data_19179 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19179 _Entry.PDB_ID 2M7B 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 19179 _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 17 17 GLU C C 17 178.498 178.498 177.175 1.323 19179 2 1 1 . 1 1 18 18 ALA N N 18 117.689 117.689 123.036 -5.347 19179 3 1 1 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.130 0.244 19179 4 1 1 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.020 0.404 19179 5 1 1 . 1 1 18 18 ALA H H 18 8.085 8.085 7.831 0.254 19179 6 1 1 . 1 1 19 19 VAL C C 19 177.450 177.450 177.382 0.068 19179 7 1 1 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.793 1.019 19179 8 1 1 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.015 0.254 19179 9 1 1 . 1 1 20 20 TYR N N 20 116.865 116.865 119.650 -2.785 19179 10 1 1 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.162 -0.037 19179 11 1 1 . 1 1 20 20 TYR C C 20 179.914 179.914 178.561 1.353 19179 12 1 1 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.941 2.389 19179 13 1 1 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.583 -0.401 19179 14 1 1 . 1 1 20 20 TYR H H 20 8.138 8.138 7.799 0.339 19179 15 1 1 . 1 1 21 21 ILE N N 21 122.973 122.973 119.540 3.433 19179 16 1 1 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.645 0.013 19179 17 1 1 . 1 1 21 21 ILE C C 21 176.306 176.306 177.456 -1.150 19179 18 1 1 . 1 1 21 21 ILE CA C 21 66.099 66.099 64.173 1.926 19179 19 1 1 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.647 0.239 19179 20 1 1 . 1 1 21 21 ILE H H 21 8.112 8.112 8.448 -0.336 19179 21 1 1 . 1 1 22 22 ALA N N 22 122.302 122.302 122.304 -0.002 19179 22 1 1 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.004 -0.157 19179 23 1 1 . 1 1 22 22 ALA C C 22 179.987 179.987 179.733 0.254 19179 24 1 1 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.150 0.034 19179 25 1 1 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.463 0.471 19179 26 1 1 . 1 1 22 22 ALA H H 22 7.839 7.839 8.074 -0.235 19179 27 1 1 . 1 1 23 23 ILE N N 23 119.408 119.408 113.998 5.410 19179 28 1 1 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.128 0.242 19179 29 1 1 . 1 1 23 23 ILE C C 23 180.184 180.184 177.177 3.007 19179 30 1 1 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.537 0.168 19179 31 1 1 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.667 -0.325 19179 32 1 1 . 1 1 23 23 ILE H H 23 8.328 8.328 8.417 -0.089 19179 33 1 1 . 1 1 24 24 GLU N N 24 125.684 125.684 119.958 5.726 19179 34 1 1 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.142 -0.254 19179 35 1 1 . 1 1 24 24 GLU C C 24 178.861 178.861 178.002 0.859 19179 36 1 1 . 1 1 24 24 GLU CA C 24 52.588 52.588 57.998 -5.410 19179 37 1 1 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.138 -0.052 19179 38 1 1 . 1 1 24 24 GLU H H 24 8.344 8.344 8.453 -0.109 19179 39 1 1 . 1 1 25 25 ALA N N 25 117.589 117.589 120.283 -2.694 19179 40 1 1 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.256 -0.064 19179 41 1 1 . 1 1 25 25 ALA C C 25 177.866 177.866 177.562 0.304 19179 42 1 1 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.903 -0.443 19179 43 1 1 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.497 -0.166 19179 44 1 1 . 1 1 25 25 ALA H H 25 8.228 8.228 7.757 0.471 19179 45 1 1 . 1 1 26 26 GLY N N 26 129.923 129.923 104.936 24.987 19179 46 1 1 . 1 1 26 26 GLY C C 26 173.535 173.535 174.506 -0.971 19179 47 1 1 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.780 0.007 19179 48 1 1 . 1 1 26 26 GLY H H 26 8.189 8.189 7.423 0.766 19179 49 1 1 . 1 1 27 27 THR N N 27 119.446 119.446 116.705 2.741 19179 50 1 1 . 1 1 27 27 THR HA H 27 4.445 4.445 4.371 0.074 19179 51 1 1 . 1 1 27 27 THR C C 27 176.521 176.521 174.192 2.329 19179 52 1 1 . 1 1 27 27 THR CA C 27 66.568 66.568 65.476 1.092 19179 53 1 1 . 1 1 27 27 THR CB C 27 51.731 51.731 70.394 -18.663 19179 54 1 1 . 1 1 27 27 THR H H 27 7.919 7.919 8.440 -0.521 19179 55 1 1 . 1 1 28 28 LEU N N 28 119.632 119.632 115.905 3.727 19179 56 1 1 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.576 0.437 19179 57 1 1 . 1 1 28 28 LEU C C 28 173.798 173.798 174.183 -0.385 19179 58 1 1 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.072 -1.071 19179 59 1 1 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.777 2.044 19179 60 1 1 . 1 1 28 28 LEU H H 28 7.026 7.026 7.211 -0.185 19179 61 1 1 . 1 1 29 29 ALA N N 29 121.053 121.053 119.214 1.839 19179 62 1 1 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.433 -0.041 19179 63 1 1 . 1 1 29 29 ALA C C 29 173.471 173.471 173.668 -0.197 19179 64 1 1 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.844 0.839 19179 65 1 1 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.255 1.715 19179 66 1 1 . 1 1 29 29 ALA H H 29 8.856 8.856 7.682 1.174 19179 67 1 1 . 1 1 30 30 GLU N N 30 119.234 119.234 118.118 1.116 19179 68 1 1 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.620 0.179 19179 69 1 1 . 1 1 30 30 GLU C C 30 176.292 176.292 175.035 1.257 19179 70 1 1 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.378 -0.917 19179 71 1 1 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.008 2.127 19179 72 1 1 . 1 1 30 30 GLU H H 30 8.244 8.244 8.052 0.192 19179 73 1 1 . 