155 0.530 18053 11316 1 17 . 1 1 126 126 THR C C 556 172.436 172.436 173.624 -1.188 18053 11317 1 17 . 1 1 126 126 THR CA C 556 61.382 61.382 63.819 -2.437 18053 11318 1 17 . 1 1 126 126 THR CB C 556 70.444 70.444 69.281 1.163 18053 11319 1 17 . 1 1 127 127 VAL N N 557 124.976 124.976 126.227 -1.251 18053 11320 1 17 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.322 -0.176 18053 11321 1 17 . 1 1 127 127 VAL C C 557 173.937 173.937 172.895 1.042 18053 11322 1 17 . 1 1 127 127 VAL CA C 557 61.109 61.109 59.700 1.409 18053 11323 1 17 . 1 1 127 127 VAL CB C 557 33.759 33.759 34.097 -0.338 18053 11324 1 17 . 1 1 127 127 VAL H H 557 8.127 8.127 8.029 0.098 18053 11325 1 17 . 1 1 128 128 LYS N N 558 125.384 125.384 123.898 1.486 18053 11326 1 17 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.356 0.350 18053 11327 1 17 . 1 1 128 128 LYS C C 558 175.534 175.534 174.269 1.265 18053 11328 1 17 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.279 0.607 18053 11329 1 17 . 1 1 128 128 LYS CB C 558 34.673 34.673 35.099 -0.425 18053 11330 1 17 . 1 1 128 128 LYS H H 558 8.289 8.289 7.844 0.445 18053 11331 1 17 . 1 1 129 129 LYS N N 559 124.005 124.005 124.437 -0.432 18053 11332 1 17 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.056 0.254 18053 11333 1 17 . 1 1 129 129 LYS C C 559 176.571 176.571 175.540 1.031 18053 11334 1 17 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.829 -1.087 18053 11335 1 17 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.409 0.953 18053 11336 1 17 . 1 1 129 129 LYS H H 559 8.461 8.461 8.163 0.298 18053 11337 1 17 . 1 1 130 130 SER N N 560 117.195 117.195 122.371 -5.176 18053 11338 1 17 . 1 1 130 130 SER HA H 560 4.384 4.384 4.665 -0.281 18053 11339 1 17 . 1 1 130 130 SER C C 560 174.565 174.565 173.271 1.294 18053 11340 1 17 . 1 1 130 130 SER CA C 560 58.434 58.434 57.866 0.568 18053 11341 1 17 . 1 1 130 130 SER CB C 560 63.812 63.812 63.191 0.621 18053 11342 1 17 . 1 1 130 130 SER H H 560 8.465 8.465 8.574 -0.109 18053 11343 1 17 . 1 1 131 131 SER N N 561 118.149 118.149 116.274 1.875 18053 11344 1 17 . 1 1 131 131 SER HA H 561 4.412 4.412 4.160 0.252 18053 11345 1 17 . 1 1 131 131 SER C C 561 174.456 174.456 173.435 1.021 18053 11346 1 17 . 1 1 131 131 SER CA C 561 58.489 58.489 59.085 -0.596 18053 11347 1 17 . 1 1 131 131 SER CB C 561 63.811 63.811 63.252 0.559 18053 11348 1 17 . 1 1 131 131 SER H H 561 8.336 8.336 8.007 0.329 18053 11349 1 17 . 1 1 132 132 VAL N N 562 121.332 121.332 117.171 4.161 18053 11350 1 17 . 1 1 132 132 VAL HA H 562 4.035 4.035 3.773 0.262 18053 11351 1 17 . 1 1 132 132 VAL C C 562 176.066 176.066 174.993 1.073 18053 11352 1 17 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.363 -0.917 18053 11353 1 17 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.218 1.176 18053 11354 1 17 . 1 1 132 132 VAL H H 562 7.982 7.982 8.185 -0.203 18053 11355 1 17 . 1 1 133 133 MET N N 563 124.022 124.022 120.188 3.834 18053 11356 1 17 . 1 1 133 133 MET HA H 563 4.385 4.385 4.438 -0.053 18053 11357 1 17 . 1 1 133 133 MET C C 563 176.039 176.039 176.343 -0.304 18053 11358 1 17 . 1 1 133 133 MET CA C 563 55.350 55.350 53.761 1.589 18053 11359 1 17 . 1 1 133 133 MET CB C 563 32.503 32.503 32.351 0.152 18053 11360 1 17 . 1 1 133 133 MET H H 563 8.295 8.295 7.822 0.473 18053 11361 1 17 . 1 1 134 134 ARG N N 564 122.677 122.677 123.586 -0.909 18053 11362 1 17 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.427 -0.165 18053 11363 1 17 . 1 1 134 134 ARG C C 564 176.298 176.298 176.538 -0.240 18053 11364 1 17 . 1 1 134 134 ARG CA C 564 56.087 56.087 54.438 1.649 18053 11365 1 17 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.017 0.685 18053 11366 1 17 . 1 1 134 134 ARG H H 564 8.295 8.295 8.626 -0.331 18053 11367 1 17 . 1 1 135 135 GLU N N 565 121.945 121.945 126.367 -4.422 18053 11368 1 17 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.340 -0.180 18053 11369 1 17 . 1 1 135 135 GLU C C 565 176.080 176.080 176.433 -0.353 18053 11370 1 17 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.633 0.272 18053 11371 1 17 . 1 1 135 135 GLU CB C 565 29.774 29.774 28.150 1.624 18053 11372 1 17 . 1 1 135 135 GLU H H 565 8.470 8.470 8.959 -0.489 18053 11373 1 17 . 1 1 136 136 ASN N N 566 118.761 118.761 120.608 -1.847 18053 11374 1 17 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.587 0.030 18053 11375 1 17 . 1 1 136 136 ASN C C 566 175.315 175.315 175.960 -0.645 18053 11376 1 17 . 1 1 136 136 ASN CA C 566 53.193 53.193 54.441 -1.248 18053 11377 1 17 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.836 -0.000 18053 11378 1 17 . 1 1 136 136 ASN H H 566 8.341 8.341 8.168 0.173 18053 11379 1 17 . 1 1 137 137 GLU N N 567 121.349 121.349 118.272 3.077 18053 11380 1 17 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.158 -0.006 18053 11381 1 17 . 1 1 137 137 GLU C C 567 176.243 176.243 176.443 -0.200 18053 11382 1 17 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.775 -0.869 18053 11383 1 17 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.627 0.365 18053 11384 1 17 . 1 1 137 137 GLU H H 567 8.349 8.349 8.571 -0.222 18053 11385 1 17 . 1 1 138 138 ASN N N 568 118.761 118.761 116.942 1.819 18053 11386 1 17 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.893 -0.181 18053 11387 1 17 . 1 1 138 138 ASN C C 568 174.551 174.551 173.736 0.815 18053 11388 1 17 . 1 1 138 138 ASN CA C 568 53.193 53.193 52.656 0.537 18053 11389 1 17 . 1 1 138 138 ASN CB C 568 39.327 39.327 41.866 -2.539 18053 11390 1 17 . 1 1 138 138 ASN H H 568 8.397 8.397 7.672 0.725 18053 11391 1 18 . 1 1 20 20 ALA N N 450 125.180 125.180 124.662 0.518 18053 11392 1 18 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.528 0.178 18053 11393 1 18 . 1 1 20 20 ALA C C 450 177.226 177.226 176.647 0.579 18053 11394 1 18 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.707 0.050 18053 11395 1 18 . 1 1 20 20 ALA CB C 450 20.411 20.411 19.452 0.959 18053 11396 1 18 . 1 1 20 20 ALA H H 450 8.484 8.484 8.572 -0.088 18053 11397 1 18 . 1 1 21 21 SER N N 451 115.714 115.714 119.858 -4.144 18053 11398 1 18 . 1 1 21 21 SER HA H 451 4.513 4.513 4.451 0.062 18053 11399 1 18 . 1 1 21 21 SER C C 451 174.742 174.742 174.950 -0.208 18053 11400 1 18 . 1 1 21 21 SER CA C 451 58.516 58.516 58.313 0.203 18053 11401 1 18 . 1 1 21 21 SER CB C 451 64.159 64.159 64.256 -0.097 18053 11402 1 18 . 1 1 21 21 SER H H 451 8.487 8.487 8.638 -0.151 18053 11403 1 18 . 1 1 22 22 GLY N N 452 111.509 111.509 114.434 -2.925 18053 11404 1 18 . 1 1 22 22 GLY C C 452 174.401 174.401 174.770 -0.369 18053 11405 1 18 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.620 -0.561 18053 11406 1 18 . 1 1 22 22 GLY H H 452 8.198 8.198 8.860 -0.662 18053 11407 1 18 . 1 1 23 23 SER N N 453 116.191 116.191 116.389 -0.198 18053 11408 1 18 . 1 1 23 23 SER HA H 453 4.364 4.364 4.452 -0.088 18053 11409 1 18 . 1 1 23 23 SER C C 453 173.432 173.432 174.813 -1.381 18053 11410 1 18 . 1 1 23 23 SER CA C 453 59.744 59.744 60.008 -0.265 18053 11411 1 18 . 1 1 23 23 SER CB C 453 64.335 64.335 63.284 1.051 18053 11412 1 18 . 1 1 23 23 SER H H 453 8.494 8.494 8.508 -0.014 18053 11413 1 18 . 1 1 24 24 VAL N N 454 121.656 121.656 120.446 1.210 18053 11414 1 18 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.130 0.904 18053 11415 1 18 . 1 1 24 24 VAL C C 454 174.606 174.606 175.589 -0.983 18053 11416 1 18 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.716 -0.661 18053 11417 1 18 . 1 1 24 24 VAL CB C 454 32.503 32.503 31.581 0.922 18053 11418 1 18 . 1 1 24 24 VAL H H 454 7.830 7.830 7.662 0.168 18053 11419 1 18 . 1 1 25 25 SER N N 455 119.323 119.323 121.090 -1.767 18053 11420 1 18 . 1 1 25 25 SER HA H 455 4.672 4.672 4.855 -0.183 18053 11421 1 18 . 1 1 25 25 SER C C 455 174.426 174.426 173.438 0.988 18053 11422 1 18 . 1 1 25 25 SER CA C 455 55.268 55.268 55.513 -0.245 18053 11423 1 18 . 1 1 25 25 SER CB C 455 65.162 65.162 65.570 -0.408 18053 11424 1 18 . 1 1 25 25 SER H H 455 9.065 9.065 8.754 0.311 18053 11425 1 18 . 1 1 26 26 ILE N N 456 119.468 119.468 128.021 -8.553 18053 11426 1 18 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.167 0.013 18053 11427 1 18 . 1 1 26 26 ILE C C 456 175.506 175.506 175.943 -0.437 18053 11428 1 18 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.868 -0.540 18053 11429 1 18 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.953 1.009 18053 11430 1 18 . 1 1 26 26 ILE H H 456 8.295 8.295 8.839 -0.544 18053 11431 1 18 . 1 1 27 27 GLU N N 457 129.726 129.726 129.170 0.556 18053 11432 1 18 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.222 0.006 18053 11433 1 18 . 1 1 27 27 GLU C C 457 175.179 175.179 176.148 -0.969 18053 11434 1 18 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.561 -3.129 18053 11435 1 18 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.979 -0.837 18053 11436 1 18 . 1 1 27 27 GLU H H 457 8.393 8.393 8.192 0.201 18053 11437 1 18 . 1 1 28 28 GLU N N 458 117.076 117.076 116.446 0.630 18053 11438 1 18 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.617 -0.449 18053 11439 1 18 . 1 1 28 28 GLU C C 458 174.701 174.701 175.188 -0.487 18053 11440 1 18 . 1 1 28 28 GLU CA C 458 56.906 56.906 54.930 1.976 18053 11441 1 18 . 1 1 28 28 GLU CB C 458 31.848 31.848 32.622 -0.774 18053 11442 1 18 . 1 1 28 28 GLU H H 458 7.489 7.489 8.052 -0.563 18053 11443 1 18 . 1 1 29 29 ILE N N 459 122.183 122.183 120.879 1.304 18053 11444 1 18 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.983 -0.219 18053 11445 1 18 . 1 1 29 29 ILE C C 459 174.169 174.169 174.580 -0.411 18053 11446 1 18 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.501 0.025 18053 11447 1 18 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.965 -1.656 18053 11448 1 18 . 1 1 29 29 ILE H H 459 8.126 8.126 8.315 -0.189 18053 11449 1 18 . 1 1 30 30 ASP N N 460 123.205 123.205 124.115 -0.910 18053 11450 1 18 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.158 0.025 18053 11451 1 18 . 1 1 30 30 ASP C C 460 178.318 178.318 177.663 0.655 18053 11452 1 18 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.298 0.632 18053 11453 1 18 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.287 0.520 18053 11454 1 18 . 1 1 30 30 ASP H H 460 6.704 6.704 7.486 -0.782 18053 11455 1 18 . 1 1 31 31 LEU N N 461 128.551 128.551 119.787 8.764 18053 11456 1 18 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.039 0.025 18053 11457 1 18 . 1 1 31 31 LEU C C 461 177.513 177.513 177.630 -0.117 18053 11458 1 18 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.406 -0.282 18053 11459 1 18 . 1 1 31 31 LEU CB C 461 41.237 41.237 42.141 -0.904 18053 11460 1 18 . 1 1 31 31 LEU H H 461 9.012 9.012 8.069 0.943 18053 11461 1 18 . 1 1 32 32 GLU N N 462 115.101 115.101 116.818 -1.717 18053 11462 1 18 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.734 -0.451 18053 11463 1 18 . 1 1 32 32 GLU C C 462 177.062 177.062 176.993 0.069 18053 11464 1 18 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.330 -0.571 18053 11465 1 18 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.781 -1.212 18053 11466 1 18 . 1 1 32 32 GLU H H 462 7.588 7.588 7.914 -0.326 18053 11467 1 18 . 1 1 33 33 GLY N N 463 106.299 106.299 107.775 -1.476 18053 11468 1 18 . 1 1 33 33 GLY C C 463 174.824 174.824 174.705 0.119 18053 11469 1 18 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.960 1.846 18053 11470 1 18 . 1 1 33 33 GLY H H 463 7.372 7.372 8.167 -0.795 18053 11471 1 18 . 1 1 34 34 LYS N N 464 118.744 118.744 119.101 -0.357 18053 11472 1 18 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.381 0.181 18053 11473 1 18 . 1 1 34 34 LYS C C 464 177.076 177.076 174.771 2.305 18053 11474 1 18 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.500 2.463 18053 11475 1 18 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.689 -0.578 18053 11476 1 18 . 1 1 34 34 LYS H H 464 9.547 9.547 8.226 1.321 18053 11477 1 18 . 1 1 35 35 PHE N N 465 109.125 109.125 112.769 -3.644 18053 11478 1 18 . 1 1 35 35 PHE HA H 465 5.514 5.514 4.778 0.736 18053 11479 1 18 . 1 1 35 35 PHE C C 465 174.183 174.183 172.454 1.729 18053 11480 1 18 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.398 1.234 18053 11481 1 18 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.944 -0.345 18053 11482 1 18 . 1 1 35 35 PHE H H 465 6.740 6.740 6.968 -0.228 18053 11483 1 18 . 1 1 36 36 VAL N N 466 119.579 119.579 118.867 0.712 18053 11484 1 18 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.126 -0.417 18053 11485 1 18 . 1 1 36 36 VAL C C 466 172.668 172.668 173.913 -1.245 18053 11486 1 18 . 1 1 36 36 VAL CA C 466 62.692 62.692 60.978 1.714 18053 11487 1 18 . 1 1 36 36 VAL CB C 466 36.215 36.215 35.452 0.763 18053 11488 1 18 . 1 1 36 36 VAL H H 466 7.628 7.628 7.852 -0.224 18053 11489 1 18 . 1 1 37 37 GLN N N 467 126.831 126.831 127.875 -1.044 18053 11490 1 18 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.869 0.580 18053 11491 1 18 . 1 1 37 37 GLN C C 467 174.797 174.797 175.070 -0.273 18053 11492 1 18 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.988 -0.867 18053 11493 1 18 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.782 4.841 18053 11494 1 18 . 1 1 37 37 GLN H H 467 8.392 8.392 8.315 0.077 18053 11495 1 18 . 1 1 38 38 LEU N N 468 123.018 123.018 128.445 -5.427 18053 11496 1 18 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.223 0.199 18053 11497 1 18 . 1 1 38 38 LEU C C 468 175.588 175.588 176.353 -0.765 18053 11498 1 18 . 1 1 38 38 LEU CA C 468 52.702 52.702 54.086 -1.384 18053 11499 1 18 . 1 1 38 38 LEU CB C 468 45.046 45.046 43.725 1.321 18053 11500 1 18 . 1 1 38 38 LEU H H 468 9.103 9.103 8.714 0.389 18053 11501 1 18 . 1 1 39 39 LYS N N 469 118.983 118.983 120.015 -1.032 18053 11502 1 18 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.744 0.108 18053 11503 1 18 . 1 1 39 39 LYS C C 469 173.309 173.309 174.264 -0.955 18053 11504 1 18 . 1 1 39 39 LYS CA C 469 54.994 54.994 55.106 -0.112 18053 11505 1 18 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.319 1.927 18053 11506 1 18 . 1 1 39 39 LYS H H 469 8.496 8.496 8.796 -0.300 18053 11507 1 18 . 1 1 40 40 ASN N N 470 121.758 121.758 125.827 -4.069 18053 11508 1 18 . 1 1 40 40 ASN HA H 470 4.788 4.788 5.233 -0.445 18053 11509 1 18 . 1 1 40 40 ASN C C 470 174.496 174.496 175.131 -0.635 18053 11510 1 18 . 1 1 40 40 ASN CA C 470 51.119 51.119 51.459 -0.341 18053 11511 1 18 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.192 -1.633 18053 11512 1 18 . 1 1 40 40 ASN H H 470 8.283 8.283 8.585 -0.302 18053 11513 1 18 . 1 1 41 41 ASN N N 471 122.422 122.422 122.678 -0.256 18053 11514 1 18 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.545 0.043 18053 11515 1 18 . 1 1 41 41 ASN C C 471 174.810 174.810 175.505 -0.695 18053 11516 1 18 . 1 1 41 41 ASN CA C 471 53.985 53.985 54.035 -0.050 18053 11517 1 18 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.680 0.920 18053 11518 1 18 . 1 1 41 41 ASN H H 471 8.681 8.681 8.544 0.137 18053 11519 1 18 . 1 1 42 42 SER N N 472 116.446 116.446 115.739 0.707 18053 11520 1 18 . 1 1 42 42 SER HA H 472 4.719 4.719 4.420 0.299 18053 11521 1 18 . 1 1 42 42 SER C C 472 172.804 172.804 174.658 -1.854 18053 11522 1 18 . 1 1 42 42 SER CA C 472 57.288 57.288 57.619 -0.331 18053 11523 1 18 . 1 1 42 42 SER CB C 472 66.241 66.241 64.682 1.559 18053 11524 1 18 . 1 1 42 42 SER H H 472 8.370 8.370 7.624 0.746 18053 11525 1 18 . 1 1 43 43 ASP N N 473 117.706 117.706 122.536 -4.830 18053 11526 1 18 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.473 0.001 18053 11527 1 18 . 1 1 43 43 ASP C C 473 175.343 175.343 176.024 -0.681 18053 11528 1 18 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.112 -1.591 18053 11529 1 18 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.060 -0.738 18053 11530 1 18 . 1 1 43 43 ASP H H 473 8.254 8.254 8.753 -0.499 18053 11531 1 18 . 1 1 44 44 LYS N N 474 120.209 120.209 119.691 0.518 18053 11532 1 18 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.442 0.127 18053 11533 1 18 . 1 1 44 44 LYS C C 474 175.397 175.397 175.981 -0.584 18053 11534 1 18 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.256 -0.244 18053 11535 1 18 . 1 1 44 44 LYS CB C 474 35.383 35.383 33.318 2.065 18053 11536 1 18 . 1 1 44 44 LYS H H 474 8.305 8.305 7.537 0.768 18053 11537 1 18 . 1 1 45 45 ASP N N 475 124.993 124.993 122.907 2.086 18053 11538 1 18 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.529 -0.554 18053 11539 1 18 . 1 1 45 45 ASP C C 475 174.810 174.810 175.949 -1.139 18053 11540 1 18 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.035 -0.040 18053 11541 1 18 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.486 -0.122 18053 11542 1 18 . 1 1 45 45 ASP H H 475 8.722 8.722 8.540 0.182 18053 11543 1 18 . 1 1 46 46 GLN N N 476 120.549 120.549 126.709 -6.160 18053 11544 1 18 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.193 0.243 18053 11545 1 18 . 1 1 46 46 GLN C C 476 174.019 174.019 175.494 -1.475 18053 11546 1 18 . 1 1 46 46 GLN CA C 476 53.138 53.138 55.047 -1.909 18053 11547 1 18 . 1 1 46 46 GLN CB C 476 31.466 31.466 28.886 2.580 18053 11548 1 18 . 1 1 46 46 GLN H H 476 7.878 7.878 8.251 -0.373 18053 11549 1 18 . 1 1 47 47 SER N N 477 121.537 121.537 123.381 -1.844 18053 11550 1 18 . 1 1 47 47 SER HA H 477 4.229 4.229 4.159 0.070 18053 11551 1 18 . 1 1 47 47 SER C C 477 174.565 174.565 173.172 1.393 18053 11552 1 18 . 1 1 47 47 SER CA C 477 58.706 58.706 59.374 -0.668 18053 11553 1 18 . 1 1 47 47 SER CB C 477 62.965 62.965 62.870 0.095 18053 11554 1 18 . 1 1 47 47 SER H H 477 8.748 8.748 8.671 0.077 18053 11555 1 18 . 1 1 48 48 LEU N N 478 127.751 127.751 126.010 1.741 18053 11556 1 18 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.208 -1.577 18053 11557 1 18 . 1 1 48 48 LEU C C 478 176.789 176.789 176.503 0.286 18053 11558 1 18 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.928 -1.826 18053 11559 1 18 . 1 1 48 48 LEU CB C 478 42.343 42.343 44.145 -1.802 18053 11560 1 18 . 1 1 48 48 LEU H H 478 7.856 7.856 7.536 0.320 18053 11561 1 18 . 1 1 49 49 GLY N N 479 107.525 107.525 109.531 -2.006 18053 11562 1 18 . 1 1 49 49 GLY C C 479 176.653 176.653 175.115 1.538 18053 11563 1 18 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.907 2.155 18053 11564 1 18 . 1 1 49 49 GLY H H 479 7.728 7.728 8.640 -0.912 18053 11565 1 18 . 1 1 50 50 ASN N N 480 117.059 117.059 119.823 -2.764 18053 11566 1 18 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.578 -0.323 18053 11567 1 18 . 1 1 50 50 ASN C C 480 174.961 174.961 175.375 -0.414 18053 11568 1 18 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.404 1.956 18053 11569 1 18 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.869 -1.453 18053 11570 1 18 . 1 1 50 50 ASN H H 480 7.552 7.552 8.705 -1.153 18053 11571 1 18 . 1 1 51 51 TRP N N 481 122.166 122.166 119.097 3.069 18053 11572 1 18 . 1 1 51 51 TRP HA H 481 4.477 4.477 5.023 -0.546 18053 11573 1 18 . 1 1 51 51 TRP C C 481 175.575 175.575 175.899 -0.324 18053 11574 1 18 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.698 1.064 18053 11575 1 18 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.393 -1.352 18053 11576 1 18 . 1 1 51 51 TRP H H 481 8.914 8.914 7.896 1.018 18053 11577 1 18 . 1 1 52 52 ARG N N 482 116.480 116.480 120.355 -3.875 18053 11578 1 18 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.316 0.652 18053 11579 1 18 . 1 1 52 52 ARG C C 482 175.807 175.807 175.167 0.640 18053 11580 1 18 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.317 -0.196 18053 11581 1 18 . 1 1 52 52 ARG CB C 482 35.124 35.124 34.595 0.529 18053 11582 1 18 . 1 1 52 52 ARG H H 482 9.147 9.147 9.141 0.006 18053 11583 1 18 . 1 1 53 53 ILE N N 483 119.579 119.579 124.230 -4.651 18053 11584 1 18 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.947 0.038 18053 11585 1 18 . 1 1 53 53 ILE C C 483 175.670 175.670 175.980 -0.310 18053 11586 1 18 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.273 0.127 18053 11587 1 18 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.822 1.405 18053 11588 1 18 . 1 1 53 53 ILE H H 483 9.000 9.000 8.660 0.340 18053 11589 1 18 . 1 1 54 54 LYS N N 484 124.737 124.737 129.388 -4.651 18053 11590 1 18 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.644 0.819 18053 11591 1 18 . 1 1 54 54 LYS C C 484 175.575 175.575 176.089 -0.514 18053 11592 1 18 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.160 -1.546 18053 11593 1 18 . 1 1 54 54 LYS CB C 484 35.041 35.041 32.137 2.904 18053 11594 1 18 . 1 1 54 54 LYS H H 484 9.678 9.678 8.434 1.244 18053 11595 1 18 . 1 1 55 55 ARG N N 485 124.090 124.090 127.810 -3.720 18053 11596 1 18 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.685 0.840 18053 11597 1 18 . 1 1 55 55 ARG C C 485 174.155 174.155 175.019 -0.864 18053 11598 1 18 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.787 -0.884 18053 11599 1 18 . 1 1 55 55 ARG H H 485 9.314 9.314 8.740 0.574 18053 11600 1 18 . 1 1 56 56 GLN N N 486 126.576 126.576 126.941 -0.365 18053 11601 1 18 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.889 -0.047 18053 11602 1 18 . 1 1 56 56 GLN C C 486 174.991 174.991 175.046 -0.055 18053 11603 1 18 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.743 0.088 18053 11604 1 18 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.387 2.078 18053 11605 1 18 . 1 1 56 56 GLN H H 486 8.831 8.831 8.500 0.331 18053 11606 1 18 . 1 1 57 57 VAL N N 487 126.712 126.712 124.485 2.227 18053 11607 1 18 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.270 -0.004 18053 11608 1 18 . 1 1 57 57 VAL C C 487 175.916 175.916 177.072 -1.156 18053 11609 1 18 . 1 1 57 57 VAL CA C 487 61.820 61.820 61.781 0.039 18053 11610 1 18 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.504 0.299 18053 11611 1 18 . 1 1 57 57 VAL H H 487 8.786 8.786 8.798 -0.012 18053 11612 1 18 . 1 1 58 58 LEU N N 488 127.274 127.274 125.657 1.617 18053 11613 1 18 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.175 -0.090 18053 11614 1 18 . 1 1 58 58 LEU C C 488 177.158 177.158 177.747 -0.589 18053 11615 1 18 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.461 -0.555 18053 11616 1 18 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.564 -0.190 18053 11617 1 18 . 1 1 58 58 LEU H H 488 8.316 8.316 8.544 -0.228 18053 11618 1 18 . 1 1 59 59 GLU N N 489 119.647 119.647 119.032 0.615 18053 11619 1 18 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.209 -0.097 18053 11620 1 18 . 1 1 59 59 GLU C C 489 176.230 176.230 177.241 -1.011 18053 11621 1 18 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.566 0.450 18053 11622 1 18 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.826 -1.677 18053 11623 1 18 . 1 1 59 59 GLU H H 489 8.636 8.636 8.092 0.544 18053 11624 1 18 . 1 1 60 60 GLY N N 490 108.819 108.819 107.608 1.211 18053 11625 1 18 . 1 1 60 60 GLY C C 490 173.568 173.568 173.907 -0.339 18053 11626 1 18 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.591 0.182 18053 11627 1 18 . 1 1 60 60 GLY H H 490 8.160 8.160 7.829 0.331 18053 11628 1 18 . 1 1 61 61 GLU N N 491 121.009 121.009 121.590 -0.581 18053 11629 1 18 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.570 -0.247 18053 11630 1 18 . 1 1 61 61 GLU C C 491 175.725 175.725 175.048 0.677 18053 11631 1 18 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.163 1.032 18053 11632 1 18 . 1 1 61 61 GLU CB C 491 30.865 30.865 30.961 -0.096 18053 11633 1 18 . 1 1 61 61 GLU H H 491 8.320 8.320 7.870 0.450 18053 11634 1 18 . 1 1 62 62 GLU N N 492 123.426 123.426 124.266 -0.840 18053 11635 1 18 . 1 1 62 62 GLU HA H 492 5.054 5.054 4.949 0.105 18053 11636 1 18 . 1 1 62 62 GLU C C 492 175.930 175.930 176.197 -0.267 18053 11637 1 18 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.125 0.525 18053 11638 1 18 . 1 1 62 62 GLU CB C 492 32.312 32.312 29.023 3.289 18053 11639 1 18 . 1 1 62 62 GLU H H 492 8.594 8.594 8.789 -0.195 18053 11640 1 18 . 1 1 63 63 ILE N N 493 119.732 119.732 119.194 0.538 18053 11641 1 18 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.574 0.214 18053 11642 1 18 . 1 1 63 63 ILE C C 493 174.647 174.647 174.492 0.155 18053 11643 1 18 . 1 1 63 63 ILE CA C 493 60.181 60.181 60.245 -0.064 18053 11644 1 18 . 1 1 63 63 ILE CB C 493 41.183 41.183 39.690 1.493 18053 11645 1 18 . 1 1 63 63 ILE H H 493 8.523 8.523 7.942 0.581 18053 11646 1 18 . 1 1 64 64 ALA N N 494 122.166 122.166 128.387 -6.221 18053 11647 1 18 . 1 1 64 64 ALA HA H 494 5.521 5.521 4.652 0.869 18053 11648 1 18 . 1 1 64 64 ALA C C 494 174.606 174.606 176.095 -1.489 18053 11649 1 18 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.188 1.340 18053 11650 1 18 . 1 1 64 64 ALA CB C 494 22.239 22.239 19.889 2.350 18053 11651 1 18 . 1 1 64 64 ALA H H 494 8.741 8.741 8.372 0.369 18053 11652 1 18 . 1 1 65 65 TYR N N 495 126.729 126.729 126.698 0.031 18053 11653 1 18 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.465 -0.371 18053 11654 1 18 . 1 1 65 65 TYR C C 495 173.036 173.036 174.193 -1.157 18053 11655 1 18 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.650 0.255 18053 11656 1 18 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.190 2.079 18053 11657 1 18 . 1 1 65 65 TYR H H 495 8.462 8.462 8.305 0.157 18053 11658 1 18 . 1 1 66 66 LYS N N 496 128.108 128.108 127.729 0.379 18053 11659 1 18 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.410 0.412 18053 11660 1 18 . 1 1 66 66 LYS C C 496 174.906 174.906 174.877 0.029 18053 11661 1 18 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.553 -0.814 18053 11662 1 18 . 1 1 66 66 LYS CB C 496 34.782 34.782 32.389 2.393 18053 11663 1 18 . 