1 1 31 31 CYS N N 31 129.774 129.774 123.046 6.728 19179 74 1 1 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.437 -0.125 19179 75 1 1 . 1 1 31 31 CYS C C 31 175.519 175.519 177.039 -1.520 19179 76 1 1 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.527 1.017 19179 77 1 1 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.649 0.939 19179 78 1 1 . 1 1 31 31 CYS H H 31 8.586 8.586 8.788 -0.202 19179 79 1 1 . 1 1 32 32 GLU N N 32 126.867 126.867 127.342 -0.475 19179 80 1 1 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.435 -0.346 19179 81 1 1 . 1 1 32 32 GLU C C 32 177.061 177.061 176.300 0.761 19179 82 1 1 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.648 0.080 19179 83 1 1 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.419 1.014 19179 84 1 1 . 1 1 32 32 GLU H H 32 8.756 8.756 8.869 -0.113 19179 85 1 1 . 1 1 33 33 VAL N N 33 122.528 122.528 116.193 6.335 19179 86 1 1 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.241 -0.423 19179 87 1 1 . 1 1 33 33 VAL C C 33 176.434 176.434 174.801 1.633 19179 88 1 1 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.010 2.122 19179 89 1 1 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.650 1.094 19179 90 1 1 . 1 1 33 33 VAL H H 33 8.935 8.935 7.888 1.047 19179 91 1 1 . 1 1 34 34 HIS N N 34 126.015 126.015 119.802 6.213 19179 92 1 1 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.890 -0.315 19179 93 1 1 . 1 1 34 34 HIS C C 34 173.077 173.077 173.926 -0.849 19179 94 1 1 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.739 2.896 19179 95 1 1 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.139 -0.350 19179 96 1 1 . 1 1 34 34 HIS H H 34 8.834 8.834 7.699 1.135 19179 97 1 1 . 1 1 35 35 GLU N N 35 122.059 122.059 125.642 -3.583 19179 98 1 1 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.302 -0.205 19179 99 1 1 . 1 1 35 35 GLU C C 35 178.839 178.839 177.443 1.396 19179 100 1 1 . 1 1 35 35 GLU CA C 35 58.068 58.068 56.957 1.111 19179 101 1 1 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.909 -0.176 19179 102 1 1 . 1 1 35 35 GLU H H 35 7.643 7.643 8.797 -1.154 19179 103 1 1 . 1 1 36 36 GLY N N 36 114.969 114.969 115.526 -0.557 19179 104 1 1 . 1 1 36 36 GLY C C 36 173.165 173.165 174.278 -1.113 19179 105 1 1 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.236 -0.250 19179 106 1 1 . 1 1 36 36 GLY H H 36 10.615 10.615 8.723 1.892 19179 107 1 1 . 1 1 37 37 THR N N 37 116.476 116.476 119.094 -2.618 19179 108 1 1 . 1 1 37 37 THR HA H 37 4.466 4.466 4.623 -0.157 19179 109 1 1 . 1 1 37 37 THR C C 37 172.121 172.121 173.265 -1.144 19179 110 1 1 . 1 1 37 37 THR CA C 37 62.490 62.490 62.547 -0.057 19179 111 1 1 . 1 1 37 37 THR CB C 37 68.752 68.752 68.894 -0.142 19179 112 1 1 . 1 1 37 37 THR H H 37 7.669 7.669 7.690 -0.021 19179 113 1 1 . 1 1 38 38 TYR N N 38 124.951 124.951 124.317 0.634 19179 114 1 1 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.608 1.027 19179 115 1 1 . 1 1 38 38 TYR C C 38 174.538 174.538 173.885 0.653 19179 116 1 1 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.507 -1.506 19179 117 1 1 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.284 -0.673 19179 118 1 1 . 1 1 38 38 TYR H H 38 8.622 8.622 8.561 0.061 19179 119 1 1 . 1 1 39 39 PHE N N 39 115.194 115.194 114.659 0.535 19179 120 1 1 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.892 0.192 19179 121 1 1 . 1 1 39 39 PHE C C 39 173.379 173.379 172.668 0.711 19179 122 1 1 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.657 -1.719 19179 123 1 1 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.089 -0.869 19179 124 1 1 . 1 1 39 39 PHE H H 39 8.483 8.483 8.715 -0.232 19179 125 1 1 . 1 1 40 40 SER N N 40 114.429 114.429 118.864 -4.435 19179 126 1 1 . 1 1 40 40 SER HA H 40 4.341 4.341 4.484 -0.143 19179 127 1 1 . 1 1 40 40 SER C C 40 173.355 173.355 175.138 -1.783 19179 128 1 1 . 1 1 40 40 SER CA C 40 60.726 60.726 56.922 3.804 19179 129 1 1 . 1 1 40 40 SER CB C 40 63.544 63.544 64.311 -0.767 19179 130 1 1 . 1 1 40 40 SER H H 40 9.519 9.519 8.655 0.864 19179 131 1 1 . 1 1 41 41 ASP N N 41 125.551 125.551 123.111 2.440 19179 132 1 1 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.443 0.470 19179 133 1 1 . 1 1 41 41 ASP C C 41 176.230 176.230 176.449 -0.219 19179 134 1 1 . 1 1 41 41 ASP CA C 41 53.739 53.739 54.673 -0.934 19179 135 1 1 . 1 1 41 41 ASP CB C 41 39.725 39.725 39.336 0.390 19179 136 1 1 . 1 1 41 41 ASP H H 41 8.431 8.431 8.365 0.066 19179 137 1 1 . 1 1 42 42 SER N N 42 114.674 114.674 118.748 -4.074 19179 138 1 1 . 1 1 42 42 SER HA H 42 4.370 4.370 4.311 0.059 19179 139 1 1 . 1 1 42 42 SER C C 42 177.229 177.229 175.760 1.469 19179 140 1 1 . 1 1 42 42 SER CA C 42 59.770 59.770 59.080 0.690 19179 141 1 1 . 1 1 42 42 SER CB C 42 62.951 62.951 63.630 -0.679 19179 142 1 1 . 1 1 42 42 SER H H 42 9.001 9.001 8.359 0.642 19179 143 1 1 . 1 1 43 43 GLY N N 43 130.573 130.573 114.389 16.184 19179 144 1 1 . 1 1 43 43 GLY C C 43 172.823 172.823 173.753 -0.930 19179 145 1 1 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.947 0.882 19179 146 1 1 . 1 1 43 43 GLY H H 43 8.261 8.261 8.950 -0.689 19179 147 1 1 . 1 1 44 44 ASP N N 44 120.029 120.029 121.599 -1.570 19179 148 1 1 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.942 -0.201 19179 149 1 1 . 