1 1 66 66 LYS H H 496 7.010 7.010 7.292 -0.282 18053 11664 1 18 . 1 1 67 67 PHE N N 497 125.299 125.299 123.144 2.155 18053 11665 1 18 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.124 -0.192 18053 11666 1 18 . 1 1 67 67 PHE C C 497 177.990 177.990 175.841 2.149 18053 11667 1 18 . 1 1 67 67 PHE CA C 497 59.007 59.007 58.292 0.715 18053 11668 1 18 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.037 0.944 18053 11669 1 18 . 1 1 67 67 PHE H H 497 8.509 8.509 7.996 0.513 18053 11670 1 18 . 1 1 68 68 THR N N 498 116.191 116.191 111.764 4.427 18053 11671 1 18 . 1 1 68 68 THR HA H 498 4.417 4.417 4.674 -0.257 18053 11672 1 18 . 1 1 68 68 THR CA C 498 60.855 60.855 59.027 1.828 18053 11673 1 18 . 1 1 68 68 THR CB C 498 68.019 68.019 69.520 -1.501 18053 11674 1 18 . 1 1 68 68 THR H H 498 8.688 8.688 8.312 0.376 18053 11675 1 18 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.574 -0.626 18053 11676 1 18 . 1 1 69 69 PRO C C 499 177.444 177.444 176.859 0.585 18053 11677 1 18 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.456 1.621 18053 11678 1 18 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.849 0.927 18053 11679 1 18 . 1 1 70 70 LYS N N 500 113.552 113.552 115.707 -2.155 18053 11680 1 18 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.158 0.227 18053 11681 1 18 . 1 1 70 70 LYS C C 500 176.325 176.325 176.697 -0.372 18053 11682 1 18 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.734 -1.739 18053 11683 1 18 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.852 -0.059 18053 11684 1 18 . 1 1 70 70 LYS H H 500 8.016 8.016 7.828 0.188 18053 11685 1 18 . 1 1 71 71 TYR N N 501 121.860 121.860 121.716 0.144 18053 11686 1 18 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.406 -0.676 18053 11687 1 18 . 1 1 71 71 TYR C C 501 174.838 174.838 173.842 0.996 18053 11688 1 18 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.083 3.227 18053 11689 1 18 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.315 -0.534 18053 11690 1 18 . 1 1 71 71 TYR H H 501 7.460 7.460 7.770 -0.310 18053 11691 1 18 . 1 1 72 72 ILE N N 502 129.487 129.487 127.195 2.292 18053 11692 1 18 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.428 -0.500 18053 11693 1 18 . 1 1 72 72 ILE C C 502 172.968 172.968 174.032 -1.064 18053 11694 1 18 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.356 -0.048 18053 11695 1 18 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.544 0.366 18053 11696 1 18 . 1 1 72 72 ILE H H 502 7.168 7.168 7.906 -0.738 18053 11697 1 18 . 1 1 73 73 LEU N N 503 128.278 128.278 129.120 -0.842 18053 11698 1 18 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.449 0.044 18053 11699 1 18 . 1 1 73 73 LEU C C 503 175.834 175.834 175.360 0.474 18053 11700 1 18 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.088 -1.123 18053 11701 1 18 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.246 -0.698 18053 11702 1 18 . 1 1 73 73 LEU H H 503 8.483 8.483 8.360 0.123 18053 11703 1 18 . 1 1 74 74 ARG N N 504 129.589 129.589 125.519 4.070 18053 11704 1 18 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.347 -0.604 18053 11705 1 18 . 1 1 74 74 ARG C C 504 175.233 175.233 175.883 -0.650 18053 11706 1 18 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.245 1.606 18053 11707 1 18 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.962 -0.670 18053 11708 1 18 . 1 1 74 74 ARG H H 504 8.673 8.673 8.370 0.303 18053 11709 1 18 . 1 1 75 75 ALA N N 505 123.205 123.205 123.589 -0.384 18053 11710 1 18 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.413 -0.891 18053 11711 1 18 . 1 1 75 75 ALA C C 505 178.441 178.441 178.199 0.242 18053 11712 1 18 . 1 1 75 75 ALA CA C 505 53.794 53.794 52.585 1.209 18053 11713 1 18 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.469 0.441 18053 11714 1 18 . 1 1 75 75 ALA H H 505 8.564 8.564 8.360 0.204 18053 11715 1 18 . 1 1 76 76 GLY N N 506 112.241 112.241 112.685 -0.444 18053 11716 1 18 . 1 1 76 76 GLY C C 506 174.278 174.278 173.982 0.296 18053 11717 1 18 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.135 1.591 18053 11718 1 18 . 1 1 76 76 GLY H H 506 7.381 7.381 8.552 -1.171 18053 11719 1 18 . 1 1 77 77 GLN N N 507 117.382 117.382 118.534 -1.152 18053 11720 1 18 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.716 -0.352 18053 11721 1 18 . 1 1 77 77 GLN C C 507 173.937 173.937 174.578 -0.641 18053 11722 1 18 . 1 1 77 77 GLN CA C 507 54.558 54.558 53.717 0.841 18053 11723 1 18 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.767 -0.694 18053 11724 1 18 . 1 1 77 77 GLN H H 507 7.996 7.996 7.626 0.370 18053 11725 1 18 . 1 1 78 78 MET N N 508 116.957 116.957 115.673 1.284 18053 11726 1 18 . 1 1 78 78 MET HA H 508 5.388 5.388 4.689 0.699 18053 11727 1 18 . 1 1 78 78 MET C C 508 175.807 175.807 174.065 1.742 18053 11728 1 18 . 1 1 78 78 MET CA C 508 54.067 54.067 54.201 -0.134 18053 11729 1 18 . 1 1 78 78 MET CB C 508 37.198 37.198 34.796 2.402 18053 11730 1 18 . 1 1 78 78 MET H H 508 8.092 8.092 8.239 -0.147 18053 11731 1 18 . 1 1 79 79 VAL N N 509 119.340 119.340 119.395 -0.055 18053 11732 1 18 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.725 0.231 18053 11733 1 18 . 1 1 79 79 VAL C C 509 172.217 172.217 174.054 -1.837 18053 11734 1 18 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.722 -1.251 18053 11735 1 18 . 1 1 79 79 VAL CB C 509 33.676 33.676 36.210 -2.534 18053 11736 1 18 . 1 1 79 79 VAL H H 509 8.534 8.534 8.606 -0.072 18053 11737 1 18 . 1 1 80 80 THR N N 510 124.533 124.533 124.509 0.024 18053 11738 1 18 . 1 1 80 80 THR HA H 510 4.586 4.586 4.947 -0.361 18053 11739 1 18 . 1 1 80 80 THR C C 510 172.215 172.215 173.986 -1.771 18053 11740 1 18 . 1 1 80 80 THR CA C 510 62.119 62.119 61.545 0.574 18053 11741 1 18 . 1 1 80 80 THR CB C 510 69.407 69.407 69.576 -0.169 18053 11742 1 18 . 1 1 80 80 THR H H 510 8.301 8.301 8.532 -0.231 18053 11743 1 18 . 1 1 81 81 VAL N N 511 127.002 127.002 121.706 5.296 18053 11744 1 18 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.944 -0.348 18053 11745 1 18 . 1 1 81 81 VAL C C 511 176.667 176.667 175.125 1.542 18053 11746 1 18 . 1 1 81 81 VAL CA C 511 61.382 61.382 59.962 1.420 18053 11747 1 18 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.614 -0.669 18053 11748 1 18 . 1 1 81 81 VAL H H 511 8.796 8.796 8.646 0.150 18053 11749 1 18 . 1 1 82 82 TRP N N 512 131.479 131.479 129.163 2.316 18053 11750 1 18 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.097 0.241 18053 11751 1 18 . 1 1 82 82 TRP C C 512 176.885 176.885 175.689 1.196 18053 11752 1 18 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.597 -0.155 18053 11753 1 18 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.405 -0.704 18053 11754 1 18 . 1 1 82 82 TRP H H 512 9.924 9.924 9.163 0.761 18053 11755 1 18 . 1 1 83 83 ALA N N 513 123.954 123.954 120.807 3.147 18053 11756 1 18 . 1 1 83 83 ALA HA H 513 4.308 4.308 5.195 -0.887 18053 11757 1 18 . 1 1 83 83 ALA C C 513 178.140 178.140 178.223 -0.083 18053 11758 1 18 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.680 1.531 18053 11759 1 18 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.603 -1.858 18053 11760 1 18 . 1 1 83 83 ALA H H 513 9.048 9.048 8.596 0.452 18053 11761 1 18 . 1 1 84 84 ALA N N 514 125.146 125.146 124.247 0.899 18053 11762 1 18 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.169 -0.218 18053 11763 1 18 . 1 1 84 84 ALA C C 514 179.519 179.519 178.157 1.362 18053 11764 1 18 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.722 0.082 18053 11765 1 18 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.012 -0.430 18053 11766 1 18 . 1 1 84 84 ALA H H 514 8.341 8.341 8.280 0.061 18053 11767 1 18 . 1 1 85 85 GLY N N 515 103.388 103.388 103.492 -0.104 18053 11768 1 18 . 1 1 85 85 GLY C C 515 174.674 174.674 174.870 -0.196 18053 11769 1 18 . 1 1 85 85 GLY CA C 515 45.878 45.878 44.144 1.734 18053 11770 1 18 . 1 1 85 85 GLY H H 515 7.996 7.996 7.593 0.403 18053 11771 1 18 . 1 1 86 86 ALA N N 516 120.140 120.140 123.934 -3.794 18053 11772 1 18 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.575 -0.231 18053 11773 1 18 . 1 1 86 86 ALA C C 516 177.690 177.690 177.412 0.278 18053 11774 1 18 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.910 1.229 18053 11775 1 18 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.426 1.121 18053 11776 1 18 . 1 1 86 86 ALA H H 516 7.474 7.474 7.310 0.164 18053 11777 1 18 . 1 1 87 87 GLY N N 517 105.720 105.720 106.381 -0.661 18053 11778 1 18 . 1 1 87 87 GLY C C 517 173.650 173.650 174.303 -0.653 18053 11779 1 18 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.077 0.937 18053 11780 1 18 . 1 1 87 87 GLY H H 517 7.779 7.779 8.392 -0.613 18053 11781 1 18 . 1 1 88 88 VAL N N 518 121.537 121.537 117.560 3.977 18053 11782 1 18 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.103 -0.518 18053 11783 1 18 . 1 1 88 88 VAL C C 518 174.851 174.851 174.545 0.306 18053 11784 1 18 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.511 0.763 18053 11785 1 18 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.375 0.001 18053 11786 1 18 . 1 1 88 88 VAL H H 518 7.499 7.499 7.510 -0.011 18053 11787 1 18 . 1 1 89 89 ALA N N 519 128.295 128.295 128.668 -0.373 18053 11788 1 18 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.568 -0.376 18053 11789 1 18 . 1 1 89 89 ALA C C 519 176.680 176.680 176.486 0.194 18053 11790 1 18 . 1 1 89 89 ALA CA C 519 51.283 51.283 50.808 0.475 18053 11791 1 18 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.698 -0.406 18053 11792 1 18 . 1 1 89 89 ALA H H 519 7.960 7.960 8.143 -0.183 18053 11793 1 18 . 1 1 90 90 HIS N N 520 122.643 122.643 124.371 -1.728 18053 11794 1 18 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.412 -0.379 18053 11795 1 18 . 1 1 90 90 HIS C C 520 175.793 175.793 174.410 1.383 18053 11796 1 18 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.366 2.287 18053 11797 1 18 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.623 2.662 18053 11798 1 18 . 1 1 90 90 HIS H H 520 8.394 8.394 8.895 -0.501 18053 11799 1 18 . 1 1 91 91 SER N N 521 121.247 121.247 123.475 -2.228 18053 11800 1 18 . 1 1 91 91 SER HA H 521 4.629 4.629 4.702 -0.073 18053 11801 1 18 . 1 1 91 91 SER CA C 521 55.843 55.843 55.948 -0.105 18053 11802 1 18 . 1 1 91 91 SER CB C 521 62.367 62.367 63.360 -0.993 18053 11803 1 18 . 1 1 91 91 SER H H 521 8.569 8.569 8.339 0.230 18053 11804 1 18 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.780 -0.778 18053 11805 1 18 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.406 -0.162 18053 11806 1 18 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.430 -0.499 18053 11807 1 18 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.766 -0.094 18053 11808 1 18 . 1 1 93 93 PRO C C 523 177.786 177.786 177.727 0.059 18053 11809 1 18 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.202 -0.199 18053 11810 1 18 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.547 2.358 18053 11811 1 18 . 1 1 94 94 SER N N 524 117.212 117.212 115.210 2.002 18053 11812 1 18 . 1 1 94 94 SER HA H 524 4.678 4.678 4.367 0.311 18053 11813 1 18 . 1 1 94 94 SER C C 524 174.851 174.851 174.513 0.338 18053 11814 1 18 . 1 1 94 94 SER CA C 524 61.874 61.874 61.137 0.737 18053 11815 1 18 . 1 1 94 94 SER CB C 524 64.057 64.057 63.522 0.535 18053 11816 1 18 . 1 1 94 94 SER H H 524 8.463 8.463 8.324 0.139 18053 11817 1 18 . 1 1 95 95 THR N N 525 121.588 121.588 118.617 2.971 18053 11818 1 18 . 1 1 95 95 THR HA H 525 4.859 4.859 5.106 -0.247 18053 11819 1 18 . 1 1 95 95 THR C C 525 172.094 172.094 173.178 -1.084 18053 11820 1 18 . 1 1 95 95 THR CA C 525 62.309 62.309 61.578 0.731 18053 11821 1 18 . 1 1 95 95 THR CB C 525 70.281 70.281 69.564 0.717 18053 11822 1 18 . 1 1 95 95 THR H H 525 7.631 7.631 7.824 -0.193 18053 11823 1 18 . 1 1 96 96 LEU N N 526 127.274 127.274 128.059 -0.785 18053 11824 1 18 . 1 1 96 96 LEU HA H 526 5.131 5.131 5.091 0.040 18053 11825 1 18 . 1 1 96 96 LEU C C 526 175.916 175.916 175.736 0.180 18053 11826 1 18 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.309 -2.233 18053 11827 1 18 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.751 0.039 18053 11828 1 18 . 1 1 96 96 LEU H H 526 8.977 8.977 8.348 0.629 18053 11829 1 18 . 1 1 97 97 VAL N N 527 124.056 124.056 119.053 5.003 18053 11830 1 18 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.797 0.072 18053 11831 1 18 . 1 1 97 97 VAL C C 527 176.230 176.230 175.525 0.705 18053 11832 1 18 . 1 1 97 97 VAL CA C 527 61.519 61.519 60.892 0.627 18053 11833 1 18 . 1 1 97 97 VAL CB C 527 33.704 33.704 34.971 -1.267 18053 11834 1 18 . 1 1 97 97 VAL H H 527 10.724 10.724 8.171 2.553 18053 11835 1 18 . 1 1 98 98 TRP N N 528 132.586 132.586 130.507 2.079 18053 11836 1 18 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.658 0.307 18053 11837 1 18 . 1 1 98 98 TRP C C 528 173.391 173.391 174.832 -1.441 18053 11838 1 18 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.461 -2.158 18053 11839 1 18 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.420 -0.175 18053 11840 1 18 . 1 1 98 98 TRP H H 528 9.400 9.400 9.267 0.133 18053 11841 1 18 . 1 1 99 99 LYS N N 529 126.644 126.644 127.632 -0.988 18053 11842 1 18 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.181 -0.342 18053 11843 1 18 . 1 1 99 99 LYS C C 529 177.581 177.581 177.324 0.257 18053 11844 1 18 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.368 1.175 18053 11845 1 18 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.629 -0.453 18053 11846 1 18 . 1 1 99 99 LYS H H 529 8.153 8.153 8.062 0.091 18053 11847 1 18 . 1 1 100 100 GLY N N 530 110.385 110.385 113.525 -3.140 18053 11848 1 18 . 1 1 100 100 GLY C C 530 172.367 172.367 173.712 -1.345 18053 11849 1 18 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.906 0.372 18053 11850 1 18 . 1 1 100 100 GLY H H 530 8.363 8.363 8.661 -0.298 18053 11851 1 18 . 1 1 101 101 GLN N N 531 121.162 121.162 121.505 -0.343 18053 11852 1 18 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.411 -0.439 18053 11853 1 18 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.414 -1.794 18053 11854 1 18 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.614 -1.019 18053 11855 1 18 . 1 1 101 101 GLN H H 531 6.815 6.815 7.487 -0.672 18053 11856 1 18 . 1 1 102 102 SER N N 532 122.728 122.728 122.234 0.494 18053 11857 1 18 . 1 1 102 102 SER HA H 532 3.866 3.866 4.644 -0.778 18053 11858 1 18 . 1 1 102 102 SER C C 532 174.537 174.537 175.638 -1.101 18053 11859 1 18 . 1 1 102 102 SER CA C 532 61.983 61.983 59.994 1.989 18053 11860 1 18 . 1 1 102 102 SER CB C 532 62.802 62.802 63.294 -0.492 18053 11861 1 18 . 1 1 102 102 SER H H 532 8.662 8.662 8.994 -0.332 18053 11862 1 18 . 1 1 103 103 SER N N 533 110.811 110.811 116.569 -5.758 18053 11863 1 18 . 1 1 103 103 SER HA H 533 4.240 4.240 4.579 -0.339 18053 11864 1 18 . 1 1 103 103 SER C C 533 174.087 174.087 174.334 -0.247 18053 11865 1 18 . 1 1 103 103 SER CA C 533 56.633 56.633 58.992 -2.359 18053 11866 1 18 . 1 1 103 103 SER CB C 533 64.658 64.658 64.300 0.358 18053 11867 1 18 . 1 1 103 103 SER H H 533 7.134 7.134 7.792 -0.658 18053 11868 1 18 . 1 1 104 104 TRP N N 534 126.133 126.133 120.942 5.191 18053 11869 1 18 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.128 -0.030 18053 11870 1 18 . 1 1 104 104 TRP C C 534 176.066 176.066 175.184 0.882 18053 11871 1 18 . 1 1 104 104 TRP CA C 534 60.127 60.127 58.382 1.745 18053 11872 1 18 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.650 0.114 18053 11873 1 18 . 1 1 104 104 TRP H H 534 9.764 9.764 7.554 2.210 18053 11874 1 18 . 1 1 105 105 GLY N N 535 105.907 105.907 105.906 0.001 18053 11875 1 18 . 1 1 105 105 GLY C C 535 172.217 172.217 174.279 -2.062 18053 11876 1 18 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.871 -0.631 18053 11877 1 18 . 1 1 105 105 GLY H H 535 8.095 8.095 7.505 0.590 18053 11878 1 18 . 1 1 106 106 THR N N 536 111.253 111.253 113.620 -2.367 18053 11879 1 18 . 1 1 106 106 THR HA H 536 3.859 3.859 4.699 -0.840 18053 11880 1 18 . 1 1 106 106 THR C C 536 172.872 172.872 174.270 -1.398 18053 11881 1 18 . 1 1 106 106 THR CA C 536 59.635 59.635 61.736 -2.101 18053 11882 1 18 . 1 1 106 106 THR CB C 536 70.526 70.526 69.612 0.914 18053 11883 1 18 . 1 1 106 106 THR H H 536 7.913 7.913 7.920 -0.007 18053 11884 1 18 . 1 1 107 107 GLY N N 537 107.712 107.712 109.024 -1.312 18053 11885 1 18 . 1 1 107 107 GLY C C 537 172.709 172.709 172.893 -0.184 18053 11886 1 18 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.163 0.004 18053 11887 1 18 . 1 1 107 107 GLY H H 537 7.533 7.533 8.286 -0.753 18053 11888 1 18 . 1 1 108 108 GLU N N 538 118.864 118.864 119.598 -0.734 18053 11889 1 18 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.272 -0.136 18053 11890 1 18 . 1 1 108 108 GLU C C 538 176.353 176.353 175.276 1.077 18053 11891 1 18 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.657 0.695 18053 11892 1 18 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.192 -0.036 18053 11893 1 18 . 1 1 108 108 GLU H H 538 8.558 8.558 8.835 -0.277 18053 11894 1 18 . 1 1 109 109 SER N N 539 110.419 110.419 112.490 -2.071 18053 11895 1 18 . 1 1 109 109 SER HA H 539 4.963 4.963 4.547 0.416 18053 11896 1 18 . 1 1 109 109 SER C C 539 173.787 173.787 172.899 0.888 18053 11897 1 18 . 1 1 109 109 SER CA C 539 57.125 57.125 57.651 -0.526 18053 11898 1 18 . 1 1 109 109 SER CB C 539 64.439 64.439 64.642 -0.203 18053 11899 1 18 . 1 1 109 109 SER H H 539 7.620 7.620 7.688 -0.068 18053 11900 1 18 . 1 1 110 110 PHE N N 540 118.778 118.778 119.216 -0.438 18053 11901 1 18 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.070 0.011 18053 11902 1 18 . 1 1 110 110 PHE C C 540 176.052 176.052 172.910 3.142 18053 11903 1 18 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.976 -0.187 18053 11904 1 18 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.373 -0.613 18053 11905 1 18 . 1 1 110 110 PHE H H 540 8.318 8.318 8.156 0.162 18053 11906 1 18 . 1 1 112 112 THR HA H 542 5.468 5.468 5.161 0.307 18053 11907 1 18 . 1 1 112 112 THR C C 542 172.381 172.381 173.469 -1.088 18053 11908 1 18 . 1 1 112 112 THR CA C 542 61.818 61.818 62.151 -0.334 18053 11909 1 18 . 1 1 112 112 THR CB C 542 70.990 70.990 70.689 0.301 18053 11910 1 18 . 1 1 113 113 VAL N N 543 124.771 124.771 126.813 -2.042 18053 11911 1 18 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.521 0.343 18053 11912 1 18 . 1 1 113 113 VAL C C 543 173.132 173.132 173.877 -0.745 18053 11913 1 18 . 1 1 113 113 VAL CA C 543 60.099 60.099 60.658 -0.559 18053 11914 1 18 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.742 1.691 18053 11915 1 18 . 1 1 113 113 VAL H H 543 9.380 9.380 8.999 0.381 18053 11916 1 18 . 1 1 114 114 LEU N N 544 128.789 128.789 127.116 1.673 18053 11917 1 18 . 1 1 114 114 LEU HA H 544 5.320 5.320 5.248 0.072 18053 11918 1 18 . 1 1 114 114 LEU C C 544 174.237 174.237 174.662 -0.425 18053 11919 1 18 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.696 -0.503 18053 11920 1 18 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.769 1.110 18053 11921 1 18 . 1 1 114 114 LEU H H 544 8.948 8.948 8.680 0.268 18053 11922 1 18 . 1 1 115 115 VAL N N 545 127.002 127.002 127.221 -0.219 18053 11923 1 18 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.598 0.256 18053 11924 1 18 . 1 1 115 115 VAL C C 545 175.206 175.206 173.696 1.510 18053 11925 1 18 . 1 1 115 115 VAL CA C 545 59.334 59.334 59.708 -0.374 18053 11926 1 18 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.405 0.090 18053 11927 1 18 . 1 1 115 115 VAL H H 545 9.564 9.564 8.843 0.721 18053 11928 1 18 . 1 1 116 116 ASN N N 546 121.179 121.179 124.724 -3.545 18053 11929 1 18 . 1 1 116 116 ASN HA H 546 2.897 2.897 4.148 -1.251 18053 11930 1 18 . 1 1 116 116 ASN C C 546 176.885 176.885 175.136 1.749 18053 11931 1 18 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.253 -0.844 18053 11932 1 18 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.323 -2.684 18053 11933 1 18 . 1 1 116 116 ASN H H 546 8.016 8.016 8.180 -0.164 18053 11934 1 18 . 1 1 117 117 ALA N N 547 119.834 119.834 121.081 -1.247 18053 11935 1 18 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.104 -0.238 18053 11936 1 18 . 1 1 117 117 ALA C C 547 177.772 177.772 177.922 -0.150 18053 11937 1 18 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.062 0.442 18053 11938 1 18 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.427 -0.227 18053 11939 1 18 . 1 1 117 117 ALA H H 547 6.444 6.444 8.453 -2.009 18053 11940 1 18 . 1 1 118 118 ASP N N 548 115.646 115.646 117.920 -2.274 18053 11941 1 18 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.500 0.144 18053 11942 1 18 . 1 1 118 118 ASP C C 548 176.052 176.052 177.558 -1.506 18053 11943 1 18 . 1 1 118 118 ASP CA C 548 54.067 54.067 54.837 -0.770 18053 11944 1 18 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.060 0.614 18053 11945 1 18 . 1 1 118 118 ASP H H 548 7.181 7.181 8.033 -0.852 18053 11946 1 18 . 1 1 119 119 GLY N N 549 107.167 107.167 107.747 -0.580 18053 11947 1 18 . 1 1 119 119 GLY C C 549 173.841 173.841 173.380 0.461 18053 11948 1 18 . 1 1 119 119 GLY CA C 549 45.455 45.455 45.241 0.214 18053 11949 1 18 . 1 1 119 119 GLY H H 549 7.738 7.738 7.749 -0.011 18053 11950 1 18 . 1 1 120 120 GLU N N 550 121.196 121.196 119.191 2.005 18053 11951 1 18 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.369 -0.257 18053 11952 1 18 . 1 1 120 120 GLU C C 550 175.588 175.588 175.479 0.109 18053 11953 1 18 . 1 1 120 120 GLU CA C 550 54.831 54.831 54.637 0.194 18053 11954 1 18 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.300 -0.363 18053 11955 1 18 . 1 1 120 120 GLU H H 550 7.587 7.587 7.999 -0.412 18053 11956 1 18 . 1 1 121 121 GLU N N 551 123.886 123.886 124.620 -0.734 18053 11957 1 18 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.181 0.095 18053 11958 1 18 . 1 1 121 121 GLU C C 551 176.817 176.817 176.351 0.466 18053 11959 1 18 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.890 -0.094 18053 11960 1 18 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.653 -0.698 18053 11961 1 18 . 1 1 121 121 GLU H H 551 8.697 8.697 8.785 -0.088 18053 11962 1 18 . 1 1 122 122 VAL N N 552 120.055 120.055 120.490 -0.435 18053 11963 1 18 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.127 0.237 18053 11964 1 18 . 1 1 122 122 VAL C C 552 175.998 175.998 174.976 1.022 18053 11965 1 18 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.137 -0.482 18053 11966 1 18 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.504 0.545 18053 11967 1 18 . 1 1 122 122 VAL H H 552 8.845 8.845 8.213 0.631 18053 11968 1 18 . 1 1 123 123 ALA N N 553 122.098 122.098 121.512 0.586 18053 11969 1 18 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.793 0.097 18053 11970 1 18 . 1 1 123 123 ALA C C 553 175.261 175.261 175.177 0.084 18053 11971 1 18 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.440 1.317 18053 11972 1 18 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.865 0.402 18053 11973 1 18 . 1 1 123 123 ALA H H 553 7.788 7.788 7.682 0.106 18053 11974 1 18 . 1 1 124 124 MET N N 554 118.217 118.217 120.656 -2.439 18053 11975 1 18 . 1 1 124 124 MET HA H 554 5.286 5.286 5.129 0.157 18053 11976 1 18 . 1 1 124 124 MET C C 554 174.428 174.428 173.965 0.463 18053 11977 1 18 . 1 1 124 124 MET CA C 554 55.104 55.104 55.666 -0.562 18053 11978 1 18 . 1 1 124 124 MET CB C 554 35.342 35.342 36.974 -1.632 18053 11979 1 18 . 1 1 124 124 MET H H 554 8.693 8.693 8.380 0.313 18053 11980 1 18 . 1 1 125 125 ARG N N 555 122.132 122.132 125.912 -3.780 18053 11981 1 18 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.771 0.129 18053 11982 1 18 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.642 0.745 18053 11983 1 18 . 1 1 125 125 ARG CB C 555 34.378 34.378 34.357 0.021 18053 11984 1 18 . 1 1 125 125 ARG H H 555 8.919 8.919 9.114 -0.195 18053 11985 1 18 . 1 1 126 126 THR HA H 556 4.685 4.685 4.431 0.254 18053 11986 1 18 . 1 1 126 126 THR C C 556 172.436 172.436 173.849 -1.413 18053 11987 1 18 . 1 1 126 126 THR CA C 556 61.382 61.382 62.914 -1.532 18053 11988 1 18 . 1 1 126 126 THR CB C 556 70.444 70.444 69.038 1.406 18053 11989 1 18 . 1 1 127 127 VAL N N 557 124.976 124.976 127.184 -2.208 18053 11990 1 18 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.204 -0.058 18053 11991 1 18 . 1 1 127 127 VAL C C 557 173.937 173.937 173.207 0.730 18053 11992 1 18 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.597 0.512 18053 11993 1 18 . 1 1 127 127 VAL CB C 557 33.759 33.759 34.991 -1.232 18053 11994 1 18 . 1 1 127 127 VAL H H 557 8.127 8.127 8.235 -0.108 18053 11995 1 18 . 1 1 128 128 LYS N N 558 125.384 125.384 123.416 1.968 18053 11996 1 18 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.200 0.505 18053 11997 1 18 . 1 1 128 128 LYS C C 558 175.534 175.534 174.986 0.548 18053 11998 1 18 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.388 1.498 18053 11999 1 18 . 1 1 128 128 LYS CB C 558 34.673 34.673 34.854 -0.181 18053 12000 1 18 . 1 1 128 128 LYS H H 558 8.289 8.289 8.096 0.193 18053 12001 1 18 . 1 1 129 129 LYS N N 559 124.005 124.005 125.352 -1.347 18053 12002 1 18 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.181 0.129 18053 12003 1 18 . 1 1 129 129 LYS C C 559 176.571 176.571 175.537 1.034 18053 12004 1 18 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.023 -0.281 18053 12005 1 18 . 1 1 129 129 LYS CB C 559 33.362 33.362 30.906 2.456 18053 12006 1 18 . 1 1 129 129 LYS H H 559 8.461 8.461 8.254 0.207 18053 12007 1 18 . 1 1 130 130 SER N N 560 117.195 117.195 119.532 -2.337 18053 12008 1 18 . 1 1 130 130 SER HA H 560 4.384 4.384 4.397 -0.013 18053 12009 1 18 . 1 1 130 130 SER C C 560 174.565 174.565 175.022 -0.457 18053 12010 1 18 . 1 1 130 130 SER CA C 560 58.434 58.434 59.250 -0.816 18053 12011 1 18 . 1 1 130 130 SER CB C 560 63.812 63.812 64.072 -0.260 18053 12012 1 18 . 1 1 130 130 SER H H 560 8.465 8.465 8.111 0.354 18053 12013 1 18 . 1 1 131 131 SER N N 561 118.149 118.149 119.307 -1.158 18053 12014 1 18 . 1 1 131 131 SER HA H 561 4.412 4.412 4.422 -0.010 18053 12015 1 18 . 1 1 131 131 SER C C 561 174.456 174.456 174.259 0.197 18053 12016 1 18 . 1 1 131 131 SER CA C 561 58.489 58.489 58.336 0.153 18053 12017 1 18 . 1 1 131 131 SER CB C 561 63.811 63.811 63.866 -0.055 18053 12018 1 18 . 1 1 131 131 SER H H 561 8.336 8.336 8.278 0.058 18053 12019 1 18 . 1 1 132 132 VAL N N 562 121.332 121.332 125.170 -3.838 18053 12020 1 18 . 1 1 132 132 VAL HA H 562 4.035 4.035 3.812 0.223 18053 12021 1 18 . 1 1 132 132 VAL C C 562 176.066 176.066 175.662 0.404 18053 12022 1 18 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.690 -1.244 18053 12023 1 18 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.454 -0.060 18053 12024 1 18 . 1 1 132 132 VAL H H 562 7.982 7.982 8.596 -0.614 18053 12025 1 18 . 1 1 133 133 MET N N 563 124.022 124.022 118.556 5.466 18053 12026 1 18 . 1 1 133 133 MET HA H 563 4.385 4.385 4.552 -0.167 18053 12027 1 18 . 1 1 133 133 MET C C 563 176.039 176.039 175.412 0.627 18053 12028 1 18 . 1 1 133 133 MET CA C 563 55.350 55.350 54.733 0.617 18053 12029 1 18 . 1 1 133 133 MET CB C 563 32.503 32.503 33.506 -1.003 18053 12030 1 18 . 1 1 133 133 MET H H 563 8.295 8.295 7.568 0.727 18053 12031 1 18 . 1 1 134 134 ARG N N 564 122.677 122.677 121.758 0.919 18053 12032 1 18 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.272 -0.010 18053 12033 1 18 . 1 1 134 134 ARG C C 564 176.298 176.298 176.180 0.118 18053 12034 1 18 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.307 -0.220 18053 12035 1 18 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.111 0.591 18053 12036 1 18 . 1 1 134 134 ARG H H 564 8.295 8.295 8.371 -0.076 18053 12037 1 18 . 1 1 135 135 GLU N N 565 121.945 121.945 125.574 -3.629 18053 12038 1 18 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.173 -0.013 18053 12039 1 18 . 1 1 135 135 GLU C C 565 176.080 176.080 176.070 0.010 18053 12040 1 18 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.614 0.292 18053 12041 1 18 . 1 1 135 135 GLU CB C 565 29.774 29.774 30.201 -0.427 18053 12042 1 18 . 1 1 135 135 GLU H H 565 8.470 8.470 8.645 -0.175 18053 12043 1 18 . 1 1 136 136 ASN N N 566 118.761 118.761 124.521 -5.760 18053 12044 1 18 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.672 -0.055 18053 12045 1 18 . 1 1 136 136 ASN C C 566 175.315 175.315 174.626 0.689 18053 12046 1 18 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.603 -0.410 18053 12047 1 18 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.801 0.035 18053 12048 1 18 . 1 1 136 136 ASN H H 566 8.341 8.341 8.579 -0.238 18053 12049 1 18 . 1 1 137 137 GLU N N 567 121.349 121.349 126.982 -5.633 18053 12050 1 18 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.414 -0.262 18053 12051 1 18 . 1 1 137 137 GLU C C 567 176.243 176.243 175.705 0.538 18053 12052 1 18 . 1 1 137 137 GLU CA C 567 56.906 56.906 56.194 0.711 18053 12053 1 18 . 1 1 137 137 GLU CB C 567 29.992 29.992 31.052 -1.060 18053 12054 1 18 . 1 1 137 137 GLU H H 567 8.349 8.349 8.539 -0.190 18053 12055 1 18 . 1 1 138 138 ASN N N 568 118.761 118.761 120.674 -1.913 18053 12056 1 18 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.581 0.131 18053 12057 1 18 . 1 1 138 138 ASN C C 568 174.551 174.551 174.598 -0.047 18053 12058 1 18 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.950 -0.757 18053 12059 1 18 . 1 1 138 138 ASN CB C 568 39.327 39.327 37.865 1.462 18053 12060 1 18 . 1 1 138 138 ASN H H 568 8.397 8.397 8.531 -0.134 18053 12061 1 19 . 1 1 20 20 ALA N N 450 125.180 125.180 125.171 0.009 18053 12062 1 19 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.236 0.470 18053 12063 1 19 . 1 1 20 20 ALA C C 450 177.226 177.226 177.069 0.157 18053 12064 1 19 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.725 0.032 18053 12065 1 19 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.284 2.127 18053 12066 1 19 . 1 1 20 20 ALA H H 450 8.484 8.484 8.503 -0.019 18053 12067 1 19 . 1 1 21 21 SER N N 451 115.714 115.714 121.102 -5.388 18053 12068 1 19 . 1 1 21 21 SER HA H 451 4.513 4.513 4.636 -0.123 18053 12069 1 19 . 1 1 21 21 SER C C 451 174.742 174.742 175.064 -0.322 18053 12070 1 19 . 1 1 21 21 SER CA C 451 58.516 58.516 57.335 1.181 18053 12071 1 19 . 1 1 21 21 SER CB C 451 64.159 64.159 62.879 1.280 18053 12072 1 19 . 1 1 21 21 SER H H 451 8.487 8.487 8.042 0.445 18053 12073 1 19 . 1 1 22 22 GLY N N 452 111.509 111.509 115.035 -3.526 18053 12074 1 19 . 1 1 22 22 GLY C C 452 174.401 174.401 174.825 -0.424 18053 12075 1 19 . 1 1 22 22 GLY CA C 452 45.059 45.059 47.033 -1.974 18053 12076 1 19 . 1 1 22 22 GLY H H 452 8.198 8.198 8.708 -0.510 18053 12077 1 19 . 1 1 23 23 SER N N 453 116.191 116.191 114.680 1.511 18053 12078 1 19 . 1 1 23 23 SER HA H 453 4.364 4.364 4.509 -0.145 18053 12079 1 19 . 1 1 23 23 SER C C 453 173.432 173.432 172.581 0.851 18053 12080 1 19 . 1 1 23 23 SER CA C 453 59.744 59.744 59.685 0.059 18053 12081 1 19 . 1 1 23 23 SER CB C 453 64.335 64.335 64.372 -0.037 18053 12082 1 19 . 1 1 23 23 SER H H 453 8.494 8.494 8.144 0.350 18053 12083 1 19 . 1 1 24 24 VAL N N 454 121.656 121.656 121.507 0.149 18053 12084 1 19 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.602 0.433 18053 12085 1 19 . 1 1 24 24 VAL C C 454 174.606 174.606 175.186 -0.580 18053 12086 1 19 . 1 1 24 24 VAL CA C 454 61.055 61.055 60.849 0.206 18053 12087 1 19 . 1 1 24 24 VAL CB C 454 32.503 32.503 34.426 -1.923 18053 12088 1 19 . 1 1 24 24 VAL H H 454 7.830 7.830 7.807 0.023 18053 12089 1 19 . 1 1 25 25 SER N N 455 119.323 119.323 119.318 0.005 18053 12090 1 19 . 1 1 25 25 SER HA H 455 4.672 4.672 4.878 -0.206 18053 12091 1 19 . 1 1 25 25 SER C C 455 174.426 174.426 173.805 0.621 18053 12092 1 19 . 1 1 25 25 SER CA C 455 55.268 55.268 56.173 -0.905 18053 12093 1 19 . 1 1 25 25 SER CB C 455 65.162 65.162 66.267 -1.105 18053 12094 1 19 . 1 1 25 25 SER H H 455 9.065 9.065 8.600 0.465 18053 12095 1 19 . 1 1 26 26 ILE N N 456 119.468 119.468 121.616 -2.148 18053 12096 1 19 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.249 -0.069 18053 12097 1 19 . 1 1 26 26 ILE C C 456 175.506 175.506 176.482 -0.976 18053 12098 1 19 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.638 -0.310 18053 12099 1 19 . 1 1 26 26 ILE CB C 456 37.962 37.962 36.926 1.036 18053 12100 1 19 . 1 1 26 26 ILE H H 456 8.295 8.295 8.623 -0.328 18053 12101 1 19 . 1 1 27 27 GLU N N 457 129.726 129.726 129.827 -0.101 18053 12102 1 19 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.189 0.039 18053 12103 1 19 . 1 1 27 27 GLU C C 457 175.179 175.179 176.263 -1.084 18053 12104 1 19 . 1 1 27 27 GLU CA C 457 55.432 55.432 58.678 -3.245 18053 12105 1 19 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.602 -0.459 18053 12106 1 19 . 1 1 27 27 GLU H H 457 8.393 8.393 8.584 -0.191 18053 12107 1 19 . 1 1 28 28 GLU N N 458 117.076 117.076 115.296 1.780 18053 12108 1 19 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.668 -0.500 18053 12109 1 19 . 1 1 28 28 GLU C C 458 174.701 174.701 174.501 0.200 18053 12110 1 19 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.428 1.478 18053 12111 1 19 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.081 -2.232 18053 12112 1 19 . 1 1 28 28 GLU H H 458 7.489 7.489 7.902 -0.413 18053 12113 1 19 . 1 1 29 29 ILE N N 459 122.183 122.183 119.786 2.397 18053 12114 1 19 . 1 1 29 29 ILE HA H 459 3.764 3.764 3.971 -0.207 18053 12115 1 19 . 1 1 29 29 ILE C C 459 174.169 174.169 174.702 -0.533 18053 12116 1 19 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.362 0.164 18053 12117 1 19 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.265 -0.956 18053 12118 1 19 . 1 1 29 29 ILE H H 459 8.126 8.126 8.271 -0.145 18053 12119 1 19 . 1 1 30 30 ASP N N 460 123.205 123.205 124.157 -0.952 18053 12120 1 19 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.199 -0.016 18053 12121 1 19 . 1 1 30 30 ASP C C 460 178.318 178.318 177.793 0.525 18053 12122 1 19 . 1 1 30 30 ASP CA C 460 53.930 53.930 54.050 -0.119 18053 12123 1 19 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.238 0.569 18053 12124 1 19 . 1 1 30 30 ASP H H 460 6.704 6.704 7.349 -0.645 18053 12125 1 19 . 1 1 31 31 LEU N N 461 128.551 128.551 122.863 5.688 18053 12126 1 19 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.181 -0.117 18053 12127 1 19 . 1 1 31 31 LEU C C 461 177.513 177.513 178.521 -1.008 18053 12128 1 19 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.959 0.165 18053 12129 1 19 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.501 -0.264 18053 12130 1 19 . 1 1 31 31 LEU H H 461 9.012 9.012 8.435 0.577 18053 12131 1 19 . 1 1 32 32 GLU N N 462 115.101 115.101 119.208 -4.107 18053 12132 1 19 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.494 -0.211 18053 12133 1 19 . 1 1 32 32 GLU C C 462 177.062 177.062 177.133 -0.071 18053 12134 1 19 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.086 -1.327 18053 12135 1 19 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.604 -1.035 18053 12136 1 19 . 1 1 32 32 GLU H H 462 7.588 7.588 8.252 -0.664 18053 12137 1 19 . 1 1 33 33 GLY N N 463 106.299 106.299 105.793 0.506 18053 12138 1 19 . 1 1 33 33 GLY C C 463 174.824 174.824 175.140 -0.316 18053 12139 1 19 . 1 1 33 33 GLY CA C 463 46.806 46.806 44.676 2.130 18053 12140 1 19 . 1 1 33 33 GLY H H 463 7.372 7.372 8.026 -0.654 18053 12141 1 19 . 1 1 34 34 LYS N N 464 118.744 118.744 119.180 -0.436 18053 12142 1 19 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.266 0.296 18053 12143 1 19 . 1 1 34 34 LYS C C 464 177.076 177.076 175.521 1.555 18053 12144 1 19 . 1 1 34 34 LYS CA C 464 59.963 59.963 58.275 1.688 18053 12145 1 19 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.294 -0.183 18053 12146 1 19 . 1 1 34 34 LYS H H 464 9.547 9.547 8.208 1.339 18053 12147 1 19 . 1 1 35 35 PHE N N 465 109.125 109.125 112.052 -2.927 18053 12148 1 19 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.353 0.161 18053 12149 1 19 . 1 1 35 35 PHE C C 465 174.183 174.183 172.865 1.318 18053 12150 1 19 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.271 1.361 18053 12151 1 19 . 1 1 35 35 PHE CB C 465 40.599 40.599 41.137 -0.538 18053 12152 1 19 . 1 1 35 35 PHE H H 465 6.740 6.740 7.038 -0.298 18053 12153 1 19 . 1 1 36 36 VAL N N 466 119.579 119.579 119.854 -0.275 18053 12154 1 19 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.188 -0.479 18053 12155 1 19 . 1 1 36 36 VAL C C 466 172.668 172.668 174.470 -1.802 18053 12156 1 19 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.356 1.336 18053 12157 1 19 . 1 1 36 36 VAL CB C 466 36.215 36.215 33.950 2.265 18053 12158 1 19 . 1 1 36 36 VAL H H 466 7.628 7.628 8.943 -1.315 18053 12159 1 19 . 1 1 37 37 GLN N N 467 126.831 126.831 127.780 -0.949 18053 12160 1 19 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.826 0.623 18053 12161 1 19 . 1 1 37 37 GLN C C 467 174.797 174.797 174.923 -0.126 18053 12162 1 19 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.873 -0.752 18053 12163 1 19 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.545 5.078 18053 12164 1 19 . 1 1 37 37 GLN H H 467 8.392 8.392 8.499 -0.107 18053 12165 1 19 . 1 1 38 38 LEU N N 468 123.018 123.018 129.067 -6.049 18053 12166 1 19 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.222 0.200 18053 12167 1 19 . 1 1 38 38 LEU C C 468 175.588 175.588 175.286 0.302 18053 12168 1 19 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.747 -1.045 18053 12169 1 19 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.748 0.298 18053 12170 1 19 . 1 1 38 38 LEU H H 468 9.103 9.103 8.950 0.153 18053 12171 1 19 . 1 1 39 39 LYS N N 469 118.983 118.983 122.726 -3.743 18053 12172 1 19 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.890 -0.038 18053 12173 1 19 . 1 1 39 39 LYS C C 469 173.309 173.309 174.930 -1.621 18053 12174 1 19 . 1 1 39 39 LYS CA C 469 54.994 54.994 53.823 1.171 18053 12175 1 19 . 1 1 39 39 LYS CB C 469 38.246 38.246 35.889 2.357 18053 12176 1 19 . 1 1 39 39 LYS H H 469 8.496 8.496 8.625 -0.129 18053 12177 1 19 . 1 1 40 40 ASN N N 470 121.758 121.758 124.533 -2.775 18053 12178 1 19 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.623 0.165 18053 12179 1 19 . 1 1 40 40 ASN C C 470 174.496 174.496 174.811 -0.315 18053 12180 1 19 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.928 -1.809 18053 12181 1 19 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.354 -1.795 18053 12182 1 19 . 1 1 40 40 ASN H H 470 8.283 8.283 8.728 -0.445 18053 12183 1 19 . 1 1 41 41 ASN N N 471 122.422 122.422 124.201 -1.779 18053 12184 1 19 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.788 -0.200 18053 12185 1 19 . 1 1 41 41 ASN C C 471 174.810 174.810 174.312 0.498 18053 12186 1 19 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.236 0.749 18053 12187 1 19 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.316 0.284 18053 12188 1 19 . 1 1 41 41 ASN H H 471 8.681 8.681 8.463 0.218 18053 12189 1 19 . 1 1 42 42 SER N N 472 116.446 116.446 116.087 0.359 18053 12190 1 19 . 1 1 42 42 SER HA H 472 4.719 4.719 4.557 0.162 18053 12191 1 19 . 1 1 42 42 SER C C 472 172.804 172.804 174.520 -1.716 18053 12192 1 19 . 1 1 42 42 SER CA C 472 57.288 57.288 58.411 -1.123 18053 12193 1 19 . 1 1 42 42 SER CB C 472 66.241 66.241 64.727 1.514 18053 12194 1 19 . 1 1 42 42 SER H H 472 8.370 8.370 7.427 0.943 18053 12195 1 19 . 1 1 43 43 ASP N N 473 117.706 117.706 122.279 -4.573 18053 12196 1 19 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.572 -0.098 18053 12197 1 19 . 1 1 43 43 ASP C C 473 175.343 175.343 175.394 -0.051 18053 12198 1 19 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.999 -2.478 18053 12199 1 19 . 1 1 43 43 ASP CB C 473 40.322 40.322 41.064 -0.742 18053 12200 1 19 . 1 1 43 43 ASP H H 473 8.254 8.254 8.827 -0.573 18053 12201 1 19 . 1 1 44 44 LYS N N 474 120.209 120.209 117.344 2.865 18053 12202 1 19 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.431 0.138 18053 12203 1 19 . 1 1 44 44 LYS C C 474 175.397 175.397 174.466 0.931 18053 12204 1 19 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.047 -0.035 18053 12205 1 19 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.684 0.699 18053 12206 1 19 . 1 1 44 44 LYS H H 474 8.305 8.305 7.503 0.802 18053 12207 1 19 . 1 1 45 45 ASP N N 475 124.993 124.993 118.228 6.765 18053 12208 1 19 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.401 -0.426 18053 12209 1 19 . 1 1 45 45 ASP C C 475 174.810 174.810 175.785 -0.975 18053 12210 1 19 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.277 0.718 18053 12211 1 19 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.333 0.031 18053 12212 1 19 . 1 1 45 45 ASP H H 475 8.722 8.722 8.332 0.390 18053 12213 1 19 . 1 1 46 46 GLN N N 476 120.549 120.549 124.987 -4.438 18053 12214 1 19 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.357 0.079 18053 12215 1 19 . 1 1 46 46 GLN C C 476 174.019 174.019 174.976 -0.957 18053 12216 1 19 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.618 -1.480 18053 12217 1 19 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.440 2.026 18053 12218 1 19 . 1 1 46 46 GLN H H 476 7.878 7.878 8.326 -0.448 18053 12219 1 19 . 1 1 47 47 SER N N 477 121.537 121.537 121.895 -0.358 18053 12220 1 19 . 1 1 47 47 SER HA H 477 4.229 4.229 4.235 -0.006 18053 12221 1 19 . 1 1 47 47 SER C C 477 174.565 174.565 173.872 0.693 18053 12222 1 19 . 1 1 47 47 SER CA C 477 58.706 58.706 58.948 -0.242 18053 12223 1 19 . 1 1 47 47 SER CB C 477 62.965 62.965 62.939 0.026 18053 12224 1 19 . 1 1 47 47 SER H H 477 8.748 8.748 8.582 0.166 18053 12225 1 19 . 1 1 48 48 LEU N N 478 127.751 127.751 125.856 1.895 18053 12226 1 19 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.372 -1.741 18053 12227 1 19 . 1 1 48 48 LEU C C 478 176.789 176.789 176.300 0.489 18053 12228 1 19 . 1 1 48 48 LEU CA C 478 52.102 52.102 53.749 -1.647 18053 12229 1 19 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.703 -1.360 18053 12230 1 19 . 1 1 48 48 LEU H H 478 7.856 7.856 7.991 -0.135 18053 12231 1 19 . 1 1 49 49 GLY N N 479 107.525 107.525 106.508 1.017 18053 12232 1 19 . 1 1 49 49 GLY C C 479 176.653 176.653 175.203 1.450 18053 12233 1 19 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.588 2.474 18053 12234 1 19 . 1 1 49 49 GLY H H 479 7.728 7.728 8.712 -0.984 18053 12235 1 19 . 1 1 50 50 ASN N N 480 117.059 117.059 120.397 -3.338 18053 12236 1 19 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.593 -0.338 18053 12237 1 19 . 1 1 50 50 ASN C C 480 174.961 174.961 175.539 -0.578 18053 12238 1 19 . 1 1 50 50 ASN CA C 480 56.360 56.360 53.897 2.463 18053 12239 1 19 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.749 -1.333 18053 12240 1 19 . 1 1 50 50 ASN H H 480 7.552 7.552 8.691 -1.139 18053 12241 1 19 . 1 1 51 51 TRP N N 481 122.166 122.166 121.251 0.915 18053 12242 1 19 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.673 -0.196 18053 12243 1 19 . 1 1 51 51 TRP C C 481 175.575 175.575 175.783 -0.208 18053 12244 1 19 . 1 1 51 51 TRP CA C 481 58.762 58.762 58.374 0.388 18053 12245 1 19 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.772 -1.731 18053 12246 1 19 . 1 1 51 51 TRP H H 481 8.914 8.914 8.144 0.770 18053 12247 1 19 . 1 1 52 52 ARG N N 482 116.480 116.480 118.597 -2.117 18053 12248 1 19 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.144 0.824 18053 12249 1 19 . 1 1 52 52 ARG C C 482 175.807 175.807 175.196 0.611 18053 12250 1 19 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.971 -0.850 18053 12251 1 19 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.263 1.861 18053 12252 1 19 . 1 1 52 52 ARG H H 482 9.147 9.147 9.051 0.096 18053 12253 1 19 . 1 1 53 53 ILE N N 483 119.579 119.579 125.995 -6.416 18053 12254 1 19 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.776 0.209 18053 12255 1 19 . 1 1 53 53 ILE C C 483 175.670 175.670 175.792 -0.122 18053 12256 1 19 . 1 1 53 53 ILE CA C 483 60.400 60.400 61.246 -0.846 18053 12257 1 19 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.396 1.831 18053 12258 1 19 . 1 1 53 53 ILE H H 483 9.000 9.000 8.864 0.136 18053 12259 1 19 . 1 1 54 54 LYS N N 484 124.737 124.737 127.918 -3.181 18053 12260 1 19 . 1 1 54 54 LYS HA H 484 5.463 5.463 5.024 0.439 18053 12261 1 19 . 1 1 54 54 LYS C C 484 175.575 175.575 176.099 -0.524 18053 12262 1 19 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.140 -1.527 18053 12263 1 19 . 1 1 54 54 LYS CB C 484 35.041 35.041 34.109 0.932 18053 12264 1 19 . 1 1 54 54 LYS H H 484 9.678 9.678 8.584 1.094 18053 12265 1 19 . 1 1 55 55 ARG N N 485 124.090 124.090 123.342 0.748 18053 12266 1 19 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.981 0.544 18053 12267 1 19 . 1 1 55 55 ARG C C 485 174.155 174.155 173.675 0.480 18053 12268 1 19 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.356 -1.453 18053 12269 1 19 . 1 1 55 55 ARG H H 485 9.314 9.314 8.924 0.390 18053 12270 1 19 . 1 1 56 56 GLN N N 486 126.576 126.576 128.327 -1.751 18053 12271 1 19 . 1 1 56 56 GLN HA H 486 4.842 4.842 5.261 -0.419 18053 12272 1 19 . 1 1 56 56 GLN C C 486 174.991 174.991 174.227 0.764 18053 12273 1 19 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.261 0.570 18053 12274 1 19 . 1 1 56 56 GLN CB C 486 31.465 31.465 31.489 -0.024 18053 12275 1 19 . 1 1 56 56 GLN H H 486 8.831 8.831 8.661 0.170 18053 12276 1 19 . 1 1 57 57 VAL N N 487 126.712 126.712 125.924 0.788 18053 12277 1 19 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.391 -0.125 18053 12278 1 19 . 1 1 57 57 VAL C C 487 175.916 175.916 177.489 -1.573 18053 12279 1 19 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.318 -0.498 18053 12280 1 19 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.395 0.408 18053 12281 1 19 . 1 1 57 57 VAL H H 487 8.786 8.786 8.737 0.049 18053 12282 1 19 . 1 1 58 58 LEU N N 488 127.274 127.274 126.771 0.503 18053 12283 1 19 . 1 1 58 58 LEU HA H 488 4.085 4.085 3.979 0.106 18053 12284 1 19 . 1 1 58 58 LEU C C 488 177.158 177.158 178.226 -1.068 18053 12285 1 19 . 1 1 58 58 LEU CA C 488 56.906 56.906 58.208 -1.302 18053 12286 1 19 . 1 1 58 58 LEU CB C 488 41.374 41.374 42.217 -0.843 18053 12287 1 19 . 1 1 58 58 LEU H H 488 8.316 8.316 8.739 -0.423 18053 12288 1 19 . 1 1 59 59 GLU N N 489 119.647 119.647 117.435 2.212 18053 12289 1 19 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.184 -0.072 18053 12290 1 19 . 1 1 59 59 GLU C C 489 176.230 176.230 176.867 -0.637 18053 12291 1 19 . 1 1 59 59 GLU CA C 489 57.015 57.015 58.061 -1.046 18053 12292 1 19 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.631 -1.482 18053 12293 1 19 . 1 1 59 59 GLU H H 489 8.636 8.636 8.667 -0.031 18053 12294 1 19 . 1 1 60 60 GLY N N 490 108.819 108.819 104.749 4.070 18053 12295 1 19 . 1 1 60 60 GLY C C 490 173.568 173.568 173.566 0.002 18053 12296 1 19 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.827 -0.054 18053 12297 1 19 . 1 1 60 60 GLY H H 490 8.160 8.160 7.586 0.574 18053 12298 1 19 . 1 1 61 61 GLU N N 491 121.009 121.009 123.419 -2.410 18053 12299 1 19 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.161 0.162 18053 12300 1 19 . 1 1 61 61 GLU C C 491 175.725 175.725 175.709 0.016 18053 12301 1 19 . 1 1 61 61 GLU CA C 491 56.196 56.196 56.736 -0.540 18053 12302 1 19 . 1 1 61 61 GLU CB C 491 30.865 30.865 28.763 2.102 18053 12303 1 19 . 1 1 61 61 GLU H H 491 8.320 8.320 8.377 -0.057 18053 12304 1 19 . 1 1 62 62 GLU N N 492 123.426 123.426 125.070 -1.644 18053 12305 1 19 . 1 1 62 62 GLU HA H 492 5.054 5.054 4.998 0.056 18053 12306 1 19 . 1 1 62 62 GLU C C 492 175.930 175.930 176.124 -0.194 18053 12307 1 19 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.014 0.636 18053 12308 1 19 . 1 1 62 62 GLU CB C 492 32.312 32.312 29.371 2.941 18053 12309 1 19 . 1 1 62 62 GLU H H 492 8.594 8.594 8.506 0.088 18053 12310 1 19 . 1 1 63 63 ILE N N 493 119.732 119.732 117.690 2.042 18053 12311 1 19 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.918 -0.130 18053 12312 1 19 . 1 1 63 63 ILE C C 493 174.647 174.647 174.270 0.377 18053 12313 1 19 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.486 0.695 18053 12314 1 19 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.303 -0.121 18053 12315 1 19 . 1 1 63 63 ILE H H 493 8.523 8.523 8.672 -0.149 18053 12316 1 19 . 1 1 64 64 ALA N N 494 122.166 122.166 122.706 -0.540 18053 12317 1 19 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.166 0.355 18053 12318 1 19 . 1 1 64 64 ALA C C 494 174.606 174.606 175.800 -1.194 18053 12319 1 19 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.832 -0.304 18053 12320 1 19 . 1 1 64 64 ALA CB C 494 22.239 22.239 21.281 0.958 18053 12321 1 19 . 1 1 64 64 ALA H H 494 8.741 8.741 8.409 0.332 18053 12322 1 19 . 1 1 65 65 TYR N N 495 126.729 126.729 126.287 0.442 18053 12323 1 19 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.831 -0.737 18053 12324 1 19 . 1 1 65 65 TYR C C 495 173.036 173.036 173.353 -0.317 18053 12325 1 19 . 1 1 65 65 TYR CA C 495 56.905 56.905 55.959 0.946 18053 12326 1 19 . 1 1 65 65 TYR CB C 495 40.269 40.269 39.477 0.792 18053 12327 1 19 . 1 1 65 65 TYR H H 495 8.462 8.462 8.606 -0.144 18053 12328 1 19 . 1 1 66 66 LYS N N 496 128.108 128.108 126.646 1.462 18053 12329 1 19 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.414 0.408 18053 12330 1 19 . 1 1 66 66 LYS C C 496 174.906 174.906 174.843 0.063 18053 12331 1 19 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.745 -1.006 18053 12332 1 19 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.771 1.011 18053 12333 1 19 . 1 1 66 66 LYS H H 496 7.010 7.010 7.558 -0.548 18053 12334 1 19 . 1 1 67 67 PHE N N 497 125.299 125.299 121.094 4.205 18053 12335 1 19 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.148 -0.216 18053 12336 1 19 . 1 1 67 67 PHE C C 497 177.990 177.990 175.953 2.037 18053 12337 1 19 . 1 1 67 67 PHE CA C 497 59.007 59.007 58.125 0.882 18053 12338 1 19 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.049 0.932 18053 12339 1 19 . 1 1 67 67 PHE H H 497 8.509 8.509 8.307 0.202 18053 12340 1 19 . 1 1 68 68 THR N N 498 116.191 116.191 112.207 3.984 18053 12341 1 19 . 1 1 68 68 THR HA H 498 4.417 4.417 4.654 -0.237 18053 12342 1 19 . 1 1 68 68 THR CA C 498 60.855 60.855 59.338 1.517 18053 12343 1 19 . 1 1 68 68 THR CB C 498 68.019 68.019 69.412 -1.393 18053 12344 1 19 . 1 1 68 68 THR H H 498 8.688 8.688 8.362 0.326 18053 12345 1 19 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.300 -0.352 18053 12346 1 19 . 1 1 69 69 PRO C C 499 177.444 177.444 176.945 0.499 18053 12347 1 19 . 1 1 69 69 PRO CA C 499 66.077 66.077 65.126 0.951 18053 12348 1 19 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.838 0.938 18053 12349 1 19 . 1 1 70 70 LYS N N 500 113.552 113.552 114.046 -0.494 18053 12350 1 19 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.203 0.182 18053 12351 1 19 . 1 1 70 70 LYS C C 500 176.325 176.325 176.620 -0.295 18053 12352 1 19 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.369 -1.374 18053 12353 1 19 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.919 -0.126 18053 12354 1 19 . 1 1 70 70 LYS H H 500 8.016 8.016 7.832 0.184 18053 12355 1 19 . 1 1 71 71 TYR N N 501 121.860 121.860 122.207 -0.347 18053 12356 1 19 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.300 -0.570 18053 12357 1 19 . 