1 1 44 44 ASP C C 44 176.327 176.327 175.478 0.849 19179 150 1 1 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.602 -0.293 19179 151 1 1 . 1 1 44 44 ASP CB C 44 40.067 40.067 42.131 -2.064 19179 152 1 1 . 1 1 44 44 ASP H H 44 8.583 8.583 7.851 0.732 19179 153 1 1 . 1 1 45 45 ILE N N 45 129.584 129.584 122.643 6.941 19179 154 1 1 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.900 -0.209 19179 155 1 1 . 1 1 45 45 ILE C C 45 177.352 177.352 178.339 -0.987 19179 156 1 1 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.687 1.280 19179 157 1 1 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.557 -0.744 19179 158 1 1 . 1 1 45 45 ILE H H 45 8.589 8.589 8.439 0.150 19179 159 1 1 . 1 1 46 46 SER N N 46 117.808 117.808 116.176 1.632 19179 160 1 1 . 1 1 46 46 SER HA H 46 4.338 4.338 4.171 0.167 19179 161 1 1 . 1 1 46 46 SER C C 46 177.116 177.116 176.260 0.856 19179 162 1 1 . 1 1 46 46 SER CA C 46 61.744 61.744 60.962 0.782 19179 163 1 1 . 1 1 46 46 SER CB C 46 62.502 62.502 62.927 -0.425 19179 164 1 1 . 1 1 46 46 SER H H 46 8.275 8.275 8.089 0.186 19179 165 1 1 . 1 1 47 47 GLU N N 47 121.839 121.839 120.799 1.040 19179 166 1 1 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.090 -0.048 19179 167 1 1 . 1 1 47 47 GLU C C 47 178.981 178.981 178.029 0.952 19179 168 1 1 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.761 -0.343 19179 169 1 1 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.223 0.035 19179 170 1 1 . 1 1 47 47 GLU H H 47 7.372 7.372 8.461 -1.089 19179 171 1 1 . 1 1 48 48 ALA N N 48 122.935 122.935 121.323 1.612 19179 172 1 1 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.067 -0.206 19179 173 1 1 . 1 1 48 48 ALA C C 48 178.641 178.641 179.517 -0.876 19179 174 1 1 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.396 -0.071 19179 175 1 1 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.306 -0.914 19179 176 1 1 . 1 1 48 48 ALA H H 48 6.925 6.925 7.610 -0.685 19179 177 1 1 . 1 1 49 49 GLU N N 49 118.249 118.249 120.046 -1.797 19179 178 1 1 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.044 -0.431 19179 179 1 1 . 1 1 49 49 GLU C C 49 177.879 177.879 178.701 -0.822 19179 180 1 1 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.396 0.926 19179 181 1 1 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.120 -0.252 19179 182 1 1 . 1 1 49 49 GLU H H 49 8.288 8.288 7.795 0.493 19179 183 1 1 . 1 1 50 50 GLU N N 50 117.450 117.450 120.594 -3.144 19179 184 1 1 . 1 1 50 50 GLU HA H 50 3.922 3.922 3.965 -0.043 19179 185 1 1 . 1 1 50 50 GLU C C 50 179.532 179.532 179.115 0.417 19179 186 1 1 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.397 0.356 19179 187 1 1 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.549 -0.521 19179 188 1 1 . 1 1 50 50 GLU H H 50 8.108 8.108 8.233 -0.125 19179 189 1 1 . 1 1 51 51 LEU N N 51 120.169 120.169 119.778 0.391 19179 190 1 1 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.088 0.219 19179 191 1 1 . 1 1 51 51 LEU C C 51 178.285 178.285 178.563 -0.278 19179 192 1 1 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.301 -0.863 19179 193 1 1 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.225 -0.459 19179 194 1 1 . 1 1 51 51 LEU H H 51 7.835 7.835 8.491 -0.656 19179 195 1 1 . 1 1 52 52 ALA N N 52 121.167 121.167 122.576 -1.409 19179 196 1 1 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.080 -0.285 19179 197 1 1 . 1 1 52 52 ALA C C 52 178.611 178.611 179.705 -1.094 19179 198 1 1 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.959 0.688 19179 199 1 1 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.601 -0.425 19179 200 1 1 . 1 1 52 52 ALA H H 52 8.286 8.286 8.159 0.127 19179 201 1 1 . 1 1 53 53 ARG N N 53 115.092 115.092 118.949 -3.857 19179 202 1 1 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.226 -0.499 19179 203 1 1 . 1 1 53 53 ARG C C 53 179.136 179.136 178.369 0.767 19179 204 1 1 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.291 1.317 19179 205 1 1 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.965 -0.445 19179 206 1 1 . 1 1 53 53 ARG H H 53 7.957 7.957 8.693 -0.736 19179 207 1 1 . 1 1 54 54 GLU N N 54 122.263 122.263 121.178 1.085 19179 208 1 1 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.317 -0.253 19179 209 1 1 . 1 1 54 54 GLU C C 54 179.159 179.159 178.740 0.419 19179 210 1 1 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.247 0.171 19179 211 1 1 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.562 0.326 19179 212 1 1 . 1 1 54 54 GLU H H 54 8.089 8.089 8.384 -0.295 19179 213 1 1 . 1 1 55 55 LYS N N 55 118.511 118.511 119.886 -1.375 19179 214 1 1 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.086 -0.276 19179 215 1 1 . 1 1 55 55 LYS C C 55 179.078 179.078 178.508 0.570 19179 216 1 1 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.340 0.470 19179 217 1 1 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.422 0.321 19179 218 1 1 . 1 1 55 55 LYS H H 55 9.118 9.118 8.096 1.022 19179 219 1 1 . 1 1 56 56 PHE N N 56 119.918 119.918 118.484 1.434 19179 220 1 1 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.255 -0.393 19179 221 1 1 . 1 1 56 56 PHE H H 56 8.456 8.456 8.369 0.087 19179 222 1 1 . 1 1 57 57 GLU N N 57 121.819 121.819 117.424 4.395 19179 223 1 1 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.778 0.350 19179 224 1 1 . 1 1 57 57 GLU C C 57 177.889 177.889 177.456 0.433 19179 225 1 1 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.517 0.721 19179 226 1 1 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.143 0.340 19179 227 1 1 . 1 1 57 57 GLU H H 57 8.153 8.153 8.152 0.001 19179 228 1 1 . 1 1 58 58 LYS N N 58 115.784 115.784 120.031 -4.247 19179 229 1 1 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.277 -0.010 19179 230 1 1 . 1 1 58 58 LYS C C 58 176.710 176.710 176.160 0.550 19179 231 1 1 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.035 1.707 19179 232 1 1 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.394 0.633 19179 233 1 1 . 1 1 58 58 LYS H H 58 7.684 7.684 7.758 -0.074 19179 234 1 1 . 1 1 59 59 GLY N N 59 130.075 130.075 108.090 21.985 19179 235 1 1 . 1 1 59 59 GLY C C 59 175.969 175.969 172.996 2.973 19179 236 1 1 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.338 0.992 19179 237 1 1 . 1 1 59 59 GLY H H 59 7.644 7.644 7.541 0.103 19179 238 1 1 . 1 1 60 60 GLU N N 60 117.714 117.714 122.632 -4.918 19179 239 1 1 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.343 -0.004 19179 240 1 1 . 1 1 60 60 GLU C C 60 175.359 175.359 176.055 -0.696 19179 241 1 1 . 1 1 60 60 GLU CA C 60 55.533 55.533 57.385 -1.852 19179 242 1 1 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.180 0.176 19179 243 1 1 . 1 1 60 60 GLU H H 60 8.008 8.008 8.228 -0.220 19179 244 1 1 . 1 1 61 61 VAL N N 61 120.144 120.144 123.482 -3.338 19179 245 1 1 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.304 0.218 19179 246 1 1 . 1 1 61 61 VAL C C 61 176.175 176.175 176.883 -0.708 19179 247 1 1 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.063 0.204 19179 248 1 1 . 1 1 61 61 VAL CB C 61 33.686 33.686 33.075 0.611 19179 249 1 1 . 1 1 61 61 VAL H H 61 7.745 7.745 8.315 -0.570 19179 250 1 1 . 1 1 62 62 SER N N 62 126.283 126.283 123.186 3.097 19179 251 1 1 . 1 1 62 62 SER HA H 62 4.644 4.644 4.109 0.535 19179 252 1 1 . 1 1 62 62 SER C C 62 176.781 176.781 175.627 1.154 19179 253 1 1 . 1 1 62 62 SER CA C 62 60.796 60.796 61.212 -0.416 19179 254 1 1 . 1 1 62 62 SER CB C 62 65.061 65.061 63.281 1.780 19179 255 1 1 . 1 1 62 62 SER H H 62 11.396 11.396 8.905 2.491 19179 256 1 1 . 1 1 63 63 ASN N N 63 118.526 118.526 117.626 0.900 19179 257 1 1 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.507 0.225 19179 258 1 1 . 1 1 63 63 ASN C C 63 172.632 172.632 175.736 -3.104 19179 259 1 1 . 1 1 63 63 ASN CA C 63 54.586 54.586 54.980 -0.394 19179 260 1 1 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.691 1.081 19179 261 1 1 . 1 1 63 63 ASN H H 63 10.333 10.333 8.533 1.800 19179 262 1 1 . 1 1 64 64 PHE N N 64 112.992 112.992 116.643 -3.651 19179 263 1 1 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.324 0.542 19179 264 1 1 . 1 1 64 64 PHE C C 64 174.310 174.310 173.858 0.452 19179 265 1 1 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.480 -1.853 19179 266 1 1 . 1 1 64 64 PHE CB C 64 42.883 42.883 36.965 5.918 19179 267 1 1 . 1 1 64 64 PHE H H 64 6.971 6.971 8.028 -1.057 19179 268 1 1 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.519 0.369 19179 269 1 1 . 1 1 65 65 ASP C C 65 175.049 175.049 175.661 -0.612 19179 270 1 1 . 1 1 65 65 ASP CA C 65 53.647 53.647 53.955 -0.308 19179 271 1 1 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.387 -0.020 19179 272 1 1 . 1 1 66 66 ASP N N 66 119.568 119.568 119.348 0.220 19179 273 1 1 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.647 0.214 19179 274 1 1 . 1 1 66 66 ASP C C 66 175.858 175.858 177.612 -1.754 19179 275 1 1 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.836 -1.173 19179 276 1 1 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.364 1.897 19179 277 1 1 . 1 1 66 66 ASP H H 66 7.413 7.413 8.480 -1.067 19179 278 1 1 . 1 1 67 67 VAL N N 67 127.826 127.826 123.740 4.086 19179 279 1 1 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.789 -0.807 19179 280 1 1 . 1 1 67 67 VAL C C 67 175.173 175.173 177.588 -2.415 19179 281 1 1 . 1 1 67 67 VAL CA C 67 64.211 64.211 67.249 -3.038 19179 282 1 1 . 1 1 67 67 VAL CB C 67 30.848 30.848 31.764 -0.916 19179 283 1 1 . 1 1 67 67 VAL H H 67 8.298 8.298 8.437 -0.139 19179 284 1 1 . 1 1 68 68 GLU N N 68 120.580 120.580 119.242 1.338 19179 285 1 1 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.970 0.079 19179 286 1 1 . 1 1 68 68 GLU C C 68 180.052 180.052 178.659 1.393 19179 287 1 1 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.333 -2.475 19179 288 1 1 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.141 -1.737 19179 289 1 1 . 1 1 68 68 GLU H H 68 7.909 7.909 8.818 -0.908 19179 290 1 1 . 1 1 69 69 GLU N N 69 121.347 121.347 118.555 2.792 19179 291 1 1 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.149 -0.217 19179 292 1 1 . 1 1 69 69 GLU C C 69 179.095 179.095 178.846 0.249 19179 293 1 1 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.795 0.192 19179 294 1 1 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.193 0.327 19179 295 1 1 . 1 1 69 69 GLU H H 69 7.669 7.669 8.366 -0.697 19179 296 1 1 . 1 1 70 70 LEU N N 70 120.330 120.330 122.128 -1.798 19179 297 1 1 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.964 -1.019 19179 298 1 1 . 