1 1 71 71 TYR C C 501 174.838 174.838 174.314 0.524 18053 12358 1 19 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.696 2.614 18053 12359 1 19 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.278 -0.497 18053 12360 1 19 . 1 1 71 71 TYR H H 501 7.460 7.460 7.765 -0.305 18053 12361 1 19 . 1 1 72 72 ILE N N 502 129.487 129.487 127.595 1.892 18053 12362 1 19 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.289 -0.361 18053 12363 1 19 . 1 1 72 72 ILE C C 502 172.968 172.968 173.517 -0.549 18053 12364 1 19 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.529 -0.221 18053 12365 1 19 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.492 -0.582 18053 12366 1 19 . 1 1 72 72 ILE H H 502 7.168 7.168 7.449 -0.281 18053 12367 1 19 . 1 1 73 73 LEU N N 503 128.278 128.278 128.227 0.051 18053 12368 1 19 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.463 0.030 18053 12369 1 19 . 1 1 73 73 LEU C C 503 175.834 175.834 175.228 0.606 18053 12370 1 19 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.955 -1.990 18053 12371 1 19 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.558 -1.010 18053 12372 1 19 . 1 1 73 73 LEU H H 503 8.483 8.483 8.331 0.152 18053 12373 1 19 . 1 1 74 74 ARG N N 504 129.589 129.589 124.961 4.628 18053 12374 1 19 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.197 -0.454 18053 12375 1 19 . 1 1 74 74 ARG C C 504 175.233 175.233 175.490 -0.257 18053 12376 1 19 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.550 1.301 18053 12377 1 19 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.730 -0.438 18053 12378 1 19 . 1 1 74 74 ARG H H 504 8.673 8.673 8.364 0.309 18053 12379 1 19 . 1 1 75 75 ALA N N 505 123.205 123.205 125.142 -1.937 18053 12380 1 19 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.108 -0.586 18053 12381 1 19 . 1 1 75 75 ALA C C 505 178.441 178.441 178.144 0.297 18053 12382 1 19 . 1 1 75 75 ALA CA C 505 53.794 53.794 52.992 0.802 18053 12383 1 19 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.161 0.749 18053 12384 1 19 . 1 1 75 75 ALA H H 505 8.564 8.564 8.426 0.138 18053 12385 1 19 . 1 1 76 76 GLY N N 506 112.241 112.241 113.188 -0.947 18053 12386 1 19 . 1 1 76 76 GLY C C 506 174.278 174.278 174.735 -0.457 18053 12387 1 19 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.064 1.661 18053 12388 1 19 . 1 1 76 76 GLY H H 506 7.381 7.381 8.598 -1.217 18053 12389 1 19 . 1 1 77 77 GLN N N 507 117.382 117.382 118.963 -1.581 18053 12390 1 19 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.548 -0.184 18053 12391 1 19 . 1 1 77 77 GLN C C 507 173.937 173.937 175.009 -1.072 18053 12392 1 19 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.971 -0.413 18053 12393 1 19 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.303 -0.230 18053 12394 1 19 . 1 1 77 77 GLN H H 507 7.996 7.996 7.803 0.193 18053 12395 1 19 . 1 1 78 78 MET N N 508 116.957 116.957 114.077 2.880 18053 12396 1 19 . 1 1 78 78 MET HA H 508 5.388 5.388 5.240 0.148 18053 12397 1 19 . 1 1 78 78 MET C C 508 175.807 175.807 174.193 1.614 18053 12398 1 19 . 1 1 78 78 MET CA C 508 54.067 54.067 54.748 -0.681 18053 12399 1 19 . 1 1 78 78 MET CB C 508 37.198 37.198 36.932 0.266 18053 12400 1 19 . 1 1 78 78 MET H H 508 8.092 8.092 8.389 -0.297 18053 12401 1 19 . 1 1 79 79 VAL N N 509 119.340 119.340 124.046 -4.706 18053 12402 1 19 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.631 0.325 18053 12403 1 19 . 1 1 79 79 VAL C C 509 172.217 172.217 174.737 -2.520 18053 12404 1 19 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.291 -0.820 18053 12405 1 19 . 1 1 79 79 VAL CB C 509 33.676 33.676 33.905 -0.229 18053 12406 1 19 . 1 1 79 79 VAL H H 509 8.534 8.534 8.798 -0.264 18053 12407 1 19 . 1 1 80 80 THR N N 510 124.533 124.533 126.421 -1.888 18053 12408 1 19 . 1 1 80 80 THR HA H 510 4.586 4.586 4.702 -0.116 18053 12409 1 19 . 1 1 80 80 THR C C 510 172.215 172.215 174.343 -2.128 18053 12410 1 19 . 1 1 80 80 THR CA C 510 62.119 62.119 62.424 -0.305 18053 12411 1 19 . 1 1 80 80 THR CB C 510 69.407 69.407 68.522 0.885 18053 12412 1 19 . 1 1 80 80 THR H H 510 8.301 8.301 8.706 -0.405 18053 12413 1 19 . 1 1 81 81 VAL N N 511 127.002 127.002 127.796 -0.794 18053 12414 1 19 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.675 -0.079 18053 12415 1 19 . 1 1 81 81 VAL C C 511 176.667 176.667 175.587 1.080 18053 12416 1 19 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.179 -0.797 18053 12417 1 19 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.125 -0.180 18053 12418 1 19 . 1 1 81 81 VAL H H 511 8.796 8.796 8.609 0.187 18053 12419 1 19 . 1 1 82 82 TRP N N 512 131.479 131.479 129.346 2.133 18053 12420 1 19 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.333 0.005 18053 12421 1 19 . 1 1 82 82 TRP C C 512 176.885 176.885 175.205 1.680 18053 12422 1 19 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.603 -0.161 18053 12423 1 19 . 1 1 82 82 TRP CB C 512 30.701 30.701 32.329 -1.628 18053 12424 1 19 . 1 1 82 82 TRP H H 512 9.924 9.924 8.402 1.522 18053 12425 1 19 . 1 1 83 83 ALA N N 513 123.954 123.954 121.169 2.785 18053 12426 1 19 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.752 -0.444 18053 12427 1 19 . 1 1 83 83 ALA C C 513 178.140 178.140 178.209 -0.069 18053 12428 1 19 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.858 1.353 18053 12429 1 19 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.183 -1.438 18053 12430 1 19 . 1 1 83 83 ALA H H 513 9.048 9.048 8.679 0.369 18053 12431 1 19 . 1 1 84 84 ALA N N 514 125.146 125.146 126.140 -0.994 18053 12432 1 19 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.088 -0.137 18053 12433 1 19 . 1 1 84 84 ALA C C 514 179.519 179.519 178.967 0.552 18053 12434 1 19 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.953 -0.149 18053 12435 1 19 . 1 1 84 84 ALA CB C 514 18.582 18.582 18.970 -0.388 18053 12436 1 19 . 1 1 84 84 ALA H H 514 8.341 8.341 8.300 0.041 18053 12437 1 19 . 1 1 85 85 GLY N N 515 103.388 103.388 105.245 -1.857 18053 12438 1 19 . 1 1 85 85 GLY C C 515 174.674 174.674 174.806 -0.132 18053 12439 1 19 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.362 0.516 18053 12440 1 19 . 1 1 85 85 GLY H H 515 7.996 7.996 7.970 0.026 18053 12441 1 19 . 1 1 86 86 ALA N N 516 120.140 120.140 123.666 -3.526 18053 12442 1 19 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.316 0.028 18053 12443 1 19 . 1 1 86 86 ALA C C 516 177.690 177.690 178.288 -0.598 18053 12444 1 19 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.523 0.616 18053 12445 1 19 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.815 0.732 18053 12446 1 19 . 1 1 86 86 ALA H H 516 7.474 7.474 7.354 0.120 18053 12447 1 19 . 1 1 87 87 GLY N N 517 105.720 105.720 107.282 -1.562 18053 12448 1 19 . 1 1 87 87 GLY C C 517 173.650 173.650 174.014 -0.364 18053 12449 1 19 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.069 0.945 18053 12450 1 19 . 1 1 87 87 GLY H H 517 7.779 7.779 7.949 -0.170 18053 12451 1 19 . 1 1 88 88 VAL N N 518 121.537 121.537 118.958 2.579 18053 12452 1 19 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.116 -0.531 18053 12453 1 19 . 1 1 88 88 VAL C C 518 174.851 174.851 174.946 -0.095 18053 12454 1 19 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.769 0.505 18053 12455 1 19 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.143 0.233 18053 12456 1 19 . 1 1 88 88 VAL H H 518 7.499 7.499 7.664 -0.165 18053 12457 1 19 . 1 1 89 89 ALA N N 519 128.295 128.295 129.262 -0.967 18053 12458 1 19 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.359 -0.167 18053 12459 1 19 . 1 1 89 89 ALA C C 519 176.680 176.680 176.470 0.210 18053 12460 1 19 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.547 -0.264 18053 12461 1 19 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.266 0.026 18053 12462 1 19 . 1 1 89 89 ALA H H 519 7.960 7.960 8.079 -0.119 18053 12463 1 19 . 1 1 90 90 HIS N N 520 122.643 122.643 123.745 -1.102 18053 12464 1 19 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.424 -0.391 18053 12465 1 19 . 1 1 90 90 HIS C C 520 175.793 175.793 174.335 1.458 18053 12466 1 19 . 1 1 90 90 HIS CA C 520 58.653 58.653 55.938 2.715 18053 12467 1 19 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.982 2.303 18053 12468 1 19 . 1 1 90 90 HIS H H 520 8.394 8.394 8.885 -0.491 18053 12469 1 19 . 1 1 91 91 SER N N 521 121.247 121.247 124.379 -3.132 18053 12470 1 19 . 1 1 91 91 SER HA H 521 4.629 4.629 4.862 -0.233 18053 12471 1 19 . 1 1 91 91 SER CA C 521 55.843 55.843 56.007 -0.164 18053 12472 1 19 . 1 1 91 91 SER CB C 521 62.367 62.367 63.672 -1.305 18053 12473 1 19 . 1 1 91 91 SER H H 521 8.569 8.569 8.260 0.309 18053 12474 1 19 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.847 -0.845 18053 12475 1 19 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.491 -0.247 18053 12476 1 19 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.576 -0.645 18053 12477 1 19 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.808 -0.136 18053 12478 1 19 . 1 1 93 93 PRO C C 523 177.786 177.786 177.965 -0.179 18053 12479 1 19 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.420 -0.417 18053 12480 1 19 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.232 2.673 18053 12481 1 19 . 1 1 94 94 SER N N 524 117.212 117.212 116.318 0.894 18053 12482 1 19 . 1 1 94 94 SER HA H 524 4.678 4.678 4.772 -0.094 18053 12483 1 19 . 1 1 94 94 SER C C 524 174.851 174.851 174.440 0.411 18053 12484 1 19 . 1 1 94 94 SER CA C 524 61.874 61.874 60.858 1.016 18053 12485 1 19 . 1 1 94 94 SER CB C 524 64.057 64.057 63.701 0.356 18053 12486 1 19 . 1 1 94 94 SER H H 524 8.463 8.463 8.389 0.074 18053 12487 1 19 . 1 1 95 95 THR N N 525 121.588 121.588 118.737 2.851 18053 12488 1 19 . 1 1 95 95 THR HA H 525 4.859 4.859 4.991 -0.132 18053 12489 1 19 . 1 1 95 95 THR C C 525 172.094 172.094 172.474 -0.380 18053 12490 1 19 . 1 1 95 95 THR CA C 525 62.309 62.309 61.954 0.355 18053 12491 1 19 . 1 1 95 95 THR CB C 525 70.281 70.281 70.124 0.157 18053 12492 1 19 . 1 1 95 95 THR H H 525 7.631 7.631 8.075 -0.444 18053 12493 1 19 . 1 1 96 96 LEU N N 526 127.274 127.274 131.278 -4.004 18053 12494 1 19 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.588 0.543 18053 12495 1 19 . 1 1 96 96 LEU C C 526 175.916 175.916 174.537 1.379 18053 12496 1 19 . 1 1 96 96 LEU CA C 526 52.075 52.075 53.196 -1.121 18053 12497 1 19 . 1 1 96 96 LEU CB C 526 43.790 43.790 44.407 -0.617 18053 12498 1 19 . 1 1 96 96 LEU H H 526 8.977 8.977 8.222 0.755 18053 12499 1 19 . 1 1 97 97 VAL N N 527 124.056 124.056 127.352 -3.296 18053 12500 1 19 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.229 0.640 18053 12501 1 19 . 1 1 97 97 VAL C C 527 176.230 176.230 175.297 0.933 18053 12502 1 19 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.843 -0.324 18053 12503 1 19 . 1 1 97 97 VAL CB C 527 33.704 33.704 31.983 1.721 18053 12504 1 19 . 1 1 97 97 VAL H H 527 10.724 10.724 7.175 3.549 18053 12505 1 19 . 1 1 98 98 TRP N N 528 132.586 132.586 131.564 1.022 18053 12506 1 19 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.041 0.924 18053 12507 1 19 . 1 1 98 98 TRP C C 528 173.391 173.391 174.423 -1.032 18053 12508 1 19 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.298 -1.995 18053 12509 1 19 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.310 -0.065 18053 12510 1 19 . 1 1 98 98 TRP H H 528 9.400 9.400 8.690 0.710 18053 12511 1 19 . 1 1 99 99 LYS N N 529 126.644 126.644 128.435 -1.791 18053 12512 1 19 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.102 -0.263 18053 12513 1 19 . 1 1 99 99 LYS C C 529 177.581 177.581 177.130 0.451 18053 12514 1 19 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.379 1.164 18053 12515 1 19 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.615 -0.439 18053 12516 1 19 . 1 1 99 99 LYS H H 529 8.153 8.153 8.007 0.146 18053 12517 1 19 . 1 1 100 100 GLY N N 530 110.385 110.385 113.640 -3.255 18053 12518 1 19 . 1 1 100 100 GLY C C 530 172.367 172.367 173.577 -1.210 18053 12519 1 19 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.610 0.668 18053 12520 1 19 . 1 1 100 100 GLY H H 530 8.363 8.363 8.554 -0.191 18053 12521 1 19 . 1 1 101 101 GLN N N 531 121.162 121.162 121.664 -0.502 18053 12522 1 19 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.347 -0.375 18053 12523 1 19 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.726 -1.106 18053 12524 1 19 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.983 -1.389 18053 12525 1 19 . 1 1 101 101 GLN H H 531 6.815 6.815 7.012 -0.197 18053 12526 1 19 . 1 1 102 102 SER N N 532 122.728 122.728 121.367 1.361 18053 12527 1 19 . 1 1 102 102 SER HA H 532 3.866 3.866 4.382 -0.516 18053 12528 1 19 . 1 1 102 102 SER C C 532 174.537 174.537 175.878 -1.341 18053 12529 1 19 . 1 1 102 102 SER CA C 532 61.983 61.983 60.468 1.515 18053 12530 1 19 . 1 1 102 102 SER CB C 532 62.802 62.802 63.311 -0.509 18053 12531 1 19 . 1 1 102 102 SER H H 532 8.662 8.662 9.030 -0.368 18053 12532 1 19 . 1 1 103 103 SER N N 533 110.811 110.811 116.077 -5.266 18053 12533 1 19 . 1 1 103 103 SER HA H 533 4.240 4.240 4.502 -0.262 18053 12534 1 19 . 1 1 103 103 SER C C 533 174.087 174.087 174.179 -0.092 18053 12535 1 19 . 1 1 103 103 SER CA C 533 56.633 56.633 59.164 -2.531 18053 12536 1 19 . 1 1 103 103 SER CB C 533 64.658 64.658 64.571 0.087 18053 12537 1 19 . 1 1 103 103 SER H H 533 7.134 7.134 7.974 -0.840 18053 12538 1 19 . 1 1 104 104 TRP N N 534 126.133 126.133 122.056 4.077 18053 12539 1 19 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.243 -0.145 18053 12540 1 19 . 1 1 104 104 TRP C C 534 176.066 176.066 175.377 0.689 18053 12541 1 19 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.343 2.784 18053 12542 1 19 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.759 0.004 18053 12543 1 19 . 1 1 104 104 TRP H H 534 9.764 9.764 7.873 1.891 18053 12544 1 19 . 1 1 105 105 GLY N N 535 105.907 105.907 105.268 0.639 18053 12545 1 19 . 1 1 105 105 GLY C C 535 172.217 172.217 174.166 -1.949 18053 12546 1 19 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.994 -0.754 18053 12547 1 19 . 1 1 105 105 GLY H H 535 8.095 8.095 7.934 0.162 18053 12548 1 19 . 1 1 106 106 THR N N 536 111.253 111.253 112.208 -0.955 18053 12549 1 19 . 1 1 106 106 THR HA H 536 3.859 3.859 4.759 -0.900 18053 12550 1 19 . 1 1 106 106 THR C C 536 172.872 172.872 174.755 -1.883 18053 12551 1 19 . 1 1 106 106 THR CA C 536 59.635 59.635 61.018 -1.383 18053 12552 1 19 . 1 1 106 106 THR CB C 536 70.526 70.526 69.745 0.781 18053 12553 1 19 . 1 1 106 106 THR H H 536 7.913 7.913 7.613 0.300 18053 12554 1 19 . 1 1 107 107 GLY N N 537 107.712 107.712 110.855 -3.143 18053 12555 1 19 . 1 1 107 107 GLY C C 537 172.709 172.709 173.031 -0.322 18053 12556 1 19 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.468 -0.302 18053 12557 1 19 . 1 1 107 107 GLY H H 537 7.533 7.533 8.278 -0.745 18053 12558 1 19 . 1 1 108 108 GLU N N 538 118.864 118.864 121.143 -2.279 18053 12559 1 19 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.291 -0.155 18053 12560 1 19 . 1 1 108 108 GLU C C 538 176.353 176.353 175.532 0.821 18053 12561 1 19 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.718 -0.366 18053 12562 1 19 . 1 1 108 108 GLU CB C 538 30.156 30.156 31.029 -0.873 18053 12563 1 19 . 1 1 108 108 GLU H H 538 8.558 8.558 8.562 -0.004 18053 12564 1 19 . 1 1 109 109 SER N N 539 110.419 110.419 112.460 -2.041 18053 12565 1 19 . 1 1 109 109 SER HA H 539 4.963 4.963 5.072 -0.109 18053 12566 1 19 . 1 1 109 109 SER C C 539 173.787 173.787 172.968 0.819 18053 12567 1 19 . 1 1 109 109 SER CA C 539 57.125 57.125 56.497 0.628 18053 12568 1 19 . 1 1 109 109 SER CB C 539 64.439 64.439 65.652 -1.213 18053 12569 1 19 . 1 1 109 109 SER H H 539 7.620 7.620 7.998 -0.378 18053 12570 1 19 . 1 1 110 110 PHE N N 540 118.778 118.778 118.779 -0.001 18053 12571 1 19 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.268 -0.187 18053 12572 1 19 . 1 1 110 110 PHE C C 540 176.052 176.052 173.649 2.403 18053 12573 1 19 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.367 0.422 18053 12574 1 19 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.767 -1.007 18053 12575 1 19 . 1 1 110 110 PHE H H 540 8.318 8.318 8.256 0.062 18053 12576 1 19 . 1 1 112 112 THR HA H 542 5.468 5.468 4.742 0.726 18053 12577 1 19 . 1 1 112 112 THR C C 542 172.381 172.381 173.620 -1.239 18053 12578 1 19 . 1 1 112 112 THR CA C 542 61.818 61.818 63.231 -1.413 18053 12579 1 19 . 1 1 112 112 THR CB C 542 70.990 70.990 69.144 1.846 18053 12580 1 19 . 1 1 113 113 VAL N N 543 124.771 124.771 127.860 -3.089 18053 12581 1 19 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.529 0.335 18053 12582 1 19 . 1 1 113 113 VAL C C 543 173.132 173.132 173.985 -0.853 18053 12583 1 19 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.142 -1.043 18053 12584 1 19 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.899 1.534 18053 12585 1 19 . 1 1 113 113 VAL H H 543 9.380 9.380 8.787 0.593 18053 12586 1 19 . 1 1 114 114 LEU N N 544 128.789 128.789 127.605 1.184 18053 12587 1 19 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.877 0.443 18053 12588 1 19 . 1 1 114 114 LEU C C 544 174.237 174.237 174.860 -0.623 18053 12589 1 19 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.806 -0.613 18053 12590 1 19 . 1 1 114 114 LEU CB C 544 45.879 45.879 45.025 0.854 18053 12591 1 19 . 1 1 114 114 LEU H H 544 8.948 8.948 8.580 0.368 18053 12592 1 19 . 1 1 115 115 VAL N N 545 127.002 127.002 125.428 1.574 18053 12593 1 19 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.596 0.258 18053 12594 1 19 . 1 1 115 115 VAL C C 545 175.206 175.206 175.109 0.097 18053 12595 1 19 . 1 1 115 115 VAL CA C 545 59.334 59.334 59.671 -0.337 18053 12596 1 19 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.663 -0.168 18053 12597 1 19 . 1 1 115 115 VAL H H 545 9.564 9.564 8.646 0.918 18053 12598 1 19 . 1 1 116 116 ASN N N 546 121.179 121.179 124.116 -2.937 18053 12599 1 19 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.487 -0.590 18053 12600 1 19 . 1 1 116 116 ASN C C 546 176.885 176.885 175.029 1.856 18053 12601 1 19 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.433 -1.024 18053 12602 1 19 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.421 -2.782 18053 12603 1 19 . 1 1 116 116 ASN H H 546 8.016 8.016 7.872 0.144 18053 12604 1 19 . 1 1 117 117 ALA N N 547 119.834 119.834 118.908 0.926 18053 12605 1 19 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.203 -0.337 18053 12606 1 19 . 1 1 117 117 ALA C C 547 177.772 177.772 178.459 -0.687 18053 12607 1 19 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.220 0.284 18053 12608 1 19 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.345 -0.145 18053 12609 1 19 . 1 1 117 117 ALA H H 547 6.444 6.444 7.878 -1.434 18053 12610 1 19 . 1 1 118 118 ASP N N 548 115.646 115.646 117.600 -1.954 18053 12611 1 19 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.414 0.230 18053 12612 1 19 . 1 1 118 118 ASP C C 548 176.052 176.052 177.401 -1.349 18053 12613 1 19 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.276 -1.208 18053 12614 1 19 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.420 0.254 18053 12615 1 19 . 1 1 118 118 ASP H H 548 7.181 7.181 8.033 -0.852 18053 12616 1 19 . 1 1 119 119 GLY N N 549 107.167 107.167 106.259 0.908 18053 12617 1 19 . 1 1 119 119 GLY C C 549 173.841 173.841 173.702 0.139 18053 12618 1 19 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.640 0.815 18053 12619 1 19 . 1 1 119 119 GLY H H 549 7.738 7.738 7.693 0.045 18053 12620 1 19 . 1 1 120 120 GLU N N 550 121.196 121.196 120.724 0.472 18053 12621 1 19 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.341 -0.229 18053 12622 1 19 . 1 1 120 120 GLU C C 550 175.588 175.588 175.671 -0.083 18053 12623 1 19 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.432 -0.601 18053 12624 1 19 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.584 -0.647 18053 12625 1 19 . 1 1 120 120 GLU H H 550 7.587 7.587 7.633 -0.046 18053 12626 1 19 . 1 1 121 121 GLU N N 551 123.886 123.886 122.961 0.925 18053 12627 1 19 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.341 -0.065 18053 12628 1 19 . 1 1 121 121 GLU C C 551 176.817 176.817 176.540 0.277 18053 12629 1 19 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.920 -0.124 18053 12630 1 19 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.021 -0.066 18053 12631 1 19 . 1 1 121 121 GLU H H 551 8.697 8.697 8.705 -0.008 18053 12632 1 19 . 1 1 122 122 VAL N N 552 120.055 120.055 120.877 -0.822 18053 12633 1 19 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.119 0.245 18053 12634 1 19 . 1 1 122 122 VAL C C 552 175.998 175.998 175.176 0.822 18053 12635 1 19 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.053 -0.398 18053 12636 1 19 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.598 0.451 18053 12637 1 19 . 1 1 122 122 VAL H H 552 8.845 8.845 8.162 0.683 18053 12638 1 19 . 1 1 123 123 ALA N N 553 122.098 122.098 120.035 2.063 18053 12639 1 19 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.759 0.131 18053 12640 1 19 . 1 1 123 123 ALA C C 553 175.261 175.261 175.244 0.017 18053 12641 1 19 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.331 1.425 18053 12642 1 19 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.733 0.534 18053 12643 1 19 . 1 1 123 123 ALA H H 553 7.788 7.788 7.700 0.088 18053 12644 1 19 . 1 1 124 124 MET N N 554 118.217 118.217 121.718 -3.501 18053 12645 1 19 . 1 1 124 124 MET HA H 554 5.286 5.286 5.010 0.276 18053 12646 1 19 . 1 1 124 124 MET C C 554 174.428 174.428 174.223 0.205 18053 12647 1 19 . 1 1 124 124 MET CA C 554 55.104 55.104 55.306 -0.202 18053 12648 1 19 . 1 1 124 124 MET CB C 554 35.342 35.342 36.790 -1.448 18053 12649 1 19 . 1 1 124 124 MET H H 554 8.693 8.693 8.433 0.260 18053 12650 1 19 . 1 1 125 125 ARG N N 555 122.132 122.132 127.091 -4.959 18053 12651 1 19 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.674 0.226 18053 12652 1 19 . 1 1 125 125 ARG CA C 555 56.388 56.388 56.297 0.091 18053 12653 1 19 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.755 0.623 18053 12654 1 19 . 1 1 125 125 ARG H H 555 8.919 8.919 9.092 -0.173 18053 12655 1 19 . 1 1 126 126 THR HA H 556 4.685 4.685 4.852 -0.167 18053 12656 1 19 . 1 1 126 126 THR C C 556 172.436 172.436 173.826 -1.390 18053 12657 1 19 . 1 1 126 126 THR CA C 556 61.382 61.382 61.792 -0.410 18053 12658 1 19 . 1 1 126 126 THR CB C 556 70.444 70.444 69.541 0.903 18053 12659 1 19 . 1 1 127 127 VAL N N 557 124.976 124.976 129.066 -4.090 18053 12660 1 19 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.106 0.040 18053 12661 1 19 . 1 1 127 127 VAL C C 557 173.937 173.937 174.480 -0.543 18053 12662 1 19 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.694 0.415 18053 12663 1 19 . 1 1 127 127 VAL CB C 557 33.759 33.759 32.627 1.132 18053 12664 1 19 . 1 1 127 127 VAL H H 557 8.127 8.127 8.152 -0.025 18053 12665 1 19 . 1 1 128 128 LYS N N 558 125.384 125.384 126.264 -0.880 18053 12666 1 19 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.712 -0.006 18053 12667 1 19 . 1 1 128 128 LYS C C 558 175.534 175.534 176.157 -0.623 18053 12668 1 19 . 1 1 128 128 LYS CA C 558 54.886 54.886 52.541 2.345 18053 12669 1 19 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.838 0.835 18053 12670 1 19 . 1 1 128 128 LYS H H 558 8.289 8.289 8.274 0.015 18053 12671 1 19 . 1 1 129 129 LYS N N 559 124.005 124.005 123.168 0.837 18053 12672 1 19 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.123 0.186 18053 12673 1 19 . 1 1 129 129 LYS C C 559 176.571 176.571 175.707 0.864 18053 12674 1 19 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.392 -0.650 18053 12675 1 19 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.106 2.256 18053 12676 1 19 . 1 1 129 129 LYS H H 559 8.461 8.461 8.181 0.280 18053 12677 1 19 . 1 1 130 130 SER N N 560 117.195 117.195 120.836 -3.641 18053 12678 1 19 . 1 1 130 130 SER HA H 560 4.384 4.384 4.517 -0.133 18053 12679 1 19 . 1 1 130 130 SER C C 560 174.565 174.565 173.240 1.325 18053 12680 1 19 . 1 1 130 130 SER CA C 560 58.434 58.434 57.270 1.164 18053 12681 1 19 . 1 1 130 130 SER CB C 560 63.812 63.812 63.427 0.385 18053 12682 1 19 . 1 1 130 130 SER H H 560 8.465 8.465 8.089 0.376 18053 12683 1 19 . 1 1 131 131 SER N N 561 118.149 118.149 119.218 -1.069 18053 12684 1 19 . 1 1 131 131 SER HA H 561 4.412 4.412 4.512 -0.100 18053 12685 1 19 . 1 1 131 131 SER C C 561 174.456 174.456 175.252 -0.796 18053 12686 1 19 . 1 1 131 131 SER CA C 561 58.489 58.489 57.904 0.585 18053 12687 1 19 . 1 1 131 131 SER CB C 561 63.811 63.811 63.206 0.605 18053 12688 1 19 . 1 1 131 131 SER H H 561 8.336 8.336 8.367 -0.031 18053 12689 1 19 . 1 1 132 132 VAL N N 562 121.332 121.332 121.459 -0.127 18053 12690 1 19 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.061 -0.026 18053 12691 1 19 . 1 1 132 132 VAL C C 562 176.066 176.066 175.813 0.253 18053 12692 1 19 . 1 1 132 132 VAL CA C 562 62.446 62.446 63.333 -0.887 18053 12693 1 19 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.911 0.483 18053 12694 1 19 . 1 1 132 132 VAL H H 562 7.982 7.982 8.538 -0.556 18053 12695 1 19 . 1 1 133 133 MET N N 563 124.022 124.022 117.884 6.138 18053 12696 1 19 . 1 1 133 133 MET HA H 563 4.385 4.385 4.265 0.120 18053 12697 1 19 . 1 1 133 133 MET C C 563 176.039 176.039 175.416 0.623 18053 12698 1 19 . 1 1 133 133 MET CA C 563 55.350 55.350 55.413 -0.064 18053 12699 1 19 . 1 1 133 133 MET CB C 563 32.503 32.503 32.385 0.118 18053 12700 1 19 . 1 1 133 133 MET H H 563 8.295 8.295 7.787 0.508 18053 12701 1 19 . 