1 1 70 70 LEU C C 70 177.014 177.014 178.919 -1.905 19179 299 1 1 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.552 -1.073 19179 300 1 1 . 1 1 70 70 LEU CB C 70 40.244 40.244 42.154 -1.910 19179 301 1 1 . 1 1 70 70 LEU H H 70 7.184 7.184 8.405 -1.221 19179 302 1 1 . 1 1 71 71 VAL N N 71 118.625 118.625 115.193 3.432 19179 303 1 1 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.526 -0.456 19179 304 1 1 . 1 1 71 71 VAL C C 71 177.049 177.049 177.991 -0.942 19179 305 1 1 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.295 1.593 19179 306 1 1 . 1 1 71 71 VAL CB C 71 31.395 31.395 31.171 0.224 19179 307 1 1 . 1 1 71 71 VAL H H 71 8.262 8.262 8.796 -0.534 19179 308 1 1 . 1 1 72 72 LYS N N 72 116.770 116.770 120.106 -3.336 19179 309 1 1 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.004 -0.167 19179 310 1 1 . 1 1 72 72 LYS C C 72 179.439 179.439 179.116 0.323 19179 311 1 1 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.328 0.626 19179 312 1 1 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.825 0.794 19179 313 1 1 . 1 1 72 72 LYS H H 72 7.791 7.791 7.862 -0.071 19179 314 1 1 . 1 1 73 73 LYS N N 73 121.221 121.221 120.112 1.109 19179 315 1 1 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.140 0.076 19179 316 1 1 . 1 1 73 73 LYS C C 73 177.539 177.539 179.036 -1.497 19179 317 1 1 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.171 -1.847 19179 318 1 1 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.369 -0.463 19179 319 1 1 . 1 1 73 73 LYS H H 73 7.796 7.796 8.071 -0.275 19179 320 1 1 . 1 1 74 74 VAL N N 74 119.691 119.691 121.067 -1.376 19179 321 1 1 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.763 -0.348 19179 322 1 1 . 1 1 74 74 VAL C C 74 177.638 177.638 177.763 -0.125 19179 323 1 1 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.150 -0.287 19179 324 1 1 . 1 1 74 74 VAL H H 74 8.445 8.445 8.400 0.045 19179 325 1 1 . 1 1 75 75 VAL N N 75 120.095 120.095 120.425 -0.330 19179 326 1 1 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.897 -0.545 19179 327 1 1 . 1 1 75 75 VAL C C 75 177.621 177.621 176.996 0.625 19179 328 1 1 . 1 1 75 75 VAL CA C 75 67.759 67.759 64.206 3.554 19179 329 1 1 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.471 -2.314 19179 330 1 1 . 1 1 75 75 VAL H H 75 8.521 8.521 8.418 0.103 19179 331 1 1 . 1 1 76 76 ALA N N 76 120.276 120.276 122.907 -2.631 19179 332 1 1 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.024 0.167 19179 333 1 1 . 1 1 76 76 ALA C C 76 181.968 181.968 179.355 2.613 19179 334 1 1 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.528 -0.047 19179 335 1 1 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.378 0.017 19179 336 1 1 . 1 1 76 76 ALA H H 76 7.839 7.839 7.826 0.013 19179 337 1 1 . 1 1 77 77 VAL N N 77 114.746 114.746 117.230 -2.484 19179 338 1 1 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.800 0.218 19179 339 1 1 . 1 1 77 77 VAL C C 77 178.133 178.133 177.891 0.242 19179 340 1 1 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.176 0.354 19179 341 1 1 . 1 1 77 77 VAL CB C 77 30.943 30.943 30.683 0.260 19179 342 1 1 . 1 1 77 77 VAL H H 77 8.662 8.662 8.316 0.346 19179 343 1 1 . 1 1 78 78 CYS N N 78 119.096 119.096 118.212 0.884 19179 344 1 1 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.963 0.028 19179 345 1 1 . 1 1 78 78 CYS C C 78 177.621 177.621 176.559 1.062 19179 346 1 1 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.966 1.810 19179 347 1 1 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.407 -0.067 19179 348 1 1 . 1 1 78 78 CYS H H 78 7.740 7.740 7.990 -0.250 19179 349 1 1 . 1 1 79 79 GLU N N 79 118.797 118.797 119.838 -1.041 19179 350 1 1 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.134 -0.098 19179 351 1 1 . 1 1 79 79 GLU C C 79 179.135 179.135 178.843 0.292 19179 352 1 1 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.452 0.448 19179 353 1 1 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.302 0.408 19179 354 1 1 . 1 1 79 79 GLU H H 79 8.106 8.106 7.831 0.275 19179 355 1 1 . 1 1 80 80 GLU N N 80 119.483 119.483 119.912 -0.429 19179 356 1 1 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.167 -0.546 19179 357 1 1 . 1 1 80 80 GLU C C 80 177.433 177.433 177.895 -0.462 19179 358 1 1 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.419 0.292 19179 359 1 1 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.709 0.950 19179 360 1 1 . 1 1 80 80 GLU H H 80 8.167 8.167 8.263 -0.096 19179 361 1 1 . 1 1 81 81 LEU N N 81 117.475 117.475 117.857 -0.382 19179 362 1 1 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.275 0.377 19179 363 1 1 . 1 1 81 81 LEU C C 81 177.355 177.355 177.105 0.250 19179 364 1 1 . 1 1 81 81 LEU CA C 81 54.409 54.409 55.090 -0.681 19179 365 1 1 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.504 -1.051 19179 366 1 1 . 1 1 81 81 LEU H H 81 8.145 8.145 7.642 0.503 19179 367 1 1 . 1 1 82 82 GLY N N 82 127.998 127.998 107.305 20.693 19179 368 1 1 . 1 1 82 82 GLY C C 82 175.024 175.024 173.866 1.158 19179 369 1 1 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.824 1.815 19179 370 1 1 . 1 1 82 82 GLY H H 82 7.218 7.218 7.417 -0.199 19179 371 1 1 . 