1 1 134 134 ARG N N 564 122.677 122.677 123.266 -0.589 18053 12702 1 19 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.480 -0.218 18053 12703 1 19 . 1 1 134 134 ARG C C 564 176.298 176.298 175.936 0.362 18053 12704 1 19 . 1 1 134 134 ARG CA C 564 56.087 56.087 56.167 -0.080 18053 12705 1 19 . 1 1 134 134 ARG CB C 564 30.702 30.702 29.606 1.096 18053 12706 1 19 . 1 1 134 134 ARG H H 564 8.295 8.295 8.637 -0.342 18053 12707 1 19 . 1 1 135 135 GLU N N 565 121.945 121.945 123.660 -1.715 18053 12708 1 19 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.518 -0.358 18053 12709 1 19 . 1 1 135 135 GLU C C 565 176.080 176.080 176.352 -0.272 18053 12710 1 19 . 1 1 135 135 GLU CA C 565 56.906 56.906 55.569 1.337 18053 12711 1 19 . 1 1 135 135 GLU CB C 565 29.774 29.774 30.955 -1.181 18053 12712 1 19 . 1 1 135 135 GLU H H 565 8.470 8.470 8.511 -0.041 18053 12713 1 19 . 1 1 136 136 ASN N N 566 118.761 118.761 119.192 -0.431 18053 12714 1 19 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.769 -0.152 18053 12715 1 19 . 1 1 136 136 ASN C C 566 175.315 175.315 175.717 -0.402 18053 12716 1 19 . 1 1 136 136 ASN CA C 566 53.193 53.193 52.880 0.313 18053 12717 1 19 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.841 -0.005 18053 12718 1 19 . 1 1 136 136 ASN H H 566 8.341 8.341 8.615 -0.274 18053 12719 1 19 . 1 1 137 137 GLU N N 567 121.349 121.349 120.104 1.245 18053 12720 1 19 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.049 0.103 18053 12721 1 19 . 1 1 137 137 GLU C C 567 176.243 176.243 176.533 -0.290 18053 12722 1 19 . 1 1 137 137 GLU CA C 567 56.906 56.906 58.011 -1.105 18053 12723 1 19 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.791 0.201 18053 12724 1 19 . 1 1 137 137 GLU H H 567 8.349 8.349 8.282 0.067 18053 12725 1 19 . 1 1 138 138 ASN N N 568 118.761 118.761 118.917 -0.156 18053 12726 1 19 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.636 0.076 18053 12727 1 19 . 1 1 138 138 ASN C C 568 174.551 174.551 175.269 -0.718 18053 12728 1 19 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.059 0.134 18053 12729 1 19 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.645 0.682 18053 12730 1 19 . 1 1 138 138 ASN H H 568 8.397 8.397 8.239 0.158 18053 12731 1 20 . 1 1 20 20 ALA N N 450 125.180 125.180 126.332 -1.152 18053 12732 1 20 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.496 0.210 18053 12733 1 20 . 1 1 20 20 ALA C C 450 177.226 177.226 177.051 0.175 18053 12734 1 20 . 1 1 20 20 ALA CA C 450 52.757 52.757 51.873 0.883 18053 12735 1 20 . 1 1 20 20 ALA CB C 450 20.411 20.411 18.463 1.948 18053 12736 1 20 . 1 1 20 20 ALA H H 450 8.484 8.484 8.560 -0.076 18053 12737 1 20 . 1 1 21 21 SER N N 451 115.714 115.714 118.008 -2.294 18053 12738 1 20 . 1 1 21 21 SER HA H 451 4.513 4.513 4.368 0.145 18053 12739 1 20 . 1 1 21 21 SER C C 451 174.742 174.742 175.544 -0.802 18053 12740 1 20 . 1 1 21 21 SER CA C 451 58.516 58.516 57.356 1.160 18053 12741 1 20 . 1 1 21 21 SER CB C 451 64.159 64.159 62.515 1.644 18053 12742 1 20 . 1 1 21 21 SER H H 451 8.487 8.487 7.881 0.606 18053 12743 1 20 . 1 1 22 22 GLY N N 452 111.509 111.509 114.064 -2.555 18053 12744 1 20 . 1 1 22 22 GLY C C 452 174.401 174.401 175.212 -0.811 18053 12745 1 20 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.925 -0.866 18053 12746 1 20 . 1 1 22 22 GLY H H 452 8.198 8.198 8.243 -0.045 18053 12747 1 20 . 1 1 23 23 SER N N 453 116.191 116.191 115.546 0.645 18053 12748 1 20 . 1 1 23 23 SER HA H 453 4.364 4.364 4.278 0.086 18053 12749 1 20 . 1 1 23 23 SER C C 453 173.432 173.432 174.246 -0.814 18053 12750 1 20 . 1 1 23 23 SER CA C 453 59.744 59.744 61.678 -1.934 18053 12751 1 20 . 1 1 23 23 SER CB C 453 64.335 64.335 64.051 0.284 18053 12752 1 20 . 1 1 23 23 SER H H 453 8.494 8.494 8.108 0.386 18053 12753 1 20 . 1 1 24 24 VAL N N 454 121.656 121.656 118.817 2.839 18053 12754 1 20 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.468 0.567 18053 12755 1 20 . 1 1 24 24 VAL C C 454 174.606 174.606 174.552 0.054 18053 12756 1 20 . 1 1 24 24 VAL CA C 454 61.055 61.055 60.943 0.112 18053 12757 1 20 . 1 1 24 24 VAL CB C 454 32.503 32.503 35.345 -2.842 18053 12758 1 20 . 1 1 24 24 VAL H H 454 7.830 7.830 7.916 -0.086 18053 12759 1 20 . 1 1 25 25 SER N N 455 119.323 119.323 118.122 1.201 18053 12760 1 20 . 1 1 25 25 SER HA H 455 4.672 4.672 4.963 -0.291 18053 12761 1 20 . 1 1 25 25 SER C C 455 174.426 174.426 172.800 1.626 18053 12762 1 20 . 1 1 25 25 SER CA C 455 55.268 55.268 56.351 -1.083 18053 12763 1 20 . 1 1 25 25 SER CB C 455 65.162 65.162 66.505 -1.343 18053 12764 1 20 . 1 1 25 25 SER H H 455 9.065 9.065 8.725 0.340 18053 12765 1 20 . 1 1 26 26 ILE N N 456 119.468 119.468 121.910 -2.442 18053 12766 1 20 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.273 -0.093 18053 12767 1 20 . 1 1 26 26 ILE C C 456 175.506 175.506 176.285 -0.779 18053 12768 1 20 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.290 0.038 18053 12769 1 20 . 1 1 26 26 ILE CB C 456 37.962 37.962 38.085 -0.123 18053 12770 1 20 . 1 1 26 26 ILE H H 456 8.295 8.295 8.565 -0.270 18053 12771 1 20 . 1 1 27 27 GLU N N 457 129.726 129.726 129.428 0.298 18053 12772 1 20 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.262 -0.034 18053 12773 1 20 . 1 1 27 27 GLU C C 457 175.179 175.179 176.284 -1.105 18053 12774 1 20 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.993 -2.561 18053 12775 1 20 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.999 -0.857 18053 12776 1 20 . 1 1 27 27 GLU H H 457 8.393 8.393 8.622 -0.229 18053 12777 1 20 . 1 1 28 28 GLU N N 458 117.076 117.076 116.109 0.967 18053 12778 1 20 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.782 -0.614 18053 12779 1 20 . 1 1 28 28 GLU C C 458 174.701 174.701 175.120 -0.419 18053 12780 1 20 . 1 1 28 28 GLU CA C 458 56.906 56.906 54.911 1.995 18053 12781 1 20 . 1 1 28 28 GLU CB C 458 31.848 31.848 34.005 -2.158 18053 12782 1 20 . 1 1 28 28 GLU H H 458 7.489 7.489 7.681 -0.192 18053 12783 1 20 . 1 1 29 29 ILE N N 459 122.183 122.183 120.133 2.050 18053 12784 1 20 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.189 -0.425 18053 12785 1 20 . 1 1 29 29 ILE C C 459 174.169 174.169 174.548 -0.379 18053 12786 1 20 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.569 -0.043 18053 12787 1 20 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.177 -0.868 18053 12788 1 20 . 1 1 29 29 ILE H H 459 8.126 8.126 8.325 -0.199 18053 12789 1 20 . 1 1 30 30 ASP N N 460 123.205 123.205 125.481 -2.276 18053 12790 1 20 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.279 -0.096 18053 12791 1 20 . 1 1 30 30 ASP C C 460 178.318 178.318 177.525 0.793 18053 12792 1 20 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.838 0.092 18053 12793 1 20 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.207 0.600 18053 12794 1 20 . 1 1 30 30 ASP H H 460 6.704 6.704 7.659 -0.955 18053 12795 1 20 . 1 1 31 31 LEU N N 461 128.551 128.551 121.896 6.655 18053 12796 1 20 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.116 -0.052 18053 12797 1 20 . 1 1 31 31 LEU C C 461 177.513 177.513 177.664 -0.151 18053 12798 1 20 . 1 1 31 31 LEU CA C 461 57.124 57.124 57.249 -0.125 18053 12799 1 20 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.874 -0.637 18053 12800 1 20 . 1 1 31 31 LEU H H 461 9.012 9.012 8.254 0.758 18053 12801 1 20 . 1 1 32 32 GLU N N 462 115.101 115.101 117.747 -2.646 18053 12802 1 20 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.281 0.002 18053 12803 1 20 . 1 1 32 32 GLU C C 462 177.062 177.062 177.338 -0.276 18053 12804 1 20 . 1 1 32 32 GLU CA C 462 55.759 55.759 57.441 -1.682 18053 12805 1 20 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.428 -0.859 18053 12806 1 20 . 1 1 32 32 GLU H H 462 7.588 7.588 7.852 -0.264 18053 12807 1 20 . 1 1 33 33 GLY N N 463 106.299 106.299 106.891 -0.592 18053 12808 1 20 . 1 1 33 33 GLY C C 463 174.824 174.824 175.136 -0.312 18053 12809 1 20 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.148 1.658 18053 12810 1 20 . 1 1 33 33 GLY H H 463 7.372 7.372 8.038 -0.666 18053 12811 1 20 . 1 1 34 34 LYS N N 464 118.744 118.744 119.481 -0.737 18053 12812 1 20 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.418 0.144 18053 12813 1 20 . 1 1 34 34 LYS C C 464 177.076 177.076 175.450 1.626 18053 12814 1 20 . 1 1 34 34 LYS CA C 464 59.963 59.963 58.342 1.621 18053 12815 1 20 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.398 -0.287 18053 12816 1 20 . 1 1 34 34 LYS H H 464 9.547 9.547 8.227 1.320 18053 12817 1 20 . 1 1 35 35 PHE N N 465 109.125 109.125 112.031 -2.906 18053 12818 1 20 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.639 -0.125 18053 12819 1 20 . 1 1 35 35 PHE C C 465 174.183 174.183 172.955 1.228 18053 12820 1 20 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.836 0.796 18053 12821 1 20 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.804 -0.205 18053 12822 1 20 . 1 1 35 35 PHE H H 465 6.740 6.740 7.215 -0.475 18053 12823 1 20 . 1 1 36 36 VAL N N 466 119.579 119.579 119.874 -0.295 18053 12824 1 20 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.499 -0.790 18053 12825 1 20 . 1 1 36 36 VAL C C 466 172.668 172.668 174.308 -1.640 18053 12826 1 20 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.326 1.366 18053 12827 1 20 . 1 1 36 36 VAL CB C 466 36.215 36.215 35.511 0.704 18053 12828 1 20 . 1 1 36 36 VAL H H 466 7.628 7.628 9.191 -1.563 18053 12829 1 20 . 1 1 37 37 GLN N N 467 126.831 126.831 126.070 0.761 18053 12830 1 20 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.871 0.578 18053 12831 1 20 . 1 1 37 37 GLN C C 467 174.797 174.797 174.898 -0.101 18053 12832 1 20 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.615 -0.494 18053 12833 1 20 . 1 1 37 37 GLN CB C 467 34.623 34.623 30.609 4.014 18053 12834 1 20 . 1 1 37 37 GLN H H 467 8.392 8.392 8.564 -0.172 18053 12835 1 20 . 1 1 38 38 LEU N N 468 123.018 123.018 125.917 -2.899 18053 12836 1 20 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.275 0.147 18053 12837 1 20 . 1 1 38 38 LEU C C 468 175.588 175.588 175.804 -0.216 18053 12838 1 20 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.438 -0.736 18053 12839 1 20 . 1 1 38 38 LEU CB C 468 45.046 45.046 45.970 -0.924 18053 12840 1 20 . 1 1 38 38 LEU H H 468 9.103 9.103 8.944 0.159 18053 12841 1 20 . 1 1 39 39 LYS N N 469 118.983 118.983 120.234 -1.251 18053 12842 1 20 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.863 -0.011 18053 12843 1 20 . 1 1 39 39 LYS C C 469 173.309 173.309 174.364 -1.055 18053 12844 1 20 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.696 0.298 18053 12845 1 20 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.598 1.648 18053 12846 1 20 . 1 1 39 39 LYS H H 469 8.496 8.496 8.749 -0.253 18053 12847 1 20 . 1 1 40 40 ASN N N 470 121.758 121.758 125.089 -3.331 18053 12848 1 20 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.770 0.018 18053 12849 1 20 . 1 1 40 40 ASN C C 470 174.496 174.496 175.442 -0.946 18053 12850 1 20 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.543 -1.424 18053 12851 1 20 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.313 -1.754 18053 12852 1 20 . 1 1 40 40 ASN H H 470 8.283 8.283 8.460 -0.177 18053 12853 1 20 . 1 1 41 41 ASN N N 471 122.422 122.422 124.357 -1.935 18053 12854 1 20 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.664 -0.076 18053 12855 1 20 . 1 1 41 41 ASN C C 471 174.810 174.810 175.812 -1.002 18053 12856 1 20 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.852 0.133 18053 12857 1 20 . 1 1 41 41 ASN CB C 471 39.600 39.600 38.805 0.795 18053 12858 1 20 . 1 1 41 41 ASN H H 471 8.681 8.681 8.634 0.047 18053 12859 1 20 . 1 1 42 42 SER N N 472 116.446 116.446 116.210 0.236 18053 12860 1 20 . 1 1 42 42 SER HA H 472 4.719 4.719 4.423 0.296 18053 12861 1 20 . 1 1 42 42 SER C C 472 172.804 172.804 174.310 -1.506 18053 12862 1 20 . 1 1 42 42 SER CA C 472 57.288 57.288 59.315 -2.027 18053 12863 1 20 . 1 1 42 42 SER CB C 472 66.241 66.241 63.968 2.273 18053 12864 1 20 . 1 1 42 42 SER H H 472 8.370 8.370 7.817 0.553 18053 12865 1 20 . 1 1 43 43 ASP N N 473 117.706 117.706 122.337 -4.631 18053 12866 1 20 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.651 -0.177 18053 12867 1 20 . 1 1 43 43 ASP C C 473 175.343 175.343 175.052 0.291 18053 12868 1 20 . 1 1 43 43 ASP CA C 473 53.521 53.521 54.895 -1.374 18053 12869 1 20 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.474 -0.152 18053 12870 1 20 . 1 1 43 43 ASP H H 473 8.254 8.254 8.752 -0.498 18053 12871 1 20 . 1 1 44 44 LYS N N 474 120.209 120.209 117.927 2.282 18053 12872 1 20 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.461 0.108 18053 12873 1 20 . 1 1 44 44 LYS C C 474 175.397 175.397 174.040 1.357 18053 12874 1 20 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.579 -0.567 18053 12875 1 20 . 1 1 44 44 LYS CB C 474 35.383 35.383 33.590 1.793 18053 12876 1 20 . 1 1 44 44 LYS H H 474 8.305 8.305 7.324 0.981 18053 12877 1 20 . 1 1 45 45 ASP N N 475 124.993 124.993 120.491 4.502 18053 12878 1 20 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.315 -0.340 18053 12879 1 20 . 1 1 45 45 ASP C C 475 174.810 174.810 175.760 -0.950 18053 12880 1 20 . 1 1 45 45 ASP CA C 475 54.995 54.995 55.854 -0.859 18053 12881 1 20 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.317 0.047 18053 12882 1 20 . 1 1 45 45 ASP H H 475 8.722 8.722 8.534 0.188 18053 12883 1 20 . 1 1 46 46 GLN N N 476 120.549 120.549 126.903 -6.354 18053 12884 1 20 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.497 -0.061 18053 12885 1 20 . 1 1 46 46 GLN C C 476 174.019 174.019 175.206 -1.187 18053 12886 1 20 . 1 1 46 46 GLN CA C 476 53.138 53.138 53.655 -0.517 18053 12887 1 20 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.308 2.158 18053 12888 1 20 . 1 1 46 46 GLN H H 476 7.878 7.878 8.235 -0.357 18053 12889 1 20 . 1 1 47 47 SER N N 477 121.537 121.537 121.891 -0.354 18053 12890 1 20 . 1 1 47 47 SER HA H 477 4.229 4.229 4.174 0.055 18053 12891 1 20 . 1 1 47 47 SER C C 477 174.565 174.565 173.443 1.122 18053 12892 1 20 . 1 1 47 47 SER CA C 477 58.706 58.706 58.963 -0.257 18053 12893 1 20 . 1 1 47 47 SER CB C 477 62.965 62.965 63.240 -0.275 18053 12894 1 20 . 1 1 47 47 SER H H 477 8.748 8.748 8.704 0.044 18053 12895 1 20 . 1 1 48 48 LEU N N 478 127.751 127.751 124.611 3.140 18053 12896 1 20 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.327 -1.696 18053 12897 1 20 . 1 1 48 48 LEU C C 478 176.789 176.789 176.082 0.707 18053 12898 1 20 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.132 -2.030 18053 12899 1 20 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.806 -1.463 18053 12900 1 20 . 1 1 48 48 LEU H H 478 7.856 7.856 7.807 0.049 18053 12901 1 20 . 1 1 49 49 GLY N N 479 107.525 107.525 109.746 -2.221 18053 12902 1 20 . 1 1 49 49 GLY C C 479 176.653 176.653 175.027 1.626 18053 12903 1 20 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.936 2.126 18053 12904 1 20 . 1 1 49 49 GLY H H 479 7.728 7.728 8.731 -1.003 18053 12905 1 20 . 1 1 50 50 ASN N N 480 117.059 117.059 119.558 -2.499 18053 12906 1 20 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.620 -0.365 18053 12907 1 20 . 1 1 50 50 ASN C C 480 174.961 174.961 175.288 -0.327 18053 12908 1 20 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.282 2.078 18053 12909 1 20 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.884 -1.468 18053 12910 1 20 . 1 1 50 50 ASN H H 480 7.552 7.552 8.710 -1.158 18053 12911 1 20 . 1 1 51 51 TRP N N 481 122.166 122.166 120.760 1.406 18053 12912 1 20 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.795 -0.318 18053 12913 1 20 . 1 1 51 51 TRP C C 481 175.575 175.575 175.698 -0.123 18053 12914 1 20 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.393 1.369 18053 12915 1 20 . 1 1 51 51 TRP CB C 481 28.041 28.041 29.713 -1.672 18053 12916 1 20 . 1 1 51 51 TRP H H 481 8.914 8.914 8.126 0.788 18053 12917 1 20 . 1 1 52 52 ARG N N 482 116.480 116.480 119.753 -3.273 18053 12918 1 20 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.352 0.616 18053 12919 1 20 . 1 1 52 52 ARG C C 482 175.807 175.807 175.218 0.589 18053 12920 1 20 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.380 -0.259 18053 12921 1 20 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.716 1.408 18053 12922 1 20 . 1 1 52 52 ARG H H 482 9.147 9.147 8.912 0.235 18053 12923 1 20 . 1 1 53 53 ILE N N 483 119.579 119.579 125.860 -6.281 18053 12924 1 20 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.688 0.297 18053 12925 1 20 . 1 1 53 53 ILE C C 483 175.670 175.670 175.871 -0.201 18053 12926 1 20 . 1 1 53 53 ILE CA C 483 60.400 60.400 61.046 -0.646 18053 12927 1 20 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.551 1.676 18053 12928 1 20 . 1 1 53 53 ILE H H 483 9.000 9.000 8.860 0.140 18053 12929 1 20 . 1 1 54 54 LYS N N 484 124.737 124.737 129.549 -4.812 18053 12930 1 20 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.712 0.751 18053 12931 1 20 . 1 1 54 54 LYS C C 484 175.575 175.575 176.107 -0.532 18053 12932 1 20 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.263 -1.650 18053 12933 1 20 . 1 1 54 54 LYS CB C 484 35.041 35.041 32.288 2.753 18053 12934 1 20 . 1 1 54 54 LYS H H 484 9.678 9.678 8.790 0.888 18053 12935 1 20 . 1 1 55 55 ARG N N 485 124.090 124.090 126.109 -2.019 18053 12936 1 20 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.292 1.233 18053 12937 1 20 . 1 1 55 55 ARG C C 485 174.155 174.155 175.261 -1.106 18053 12938 1 20 . 1 1 55 55 ARG CA C 485 53.903 53.903 54.749 -0.846 18053 12939 1 20 . 1 1 55 55 ARG H H 485 9.314 9.314 8.604 0.710 18053 12940 1 20 . 1 1 56 56 GLN N N 486 126.576 126.576 125.722 0.854 18053 12941 1 20 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.805 0.037 18053 12942 1 20 . 1 1 56 56 GLN C C 486 174.991 174.991 174.504 0.487 18053 12943 1 20 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.175 0.656 18053 12944 1 20 . 1 1 56 56 GLN CB C 486 31.465 31.465 30.093 1.372 18053 12945 1 20 . 1 1 56 56 GLN H H 486 8.831 8.831 8.414 0.417 18053 12946 1 20 . 1 1 57 57 VAL N N 487 126.712 126.712 127.080 -0.368 18053 12947 1 20 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.163 0.103 18053 12948 1 20 . 1 1 57 57 VAL C C 487 175.916 175.916 176.865 -0.949 18053 12949 1 20 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.092 -0.272 18053 12950 1 20 . 1 1 57 57 VAL CB C 487 32.803 32.803 31.963 0.840 18053 12951 1 20 . 1 1 57 57 VAL H H 487 8.786 8.786 8.820 -0.034 18053 12952 1 20 . 1 1 58 58 LEU N N 488 127.274 127.274 125.105 2.169 18053 12953 1 20 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.174 -0.089 18053 12954 1 20 . 1 1 58 58 LEU C C 488 177.158 177.158 177.645 -0.487 18053 12955 1 20 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.395 -0.489 18053 12956 1 20 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.455 -0.081 18053 12957 1 20 . 1 1 58 58 LEU H H 488 8.316 8.316 8.341 -0.025 18053 12958 1 20 . 1 1 59 59 GLU N N 489 119.647 119.647 118.760 0.887 18053 12959 1 20 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.237 -0.125 18053 12960 1 20 . 1 1 59 59 GLU C C 489 176.230 176.230 177.366 -1.136 18053 12961 1 20 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.904 0.111 18053 12962 1 20 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.724 -1.575 18053 12963 1 20 . 1 1 59 59 GLU H H 489 8.636 8.636 8.346 0.290 18053 12964 1 20 . 1 1 60 60 GLY N N 490 108.819 108.819 107.665 1.154 18053 12965 1 20 . 1 1 60 60 GLY C C 490 173.568 173.568 173.524 0.044 18053 12966 1 20 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.647 0.126 18053 12967 1 20 . 1 1 60 60 GLY H H 490 8.160 8.160 7.880 0.280 18053 12968 1 20 . 1 1 61 61 GLU N N 491 121.009 121.009 118.989 2.020 18053 12969 1 20 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.740 -0.417 18053 12970 1 20 . 1 1 61 61 GLU C C 491 175.725 175.725 174.235 1.490 18053 12971 1 20 . 1 1 61 61 GLU CA C 491 56.196 56.196 54.896 1.300 18053 12972 1 20 . 1 1 61 61 GLU CB C 491 30.865 30.865 32.511 -1.646 18053 12973 1 20 . 1 1 61 61 GLU H H 491 8.320 8.320 7.933 0.387 18053 12974 1 20 . 1 1 62 62 GLU N N 492 123.426 123.426 120.695 2.731 18053 12975 1 20 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.281 -0.227 18053 12976 1 20 . 1 1 62 62 GLU C C 492 175.930 175.930 175.641 0.289 18053 12977 1 20 . 1 1 62 62 GLU CA C 492 55.650 55.650 55.056 0.594 18053 12978 1 20 . 1 1 62 62 GLU CB C 492 32.312 32.312 31.618 0.694 18053 12979 1 20 . 1 1 62 62 GLU H H 492 8.594 8.594 8.452 0.142 18053 12980 1 20 . 1 1 63 63 ILE N N 493 119.732 119.732 119.651 0.081 18053 12981 1 20 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.796 -0.008 18053 12982 1 20 . 1 1 63 63 ILE C C 493 174.647 174.647 174.558 0.089 18053 12983 1 20 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.924 0.257 18053 12984 1 20 . 1 1 63 63 ILE CB C 493 41.183 41.183 40.915 0.268 18053 12985 1 20 . 1 1 63 63 ILE H H 493 8.523 8.523 8.101 0.422 18053 12986 1 20 . 1 1 64 64 ALA N N 494 122.166 122.166 126.904 -4.738 18053 12987 1 20 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.099 0.422 18053 12988 1 20 . 1 1 64 64 ALA C C 494 174.606 174.606 176.239 -1.633 18053 12989 1 20 . 1 1 64 64 ALA CA C 494 51.528 51.528 50.503 1.025 18053 12990 1 20 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.369 1.870 18053 12991 1 20 . 1 1 64 64 ALA H H 494 8.741 8.741 8.474 0.267 18053 12992 1 20 . 1 1 65 65 TYR N N 495 126.729 126.729 127.240 -0.511 18053 12993 1 20 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.750 -0.656 18053 12994 1 20 . 1 1 65 65 TYR C C 495 173.036 173.036 173.810 -0.774 18053 12995 1 20 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.087 0.818 18053 12996 1 20 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.781 1.488 18053 12997 1 20 . 1 1 65 65 TYR H H 495 8.462 8.462 8.569 -0.107 18053 12998 1 20 . 1 1 66 66 LYS N N 496 128.108 128.108 127.283 0.825 18053 12999 1 20 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.630 0.192 18053 13000 1 20 . 1 1 66 66 LYS C C 496 174.906 174.906 175.103 -0.197 18053 13001 1 20 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.930 -1.191 18053 13002 1 20 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.018 1.764 18053 13003 1 20 . 1 1 66 66 LYS H H 496 7.010 7.010 7.487 -0.477 18053 13004 1 20 . 1 1 67 67 PHE N N 497 125.299 125.299 124.178 1.121 18053 13005 1 20 . 1 1 67 67 PHE HA H 497 3.932 3.932 3.899 0.033 18053 13006 1 20 . 1 1 67 67 PHE C C 497 177.990 177.990 176.216 1.774 18053 13007 1 20 . 1 1 67 67 PHE CA C 497 59.007 59.007 59.137 -0.130 18053 13008 1 20 . 1 1 67 67 PHE CB C 497 40.981 40.981 39.704 1.277 18053 13009 1 20 . 1 1 67 67 PHE H H 497 8.509 8.509 8.350 0.159 18053 13010 1 20 . 1 1 68 68 THR N N 498 116.191 116.191 113.118 3.073 18053 13011 1 20 . 1 1 68 68 THR HA H 498 4.417 4.417 4.571 -0.154 18053 13012 1 20 . 1 1 68 68 THR CA C 498 60.855 60.855 60.160 0.695 18053 13013 1 20 . 1 1 68 68 THR CB C 498 68.019 68.019 69.073 -1.054 18053 13014 1 20 . 1 1 68 68 THR H H 498 8.688 8.688 8.565 0.123 18053 13015 1 20 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.648 -0.700 18053 13016 1 20 . 1 1 69 69 PRO C C 499 177.444 177.444 177.005 0.439 18053 13017 1 20 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.572 1.505 18053 13018 1 20 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.961 0.815 18053 13019 1 20 . 1 1 70 70 LYS N N 500 113.552 113.552 116.806 -3.254 18053 13020 1 20 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.171 0.214 18053 13021 1 20 . 1 1 70 70 LYS C C 500 176.325 176.325 176.710 -0.385 18053 13022 1 20 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.770 -1.775 18053 13023 1 20 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.755 0.038 18053 13024 1 20 . 1 1 70 70 LYS H H 500 8.016 8.016 7.870 0.146 18053 13025 1 20 . 1 1 71 71 TYR N N 501 121.860 121.860 121.642 0.218 18053 13026 1 20 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.399 -0.669 18053 13027 1 20 . 1 1 71 71 TYR C C 501 174.838 174.838 173.976 0.862 18053 13028 1 20 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.177 3.133 18053 13029 1 20 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.501 -0.720 18053 13030 1 20 . 1 1 71 71 TYR H H 501 7.460 7.460 7.698 -0.238 18053 13031 1 20 . 1 1 72 72 ILE N N 502 129.487 129.487 126.704 2.783 18053 13032 1 20 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.186 -0.258 18053 13033 1 20 . 1 1 72 72 ILE C C 502 172.968 172.968 173.525 -0.557 18053 13034 1 20 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.500 -0.192 18053 13035 1 20 . 1 1 72 72 ILE CB C 502 40.910 40.910 41.247 -0.337 18053 13036 1 20 . 1 1 72 72 ILE H H 502 7.168 7.168 7.810 -0.642 18053 13037 1 20 . 1 1 73 73 LEU N N 503 128.278 128.278 128.826 -0.548 18053 13038 1 20 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.539 -0.046 18053 13039 1 20 . 1 1 73 73 LEU C C 503 175.834 175.834 175.078 0.756 18053 13040 1 20 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.217 -1.252 18053 13041 1 20 . 1 1 73 73 LEU CB C 503 42.548 42.548 43.404 -0.856 18053 13042 1 20 . 1 1 73 73 LEU H H 503 8.483 8.483 8.472 0.011 18053 13043 1 20 . 1 1 74 74 ARG N N 504 129.589 129.589 126.763 2.826 18053 13044 1 20 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.239 -0.496 18053 13045 1 20 . 1 1 74 74 ARG C C 504 175.233 175.233 175.697 -0.464 18053 13046 1 20 . 1 1 74 74 ARG CA C 504 56.851 56.851 54.433 2.418 18053 13047 1 20 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.810 -0.518 18053 13048 1 20 . 1 1 74 74 ARG H H 504 8.673 8.673 8.310 0.363 18053 13049 1 20 . 1 1 75 75 ALA N N 505 123.205 123.205 122.665 0.540 18053 13050 1 20 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.398 -0.876 18053 13051 1 20 . 1 1 75 75 ALA C C 505 178.441 178.441 178.354 0.087 18053 13052 1 20 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.524 0.270 18053 13053 1 20 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.577 0.333 18053 13054 1 20 . 1 1 75 75 ALA H H 505 8.564 8.564 8.149 0.415 18053 13055 1 20 . 1 1 76 76 GLY N N 506 112.241 112.241 113.012 -0.771 18053 13056 1 20 . 1 1 76 76 GLY C C 506 174.278 174.278 175.134 -0.856 18053 13057 1 20 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.541 1.184 18053 13058 1 20 . 1 1 76 76 GLY H H 506 7.381 7.381 8.450 -1.069 18053 13059 1 20 . 1 1 77 77 GLN N N 507 117.382 117.382 119.656 -2.274 18053 13060 1 20 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.427 -0.063 18053 13061 1 20 . 1 1 77 77 GLN C C 507 173.937 173.937 174.961 -1.024 18053 13062 1 20 . 1 1 77 77 GLN CA C 507 54.558 54.558 55.071 -0.513 18053 13063 1 20 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.060 0.013 18053 13064 1 20 . 1 1 77 77 GLN H H 507 7.996 7.996 7.706 0.290 18053 13065 1 20 . 1 1 78 78 MET N N 508 116.957 116.957 120.312 -3.355 18053 13066 1 20 . 1 1 78 78 MET HA H 508 5.388 5.388 5.028 0.360 18053 13067 1 20 . 1 1 78 78 MET C C 508 175.807 175.807 175.106 0.701 18053 13068 1 20 . 1 1 78 78 MET CA C 508 54.067 54.067 54.648 -0.581 18053 13069 1 20 . 1 1 78 78 MET CB C 508 37.198 37.198 36.214 0.984 18053 13070 1 20 . 1 1 78 78 MET H H 508 8.092 8.092 8.399 -0.307 18053 13071 1 20 . 1 1 79 79 VAL N N 509 119.340 119.340 122.478 -3.138 18053 13072 1 20 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.537 0.419 18053 13073 1 20 . 1 1 79 79 VAL C C 509 172.217 172.217 174.470 -2.253 18053 13074 1 20 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.288 -0.817 18053 13075 1 20 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.190 -1.514 18053 13076 1 20 . 1 1 79 79 VAL H H 509 8.534 8.534 8.427 0.107 18053 13077 1 20 . 1 1 80 80 THR N N 510 124.533 124.533 126.285 -1.752 18053 13078 1 20 . 1 1 80 80 THR HA H 510 4.586 4.586 4.910 -0.324 18053 13079 1 20 . 1 1 80 80 THR C C 510 172.215 172.215 174.289 -2.074 18053 13080 1 20 . 1 1 80 80 THR CA C 510 62.119 62.119 61.658 0.461 18053 13081 1 20 . 1 1 80 80 THR CB C 510 69.407 69.407 68.938 0.469 18053 13082 1 20 . 1 1 80 80 THR H H 510 8.301 8.301 8.725 -0.424 18053 13083 1 20 . 1 1 81 81 VAL N N 511 127.002 127.002 128.693 -1.691 18053 13084 1 20 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.740 -0.144 18053 13085 1 20 . 1 1 81 81 VAL C C 511 176.667 176.667 175.549 1.118 18053 13086 1 20 . 1 1 81 81 VAL CA C 511 61.382 61.382 62.512 -1.130 18053 13087 1 20 . 1 1 81 81 VAL CB C 511 30.945 30.945 30.968 -0.023 18053 13088 1 20 . 1 1 81 81 VAL H H 511 8.796 8.796 9.047 -0.251 18053 13089 1 20 . 1 1 82 82 TRP N N 512 131.479 131.479 129.492 1.987 18053 13090 1 20 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.330 0.008 18053 13091 1 20 . 1 1 82 82 TRP C C 512 176.885 176.885 175.055 1.830 18053 13092 1 20 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.726 -0.284 18053 13093 1 20 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.591 -0.890 18053 13094 1 20 . 1 1 82 82 TRP H H 512 9.924 9.924 9.090 0.834 18053 13095 1 20 . 1 1 83 83 ALA N N 513 123.954 123.954 120.283 3.671 18053 13096 1 20 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.523 -0.215 18053 13097 1 20 . 1 1 83 83 ALA C C 513 178.140 178.140 178.166 -0.026 18053 13098 1 20 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.114 2.097 18053 13099 1 20 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.407 -1.662 18053 13100 1 20 . 1 1 83 83 ALA H H 513 9.048 9.048 8.590 0.458 18053 13101 1 20 . 1 1 84 84 ALA N N 514 125.146 125.146 125.569 -0.423 18053 13102 1 20 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.143 -0.192 18053 13103 1 20 . 1 1 84 84 ALA C C 514 179.519 179.519 179.399 0.120 18053 13104 1 20 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.657 0.146 18053 13105 1 20 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.086 -0.504 18053 13106 1 20 . 1 1 84 84 ALA H H 514 8.341 8.341 8.322 0.019 18053 13107 1 20 . 1 1 85 85 GLY N N 515 103.388 103.388 105.971 -2.583 18053 13108 1 20 . 1 1 85 85 GLY C C 515 174.674 174.674 174.918 -0.244 18053 13109 1 20 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.672 0.206 18053 13110 1 20 . 1 1 85 85 GLY H H 515 7.996 7.996 7.928 0.069 18053 13111 1 20 . 1 1 86 86 ALA N N 516 120.140 120.140 123.394 -3.254 18053 13112 1 20 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.489 -0.145 18053 13113 1 20 . 1 1 86 86 ALA C C 516 177.690 177.690 177.770 -0.080 18053 13114 1 20 . 1 1 86 86 ALA CA C 516 53.139 53.139 51.955 1.185 18053 13115 1 20 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.486 1.061 18053 13116 1 20 . 1 1 86 86 ALA H H 516 7.474 7.474 7.371 0.103 18053 13117 1 20 . 1 1 87 87 GLY N N 517 105.720 105.720 106.947 -1.227 18053 13118 1 20 . 1 1 87 87 GLY C C 517 173.650 173.650 174.163 -0.513 18053 13119 1 20 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.247 0.767 18053 13120 1 20 . 1 1 87 87 GLY H H 517 7.779 7.779 7.704 0.075 18053 13121 1 20 . 1 1 88 88 VAL N N 518 121.537 121.537 118.574 2.963 18053 13122 1 20 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.215 -0.630 18053 13123 1 20 . 1 1 88 88 VAL C C 518 174.851 174.851 174.208 0.643 18053 13124 1 20 . 1 1 88 88 VAL CA C 518 61.274 61.274 60.590 0.684 18053 13125 1 20 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.675 -0.299 18053 13126 1 20 . 1 1 88 88 VAL H H 518 7.499 7.499 7.570 -0.071 18053 13127 1 20 . 1 1 89 89 ALA N N 519 128.295 128.295 129.217 -0.922 18053 13128 1 20 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.427 -0.235 18053 13129 1 20 . 1 1 89 89 ALA C C 519 176.680 176.680 176.682 -0.002 18053 13130 1 20 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.018 0.265 18053 13131 1 20 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.517 -0.225 18053 13132 1 20 . 1 1 89 89 ALA H H 519 7.960 7.960 8.207 -0.247 18053 13133 1 20 . 1 1 90 90 HIS N N 520 122.643 122.643 123.299 -0.656 18053 13134 1 20 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.361 -0.328 18053 13135 1 20 . 1 1 90 90 HIS C C 520 175.793 175.793 174.276 1.517 18053 13136 1 20 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.415 2.238 18053 13137 1 20 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.608 2.677 18053 13138 1 20 . 1 1 90 90 HIS H H 520 8.394 8.394 8.813 -0.419 18053 13139 1 20 . 1 1 91 91 SER N N 521 121.247 121.247 123.711 -2.464 18053 13140 1 20 . 1 1 91 91 SER HA H 521 4.629 4.629 4.694 -0.065 18053 13141 1 20 . 1 1 91 91 SER CA C 521 55.843 55.843 55.764 0.079 18053 13142 1 20 . 1 1 91 91 SER CB C 521 62.367 62.367 63.451 -1.084 18053 13143 1 20 . 1 1 91 91 SER H H 521 8.569 8.569 8.236 0.333 18053 13144 1 20 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.819 -0.817 18053 13145 1 20 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.281 -0.037 18053 13146 1 20 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.503 -0.573 18053 13147 1 20 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.774 -0.102 18053 13148 1 20 . 1 1 93 93 PRO C C 523 177.786 177.786 178.348 -0.562 18053 13149 1 20 . 1 1 93 93 PRO CA C 523 64.003 64.003 64.270 -0.267 18053 13150 1 20 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.169 2.736 18053 13151 1 20 . 1 1 94 94 SER N N 524 117.212 117.212 116.746 0.466 18053 13152 1 20 . 1 1 94 94 SER HA H 524 4.678 4.678 4.460 0.218 18053 13153 1 20 . 1 1 94 94 SER C C 524 174.851 174.851 174.545 0.306 18053 13154 1 20 . 1 1 94 94 SER CA C 524 61.874 61.874 61.478 0.396 18053 13155 1 20 . 1 1 94 94 SER CB C 524 64.057 64.057 63.602 0.455 18053 13156 1 20 . 1 1 94 94 SER H H 524 8.463 8.463 8.486 -0.023 18053 13157 1 20 . 1 1 95 95 THR N N 525 121.588 121.588 118.237 3.351 18053 13158 1 20 . 1 1 95 95 THR HA H 525 4.859 4.859 5.068 -0.209 18053 13159 1 20 . 1 1 95 95 THR C C 525 172.094 172.094 172.794 -0.700 18053 13160 1 20 . 1 1 95 95 THR CA C 525 62.309 62.309 61.729 0.580 18053 13161 1 20 . 1 1 95 95 THR CB C 525 70.281 70.281 70.237 0.044 18053 13162 1 20 . 1 1 95 95 THR H H 525 7.631 7.631 7.870 -0.239 18053 13163 1 20 . 1 1 96 96 LEU N N 526 127.274 127.274 129.320 -2.046 18053 13164 1 20 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.972 0.159 18053 13165 1 20 . 1 1 96 96 LEU C C 526 175.916 175.916 175.431 0.485 18053 13166 1 20 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.113 -2.038 18053 13167 1 20 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.645 0.145 18053 13168 1 20 . 1 1 96 96 LEU H H 526 8.977 8.977 8.279 0.698 18053 13169 1 20 . 1 1 97 97 VAL N N 527 124.056 124.056 121.917 2.139 18053 13170 1 20 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.486 0.383 18053 13171 1 20 . 1 1 97 97 VAL C C 527 176.230 176.230 175.313 0.917 18053 13172 1 20 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.155 0.364 18053 13173 1 20 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.724 -0.020 18053 13174 1 20 . 1 1 97 97 VAL H H 527 10.724 10.724 8.270 2.454 18053 13175 1 20 . 1 1 98 98 TRP N N 528 132.586 132.586 130.588 1.998 18053 13176 1 20 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.203 0.762 18053 13177 1 20 . 1 1 98 98 TRP C C 528 173.391 173.391 174.464 -1.073 18053 13178 1 20 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.394 -2.091 18053 13179 1 20 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.679 -0.434 18053 13180 1 20 . 1 1 98 98 TRP H H 528 9.400 9.400 8.432 0.968 18053 13181 1 20 . 1 1 99 99 LYS N N 529 126.644 126.644 128.736 -2.092 18053 13182 1 20 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.106 -0.267 18053 13183 1 20 . 1 1 99 99 LYS C C 529 177.581 177.581 177.361 0.220 18053 13184 1 20 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.641 0.902 18053 13185 1 20 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.895 -0.719 18053 13186 1 20 . 1 1 99 99 LYS H H 529 8.153 8.153 8.105 0.048 18053 13187 1 20 . 1 1 100 100 GLY N N 530 110.385 110.385 112.241 -1.856 18053 13188 1 20 . 1 1 100 100 GLY C C 530 172.367 172.367 173.835 -1.468 18053 13189 1 20 . 1 1 100 100 GLY CA C 530 45.278 45.278 45.023 0.256 18053 13190 1 20 . 1 1 100 100 GLY H H 530 8.363 8.363 8.548 -0.185 18053 13191 1 20 . 1 1 101 101 GLN N N 531 121.162 121.162 121.616 -0.454 18053 13192 1 20 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.018 -0.046 18053 13193 1 20 . 1 1 101 101 GLN CA C 531 52.620 52.620 54.652 -2.032 18053 13194 1 20 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.160 -0.565 18053 13195 1 20 . 1 1 101 101 GLN H H 531 6.815 6.815 7.283 -0.468 18053 13196 1 20 . 1 1 102 102 SER N N 532 122.728 122.728 122.853 -0.125 18053 13197 1 20 . 1 1 102 102 SER HA H 532 3.866 3.866 4.437 -0.571 18053 13198 1 20 . 1 1 102 102 SER C C 532 174.537 174.537 175.803 -1.266 18053 13199 1 20 . 1 1 102 102 SER CA C 532 61.983 61.983 60.536 1.447 18053 13200 1 20 . 1 1 102 102 SER CB C 532 62.802 62.802 63.594 -0.792 18053 13201 1 20 . 1 1 102 102 SER H H 532 8.662 8.662 8.695 -0.033 18053 13202 1 20 . 1 1 103 103 SER N N 533 110.811 110.811 115.858 -5.047 18053 13203 1 20 . 1 1 103 103 SER HA H 533 4.240 4.240 4.255 -0.015 18053 13204 1 20 . 1 1 103 103 SER C C 533 174.087 174.087 174.485 -0.398 18053 13205 1 20 . 1 1 103 103 SER CA C 533 56.633 56.633 58.779 -2.146 18053 13206 1 20 . 1 1 103 103 SER CB C 533 64.658 64.658 63.099 1.559 18053 13207 1 20 . 1 1 103 103 SER H H 533 7.134 7.134 8.013 -0.879 18053 13208 1 20 . 1 1 104 104 TRP N N 534 126.133 126.133 121.953 4.180 18053 13209 1 20 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.101 -0.003 18053 13210 1 20 . 1 1 104 104 TRP C C 534 176.066 176.066 175.539 0.527 18053 13211 1 20 . 1 1 104 104 TRP CA C 534 60.127 60.127 56.982 3.145 18053 13212 1 20 . 1 1 104 104 TRP CB C 534 28.764 28.764 29.053 -0.289 18053 13213 1 20 . 1 1 104 104 TRP H H 534 9.764 9.764 7.748 2.016 18053 13214 1 20 . 1 1 105 105 GLY N N 535 105.907 105.907 104.826 1.081 18053 13215 1 20 . 1 1 105 105 GLY C C 535 172.217 172.217 173.709 -1.492 18053 13216 1 20 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.816 -0.576 18053 13217 1 20 . 1 1 105 105 GLY H H 535 8.095 8.095 7.652 0.443 18053 13218 1 20 . 1 1 106 106 THR N N 536 111.253 111.253 113.684 -2.431 18053 13219 1 20 . 1 1 106 106 THR HA H 536 3.859 3.859 3.932 -0.073 18053 13220 1 20 . 1 1 106 106 THR C C 536 172.872 172.872 173.502 -0.630 18053 13221 1 20 . 1 1 106 106 THR CA C 536 59.635 59.635 61.977 -2.342 18053 13222 1 20 . 1 1 106 106 THR CB C 536 70.526 70.526 69.612 0.914 18053 13223 1 20 . 1 1 106 106 THR H H 536 7.913 7.913 7.908 0.005 18053 13224 1 20 . 1 1 107 107 GLY N N 537 107.712 107.712 113.856 -6.144 18053 13225 1 20 . 1 1 107 107 GLY C C 537 172.709 172.709 173.115 -0.406 18053 13226 1 20 . 1 1 107 107 GLY CA C 537 45.166 45.166 44.894 0.272 18053 13227 1 20 . 1 1 107 107 GLY H H 537 7.533 7.533 7.954 -0.421 18053 13228 1 20 . 1 1 108 108 GLU N N 538 118.864 118.864 119.588 -0.724 18053 13229 1 20 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.281 -0.145 18053 13230 1 20 . 1 1 108 108 GLU C C 538 176.353 176.353 176.124 0.229 18053 13231 1 20 . 1 1 108 108 GLU CA C 538 58.352 58.352 58.469 -0.117 18053 13232 1 20 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.918 -0.762 18053 13233 1 20 . 1 1 108 108 GLU H H 538 8.558 8.558 8.637 -0.079 18053 13234 1 20 . 1 1 109 109 SER N N 539 110.419 110.419 113.638 -3.219 18053 13235 1 20 . 1 1 109 109 SER HA H 539 4.963 4.963 4.764 0.199 18053 13236 1 20 . 1 1 109 109 SER C C 539 173.787 173.787 172.992 0.795 18053 13237 1 20 . 1 1 109 109 SER CA C 539 57.125 57.125 57.717 -0.592 18053 13238 1 20 . 1 1 109 109 SER CB C 539 64.439 64.439 65.040 -0.601 18053 13239 1 20 . 1 1 109 109 SER H H 539 7.620 7.620 7.713 -0.093 18053 13240 1 20 . 1 1 110 110 PHE N N 540 118.778 118.778 120.643 -1.865 18053 13241 1 20 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.283 -0.202 18053 13242 1 20 . 1 1 110 110 PHE C C 540 176.052 176.052 172.951 3.101 18053 13243 1 20 . 1 1 110 110 PHE CA C 540 56.789 56.789 55.772 1.017 18053 13244 1 20 . 1 1 110 110 PHE CB C 540 40.760 40.760 42.282 -1.522 18053 13245 1 20 . 1 1 110 110 PHE H H 540 8.318 8.318 8.580 -0.262 18053 13246 1 20 . 1 1 112 112 THR HA H 542 5.468 5.468 4.771 0.697 18053 13247 1 20 . 1 1 112 112 THR C C 542 172.381 172.381 173.507 -1.126 18053 13248 1 20 . 1 1 112 112 THR CA C 542 61.818 61.818 63.016 -1.198 18053 13249 1 20 . 1 1 112 112 THR CB C 542 70.990 70.990 69.754 1.236 18053 13250 1 20 . 1 1 113 113 VAL N N 543 124.771 124.771 127.942 -3.171 18053 13251 1 20 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.536 0.328 18053 13252 1 20 . 1 1 113 113 VAL C C 543 173.132 173.132 173.888 -0.756 18053 13253 1 20 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.033 -0.934 18053 13254 1 20 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.385 2.048 18053 13255 1 20 . 1 1 113 113 VAL H H 543 9.380 9.380 8.989 0.391 18053 13256 1 20 . 1 1 114 114 LEU N N 544 128.789 128.789 130.697 -1.908 18053 13257 1 20 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.738 0.582 18053 13258 1 20 . 1 1 114 114 LEU C C 544 174.237 174.237 175.025 -0.788 18053 13259 1 20 . 1 1 114 114 LEU CA C 544 53.193 53.193 54.138 -0.945 18053 13260 1 20 . 1 1 114 114 LEU CB C 544 45.879 45.879 42.751 3.128 18053 13261 1 20 . 1 1 114 114 LEU H H 544 8.948 8.948 8.265 0.683 18053 13262 1 20 . 1 1 115 115 VAL N N 545 127.002 127.002 127.195 -0.193 18053 13263 1 20 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.494 0.360 18053 13264 1 20 . 1 1 115 115 VAL C C 545 175.206 175.206 175.708 -0.502 18053 13265 1 20 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.380 -1.046 18053 13266 1 20 . 1 1 115 115 VAL CB C 545 34.495 34.495 32.882 1.613 18053 13267 1 20 . 1 1 115 115 VAL H H 545 9.564 9.564 8.736 0.828 18053 13268 1 20 . 1 1 116 116 ASN N N 546 121.179 121.179 122.713 -1.534 18053 13269 1 20 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.980 -1.083 18053 13270 1 20 . 1 1 116 116 ASN C C 546 176.885 176.885 175.612 1.273 18053 13271 1 20 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.426 -1.017 18053 13272 1 20 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.437 -2.798 18053 13273 1 20 . 1 1 116 116 ASN H H 546 8.016 8.016 7.932 0.084 18053 13274 1 20 . 1 1 117 117 ALA N N 547 119.834 119.834 121.700 -1.866 18053 13275 1 20 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.059 -0.193 18053 13276 1 20 . 1 1 117 117 ALA C C 547 177.772 177.772 177.999 -0.227 18053 13277 1 20 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.500 0.004 18053 13278 1 20 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.418 -0.218 18053 13279 1 20 . 1 1 117 117 ALA H H 547 6.444 6.444 8.000 -1.556 18053 13280 1 20 . 1 1 118 118 ASP N N 548 115.646 115.646 116.956 -1.310 18053 13281 1 20 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.345 0.299 18053 13282 1 20 . 1 1 118 118 ASP C C 548 176.052 176.052 177.534 -1.482 18053 13283 1 20 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.668 -1.601 18053 13284 1 20 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.325 0.349 18053 13285 1 20 . 1 1 118 118 ASP H H 548 7.181 7.181 7.935 -0.754 18053 13286 1 20 . 1 1 119 119 GLY N N 549 107.167 107.167 106.178 0.989 18053 13287 1 20 . 1 1 119 119 GLY C C 549 173.841 173.841 173.819 0.022 18053 13288 1 20 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.672 0.783 18053 13289 1 20 . 1 1 119 119 GLY H H 549 7.738 7.738 7.693 0.045 18053 13290 1 20 . 1 1 120 120 GLU N N 550 121.196 121.196 121.038 0.158 18053 13291 1 20 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.292 -0.180 18053 13292 1 20 . 1 1 120 120 GLU C C 550 175.588 175.588 175.840 -0.252 18053 13293 1 20 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.805 -0.974 18053 13294 1 20 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.380 -0.443 18053 13295 1 20 . 1 1 120 120 GLU H H 550 7.587 7.587 7.715 -0.128 18053 13296 1 20 . 1 1 121 121 GLU N N 551 123.886 123.886 123.179 0.707 18053 13297 1 20 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.239 0.037 18053 13298 1 20 . 1 1 121 121 GLU C C 551 176.817 176.817 176.679 0.138 18053 13299 1 20 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.554 0.242 18053 13300 1 20 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.078 -0.123 18053 13301 1 20 . 1 1 121 121 GLU H H 551 8.697 8.697 8.685 0.012 18053 13302 1 20 . 1 1 122 122 VAL N N 552 120.055 120.055 117.935 2.120 18053 13303 1 20 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.094 0.270 18053 13304 1 20 . 1 1 122 122 VAL C C 552 175.998 175.998 175.052 0.946 18053 13305 1 20 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.637 -0.982 18053 13306 1 20 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.358 0.691 18053 13307 1 20 . 1 1 122 122 VAL H H 552 8.845 8.845 8.011 0.834 18053 13308 1 20 . 1 1 123 123 ALA N N 553 122.098 122.098 120.591 1.507 18053 13309 1 20 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.661 0.229 18053 13310 1 20 . 1 1 123 123 ALA C C 553 175.261 175.261 174.798 0.463 18053 13311 1 20 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.672 1.085 18053 13312 1 20 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.900 0.367 18053 13313 1 20 . 1 1 123 123 ALA H H 553 7.788 7.788 7.648 0.140 18053 13314 1 20 . 1 1 124 124 MET N N 554 118.217 118.217 122.558 -4.341 18053 13315 1 20 . 1 1 124 124 MET HA H 554 5.286 5.286 4.891 0.395 18053 13316 1 20 . 1 1 124 124 MET C C 554 174.428 174.428 174.318 0.110 18053 13317 1 20 . 1 1 124 124 MET CA C 554 55.104 55.104 55.686 -0.582 18053 13318 1 20 . 1 1 124 124 MET CB C 554 35.342 35.342 35.611 -0.269 18053 13319 1 20 . 1 1 124 124 MET H H 554 8.693 8.693 8.406 0.287 18053 13320 1 20 . 1 1 125 125 ARG N N 555 122.132 122.132 128.475 -6.343 18053 13321 1 20 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.771 0.129 18053 13322 1 20 . 1 1 125 125 ARG CA C 555 56.388 56.388 54.918 1.470 18053 13323 1 20 . 1 1 125 125 ARG CB C 555 34.378 34.378 32.075 2.303 18053 13324 1 20 . 1 1 125 125 ARG H H 555 8.919 8.919 9.145 -0.226 18053 13325 1 20 . 1 1 126 126 THR HA H 556 4.685 4.685 4.280 0.405 18053 13326 1 20 . 1 1 126 126 THR C C 556 172.436 172.436 173.678 -1.242 18053 13327 1 20 . 1 1 126 126 THR CA C 556 61.382 61.382 63.136 -1.754 18053 13328 1 20 . 1 1 126 126 THR CB C 556 70.444 70.444 69.615 0.829 18053 13329 1 20 . 1 1 127 127 VAL N N 557 124.976 124.976 126.362 -1.386 18053 13330 1 20 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.220 -0.074 18053 13331 1 20 . 1 1 127 127 VAL C C 557 173.937 173.937 173.206 0.731 18053 13332 1 20 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.588 0.521 18053 13333 1 20 . 1 1 127 127 VAL CB C 557 33.759 33.759 34.278 -0.519 18053 13334 1 20 . 1 1 127 127 VAL H H 557 8.127 8.127 8.777 -0.650 18053 13335 1 20 . 1 1 128 128 LYS N N 558 125.384 125.384 129.395 -4.011 18053 13336 1 20 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.234 0.472 18053 13337 1 20 . 1 1 128 128 LYS C C 558 175.534 175.534 175.647 -0.113 18053 13338 1 20 . 1 1 128 128 LYS CA C 558 54.886 54.886 54.757 0.129 18053 13339 1 20 . 1 1 128 128 LYS CB C 558 34.673 34.673 32.307 2.366 18053 13340 1 20 . 1 1 128 128 LYS H H 558 8.289 8.289 8.299 -0.010 18053 13341 1 20 . 1 1 129 129 LYS N N 559 124.005 124.005 126.889 -2.884 18053 13342 1 20 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.063 0.247 18053 13343 1 20 . 1 1 129 129 LYS C C 559 176.571 176.571 176.394 0.177 18053 13344 1 20 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.277 -0.535 18053 13345 1 20 . 1 1 129 129 LYS CB C 559 33.362 33.362 32.145 1.217 18053 13346 1 20 . 1 1 129 129 LYS H H 559 8.461 8.461 8.105 0.356 18053 13347 1 20 . 1 1 130 130 SER N N 560 117.195 117.195 120.387 -3.192 18053 13348 1 20 . 1 1 130 130 SER HA H 560 4.384 4.384 4.503 -0.119 18053 13349 1 20 . 1 1 130 130 SER C C 560 174.565 174.565 174.995 -0.430 18053 13350 1 20 . 1 1 130 130 SER CA C 560 58.434 58.434 58.734 -0.300 18053 13351 1 20 . 1 1 130 130 SER CB C 560 63.812 63.812 63.561 0.251 18053 13352 1 20 . 1 1 130 130 SER H H 560 8.465 8.465 8.352 0.113 18053 13353 1 20 . 1 1 131 131 SER N N 561 118.149 118.149 116.089 2.060 18053 13354 1 20 . 1 1 131 131 SER HA H 561 4.412 4.412 4.641 -0.229 18053 13355 1 20 . 1 1 131 131 SER C C 561 174.456 174.456 173.210 1.246 18053 13356 1 20 . 1 1 131 131 SER CA C 561 58.489 58.489 56.694 1.795 18053 13357 1 20 . 1 1 131 131 SER CB C 561 63.811 63.811 64.591 -0.780 18053 13358 1 20 . 1 1 131 131 SER H H 561 8.336 8.336 7.376 0.960 18053 13359 1 20 . 1 1 132 132 VAL N N 562 121.332 121.332 119.236 2.096 18053 13360 1 20 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.342 -0.307 18053 13361 1 20 . 1 1 132 132 VAL C C 562 176.066 176.066 175.851 0.215 18053 13362 1 20 . 1 1 132 132 VAL CA C 562 62.446 62.446 61.134 1.312 18053 13363 1 20 . 1 1 132 132 VAL CB C 562 32.394 32.394 32.052 0.342 18053 13364 1 20 . 1 1 132 132 VAL H H 562 7.982 7.982 8.634 -0.652 18053 13365 1 20 . 1 1 133 133 MET N N 563 124.022 124.022 117.025 6.997 18053 13366 1 20 . 1 1 133 133 MET HA H 563 4.385 4.385 4.006 0.379 18053 13367 1 20 . 1 1 133 133 MET C C 563 176.039 176.039 175.147 0.892 18053 13368 1 20 . 1 1 133 133 MET CA C 563 55.350 55.350 57.080 -1.730 18053 13369 1 20 . 1 1 133 133 MET CB C 563 32.503 32.503 31.733 0.770 18053 13370 1 20 . 1 1 133 133 MET H H 563 8.295 8.295 7.730 0.565 18053 13371 1 20 . 1 1 134 134 ARG N N 564 122.677 122.677 120.704 1.973 18053 13372 1 20 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.578 -0.316 18053 13373 1 20 . 1 1 134 134 ARG C C 564 176.298 176.298 175.919 0.379 18053 13374 1 20 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.672 0.415 18053 13375 1 20 . 1 1 134 134 ARG CB C 564 30.702 30.702 31.081 -0.379 18053 13376 1 20 . 1 1 134 134 ARG H H 564 8.295 8.295 8.326 -0.031 18053 13377 1 20 . 1 1 135 135 GLU N N 565 121.945 121.945 119.122 2.823 18053 13378 1 20 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.274 -0.114 18053 13379 1 20 . 1 1 135 135 GLU C C 565 176.080 176.080 176.342 -0.262 18053 13380 1 20 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.199 0.707 18053 13381 1 20 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.661 0.113 18053 13382 1 20 . 1 1 135 135 GLU H H 565 8.470 8.470 8.674 -0.204 18053 13383 1 20 . 1 1 136 136 ASN N N 566 118.761 118.761 119.963 -1.202 18053 13384 1 20 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.604 0.013 18053 13385 1 20 . 1 1 136 136 ASN C C 566 175.315 175.315 175.530 -0.215 18053 13386 1 20 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.092 0.101 18053 13387 1 20 . 1 1 136 136 ASN CB C 566 38.836 38.836 37.911 0.925 18053 13388 1 20 . 1 1 136 136 ASN H H 566 8.341 8.341 8.350 -0.009 18053 13389 1 20 . 1 1 137 137 GLU N N 567 121.349 121.349 123.002 -1.653 18053 13390 1 20 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.373 -0.221 18053 13391 1 20 . 1 1 137 137 GLU C C 567 176.243 176.243 176.741 -0.498 18053 13392 1 20 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.051 -0.145 18053 13393 1 20 . 1 1 137 137 GLU CB C 567 29.992 29.992 30.244 -0.252 18053 13394 1 20 . 1 1 137 137 GLU H H 567 8.349 8.349 8.456 -0.107 18053 13395 1 20 . 