1 1 83 83 ALA N N 83 126.068 126.068 121.894 4.174 19179 372 1 1 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.595 -0.094 19179 373 1 1 . 1 1 83 83 ALA C C 83 177.567 177.567 175.926 1.641 19179 374 1 1 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.139 0.965 19179 375 1 1 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.593 -1.019 19179 376 1 1 . 1 1 83 83 ALA H H 83 8.202 8.202 7.544 0.658 19179 377 1 1 . 1 1 84 84 GLU N N 84 118.661 118.661 121.201 -2.540 19179 378 1 1 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.678 -0.426 19179 379 1 1 . 1 1 84 84 GLU C C 84 175.915 175.915 175.389 0.526 19179 380 1 1 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.627 3.044 19179 381 1 1 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.524 -0.858 19179 382 1 1 . 1 1 84 84 GLU H H 84 9.004 9.004 8.893 0.111 19179 383 1 1 . 1 1 85 85 GLU N N 85 111.162 111.162 118.470 -7.308 19179 384 1 1 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.081 -0.200 19179 385 1 1 . 1 1 85 85 GLU C C 85 173.815 173.815 173.566 0.249 19179 386 1 1 . 1 1 85 85 GLU CA C 85 53.657 53.657 55.974 -2.317 19179 387 1 1 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.647 -0.283 19179 388 1 1 . 1 1 85 85 GLU H H 85 7.318 7.318 7.942 -0.624 19179 389 1 1 . 1 1 86 86 CYS N N 86 122.106 122.106 123.556 -1.450 19179 390 1 1 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.680 -0.602 19179 391 1 1 . 1 1 86 86 CYS C C 86 177.088 177.088 175.869 1.219 19179 392 1 1 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.083 2.387 19179 393 1 1 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.540 4.901 19179 394 1 1 . 1 1 86 86 CYS H H 86 8.035 8.035 8.473 -0.438 19179 395 1 1 . 1 1 87 87 PHE N N 87 129.406 129.406 125.814 3.592 19179 396 1 1 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.264 0.228 19179 397 1 1 . 1 1 87 87 PHE C C 87 176.921 176.921 177.762 -0.841 19179 398 1 1 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.085 -0.488 19179 399 1 1 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.303 0.636 19179 400 1 1 . 1 1 87 87 PHE H H 87 8.292 8.292 8.085 0.207 19179 401 1 1 . 1 1 88 88 SER N N 88 118.356 118.356 116.110 2.246 19179 402 1 1 . 1 1 88 88 SER HA H 88 4.131 4.131 4.497 -0.366 19179 403 1 1 . 1 1 88 88 SER C C 88 174.940 174.940 176.906 -1.966 19179 404 1 1 . 1 1 88 88 SER CA C 88 60.832 60.832 60.547 0.285 19179 405 1 1 . 1 1 88 88 SER CB C 88 62.143 62.143 62.940 -0.797 19179 406 1 1 . 1 1 88 88 SER H H 88 8.436 8.436 8.331 0.105 19179 407 1 1 . 1 1 89 89 CYS N N 89 125.476 125.476 119.953 5.523 19179 408 1 1 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.467 -0.354 19179 409 1 1 . 1 1 89 89 CYS C C 89 174.660 174.660 176.244 -1.584 19179 410 1 1 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.005 2.758 19179 411 1 1 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.367 4.068 19179 412 1 1 . 1 1 89 89 CYS H H 89 7.699 7.699 8.382 -0.682 19179 413 1 1 . 1 1 90 90 ASP N N 90 119.756 119.756 117.473 2.283 19179 414 1 1 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.860 -0.343 19179 415 1 1 . 1 1 90 90 ASP C C 90 175.429 175.429 175.360 0.069 19179 416 1 1 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.639 -0.597 19179 417 1 1 . 1 1 90 90 ASP CB C 90 42.007 42.007 42.490 -0.484 19179 418 1 1 . 1 1 90 90 ASP H H 90 7.569 7.569 8.133 -0.564 19179 419 1 1 . 1 1 91 91 PHE N N 91 120.531 120.531 121.999 -1.468 19179 420 1 1 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.478 0.151 19179 421 1 1 . 1 1 91 91 PHE C C 91 174.893 174.893 174.745 0.148 19179 422 1 1 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.213 -0.953 19179 423 1 1 . 1 1 91 91 PHE CB C 91 39.545 39.545 39.924 -0.379 19179 424 1 1 . 1 1 91 91 PHE H H 91 7.910 7.910 7.617 0.293 19179 425 1 2 . 1 1 17 17 GLU C C 17 178.498 178.498 177.517 0.981 19179 426 1 2 . 1 1 18 18 ALA N N 18 117.689 117.689 123.206 -5.517 19179 427 1 2 . 1 1 18 18 ALA CA C 18 55.374 55.374 54.933 0.441 19179 428 1 2 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.391 0.034 19179 429 1 2 . 1 1 18 18 ALA H H 18 8.085 8.085 8.176 -0.091 19179 430 1 2 . 1 1 19 19 VAL C C 19 177.450 177.450 177.183 0.267 19179 431 1 2 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.710 1.102 19179 432 1 2 . 1 1 19 19 VAL CB C 19 31.269 31.269 32.096 -0.828 19179 433 1 2 . 1 1 20 20 TYR N N 20 116.865 116.865 118.858 -1.993 19179 434 1 2 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.254 -0.129 19179 435 1 2 . 1 1 20 20 TYR C C 20 179.914 179.914 178.281 1.633 19179 436 1 2 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.693 2.638 19179 437 1 2 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.941 -0.760 19179 438 1 2 . 1 1 20 20 TYR H H 20 8.138 8.138 8.005 0.133 19179 439 1 2 . 1 1 21 21 ILE N N 21 122.973 122.973 120.076 2.897 19179 440 1 2 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.837 -0.179 19179 441 1 2 . 1 1 21 21 ILE C C 21 176.306 176.306 177.842 -1.536 19179 442 1 2 . 1 1 21 21 ILE CA C 21 66.099 66.099 61.922 4.177 19179 443 1 2 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.188 0.698 19179 444 1 2 . 1 1 21 21 ILE H H 21 8.112 8.112 8.580 -0.468 19179 445 1 2 . 1 1 22 22 ALA N N 22 122.302 122.302 122.256 0.046 19179 446 1 2 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.141 -0.294 19179 447 1 2 . 