1 1 138 138 ASN N N 568 118.761 118.761 118.071 0.690 18053 13396 1 20 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.791 -0.079 18053 13397 1 20 . 1 1 138 138 ASN C C 568 174.551 174.551 174.497 0.054 18053 13398 1 20 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.620 -0.427 18053 13399 1 20 . 1 1 138 138 ASN CB C 568 39.327 39.327 39.873 -0.547 18053 13400 1 20 . 1 1 138 138 ASN H H 568 8.397 8.397 8.249 0.148 18053 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 113 2.577 0.243 2.576 18053 2 1 1 "Average Difference" HA 129 0.401 0.023 0.402 18053 3 1 1 "Average Difference" C 113 0.915 0.089 0.915 18053 4 1 1 "Average Difference" CA 118 1.147 -0.083 1.149 18053 5 1 1 "Average Difference" CB 106 1.303 -0.178 1.297 18053 6 1 1 "Average Difference" HN 113 0.612 -0.072 0.610 18053 7 1 2 "Average Difference" N 113 2.644 0.277 2.641 18053 8 1 2 "Average Difference" HA 129 0.419 0.033 0.419 18053 9 1 2 "Average Difference" C 113 0.972 0.024 0.976 18053 10 1 2 "Average Difference" CA 118 1.214 -0.026 1.219 18053 11 1 2 "Average Difference" CB 106 1.313 -0.062 1.318 18053 12 1 2 "Average Difference" HN 113 0.585 -0.057 0.585 18053 13 1 3 "Average Difference" N 113 2.646 0.445 2.620 18053 14 1 3 "Average Difference" HA 129 0.373 0.021 0.374 18053 15 1 3 "Average Difference" C 113 0.989 0.098 0.988 18053 16 1 3 "Average Difference" CA 118 1.245 0.029 1.250 18053 17 1 3 "Average Difference" CB 106 1.180 -0.107 1.181 18053 18 1 3 "Average Difference" HN 113 0.586 -0.023 0.588 18053 19 1 4 "Average Difference" N 113 2.739 0.394 2.723 18053 20 1 4 "Average Difference" HA 129 0.372 0.017 0.373 18053 21 1 4 "Average Difference" C 113 1.044 0.133 1.040 18053 22 1 4 "Average Difference" CA 118 1.210 0.059 1.214 18053 23 1 4 "Average Difference" CB 106 1.249 -0.184 1.241 18053 24 1 4 "Average Difference" HN 113 0.589 -0.052 0.590 18053 25 1 5 "Average Difference" N 113 2.855 0.719 2.775 18053 26 1 5 "Average Difference" HA 129 0.383 -0.006 0.385 18053 27 1 5 "Average Difference" C 113 0.987 0.092 0.987 18053 28 1 5 "Average Difference" CA 118 1.227 0.111 1.227 18053 29 1 5 "Average Difference" CB 106 1.339 -0.211 1.329 18053 30 1 5 "Average Difference" HN 113 0.596 -0.052 0.596 18053 31 1 6 "Average Difference" N 113 2.680 0.473 2.649 18053 32 1 6 "Average Difference" HA 129 0.379 0.051 0.377 18053 33 1 6 "Average Difference" C 113 0.979 0.069 0.980 18053 34 1 6 "Average Difference" CA 118 1.206 -0.049 1.210 18053 35 1 6 "Average Difference" CB 106 1.298 -0.143 1.297 18053 36 1 6 "Average Difference" HN 113 0.607 -0.050 0.608 18053 37 1 7 "Average Difference" N 113 3.033 0.361 3.025 18053 38 1 7 "Average Difference" HA 129 0.383 0.018 0.384 18053 39 1 7 "Average Difference" C 113 0.985 0.081 0.986 18053 40 1 7 "Average Difference" CA 118 1.260 0.057 1.264 18053 41 1 7 "Average Difference" CB 106 1.369 -0.159 1.366 18053 42 1 7 "Average Difference" HN 113 0.590 -0.054 0.590 18053 43 1 8 "Average Difference" N 113 2.698 0.161 2.705 18053 44 1 8 "Average Difference" HA 129 0.363 0.004 0.365 18053 45 1 8 "Average Difference" C 113 0.943 0.095 0.942 18053 46 1 8 "Average Difference" CA 118 1.114 -0.014 1.119 18053 47 1 8 "Average Difference" CB 106 1.347 -0.156 1.345 18053 48 1 8 "Average Difference" HN 113 0.602 -0.034 0.604 18053 49 1 9 "Average Difference" N 113 2.716 0.353 2.705 18053 50 1 9 "Average Difference" HA 129 0.369 0.024 0.370 18053 51 1 9 "Average Difference" C 113 1.043 0.033 1.047 18053 52 1 9 "Average Difference" CA 118 1.273 -0.039 1.278 18053 53 1 9 "Average Difference" CB 106 1.333 -0.065 1.338 18053 54 1 9 "Average Difference" HN 113 0.601 -0.035 0.603 18053 55 1 10 "Average Difference" N 113 2.413 0.340 2.399 18053 56 1 10 "Average Difference" HA 129 0.385 0.023 0.386 18053 57 1 10 "Average Difference" C 113 0.951 0.043 0.954 18053 58 1 10 "Average Difference" CA 118 1.186 -0.055 1.190 18053 59 1 10 "Average Difference" CB 106 1.342 -0.130 1.342 18053 60 1 10 "Average Difference" HN 113 0.586 -0.033 0.587 18053 61 1 11 "Average Difference" N 113 2.699 0.358 2.687 18053 62 1 11 "Average Difference" HA 129 0.380 -0.004 0.381 18053 63 1 11 "Average Difference" C 113 0.991 0.084 0.992 18053 64 1 11 "Average Difference" CA 118 1.264 -0.054 1.268 18053 65 1 11 "Average Difference" CB 106 1.313 -0.238 1.298 18053 66 1 11 "Average Difference" HN 113 0.611 -0.049 0.612 18053 67 1 12 "Average Difference" N 113 2.779 0.424 2.758 18053 68 1 12 "Average Difference" HA 129 0.374 0.019 0.375 18053 69 1 12 "Average Difference" C 113 1.001 0.096 1.000 18053 70 1 12 "Average Difference" CA 118 1.230 0.040 1.235 18053 71 1 12 "Average Difference" CB 106 1.269 -0.139 1.267 18053 72 1 12 "Average Difference" HN 113 0.572 -0.047 0.572 18053 73 1 13 "Average Difference" N 113 2.883 0.606 2.831 18053 74 1 13 "Average Difference" HA 129 0.398 0.022 0.399 18053 75 1 13 "Average Difference" C 113 0.964 0.163 0.954 18053 76 1 13 "Average Difference" CA 118 1.309 0.080 1.312 18053 77 1 13 "Average Difference" CB 106 1.211 -0.214 1.198 18053 78 1 13 "Average Difference" HN 113 0.583 -0.044 0.584 18053 79 1 14 "Average Difference" N 113 2.692 0.521 2.652 18053 80 1 14 "Average Difference" HA 129 0.361 0.017 0.362 18053 81 1 14 "Average Difference" C 113 1.021 0.113 1.020 18053 82 1 14 "Average Difference" CA 118 1.170 0.015 1.174 18053 83 1 14 "Average Difference" CB 106 1.318 -0.314 1.286 18053 84 1 14 "Average Difference" HN 113 0.614 -0.036 0.615 18053 85 1 15 "Average Difference" N 113 2.667 0.105 2.677 18053 86 1 15 "Average Difference" HA 129 0.385 0.039 0.385 18053 87 1 15 "Average Difference" C 113 0.972 0.089 0.972 18053 88 1 15 "Average Difference" CA 118 1.275 0.021 1.280 18053 89 1 15 "Average Difference" CB 106 1.238 -0.133 1.237 18053 90 1 15 "Average Difference" HN 113 0.550 -0.026 0.552 18053 91 1 16 "Average Difference" N 113 2.919 0.299 2.916 18053 92 1 16 "Average Difference" HA 129 0.402 0.013 0.403 18053 93 1 16 "Average Difference" C 113 1.039 0.096 1.039 18053 94 1 16 "Average Difference" CA 118 1.245 0.011 1.250 18053 95 1 16 "Average Difference" CB 106 1.485 -0.327 1.456 18053 96 1 16 "Average Difference" HN 113 0.579 -0.054 0.579 18053 97 1 17 "Average Difference" N 113 3.005 0.291 3.004 18053 98 1 17 "Average Difference" HA 129 0.351 0.006 0.353 18053 99 1 17 "Average Difference" C 113 0.946 0.035 0.950 18053 100 1 17 "Average Difference" CA 118 1.245 0.004 1.250 18053 101 1 17 "Average Difference" CB 106 1.227 -0.226 1.212 18053 102 1 17 "Average Difference" HN 113 0.556 -0.038 0.557 18053 103 1 18 "Average Difference" N 113 2.865 0.603 2.813 18053 104 1 18 "Average Difference" HA 129 0.419 0.027 0.420 18053 105 1 18 "Average Difference" C 113 0.979 0.035 0.983 18053 106 1 18 "Average Difference" CA 118 1.144 -0.097 1.144 18053 107 1 18 "Average Difference" CB 106 1.322 -0.203 1.312 18053 108 1 18 "Average Difference" HN 113 0.595 -0.044 0.596 18053 109 1 19 "Average Difference" N 113 2.664 0.512 2.626 18053 110 1 19 "Average Difference" HA 129 0.381 0.010 0.383 18053 111 1 19 "Average Difference" C 113 0.934 0.079 0.935 18053 112 1 19 "Average Difference" CA 118 1.172 0.013 1.177 18053 113 1 19 "Average Difference" CB 106 1.254 -0.182 1.247 18053 114 1 19 "Average Difference" HN 113 0.626 -0.041 0.628 18053 115 1 20 "Average Difference" N 113 2.682 0.553 2.636 18053 116 1 20 "Average Difference" HA 129 0.398 -0.000 0.400 18053 117 1 20 "Average Difference" C 113 0.926 0.085 0.926 18053 118 1 20 "Average Difference" CA 118 1.195 0.018 1.200 18053 119 1 20 "Average Difference" CB 106 1.301 -0.195 1.292 18053 120 1 20 "Average Difference" HN 113 0.585 -0.053 0.585 18053 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 18053 _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 20 20 ALA N N 450 125.180 125.180 126.597 -1.417 18053 2 1 . 1 1 20 20 ALA HA H 450 4.706 4.706 4.533 0.173 18053 3 1 . 1 1 20 20 ALA C C 450 177.226 177.226 177.011 0.215 18053 4 1 . 1 1 20 20 ALA CA C 450 52.757 52.757 52.073 0.684 18053 5 1 . 1 1 20 20 ALA CB C 450 20.411 20.411 19.166 1.245 18053 6 1 . 1 1 20 20 ALA H H 450 8.484 8.484 8.475 0.009 18053 7 1 . 1 1 21 21 SER N N 451 115.714 115.714 119.243 -3.529 18053 8 1 . 1 1 21 21 SER HA H 451 4.513 4.513 4.437 0.076 18053 9 1 . 1 1 21 21 SER C C 451 174.742 174.742 175.383 -0.641 18053 10 1 . 1 1 21 21 SER CA C 451 58.516 58.516 58.117 0.399 18053 11 1 . 1 1 21 21 SER CB C 451 64.159 64.159 62.689 1.470 18053 12 1 . 1 1 21 21 SER H H 451 8.487 8.487 8.202 0.285 18053 13 1 . 1 1 22 22 GLY N N 452 111.509 111.509 115.118 -3.609 18053 14 1 . 1 1 22 22 GLY C C 452 174.401 174.401 175.027 -0.626 18053 15 1 . 1 1 22 22 GLY CA C 452 45.059 45.059 45.867 -0.808 18053 16 1 . 1 1 22 22 GLY H H 452 8.198 8.198 8.565 -0.367 18053 17 1 . 1 1 23 23 SER N N 453 116.191 116.191 115.238 0.953 18053 18 1 . 1 1 23 23 SER HA H 453 4.364 4.364 4.388 -0.024 18053 19 1 . 1 1 23 23 SER C C 453 173.432 173.432 173.879 -0.447 18053 20 1 . 1 1 23 23 SER CA C 453 59.744 59.744 60.426 -0.682 18053 21 1 . 1 1 23 23 SER CB C 453 64.335 64.335 64.142 0.193 18053 22 1 . 1 1 23 23 SER H H 453 8.494 8.494 8.210 0.284 18053 23 1 . 1 1 24 24 VAL N N 454 121.656 121.656 120.030 1.626 18053 24 1 . 1 1 24 24 VAL HA H 454 5.035 5.035 4.446 0.589 18053 25 1 . 1 1 24 24 VAL C C 454 174.606 174.606 175.131 -0.525 18053 26 1 . 1 1 24 24 VAL CA C 454 61.055 61.055 61.394 -0.339 18053 27 1 . 1 1 24 24 VAL CB C 454 32.503 32.503 33.474 -0.971 18053 28 1 . 1 1 24 24 VAL H H 454 7.830 7.830 7.853 -0.023 18053 29 1 . 1 1 25 25 SER N N 455 119.323 119.323 119.463 -0.140 18053 30 1 . 1 1 25 25 SER HA H 455 4.672 4.672 4.883 -0.211 18053 31 1 . 1 1 25 25 SER C C 455 174.426 174.426 173.439 0.987 18053 32 1 . 1 1 25 25 SER CA C 455 55.268 55.268 56.080 -0.812 18053 33 1 . 1 1 25 25 SER CB C 455 65.162 65.162 65.844 -0.682 18053 34 1 . 1 1 25 25 SER H H 455 9.065 9.065 8.745 0.320 18053 35 1 . 1 1 26 26 ILE N N 456 119.468 119.468 123.859 -4.391 18053 36 1 . 1 1 26 26 ILE HA H 456 4.180 4.180 4.163 0.017 18053 37 1 . 1 1 26 26 ILE C C 456 175.506 175.506 175.967 -0.461 18053 38 1 . 1 1 26 26 ILE CA C 456 61.328 61.328 61.876 -0.548 18053 39 1 . 1 1 26 26 ILE CB C 456 37.962 37.962 37.403 0.559 18053 40 1 . 1 1 26 26 ILE H H 456 8.295 8.295 8.709 -0.414 18053 41 1 . 1 1 27 27 GLU N N 457 129.726 129.726 129.236 0.490 18053 42 1 . 1 1 27 27 GLU HA H 457 4.228 4.228 4.278 -0.049 18053 43 1 . 1 1 27 27 GLU C C 457 175.179 175.179 176.376 -1.197 18053 44 1 . 1 1 27 27 GLU CA C 457 55.432 55.432 57.897 -2.465 18053 45 1 . 1 1 27 27 GLU CB C 457 30.142 30.142 30.871 -0.729 18053 46 1 . 1 1 27 27 GLU H H 457 8.393 8.393 8.553 -0.160 18053 47 1 . 1 1 28 28 GLU N N 458 117.076 117.076 116.436 0.640 18053 48 1 . 1 1 28 28 GLU HA H 458 4.168 4.168 4.652 -0.484 18053 49 1 . 1 1 28 28 GLU C C 458 174.701 174.701 174.781 -0.080 18053 50 1 . 1 1 28 28 GLU CA C 458 56.906 56.906 55.131 1.775 18053 51 1 . 1 1 28 28 GLU CB C 458 31.848 31.848 33.561 -1.713 18053 52 1 . 1 1 28 28 GLU H H 458 7.489 7.489 7.937 -0.448 18053 53 1 . 1 1 29 29 ILE N N 459 122.183 122.183 120.059 2.124 18053 54 1 . 1 1 29 29 ILE HA H 459 3.764 3.764 4.032 -0.268 18053 55 1 . 1 1 29 29 ILE C C 459 174.169 174.169 174.602 -0.433 18053 56 1 . 1 1 29 29 ILE CA C 459 59.526 59.526 59.396 0.130 18053 57 1 . 1 1 29 29 ILE CB C 459 40.309 40.309 41.461 -1.152 18053 58 1 . 1 1 29 29 ILE H H 459 8.126 8.126 8.295 -0.169 18053 59 1 . 1 1 30 30 ASP N N 460 123.205 123.205 124.036 -0.831 18053 60 1 . 1 1 30 30 ASP HA H 460 4.183 4.183 4.238 -0.055 18053 61 1 . 1 1 30 30 ASP C C 460 178.318 178.318 177.496 0.822 18053 62 1 . 1 1 30 30 ASP CA C 460 53.930 53.930 53.688 0.242 18053 63 1 . 1 1 30 30 ASP CB C 460 42.807 42.807 42.225 0.582 18053 64 1 . 1 1 30 30 ASP H H 460 6.704 6.704 7.474 -0.770 18053 65 1 . 1 1 31 31 LEU N N 461 128.551 128.551 120.785 7.766 18053 66 1 . 1 1 31 31 LEU HA H 461 4.064 4.064 4.156 -0.092 18053 67 1 . 1 1 31 31 LEU C C 461 177.513 177.513 177.591 -0.078 18053 68 1 . 1 1 31 31 LEU CA C 461 57.124 57.124 56.940 0.184 18053 69 1 . 1 1 31 31 LEU CB C 461 41.237 41.237 41.779 -0.542 18053 70 1 . 1 1 31 31 LEU H H 461 9.012 9.012 8.308 0.704 18053 71 1 . 1 1 32 32 GLU N N 462 115.101 115.101 117.631 -2.530 18053 72 1 . 1 1 32 32 GLU HA H 462 4.283 4.283 4.440 -0.157 18053 73 1 . 1 1 32 32 GLU C C 462 177.062 177.062 176.959 0.103 18053 74 1 . 1 1 32 32 GLU CA C 462 55.759 55.759 56.780 -1.021 18053 75 1 . 1 1 32 32 GLU CB C 462 29.569 29.569 30.710 -1.141 18053 76 1 . 1 1 32 32 GLU H H 462 7.588 7.588 8.005 -0.417 18053 77 1 . 1 1 33 33 GLY N N 463 106.299 106.299 106.676 -0.377 18053 78 1 . 1 1 33 33 GLY C C 463 174.824 174.824 174.969 -0.145 18053 79 1 . 1 1 33 33 GLY CA C 463 46.806 46.806 45.152 1.654 18053 80 1 . 1 1 33 33 GLY H H 463 7.372 7.372 8.062 -0.690 18053 81 1 . 1 1 34 34 LYS N N 464 118.744 118.744 118.726 0.018 18053 82 1 . 1 1 34 34 LYS HA H 464 4.562 4.562 4.385 0.177 18053 83 1 . 1 1 34 34 LYS C C 464 177.076 177.076 175.116 1.960 18053 84 1 . 1 1 34 34 LYS CA C 464 59.963 59.963 57.326 2.637 18053 85 1 . 1 1 34 34 LYS CB C 464 33.111 33.111 33.363 -0.252 18053 86 1 . 1 1 34 34 LYS H H 464 9.547 9.547 8.175 1.371 18053 87 1 . 1 1 35 35 PHE N N 465 109.125 109.125 112.544 -3.419 18053 88 1 . 1 1 35 35 PHE HA H 465 5.514 5.514 5.171 0.343 18053 89 1 . 1 1 35 35 PHE C C 465 174.183 174.183 172.794 1.389 18053 90 1 . 1 1 35 35 PHE CA C 465 56.632 56.632 55.469 1.163 18053 91 1 . 1 1 35 35 PHE CB C 465 40.599 40.599 40.980 -0.381 18053 92 1 . 1 1 35 35 PHE H H 465 6.740 6.740 7.115 -0.375 18053 93 1 . 1 1 36 36 VAL N N 466 119.579 119.579 119.797 -0.218 18053 94 1 . 1 1 36 36 VAL HA H 466 3.709 3.709 4.157 -0.448 18053 95 1 . 1 1 36 36 VAL C C 466 172.668 172.668 174.262 -1.594 18053 96 1 . 1 1 36 36 VAL CA C 466 62.692 62.692 61.194 1.498 18053 97 1 . 1 1 36 36 VAL CB C 466 36.215 36.215 34.500 1.715 18053 98 1 . 1 1 36 36 VAL H H 466 7.628 7.628 8.584 -0.956 18053 99 1 . 1 1 37 37 GLN N N 467 126.831 126.831 127.504 -0.673 18053 100 1 . 1 1 37 37 GLN HA H 467 5.449 5.449 4.805 0.644 18053 101 1 . 1 1 37 37 GLN C C 467 174.797 174.797 174.701 0.096 18053 102 1 . 1 1 37 37 GLN CA C 467 54.121 54.121 54.737 -0.616 18053 103 1 . 1 1 37 37 GLN CB C 467 34.623 34.623 29.643 4.980 18053 104 1 . 1 1 37 37 GLN H H 467 8.392 8.392 8.497 -0.105 18053 105 1 . 1 1 38 38 LEU N N 468 123.018 123.018 127.971 -4.953 18053 106 1 . 1 1 38 38 LEU HA H 468 5.422 5.422 5.086 0.336 18053 107 1 . 1 1 38 38 LEU C C 468 175.588 175.588 175.687 -0.099 18053 108 1 . 1 1 38 38 LEU CA C 468 52.702 52.702 53.875 -1.173 18053 109 1 . 1 1 38 38 LEU CB C 468 45.046 45.046 44.749 0.297 18053 110 1 . 1 1 38 38 LEU H H 468 9.103 9.103 8.940 0.163 18053 111 1 . 1 1 39 39 LYS N N 469 118.983 118.983 121.458 -2.475 18053 112 1 . 1 1 39 39 LYS HA H 469 4.852 4.852 4.772 0.080 18053 113 1 . 1 1 39 39 LYS C C 469 173.309 173.309 174.460 -1.151 18053 114 1 . 1 1 39 39 LYS CA C 469 54.994 54.994 54.607 0.387 18053 115 1 . 1 1 39 39 LYS CB C 469 38.246 38.246 36.227 2.019 18053 116 1 . 1 1 39 39 LYS H H 469 8.496 8.496 8.717 -0.221 18053 117 1 . 1 1 40 40 ASN N N 470 121.758 121.758 124.447 -2.689 18053 118 1 . 1 1 40 40 ASN HA H 470 4.788 4.788 4.876 -0.088 18053 119 1 . 1 1 40 40 ASN C C 470 174.496 174.496 175.051 -0.555 18053 120 1 . 1 1 40 40 ASN CA C 470 51.119 51.119 52.480 -1.361 18053 121 1 . 1 1 40 40 ASN CB C 470 37.559 37.559 39.347 -1.788 18053 122 1 . 1 1 40 40 ASN H H 470 8.283 8.283 8.622 -0.339 18053 123 1 . 1 1 41 41 ASN N N 471 122.422 122.422 123.995 -1.573 18053 124 1 . 1 1 41 41 ASN HA H 471 4.588 4.588 4.749 -0.161 18053 125 1 . 1 1 41 41 ASN C C 471 174.810 174.810 175.097 -0.287 18053 126 1 . 1 1 41 41 ASN CA C 471 53.985 53.985 53.418 0.567 18053 127 1 . 1 1 41 41 ASN CB C 471 39.600 39.600 39.288 0.312 18053 128 1 . 1 1 41 41 ASN H H 471 8.681 8.681 8.502 0.179 18053 129 1 . 1 1 42 42 SER N N 472 116.446 116.446 116.210 0.236 18053 130 1 . 1 1 42 42 SER HA H 472 4.719 4.719 4.458 0.261 18053 131 1 . 1 1 42 42 SER C C 472 172.804 172.804 174.520 -1.716 18053 132 1 . 1 1 42 42 SER CA C 472 57.288 57.288 58.349 -1.061 18053 133 1 . 1 1 42 42 SER CB C 472 66.241 66.241 64.515 1.726 18053 134 1 . 1 1 42 42 SER H H 472 8.370 8.370 7.808 0.562 18053 135 1 . 1 1 43 43 ASP N N 473 117.706 117.706 122.006 -4.300 18053 136 1 . 1 1 43 43 ASP HA H 473 4.474 4.474 4.557 -0.083 18053 137 1 . 1 1 43 43 ASP C C 473 175.343 175.343 175.734 -0.391 18053 138 1 . 1 1 43 43 ASP CA C 473 53.521 53.521 55.420 -1.899 18053 139 1 . 1 1 43 43 ASP CB C 473 40.322 40.322 40.982 -0.660 18053 140 1 . 1 1 43 43 ASP H H 473 8.254 8.254 8.697 -0.443 18053 141 1 . 1 1 44 44 LYS N N 474 120.209 120.209 118.410 1.799 18053 142 1 . 1 1 44 44 LYS HA H 474 4.569 4.569 4.465 0.104 18053 143 1 . 1 1 44 44 LYS C C 474 175.397 175.397 174.789 0.608 18053 144 1 . 1 1 44 44 LYS CA C 474 54.012 54.012 54.510 -0.498 18053 145 1 . 1 1 44 44 LYS CB C 474 35.383 35.383 34.116 1.267 18053 146 1 . 1 1 44 44 LYS H H 474 8.305 8.305 7.466 0.839 18053 147 1 . 1 1 45 45 ASP N N 475 124.993 124.993 120.078 4.915 18053 148 1 . 1 1 45 45 ASP HA H 475 3.975 3.975 4.449 -0.474 18053 149 1 . 1 1 45 45 ASP C C 475 174.810 174.810 175.940 -1.130 18053 150 1 . 1 1 45 45 ASP CA C 475 54.995 54.995 54.846 0.148 18053 151 1 . 1 1 45 45 ASP CB C 475 40.364 40.364 40.681 -0.317 18053 152 1 . 1 1 45 45 ASP H H 475 8.722 8.722 8.429 0.293 18053 153 1 . 1 1 46 46 GLN N N 476 120.549 120.549 124.915 -4.366 18053 154 1 . 1 1 46 46 GLN HA H 476 4.436 4.436 4.401 0.035 18053 155 1 . 1 1 46 46 GLN C C 476 174.019 174.019 175.065 -1.046 18053 156 1 . 1 1 46 46 GLN CA C 476 53.138 53.138 54.501 -1.363 18053 157 1 . 1 1 46 46 GLN CB C 476 31.466 31.466 29.750 1.716 18053 158 1 . 1 1 46 46 GLN H H 476 7.878 7.878 8.275 -0.397 18053 159 1 . 1 1 47 47 SER N N 477 121.537 121.537 121.803 -0.266 18053 160 1 . 1 1 47 47 SER HA H 477 4.229 4.229 4.243 -0.014 18053 161 1 . 1 1 47 47 SER C C 477 174.565 174.565 173.794 0.771 18053 162 1 . 1 1 47 47 SER CA C 477 58.706 58.706 58.712 -0.006 18053 163 1 . 1 1 47 47 SER CB C 477 62.965 62.965 62.980 -0.015 18053 164 1 . 1 1 47 47 SER H H 477 8.748 8.748 8.655 0.093 18053 165 1 . 1 1 48 48 LEU N N 478 127.751 127.751 125.441 2.310 18053 166 1 . 1 1 48 48 LEU HA H 478 2.631 2.631 4.312 -1.681 18053 167 1 . 1 1 48 48 LEU C C 478 176.789 176.789 176.958 -0.169 18053 168 1 . 1 1 48 48 LEU CA C 478 52.102 52.102 54.089 -1.987 18053 169 1 . 1 1 48 48 LEU CB C 478 42.343 42.343 43.626 -1.283 18053 170 1 . 1 1 48 48 LEU H H 478 7.856 7.856 7.747 0.109 18053 171 1 . 1 1 49 49 GLY N N 479 107.525 107.525 107.873 -0.348 18053 172 1 . 1 1 49 49 GLY C C 479 176.653 176.653 175.270 1.383 18053 173 1 . 1 1 49 49 GLY CA C 479 48.062 48.062 45.819 2.243 18053 174 1 . 1 1 49 49 GLY H H 479 7.728 7.728 8.725 -0.997 18053 175 1 . 1 1 50 50 ASN N N 480 117.059 117.059 119.650 -2.591 18053 176 1 . 1 1 50 50 ASN HA H 480 4.255 4.255 4.601 -0.346 18053 177 1 . 1 1 50 50 ASN C C 480 174.961 174.961 175.260 -0.299 18053 178 1 . 1 1 50 50 ASN CA C 480 56.360 56.360 54.429 1.931 18053 179 1 . 1 1 50 50 ASN CB C 480 37.416 37.416 38.857 -1.441 18053 180 1 . 1 1 50 50 ASN H H 480 7.552 7.552 8.700 -1.148 18053 181 1 . 1 1 51 51 TRP N N 481 122.166 122.166 118.890 3.276 18053 182 1 . 1 1 51 51 TRP HA H 481 4.477 4.477 4.849 -0.372 18053 183 1 . 1 1 51 51 TRP C C 481 175.575 175.575 175.743 -0.168 18053 184 1 . 1 1 51 51 TRP CA C 481 58.762 58.762 57.949 0.813 18053 185 1 . 1 1 51 51 TRP CB C 481 28.041 28.041 30.046 -2.005 18053 186 1 . 1 1 51 51 TRP H H 481 8.914 8.914 7.921 0.993 18053 187 1 . 1 1 52 52 ARG N N 482 116.480 116.480 117.803 -1.323 18053 188 1 . 1 1 52 52 ARG HA H 482 5.968 5.968 5.247 0.721 18053 189 1 . 1 1 52 52 ARG C C 482 175.807 175.807 174.901 0.906 18053 190 1 . 1 1 52 52 ARG CA C 482 54.121 54.121 54.910 -0.789 18053 191 1 . 1 1 52 52 ARG CB C 482 35.124 35.124 33.922 1.202 18053 192 1 . 1 1 52 52 ARG H H 482 9.147 9.147 9.061 0.086 18053 193 1 . 1 1 53 53 ILE N N 483 119.579 119.579 124.963 -5.384 18053 194 1 . 1 1 53 53 ILE HA H 483 4.985 4.985 4.879 0.106 18053 195 1 . 1 1 53 53 ILE C C 483 175.670 175.670 175.825 -0.155 18053 196 1 . 1 1 53 53 ILE CA C 483 60.400 60.400 60.769 -0.369 18053 197 1 . 1 1 53 53 ILE CB C 483 40.227 40.227 38.566 1.661 18053 198 1 . 1 1 53 53 ILE H H 483 9.000 9.000 8.763 0.237 18053 199 1 . 1 1 54 54 LYS N N 484 124.737 124.737 128.355 -3.618 18053 200 1 . 1 1 54 54 LYS HA H 484 5.463 5.463 4.939 0.524 18053 201 1 . 1 1 54 54 LYS C C 484 175.575 175.575 176.099 -0.524 18053 202 1 . 1 1 54 54 LYS CA C 484 54.613 54.613 56.173 -1.560 18053 203 1 . 1 1 54 54 LYS CB C 484 35.041 35.041 33.551 1.490 18053 204 1 . 1 1 54 54 LYS H H 484 9.678 9.678 8.675 1.003 18053 205 1 . 1 1 55 55 ARG N N 485 124.090 124.090 124.084 0.006 18053 206 1 . 1 1 55 55 ARG HA H 485 5.525 5.525 4.840 0.685 18053 207 1 . 1 1 55 55 ARG C C 485 174.155 174.155 174.516 -0.361 18053 208 1 . 1 1 55 55 ARG CA C 485 53.903 53.903 55.275 -1.372 18053 209 1 . 1 1 55 55 ARG H H 485 9.314 9.314 8.748 0.566 18053 210 1 . 1 1 56 56 GLN N N 486 126.576 126.576 126.710 -0.134 18053 211 1 . 1 1 56 56 GLN HA H 486 4.842 4.842 4.823 0.019 18053 212 1 . 1 1 56 56 GLN C C 486 174.991 174.991 174.638 0.353 18053 213 1 . 1 1 56 56 GLN CA C 486 54.831 54.831 54.659 0.172 18053 214 1 . 1 1 56 56 GLN CB C 486 31.465 31.465 29.995 1.470 18053 215 1 . 1 1 56 56 GLN H H 486 8.831 8.831 8.526 0.305 18053 216 1 . 1 1 57 57 VAL N N 487 126.712 126.712 125.328 1.384 18053 217 1 . 1 1 57 57 VAL HA H 487 4.266 4.266 4.247 0.019 18053 218 1 . 1 1 57 57 VAL C C 487 175.916 175.916 177.603 -1.687 18053 219 1 . 1 1 57 57 VAL CA C 487 61.820 61.820 62.146 -0.326 18053 220 1 . 1 1 57 57 VAL CB C 487 32.803 32.803 32.405 0.398 18053 221 1 . 1 1 57 57 VAL H H 487 8.786 8.786 8.595 0.191 18053 222 1 . 1 1 58 58 LEU N N 488 127.274 127.274 124.884 2.390 18053 223 1 . 1 1 58 58 LEU HA H 488 4.085 4.085 4.146 -0.061 18053 224 1 . 1 1 58 58 LEU C C 488 177.158 177.158 177.962 -0.804 18053 225 1 . 1 1 58 58 LEU CA C 488 56.906 56.906 57.816 -0.910 18053 226 1 . 1 1 58 58 LEU CB C 488 41.374 41.374 41.611 -0.237 18053 227 1 . 1 1 58 58 LEU H H 488 8.316 8.316 8.461 -0.145 18053 228 1 . 1 1 59 59 GLU N N 489 119.647 119.647 118.535 1.112 18053 229 1 . 1 1 59 59 GLU HA H 489 4.112 4.112 4.219 -0.107 18053 230 1 . 1 1 59 59 GLU C C 489 176.230 176.230 177.289 -1.059 18053 231 1 . 1 1 59 59 GLU CA C 489 57.015 57.015 56.870 0.145 18053 232 1 . 1 1 59 59 GLU CB C 489 28.149 28.149 29.663 -1.514 18053 233 1 . 1 1 59 59 GLU H H 489 8.636 8.636 8.241 0.395 18053 234 1 . 1 1 60 60 GLY N N 490 108.819 108.819 107.325 1.494 18053 235 1 . 1 1 60 60 GLY C C 490 173.568 173.568 173.681 -0.114 18053 236 1 . 1 1 60 60 GLY CA C 490 44.773 44.773 44.841 -0.068 18053 237 1 . 1 1 60 60 GLY H H 490 8.160 8.160 7.817 0.343 18053 238 1 . 1 1 61 61 GLU N N 491 121.009 121.009 121.856 -0.847 18053 239 1 . 1 1 61 61 GLU HA H 491 4.323 4.323 4.387 -0.064 18053 240 1 . 1 1 61 61 GLU C C 491 175.725 175.725 175.302 0.423 18053 241 1 . 1 1 61 61 GLU CA C 491 56.196 56.196 55.912 0.284 18053 242 1 . 1 1 61 61 GLU CB C 491 30.865 30.865 29.974 0.891 18053 243 1 . 1 1 61 61 GLU H H 491 8.320 8.320 8.272 0.048 18053 244 1 . 1 1 62 62 GLU N N 492 123.426 123.426 123.865 -0.439 18053 245 1 . 1 1 62 62 GLU HA H 492 5.054 5.054 5.221 -0.167 18053 246 1 . 1 1 62 62 GLU C C 492 175.930 175.930 176.097 -0.167 18053 247 1 . 1 1 62 62 GLU CA C 492 55.650 55.650 54.872 0.778 18053 248 1 . 1 1 62 62 GLU CB C 492 32.312 32.312 30.787 1.525 18053 249 1 . 1 1 62 62 GLU H H 492 8.594 8.594 8.537 0.057 18053 250 1 . 1 1 63 63 ILE N N 493 119.732 119.732 118.295 1.437 18053 251 1 . 1 1 63 63 ILE HA H 493 4.788 4.788 4.758 0.030 18053 252 1 . 1 1 63 63 ILE C C 493 174.647 174.647 174.324 0.323 18053 253 1 . 1 1 63 63 ILE CA C 493 60.181 60.181 59.714 0.467 18053 254 1 . 1 1 63 63 ILE CB C 493 41.183 41.183 41.066 0.117 18053 255 1 . 1 1 63 63 ILE H H 493 8.523 8.523 8.219 0.304 18053 256 1 . 1 1 64 64 ALA N N 494 122.166 122.166 124.760 -2.594 18053 257 1 . 1 1 64 64 ALA HA H 494 5.521 5.521 5.025 0.496 18053 258 1 . 1 1 64 64 ALA C C 494 174.606 174.606 175.918 -1.312 18053 259 1 . 1 1 64 64 ALA CA C 494 51.528 51.528 51.066 0.462 18053 260 1 . 1 1 64 64 ALA CB C 494 22.239 22.239 20.951 1.288 18053 261 1 . 1 1 64 64 ALA H H 494 8.741 8.741 8.359 0.382 18053 262 1 . 1 1 65 65 TYR N N 495 126.729 126.729 126.447 0.282 18053 263 1 . 1 1 65 65 TYR HA H 495 3.094 3.094 3.630 -0.536 18053 264 1 . 1 1 65 65 TYR C C 495 173.036 173.036 173.777 -0.741 18053 265 1 . 1 1 65 65 TYR CA C 495 56.905 56.905 56.423 0.482 18053 266 1 . 1 1 65 65 TYR CB C 495 40.269 40.269 38.837 1.432 18053 267 1 . 1 1 65 65 TYR H H 495 8.462 8.462 8.495 -0.033 18053 268 1 . 1 1 66 66 LYS N N 496 128.108 128.108 126.758 1.350 18053 269 1 . 1 1 66 66 LYS HA H 496 4.822 4.822 4.377 0.445 18053 270 1 . 1 1 66 66 LYS C C 496 174.906 174.906 174.892 0.014 18053 271 1 . 1 1 66 66 LYS CA C 496 53.739 53.739 54.900 -1.161 18053 272 1 . 1 1 66 66 LYS CB C 496 34.782 34.782 33.200 1.582 18053 273 1 . 1 1 66 66 LYS H H 496 7.010 7.010 7.417 -0.407 18053 274 1 . 1 1 67 67 PHE N N 497 125.299 125.299 122.045 3.254 18053 275 1 . 1 1 67 67 PHE HA H 497 3.932 3.932 4.162 -0.230 18053 276 1 . 1 1 67 67 PHE C C 497 177.990 177.990 175.726 2.264 18053 277 1 . 1 1 67 67 PHE CA C 497 59.007 59.007 57.901 1.106 18053 278 1 . 1 1 67 67 PHE CB C 497 40.981 40.981 40.240 0.741 18053 279 1 . 1 1 67 67 PHE H H 497 8.509 8.509 8.144 0.365 18053 280 1 . 1 1 68 68 THR N N 498 116.191 116.191 112.192 3.999 18053 281 1 . 1 1 68 68 THR HA H 498 4.417 4.417 4.654 -0.237 18053 282 1 . 1 1 68 68 THR CA C 498 60.855 60.855 59.317 1.538 18053 283 1 . 1 1 68 68 THR CB C 498 68.019 68.019 69.389 -1.370 18053 284 1 . 1 1 68 68 THR H H 498 8.688 8.688 8.372 0.316 18053 285 1 . 1 1 69 69 PRO HA H 499 3.948 3.948 4.561 -0.613 18053 286 1 . 1 1 69 69 PRO C C 499 177.444 177.444 177.022 0.422 18053 287 1 . 1 1 69 69 PRO CA C 499 66.077 66.077 64.622 1.455 18053 288 1 . 1 1 69 69 PRO CB C 499 32.776 32.776 31.935 0.841 18053 289 1 . 1 1 70 70 LYS N N 500 113.552 113.552 115.566 -2.013 18053 290 1 . 1 1 70 70 LYS HA H 500 4.385 4.385 4.183 0.202 18053 291 1 . 1 1 70 70 LYS C C 500 176.325 176.325 176.472 -0.147 18053 292 1 . 1 1 70 70 LYS CA C 500 54.995 54.995 56.668 -1.673 18053 293 1 . 1 1 70 70 LYS CB C 500 31.793 31.793 31.959 -0.166 18053 294 1 . 1 1 70 70 LYS H H 500 8.016 8.016 7.979 0.037 18053 295 1 . 1 1 71 71 TYR N N 501 121.860 121.860 121.762 0.098 18053 296 1 . 1 1 71 71 TYR HA H 501 3.730 3.730 4.404 -0.674 18053 297 1 . 1 1 71 71 TYR C C 501 174.838 174.838 173.936 0.902 18053 298 1 . 1 1 71 71 TYR CA C 501 62.310 62.310 59.067 3.243 18053 299 1 . 1 1 71 71 TYR CB C 501 38.781 38.781 39.407 -0.626 18053 300 1 . 1 1 71 71 TYR H H 501 7.460 7.460 7.731 -0.271 18053 301 1 . 1 1 72 72 ILE N N 502 129.487 129.487 126.898 2.589 18053 302 1 . 1 1 72 72 ILE HA H 502 3.928 3.928 4.326 -0.398 18053 303 1 . 1 1 72 72 ILE C C 502 172.968 172.968 173.796 -0.828 18053 304 1 . 1 1 72 72 ILE CA C 502 59.308 59.308 59.501 -0.193 18053 305 1 . 1 1 72 72 ILE CB C 502 40.910 40.910 40.934 -0.024 18053 306 1 . 1 1 72 72 ILE H H 502 7.168 7.168 7.830 -0.662 18053 307 1 . 1 1 73 73 LEU N N 503 128.278 128.278 127.890 0.388 18053 308 1 . 1 1 73 73 LEU HA H 503 4.493 4.493 4.496 -0.003 18053 309 1 . 1 1 73 73 LEU C C 503 175.834 175.834 175.252 0.582 18053 310 1 . 1 1 73 73 LEU CA C 503 51.965 51.965 53.207 -1.242 18053 311 1 . 1 1 73 73 LEU CB C 503 42.548 42.548 44.147 -1.599 18053 312 1 . 1 1 73 73 LEU H H 503 8.483 8.483 8.413 0.070 18053 313 1 . 1 1 74 74 ARG N N 504 129.589 129.589 124.562 5.027 18053 314 1 . 1 1 74 74 ARG HA H 504 3.743 3.743 4.357 -0.614 18053 315 1 . 1 1 74 74 ARG C C 504 175.233 175.233 175.784 -0.551 18053 316 1 . 1 1 74 74 ARG CA C 504 56.851 56.851 55.112 1.739 18053 317 1 . 1 1 74 74 ARG CB C 504 30.292 30.292 30.903 -0.611 18053 318 1 . 1 1 74 74 ARG H H 504 8.673 8.673 8.393 0.280 18053 319 1 . 1 1 75 75 ALA N N 505 123.205 123.205 124.373 -1.168 18053 320 1 . 1 1 75 75 ALA HA H 505 3.522 3.522 4.186 -0.664 18053 321 1 . 1 1 75 75 ALA C C 505 178.441 178.441 178.151 0.290 18053 322 1 . 1 1 75 75 ALA CA C 505 53.794 53.794 53.051 0.743 18053 323 1 . 1 1 75 75 ALA CB C 505 18.910 18.910 18.416 0.494 18053 324 1 . 1 1 75 75 ALA H H 505 8.564 8.564 8.309 0.255 18053 325 1 . 1 1 76 76 GLY N N 506 112.241 112.241 112.645 -0.404 18053 326 1 . 1 1 76 76 GLY C C 506 174.278 174.278 174.599 -0.321 18053 327 1 . 1 1 76 76 GLY CA C 506 46.725 46.725 45.323 1.402 18053 328 1 . 1 1 76 76 GLY H H 506 7.381 7.381 8.571 -1.190 18053 329 1 . 1 1 77 77 GLN N N 507 117.382 117.382 119.370 -1.988 18053 330 1 . 1 1 77 77 GLN HA H 507 4.364 4.364 4.582 -0.218 18053 331 1 . 1 1 77 77 GLN C C 507 173.937 173.937 174.814 -0.877 18053 332 1 . 1 1 77 77 GLN CA C 507 54.558 54.558 54.587 -0.029 18053 333 1 . 1 1 77 77 GLN CB C 507 30.073 30.073 30.438 -0.365 18053 334 1 . 1 1 77 77 GLN H H 507 7.996 7.996 7.652 0.344 18053 335 1 . 1 1 78 78 MET N N 508 116.957 116.957 115.730 1.227 18053 336 1 . 1 1 78 78 MET HA H 508 5.388 5.388 4.949 0.439 18053 337 1 . 1 1 78 78 MET C C 508 175.807 175.807 174.189 1.618 18053 338 1 . 1 1 78 78 MET CA C 508 54.067 54.067 54.597 -0.530 18053 339 1 . 1 1 78 78 MET CB C 508 37.198 37.198 36.236 0.962 18053 340 1 . 1 1 78 78 MET H H 508 8.092 8.092 8.282 -0.190 18053 341 1 . 1 1 79 79 VAL N N 509 119.340 119.340 121.394 -2.054 18053 342 1 . 1 1 79 79 VAL HA H 509 4.956 4.956 4.759 0.197 18053 343 1 . 1 1 79 79 VAL C C 509 172.217 172.217 174.393 -2.176 18053 344 1 . 1 1 79 79 VAL CA C 509 59.471 59.471 60.422 -0.951 18053 345 1 . 1 1 79 79 VAL CB C 509 33.676 33.676 35.015 -1.339 18053 346 1 . 1 1 79 79 VAL H H 509 8.534 8.534 8.556 -0.022 18053 347 1 . 1 1 80 80 THR N N 510 124.533 124.533 125.841 -1.308 18053 348 1 . 1 1 80 80 THR HA H 510 4.586 4.586 4.885 -0.299 18053 349 1 . 1 1 80 80 THR C C 510 172.215 172.215 174.056 -1.841 18053 350 1 . 1 1 80 80 THR CA C 510 62.119 62.119 61.842 0.277 18053 351 1 . 1 1 80 80 THR CB C 510 69.407 69.407 69.189 0.218 18053 352 1 . 1 1 80 80 THR H H 510 8.301 8.301 8.771 -0.470 18053 353 1 . 1 1 81 81 VAL N N 511 127.002 127.002 127.435 -0.433 18053 354 1 . 1 1 81 81 VAL HA H 511 4.596 4.596 4.618 -0.022 18053 355 1 . 1 1 81 81 VAL C C 511 176.667 176.667 175.557 1.110 18053 356 1 . 1 1 81 81 VAL CA C 511 61.382 61.382 61.970 -0.588 18053 357 1 . 1 1 81 81 VAL CB C 511 30.945 30.945 31.160 -0.215 18053 358 1 . 1 1 81 81 VAL H H 511 8.796 8.796 8.705 0.090 18053 359 1 . 1 1 82 82 TRP N N 512 131.479 131.479 129.270 2.209 18053 360 1 . 1 1 82 82 TRP HA H 512 5.338 5.338 5.286 0.052 18053 361 1 . 1 1 82 82 TRP C C 512 176.885 176.885 175.486 1.399 18053 362 1 . 1 1 82 82 TRP CA C 512 56.442 56.442 56.924 -0.482 18053 363 1 . 1 1 82 82 TRP CB C 512 30.701 30.701 31.553 -0.852 18053 364 1 . 1 1 82 82 TRP H H 512 9.924 9.924 9.148 0.776 18053 365 1 . 1 1 83 83 ALA N N 513 123.954 123.954 120.760 3.193 18053 366 1 . 1 1 83 83 ALA HA H 513 4.308 4.308 4.862 -0.554 18053 367 1 . 1 1 83 83 ALA C C 513 178.140 178.140 178.006 0.134 18053 368 1 . 1 1 83 83 ALA CA C 513 52.211 52.211 50.553 1.658 18053 369 1 . 1 1 83 83 ALA CB C 513 18.745 18.745 20.614 -1.869 18053 370 1 . 1 1 83 83 ALA H H 513 9.048 9.048 8.652 0.396 18053 371 1 . 1 1 84 84 ALA N N 514 125.146 125.146 124.769 0.377 18053 372 1 . 1 1 84 84 ALA HA H 514 3.951 3.951 4.130 -0.179 18053 373 1 . 1 1 84 84 ALA C C 514 179.519 179.519 178.981 0.538 18053 374 1 . 1 1 84 84 ALA CA C 514 54.804 54.804 54.795 0.009 18053 375 1 . 1 1 84 84 ALA CB C 514 18.582 18.582 19.044 -0.462 18053 376 1 . 1 1 84 84 ALA H H 514 8.341 8.341 8.294 0.047 18053 377 1 . 1 1 85 85 GLY N N 515 103.388 103.388 104.682 -1.294 18053 378 1 . 1 1 85 85 GLY C C 515 174.674 174.674 174.839 -0.165 18053 379 1 . 1 1 85 85 GLY CA C 515 45.878 45.878 45.056 0.822 18053 380 1 . 1 1 85 85 GLY H H 515 7.996 7.996 7.868 0.128 18053 381 1 . 1 1 86 86 ALA N N 516 120.140 120.140 123.108 -2.968 18053 382 1 . 1 1 86 86 ALA HA H 516 4.344 4.344 4.479 -0.135 18053 383 1 . 1 1 86 86 ALA C C 516 177.690 177.690 178.039 -0.349 18053 384 1 . 1 1 86 86 ALA CA C 516 53.139 53.139 52.191 0.948 18053 385 1 . 1 1 86 86 ALA CB C 516 20.547 20.547 19.319 1.228 18053 386 1 . 1 1 86 86 ALA H H 516 7.474 7.474 7.362 0.112 18053 387 1 . 1 1 87 87 GLY N N 517 105.720 105.720 107.509 -1.789 18053 388 1 . 1 1 87 87 GLY C C 517 173.650 173.650 174.407 -0.757 18053 389 1 . 1 1 87 87 GLY CA C 517 46.014 46.014 45.356 0.658 18053 390 1 . 1 1 87 87 GLY H H 517 7.779 7.779 7.914 -0.135 18053 391 1 . 1 1 88 88 VAL N N 518 121.537 121.537 119.147 2.390 18053 392 1 . 1 1 88 88 VAL HA H 518 3.585 3.585 4.104 -0.519 18053 393 1 . 1 1 88 88 VAL C C 518 174.851 174.851 174.885 -0.034 18053 394 1 . 1 1 88 88 VAL CA C 518 61.274 61.274 61.022 0.252 18053 395 1 . 1 1 88 88 VAL CB C 518 33.376 33.376 33.130 0.246 18053 396 1 . 1 1 88 88 VAL H H 518 7.499 7.499 7.677 -0.178 18053 397 1 . 1 1 89 89 ALA N N 519 128.295 128.295 129.530 -1.235 18053 398 1 . 1 1 89 89 ALA HA H 519 4.192 4.192 4.385 -0.193 18053 399 1 . 1 1 89 89 ALA C C 519 176.680 176.680 176.571 0.109 18053 400 1 . 1 1 89 89 ALA CA C 519 51.283 51.283 51.459 -0.176 18053 401 1 . 1 1 89 89 ALA CB C 519 19.292 19.292 19.318 -0.026 18053 402 1 . 1 1 89 89 ALA H H 519 7.960 7.960 8.122 -0.162 18053 403 1 . 1 1 90 90 HIS N N 520 122.643 122.643 123.790 -1.147 18053 404 1 . 1 1 90 90 HIS HA H 520 4.033 4.033 4.396 -0.363 18053 405 1 . 1 1 90 90 HIS C C 520 175.793 175.793 174.452 1.341 18053 406 1 . 1 1 90 90 HIS CA C 520 58.653 58.653 56.194 2.459 18053 407 1 . 1 1 90 90 HIS CB C 520 32.285 32.285 29.832 2.453 18053 408 1 . 1 1 90 90 HIS H H 520 8.394 8.394 8.827 -0.433 18053 409 1 . 1 1 91 91 SER N N 521 121.247 121.247 123.709 -2.462 18053 410 1 . 1 1 91 91 SER HA H 521 4.629 4.629 4.725 -0.096 18053 411 1 . 1 1 91 91 SER CA C 521 55.843 55.843 55.980 -0.137 18053 412 1 . 1 1 91 91 SER CB C 521 62.367 62.367 63.515 -1.148 18053 413 1 . 1 1 91 91 SER H H 521 8.569 8.569 8.404 0.165 18053 414 1 . 1 1 92 92 PRO HA H 522 4.002 4.002 4.806 -0.804 18053 415 1 . 1 1 92 92 PRO CA C 522 62.244 62.244 62.280 -0.036 18053 416 1 . 1 1 92 92 PRO CB C 522 30.931 30.931 31.509 -0.578 18053 417 1 . 1 1 93 93 PRO HA H 523 4.672 4.672 4.819 -0.147 18053 418 1 . 1 1 93 93 PRO C C 523 177.786 177.786 177.891 -0.105 18053 419 1 . 1 1 93 93 PRO CA C 523 64.003 64.003 63.934 0.069 18053 420 1 . 1 1 93 93 PRO CB C 523 34.905 34.905 32.451 2.454 18053 421 1 . 1 1 94 94 SER N N 524 117.212 117.212 116.671 0.541 18053 422 1 . 1 1 94 94 SER HA H 524 4.678 4.678 4.550 0.128 18053 423 1 . 1 1 94 94 SER C C 524 174.851 174.851 174.565 0.286 18053 424 1 . 1 1 94 94 SER CA C 524 61.874 61.874 60.965 0.908 18053 425 1 . 1 1 94 94 SER CB C 524 64.057 64.057 63.843 0.214 18053 426 1 . 1 1 94 94 SER H H 524 8.463 8.463 8.160 0.303 18053 427 1 . 1 1 95 95 THR N N 525 121.588 121.588 119.117 2.471 18053 428 1 . 1 1 95 95 THR HA H 525 4.859 4.859 5.012 -0.153 18053 429 1 . 1 1 95 95 THR C C 525 172.094 172.094 173.061 -0.967 18053 430 1 . 1 1 95 95 THR CA C 525 62.309 62.309 62.130 0.179 18053 431 1 . 1 1 95 95 THR CB C 525 70.281 70.281 69.415 0.866 18053 432 1 . 1 1 95 95 THR H H 525 7.631 7.631 7.962 -0.331 18053 433 1 . 1 1 96 96 LEU N N 526 127.274 127.274 129.134 -1.860 18053 434 1 . 1 1 96 96 LEU HA H 526 5.131 5.131 4.998 0.133 18053 435 1 . 1 1 96 96 LEU C C 526 175.916 175.916 175.579 0.337 18053 436 1 . 1 1 96 96 LEU CA C 526 52.075 52.075 54.110 -2.035 18053 437 1 . 1 1 96 96 LEU CB C 526 43.790 43.790 43.846 -0.056 18053 438 1 . 1 1 96 96 LEU H H 526 8.977 8.977 8.331 0.646 18053 439 1 . 1 1 97 97 VAL N N 527 124.056 124.056 121.649 2.407 18053 440 1 . 1 1 97 97 VAL HA H 527 4.869 4.869 4.536 0.333 18053 441 1 . 1 1 97 97 VAL C C 527 176.230 176.230 175.244 0.986 18053 442 1 . 1 1 97 97 VAL CA C 527 61.519 61.519 61.288 0.231 18053 443 1 . 1 1 97 97 VAL CB C 527 33.704 33.704 33.655 0.049 18053 444 1 . 1 1 97 97 VAL H H 527 10.724 10.724 8.008 2.716 18053 445 1 . 1 1 98 98 TRP N N 528 132.586 132.586 131.085 1.501 18053 446 1 . 1 1 98 98 TRP HA H 528 4.965 4.965 4.346 0.619 18053 447 1 . 1 1 98 98 TRP C C 528 173.391 173.391 174.601 -1.210 18053 448 1 . 1 1 98 98 TRP CA C 528 53.303 53.303 55.159 -1.855 18053 449 1 . 1 1 98 98 TRP CB C 528 28.245 28.245 28.405 -0.160 18053 450 1 . 1 1 98 98 TRP H H 528 9.400 9.400 8.811 0.589 18053 451 1 . 1 1 99 99 LYS N N 529 126.644 126.644 128.447 -1.803 18053 452 1 . 1 1 99 99 LYS HA H 529 3.839 3.839 4.132 -0.293 18053 453 1 . 1 1 99 99 LYS C C 529 177.581 177.581 177.219 0.362 18053 454 1 . 1 1 99 99 LYS CA C 529 58.543 58.543 57.369 1.174 18053 455 1 . 1 1 99 99 LYS CB C 529 32.176 32.176 32.629 -0.453 18053 456 1 . 1 1 99 99 LYS H H 529 8.153 8.153 8.043 0.110 18053 457 1 . 1 1 100 100 GLY N N 530 110.385 110.385 113.239 -2.854 18053 458 1 . 1 1 100 100 GLY C C 530 172.367 172.367 173.711 -1.344 18053 459 1 . 1 1 100 100 GLY CA C 530 45.278 45.278 44.852 0.426 18053 460 1 . 1 1 100 100 GLY H H 530 8.363 8.363 8.567 -0.204 18053 461 1 . 1 1 101 101 GLN N N 531 121.162 121.162 121.853 -0.691 18053 462 1 . 1 1 101 101 GLN HA H 531 3.972 3.972 4.225 -0.253 18053 463 1 . 1 1 101 101 GLN CA C 531 52.620 52.620 53.958 -1.338 18053 464 1 . 1 1 101 101 GLN CB C 531 27.595 27.595 28.343 -0.748 18053 465 1 . 1 1 101 101 GLN H H 531 6.815 6.815 7.287 -0.472 18053 466 1 . 1 1 102 102 SER N N 532 122.728 122.728 122.185 0.543 18053 467 1 . 1 1 102 102 SER HA H 532 3.866 3.866 4.402 -0.536 18053 468 1 . 1 1 102 102 SER C C 532 174.537 174.537 175.843 -1.306 18053 469 1 . 1 1 102 102 SER CA C 532 61.983 61.983 60.991 0.992 18053 470 1 . 1 1 102 102 SER CB C 532 62.802 62.802 63.265 -0.463 18053 471 1 . 1 1 102 102 SER H H 532 8.662 8.662 8.694 -0.032 18053 472 1 . 1 1 103 103 SER N N 533 110.811 110.811 116.159 -5.348 18053 473 1 . 1 1 103 103 SER HA H 533 4.240 4.240 4.430 -0.190 18053 474 1 . 1 1 103 103 SER C C 533 174.087 174.087 174.450 -0.363 18053 475 1 . 1 1 103 103 SER CA C 533 56.633 56.633 58.880 -2.247 18053 476 1 . 1 1 103 103 SER CB C 533 64.658 64.658 63.648 1.010 18053 477 1 . 1 1 103 103 SER H H 533 7.134 7.134 7.839 -0.705 18053 478 1 . 1 1 104 104 TRP N N 534 126.133 126.133 121.156 4.977 18053 479 1 . 1 1 104 104 TRP HA H 534 4.098 4.098 4.151 -0.053 18053 480 1 . 1 1 104 104 TRP C C 534 176.066 176.066 175.489 0.577 18053 481 1 . 1 1 104 104 TRP CA C 534 60.127 60.127 57.605 2.522 18053 482 1 . 1 1 104 104 TRP CB C 534 28.764 28.764 28.750 0.014 18053 483 1 . 1 1 104 104 TRP H H 534 9.764 9.764 7.829 1.935 18053 484 1 . 1 1 105 105 GLY N N 535 105.907 105.907 105.620 0.287 18053 485 1 . 1 1 105 105 GLY C C 535 172.217 172.217 174.047 -1.830 18053 486 1 . 1 1 105 105 GLY CA C 535 44.240 44.240 44.932 -0.692 18053 487 1 . 1 1 105 105 GLY H H 535 8.095 8.095 7.864 0.231 18053 488 1 . 1 1 106 106 THR N N 536 111.253 111.253 113.702 -2.449 18053 489 1 . 1 1 106 106 THR HA H 536 3.859 3.859 4.245 -0.386 18053 490 1 . 1 1 106 106 THR C C 536 172.872 172.872 174.324 -1.452 18053 491 1 . 1 1 106 106 THR CA C 536 59.635 59.635 61.991 -2.356 18053 492 1 . 1 1 106 106 THR CB C 536 70.526 70.526 69.652 0.874 18053 493 1 . 1 1 106 106 THR H H 536 7.913 7.913 7.733 0.180 18053 494 1 . 1 1 107 107 GLY N N 537 107.712 107.712 111.850 -4.138 18053 495 1 . 1 1 107 107 GLY C C 537 172.709 172.709 173.190 -0.481 18053 496 1 . 1 1 107 107 GLY CA C 537 45.166 45.166 45.164 0.002 18053 497 1 . 1 1 107 107 GLY H H 537 7.533 7.533 8.004 -0.471 18053 498 1 . 1 1 108 108 GLU N N 538 118.864 118.864 119.261 -0.396 18053 499 1 . 1 1 108 108 GLU HA H 538 4.136 4.136 4.246 -0.110 18053 500 1 . 1 1 108 108 GLU C C 538 176.353 176.353 175.650 0.702 18053 501 1 . 1 1 108 108 GLU CA C 538 58.352 58.352 57.865 0.487 18053 502 1 . 1 1 108 108 GLU CB C 538 30.156 30.156 30.450 -0.294 18053 503 1 . 1 1 108 108 GLU H H 538 8.558 8.558 8.658 -0.100 18053 504 1 . 1 1 109 109 SER N N 539 110.419 110.419 112.890 -2.471 18053 505 1 . 1 1 109 109 SER HA H 539 4.963 4.963 4.898 0.065 18053 506 1 . 1 1 109 109 SER C C 539 173.787 173.787 172.711 1.076 18053 507 1 . 1 1 109 109 SER CA C 539 57.125 57.125 57.538 -0.413 18053 508 1 . 1 1 109 109 SER CB C 539 64.439 64.439 65.152 -0.713 18053 509 1 . 1 1 109 109 SER H H 539 7.620 7.620 7.739 -0.119 18053 510 1 . 1 1 110 110 PHE N N 540 118.778 118.778 118.960 -0.182 18053 511 1 . 1 1 110 110 PHE HA H 540 5.081 5.081 5.241 -0.160 18053 512 1 . 1 1 110 110 PHE C C 540 176.052 176.052 173.266 2.786 18053 513 1 . 1 1 110 110 PHE CA C 540 56.789 56.789 56.474 0.315 18053 514 1 . 1 1 110 110 PHE CB C 540 40.760 40.760 41.973 -1.213 18053 515 1 . 1 1 110 110 PHE H H 540 8.318 8.318 8.540 -0.222 18053 516 1 . 1 1 112 112 THR HA H 542 5.468 5.468 4.930 0.538 18053 517 1 . 1 1 112 112 THR C C 542 172.381 172.381 173.580 -1.199 18053 518 1 . 1 1 112 112 THR CA C 542 61.818 61.818 62.845 -1.027 18053 519 1 . 1 1 112 112 THR CB C 542 70.990 70.990 69.703 1.287 18053 520 1 . 1 1 113 113 VAL N N 543 124.771 124.771 127.248 -2.477 18053 521 1 . 1 1 113 113 VAL HA H 543 4.864 4.864 4.520 0.345 18053 522 1 . 1 1 113 113 VAL C C 543 173.132 173.132 174.050 -0.919 18053 523 1 . 1 1 113 113 VAL CA C 543 60.099 60.099 61.015 -0.916 18053 524 1 . 1 1 113 113 VAL CB C 543 36.433 36.433 34.476 1.957 18053 525 1 . 1 1 113 113 VAL H H 543 9.380 9.380 8.822 0.558 18053 526 1 . 1 1 114 114 LEU N N 544 128.789 128.789 128.676 0.112 18053 527 1 . 1 1 114 114 LEU HA H 544 5.320 5.320 4.978 0.342 18053 528 1 . 1 1 114 114 LEU C C 544 174.237 174.237 174.999 -0.762 18053 529 1 . 1 1 114 114 LEU CA C 544 53.193 53.193 53.891 -0.698 18053 530 1 . 1 1 114 114 LEU CB C 544 45.879 45.879 44.161 1.718 18053 531 1 . 1 1 114 114 LEU H H 544 8.948 8.948 8.479 0.469 18053 532 1 . 1 1 115 115 VAL N N 545 127.002 127.002 126.365 0.637 18053 533 1 . 1 1 115 115 VAL HA H 545 4.854 4.854 4.668 0.186 18053 534 1 . 1 1 115 115 VAL C C 545 175.206 175.206 174.818 0.388 18053 535 1 . 1 1 115 115 VAL CA C 545 59.334 59.334 60.161 -0.827 18053 536 1 . 1 1 115 115 VAL CB C 545 34.495 34.495 34.557 -0.062 18053 537 1 . 1 1 115 115 VAL H H 545 9.564 9.564 8.850 0.714 18053 538 1 . 1 1 116 116 ASN N N 546 121.179 121.179 122.532 -1.353 18053 539 1 . 1 1 116 116 ASN HA H 546 2.897 2.897 3.786 -0.889 18053 540 1 . 1 1 116 116 ASN C C 546 176.885 176.885 175.355 1.530 18053 541 1 . 1 1 116 116 ASN CA C 546 50.409 50.409 51.129 -0.720 18053 542 1 . 1 1 116 116 ASN CB C 546 36.639 36.639 39.550 -2.911 18053 543 1 . 1 1 116 116 ASN H H 546 8.016 8.016 7.911 0.105 18053 544 1 . 1 1 117 117 ALA N N 547 119.834 119.834 121.382 -1.548 18053 545 1 . 1 1 117 117 ALA HA H 547 3.866 3.866 4.039 -0.173 18053 546 1 . 1 1 117 117 ALA C C 547 177.772 177.772 178.346 -0.574 18053 547 1 . 1 1 117 117 ALA CA C 547 54.504 54.504 54.458 0.046 18053 548 1 . 1 1 117 117 ALA CB C 547 18.200 18.200 18.450 -0.250 18053 549 1 . 1 1 117 117 ALA H H 547 6.444 6.444 8.122 -1.678 18053 550 1 . 1 1 118 118 ASP N N 548 115.646 115.646 117.399 -1.753 18053 551 1 . 1 1 118 118 ASP HA H 548 4.644 4.644 4.384 0.260 18053 552 1 . 1 1 118 118 ASP C C 548 176.052 176.052 177.435 -1.383 18053 553 1 . 1 1 118 118 ASP CA C 548 54.067 54.067 55.447 -1.380 18053 554 1 . 1 1 118 118 ASP CB C 548 41.674 41.674 41.261 0.414 18053 555 1 . 1 1 118 118 ASP H H 548 7.181 7.181 8.018 -0.837 18053 556 1 . 1 1 119 119 GLY N N 549 107.167 107.167 106.686 0.481 18053 557 1 . 1 1 119 119 GLY C C 549 173.841 173.841 173.714 0.127 18053 558 1 . 1 1 119 119 GLY CA C 549 45.455 45.455 44.734 0.721 18053 559 1 . 1 1 119 119 GLY H H 549 7.738 7.738 7.648 0.090 18053 560 1 . 1 1 120 120 GLU N N 550 121.196 121.196 120.474 0.722 18053 561 1 . 1 1 120 120 GLU HA H 550 4.112 4.112 4.289 -0.177 18053 562 1 . 1 1 120 120 GLU C C 550 175.588 175.588 175.621 -0.032 18053 563 1 . 1 1 120 120 GLU CA C 550 54.831 54.831 55.579 -0.748 18053 564 1 . 1 1 120 120 GLU CB C 550 29.937 29.937 30.355 -0.418 18053 565 1 . 1 1 120 120 GLU H H 550 7.587 7.587 7.774 -0.187 18053 566 1 . 1 1 121 121 GLU N N 551 123.886 123.886 123.794 0.092 18053 567 1 . 1 1 121 121 GLU HA H 551 4.276 4.276 4.291 -0.015 18053 568 1 . 1 1 121 121 GLU C C 551 176.817 176.817 176.400 0.417 18053 569 1 . 1 1 121 121 GLU CA C 551 56.796 56.796 56.519 0.277 18053 570 1 . 1 1 121 121 GLU CB C 551 28.955 28.955 29.014 -0.060 18053 571 1 . 1 1 121 121 GLU H H 551 8.697 8.697 8.718 -0.021 18053 572 1 . 1 1 122 122 VAL N N 552 120.055 120.055 120.428 -0.373 18053 573 1 . 1 1 122 122 VAL HA H 552 4.364 4.364 4.037 0.327 18053 574 1 . 1 1 122 122 VAL C C 552 175.998 175.998 175.298 0.701 18053 575 1 . 1 1 122 122 VAL CA C 552 61.655 61.655 62.801 -1.146 18053 576 1 . 1 1 122 122 VAL CB C 552 33.049 33.049 32.389 0.661 18053 577 1 . 1 1 122 122 VAL H H 552 8.845 8.845 8.130 0.715 18053 578 1 . 1 1 123 123 ALA N N 553 122.098 122.098 120.675 1.423 18053 579 1 . 1 1 123 123 ALA HA H 553 4.890 4.890 4.704 0.186 18053 580 1 . 1 1 123 123 ALA C C 553 175.261 175.261 175.082 0.179 18053 581 1 . 1 1 123 123 ALA CA C 553 52.757 52.757 51.449 1.308 18053 582 1 . 1 1 123 123 ALA CB C 553 22.267 22.267 21.930 0.337 18053 583 1 . 1 1 123 123 ALA H H 553 7.788 7.788 7.708 0.079 18053 584 1 . 1 1 124 124 MET N N 554 118.217 118.217 120.722 -2.505 18053 585 1 . 1 1 124 124 MET HA H 554 5.286 5.286 5.043 0.243 18053 586 1 . 1 1 124 124 MET C C 554 174.428 174.428 174.310 0.118 18053 587 1 . 1 1 124 124 MET CA C 554 55.104 55.104 55.569 -0.465 18053 588 1 . 1 1 124 124 MET CB C 554 35.342 35.342 36.264 -0.922 18053 589 1 . 1 1 124 124 MET H H 554 8.693 8.693 8.483 0.210 18053 590 1 . 1 1 125 125 ARG N N 555 122.132 122.132 126.180 -4.048 18053 591 1 . 1 1 125 125 ARG HA H 555 4.900 4.900 4.764 0.136 18053 592 1 . 1 1 125 125 ARG CA C 555 56.388 56.388 55.357 1.031 18053 593 1 . 1 1 125 125 ARG CB C 555 34.378 34.378 33.384 0.994 18053 594 1 . 1 1 125 125 ARG H H 555 8.919 8.919 8.980 -0.061 18053 595 1 . 1 1 126 126 THR HA H 556 4.685 4.685 4.515 0.170 18053 596 1 . 1 1 126 126 THR C C 556 172.436 172.436 173.730 -1.294 18053 597 1 . 1 1 126 126 THR CA C 556 61.382 61.382 62.651 -1.269 18053 598 1 . 1 1 126 126 THR CB C 556 70.444 70.444 69.349 1.095 18053 599 1 . 1 1 127 127 VAL N N 557 124.976 124.976 127.257 -2.281 18053 600 1 . 1 1 127 127 VAL HA H 557 4.146 4.146 4.176 -0.030 18053 601 1 . 1 1 127 127 VAL C C 557 173.937 173.937 173.711 0.226 18053 602 1 . 1 1 127 127 VAL CA C 557 61.109 61.109 60.496 0.613 18053 603 1 . 1 1 127 127 VAL CB C 557 33.759 33.759 33.727 0.032 18053 604 1 . 1 1 127 127 VAL H H 557 8.127 8.127 8.498 -0.371 18053 605 1 . 1 1 128 128 LYS N N 558 125.384 125.384 126.048 -0.664 18053 606 1 . 1 1 128 128 LYS HA H 558 4.706 4.706 4.499 0.206 18053 607 1 . 1 1 128 128 LYS C C 558 175.534 175.534 175.553 -0.019 18053 608 1 . 1 1 128 128 LYS CA C 558 54.886 54.886 53.748 1.138 18053 609 1 . 1 1 128 128 LYS CB C 558 34.673 34.673 33.692 0.981 18053 610 1 . 1 1 128 128 LYS H H 558 8.289 8.289 8.301 -0.012 18053 611 1 . 1 1 129 129 LYS N N 559 124.005 124.005 125.743 -1.738 18053 612 1 . 1 1 129 129 LYS HA H 559 4.310 4.310 4.158 0.152 18053 613 1 . 1 1 129 129 LYS C C 559 176.571 176.571 176.134 0.437 18053 614 1 . 1 1 129 129 LYS CA C 559 56.742 56.742 57.125 -0.384 18053 615 1 . 1 1 129 129 LYS CB C 559 33.362 33.362 31.827 1.535 18053 616 1 . 1 1 129 129 LYS H H 559 8.461 8.461 8.220 0.241 18053 617 1 . 1 1 130 130 SER N N 560 117.195 117.195 120.793 -3.598 18053 618 1 . 1 1 130 130 SER HA H 560 4.384 4.384 4.496 -0.112 18053 619 1 . 1 1 130 130 SER C C 560 174.565 174.565 174.059 0.506 18053 620 1 . 1 1 130 130 SER CA C 560 58.434 58.434 58.622 -0.188 18053 621 1 . 1 1 130 130 SER CB C 560 63.812 63.812 63.763 0.049 18053 622 1 . 1 1 130 130 SER H H 560 8.465 8.465 8.305 0.160 18053 623 1 . 1 1 131 131 SER N N 561 118.149 118.149 116.927 1.222 18053 624 1 . 1 1 131 131 SER HA H 561 4.412 4.412 4.477 -0.065 18053 625 1 . 1 1 131 131 SER C C 561 174.456 174.456 173.964 0.492 18053 626 1 . 1 1 131 131 SER CA C 561 58.489 58.489 58.165 0.324 18053 627 1 . 1 1 131 131 SER CB C 561 63.811 63.811 64.029 -0.218 18053 628 1 . 1 1 131 131 SER H H 561 8.336 8.336 8.019 0.317 18053 629 1 . 1 1 132 132 VAL N N 562 121.332 121.332 121.516 -0.184 18053 630 1 . 1 1 132 132 VAL HA H 562 4.035 4.035 4.151 -0.116 18053 631 1 . 1 1 132 132 VAL C C 562 176.066 176.066 175.459 0.607 18053 632 1 . 1 1 132 132 VAL CA C 562 62.446 62.446 62.542 -0.096 18053 633 1 . 1 1 132 132 VAL CB C 562 32.394 32.394 31.985 0.409 18053 634 1 . 1 1 132 132 VAL H H 562 7.982 7.982 8.400 -0.418 18053 635 1 . 1 1 133 133 MET N N 563 124.022 124.022 120.298 3.724 18053 636 1 . 1 1 133 133 MET HA H 563 4.385 4.385 4.499 -0.114 18053 637 1 . 1 1 133 133 MET C C 563 176.039 176.039 175.719 0.320 18053 638 1 . 1 1 133 133 MET CA C 563 55.350 55.350 55.465 -0.115 18053 639 1 . 1 1 133 133 MET CB C 563 32.503 32.503 32.808 -0.305 18053 640 1 . 1 1 133 133 MET H H 563 8.295 8.295 7.696 0.599 18053 641 1 . 1 1 134 134 ARG N N 564 122.677 122.677 122.478 0.199 18053 642 1 . 1 1 134 134 ARG HA H 564 4.262 4.262 4.413 -0.151 18053 643 1 . 1 1 134 134 ARG C C 564 176.298 176.298 175.882 0.416 18053 644 1 . 1 1 134 134 ARG CA C 564 56.087 56.087 55.664 0.423 18053 645 1 . 1 1 134 134 ARG CB C 564 30.702 30.702 30.902 -0.200 18053 646 1 . 1 1 134 134 ARG H H 564 8.295 8.295 8.433 -0.138 18053 647 1 . 1 1 135 135 GLU N N 565 121.945 121.945 122.218 -0.273 18053 648 1 . 1 1 135 135 GLU HA H 565 4.160 4.160 4.277 -0.117 18053 649 1 . 1 1 135 135 GLU C C 565 176.080 176.080 175.951 0.129 18053 650 1 . 1 1 135 135 GLU CA C 565 56.906 56.906 56.594 0.312 18053 651 1 . 1 1 135 135 GLU CB C 565 29.774 29.774 29.646 0.128 18053 652 1 . 1 1 135 135 GLU H H 565 8.470 8.470 8.661 -0.191 18053 653 1 . 1 1 136 136 ASN N N 566 118.761 118.761 121.721 -2.960 18053 654 1 . 1 1 136 136 ASN HA H 566 4.617 4.617 4.739 -0.122 18053 655 1 . 1 1 136 136 ASN C C 566 175.315 175.315 175.479 -0.164 18053 656 1 . 1 1 136 136 ASN CA C 566 53.193 53.193 53.526 -0.333 18053 657 1 . 1 1 136 136 ASN CB C 566 38.836 38.836 38.593 0.243 18053 658 1 . 1 1 136 136 ASN H H 566 8.341 8.341 8.563 -0.222 18053 659 1 . 1 1 137 137 GLU N N 567 121.349 121.349 121.501 -0.152 18053 660 1 . 1 1 137 137 GLU HA H 567 4.152 4.152 4.217 -0.065 18053 661 1 . 1 1 137 137 GLU C C 567 176.243 176.243 176.497 -0.254 18053 662 1 . 1 1 137 137 GLU CA C 567 56.906 56.906 57.610 -0.705 18053 663 1 . 1 1 137 137 GLU CB C 567 29.992 29.992 29.933 0.059 18053 664 1 . 1 1 137 137 GLU H H 567 8.349 8.349 8.421 -0.072 18053 665 1 . 1 1 138 138 ASN N N 568 118.761 118.761 118.490 0.271 18053 666 1 . 1 1 138 138 ASN HA H 568 4.712 4.712 4.720 -0.008 18053 667 1 . 1 1 138 138 ASN C C 568 174.551 174.551 174.663 -0.112 18053 668 1 . 1 1 138 138 ASN CA C 568 53.193 53.193 53.318 -0.125 18053 669 1 . 1 1 138 138 ASN CB C 568 39.327 39.327 38.605 0.722 18053 670 1 . 1 1 138 138 ASN H H 568 8.397 8.397 8.221 0.176 18053 stop_ save_