1 1 22 22 ALA C C 22 179.987 179.987 179.426 0.561 19179 448 1 2 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.258 -0.074 19179 449 1 2 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.775 0.159 19179 450 1 2 . 1 1 22 22 ALA H H 22 7.839 7.839 8.315 -0.476 19179 451 1 2 . 1 1 23 23 ILE N N 23 119.408 119.408 113.882 5.526 19179 452 1 2 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.937 0.433 19179 453 1 2 . 1 1 23 23 ILE C C 23 180.184 180.184 176.803 3.381 19179 454 1 2 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.987 -0.282 19179 455 1 2 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.081 0.261 19179 456 1 2 . 1 1 23 23 ILE H H 23 8.328 8.328 8.341 -0.013 19179 457 1 2 . 1 1 24 24 GLU N N 24 125.684 125.684 119.746 5.938 19179 458 1 2 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.275 -0.387 19179 459 1 2 . 1 1 24 24 GLU C C 24 178.861 178.861 177.784 1.077 19179 460 1 2 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.527 -3.939 19179 461 1 2 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.935 -0.849 19179 462 1 2 . 1 1 24 24 GLU H H 24 8.344 8.344 7.904 0.440 19179 463 1 2 . 1 1 25 25 ALA N N 25 117.589 117.589 121.704 -4.115 19179 464 1 2 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.271 -0.079 19179 465 1 2 . 1 1 25 25 ALA C C 25 177.866 177.866 177.538 0.328 19179 466 1 2 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.644 -1.184 19179 467 1 2 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.226 0.105 19179 468 1 2 . 1 1 25 25 ALA H H 25 8.228 8.228 7.621 0.607 19179 469 1 2 . 1 1 26 26 GLY N N 26 129.923 129.923 104.211 25.712 19179 470 1 2 . 1 1 26 26 GLY C C 26 173.535 173.535 174.300 -0.765 19179 471 1 2 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.678 0.109 19179 472 1 2 . 1 1 26 26 GLY H H 26 8.189 8.189 7.664 0.525 19179 473 1 2 . 1 1 27 27 THR N N 27 119.446 119.446 117.547 1.899 19179 474 1 2 . 1 1 27 27 THR HA H 27 4.445 4.445 4.330 0.115 19179 475 1 2 . 1 1 27 27 THR C C 27 176.521 176.521 174.532 1.989 19179 476 1 2 . 1 1 27 27 THR CA C 27 66.568 66.568 66.035 0.533 19179 477 1 2 . 1 1 27 27 THR CB C 27 51.731 51.731 70.148 -18.417 19179 478 1 2 . 1 1 27 27 THR H H 27 7.919 7.919 7.703 0.216 19179 479 1 2 . 1 1 28 28 LEU N N 28 119.632 119.632 116.276 3.356 19179 480 1 2 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.644 0.369 19179 481 1 2 . 1 1 28 28 LEU C C 28 173.798 173.798 174.144 -0.346 19179 482 1 2 . 1 1 28 28 LEU CA C 28 52.000 52.000 52.978 -0.978 19179 483 1 2 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.666 2.155 19179 484 1 2 . 1 1 28 28 LEU H H 28 7.026 7.026 7.287 -0.261 19179 485 1 2 . 1 1 29 29 ALA N N 29 121.053 121.053 118.722 2.331 19179 486 1 2 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.577 -0.185 19179 487 1 2 . 1 1 29 29 ALA C C 29 173.471 173.471 174.098 -0.627 19179 488 1 2 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.887 0.796 19179 489 1 2 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.644 1.326 19179 490 1 2 . 1 1 29 29 ALA H H 29 8.856 8.856 7.920 0.936 19179 491 1 2 . 1 1 30 30 GLU N N 30 119.234 119.234 117.472 1.762 19179 492 1 2 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.481 0.318 19179 493 1 2 . 1 1 30 30 GLU C C 30 176.292 176.292 174.775 1.517 19179 494 1 2 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.814 -1.353 19179 495 1 2 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.324 1.811 19179 496 1 2 . 1 1 30 30 GLU H H 30 8.244 8.244 8.204 0.040 19179 497 1 2 . 1 1 31 31 CYS N N 31 129.774 129.774 121.857 7.917 19179 498 1 2 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.485 -0.173 19179 499 1 2 . 1 1 31 31 CYS C C 31 175.519 175.519 177.235 -1.716 19179 500 1 2 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.173 1.371 19179 501 1 2 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.577 1.011 19179 502 1 2 . 1 1 31 31 CYS H H 31 8.586 8.586 8.795 -0.209 19179 503 1 2 . 1 1 32 32 GLU N N 32 126.867 126.867 127.614 -0.747 19179 504 1 2 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.141 -0.052 19179 505 1 2 . 1 1 32 32 GLU C C 32 177.061 177.061 176.089 0.972 19179 506 1 2 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.527 0.201 19179 507 1 2 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.123 1.310 19179 508 1 2 . 1 1 32 32 GLU H H 32 8.756 8.756 8.978 -0.222 19179 509 1 2 . 1 1 33 33 VAL N N 33 122.528 122.528 116.433 6.095 19179 510 1 2 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.147 -0.329 19179 511 1 2 . 1 1 33 33 VAL C C 33 176.434 176.434 174.189 2.245 19179 512 1 2 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.795 2.337 19179 513 1 2 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.394 1.350 19179 514 1 2 . 1 1 33 33 VAL H H 33 8.935 8.935 7.902 1.033 19179 515 1 2 . 1 1 34 34 HIS N N 34 126.015 126.015 120.048 5.967 19179 516 1 2 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.769 -0.194 19179 517 1 2 . 1 1 34 34 HIS C C 34 173.077 173.077 173.671 -0.594 19179 518 1 2 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.878 2.757 19179 519 1 2 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.918 -1.129 19179 520 1 2 . 1 1 34 34 HIS H H 34 8.834 8.834 7.698 1.136 19179 521 1 2 . 1 1 35 35 GLU N N 35 122.059 122.059 125.231 -3.172 19179 522 1 2 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.215 -0.118 19179 523 1 2 . 1 1 35 35 GLU C C 35 178.839 178.839 177.076 1.763 19179 524 1 2 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.179 0.889 19179 525 1 2 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.942 -0.209 19179 526 1 2 . 1 1 35 35 GLU H H 35 7.643 7.643 8.676 -1.033 19179 527 1 2 . 1 1 36 36 GLY N N 36 114.969 114.969 113.758 1.211 19179 528 1 2 . 1 1 36 36 GLY C C 36 173.165 173.165 174.594 -1.429 19179 529 1 2 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.907 0.079 19179 530 1 2 . 1 1 36 36 GLY H H 36 10.615 10.615 8.636 1.979 19179 531 1 2 . 1 1 37 37 THR N N 37 116.476 116.476 117.722 -1.246 19179 532 1 2 . 1 1 37 37 THR HA H 37 4.466 4.466 4.432 0.034 19179 533 1 2 . 1 1 37 37 THR C C 37 172.121 172.121 173.198 -1.077 19179 534 1 2 . 1 1 37 37 THR CA C 37 62.490 62.490 62.948 -0.458 19179 535 1 2 . 1 1 37 37 THR CB C 37 68.752 68.752 69.707 -0.955 19179 536 1 2 . 1 1 37 37 THR H H 37 7.669 7.669 7.527 0.142 19179 537 1 2 . 1 1 38 38 TYR N N 38 124.951 124.951 122.895 2.056 19179 538 1 2 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.673 0.962 19179 539 1 2 . 1 1 38 38 TYR C C 38 174.538 174.538 173.843 0.695 19179 540 1 2 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.688 -1.687 19179 541 1 2 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.277 -0.666 19179 542 1 2 . 1 1 38 38 TYR H H 38 8.622 8.622 8.582 0.040 19179 543 1 2 . 1 1 39 39 PHE N N 39 115.194 115.194 115.054 0.140 19179 544 1 2 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.005 0.079 19179 545 1 2 . 1 1 39 39 PHE C C 39 173.379 173.379 172.591 0.788 19179 546 1 2 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.932 -1.994 19179 547 1 2 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.312 -1.092 19179 548 1 2 . 1 1 39 39 PHE H H 39 8.483 8.483 8.924 -0.441 19179 549 1 2 . 1 1 40 40 SER N N 40 114.429 114.429 118.887 -4.458 19179 550 1 2 . 1 1 40 40 SER HA H 40 4.341 4.341 4.539 -0.198 19179 551 1 2 . 1 1 40 40 SER C C 40 173.355 173.355 174.658 -1.303 19179 552 1 2 . 1 1 40 40 SER CA C 40 60.726 60.726 56.685 4.041 19179 553 1 2 . 1 1 40 40 SER CB C 40 63.544 63.544 64.317 -0.773 19179 554 1 2 . 1 1 40 40 SER H H 40 9.519 9.519 8.681 0.838 19179 555 1 2 . 1 1 41 41 ASP N N 41 125.551 125.551 124.315 1.236 19179 556 1 2 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.502 0.411 19179 557 1 2 . 1 1 41 41 ASP C C 41 176.230 176.230 176.068 0.162 19179 558 1 2 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.545 -1.806 19179 559 1 2 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.961 -1.236 19179 560 1 2 . 1 1 41 41 ASP H H 41 8.431 8.431 8.721 -0.290 19179 561 1 2 . 1 1 42 42 SER N N 42 114.674 114.674 120.628 -5.954 19179 562 1 2 . 1 1 42 42 SER HA H 42 4.370 4.370 4.396 -0.026 19179 563 1 2 . 1 1 42 42 SER C C 42 177.229 177.229 175.684 1.545 19179 564 1 2 . 1 1 42 42 SER CA C 42 59.770 59.770 59.380 0.390 19179 565 1 2 . 1 1 42 42 SER CB C 42 62.951 62.951 63.486 -0.534 19179 566 1 2 . 1 1 42 42 SER H H 42 9.001 9.001 8.507 0.494 19179 567 1 2 . 1 1 43 43 GLY N N 43 130.573 130.573 113.825 16.748 19179 568 1 2 . 1 1 43 43 GLY C C 43 172.823 172.823 173.642 -0.819 19179 569 1 2 . 1 1 43 43 GLY CA C 43 45.829 45.829 45.039 0.790 19179 570 1 2 . 1 1 43 43 GLY H H 43 8.261 8.261 8.917 -0.656 19179 571 1 2 . 1 1 44 44 ASP N N 44 120.029 120.029 121.661 -1.632 19179 572 1 2 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.965 -0.224 19179 573 1 2 . 1 1 44 44 ASP C C 44 176.327 176.327 175.525 0.802 19179 574 1 2 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.434 -0.126 19179 575 1 2 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.951 -1.884 19179 576 1 2 . 1 1 44 44 ASP H H 44 8.583 8.583 7.816 0.767 19179 577 1 2 . 1 1 45 45 ILE N N 45 129.584 129.584 122.349 7.235 19179 578 1 2 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.869 -0.178 19179 579 1 2 . 1 1 45 45 ILE C C 45 177.352 177.352 177.612 -0.260 19179 580 1 2 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.494 1.473 19179 581 1 2 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.372 -0.559 19179 582 1 2 . 1 1 45 45 ILE H H 45 8.589 8.589 8.348 0.241 19179 583 1 2 . 1 1 46 46 SER N N 46 117.808 117.808 115.028 2.780 19179 584 1 2 . 1 1 46 46 SER HA H 46 4.338 4.338 4.258 0.080 19179 585 1 2 . 1 1 46 46 SER C C 46 177.116 177.116 176.430 0.686 19179 586 1 2 . 1 1 46 46 SER CA C 46 61.744 61.744 61.080 0.664 19179 587 1 2 . 1 1 46 46 SER CB C 46 62.502 62.502 62.621 -0.119 19179 588 1 2 . 1 1 46 46 SER H H 46 8.275 8.275 8.282 -0.007 19179 589 1 2 . 1 1 47 47 GLU N N 47 121.839 121.839 121.381 0.458 19179 590 1 2 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.048 -0.006 19179 591 1 2 . 1 1 47 47 GLU C C 47 178.981 178.981 178.107 0.874 19179 592 1 2 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.260 0.158 19179 593 1 2 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.478 -0.220 19179 594 1 2 . 1 1 47 47 GLU H H 47 7.372 7.372 7.662 -0.290 19179 595 1 2 . 1 1 48 48 ALA N N 48 122.935 122.935 121.906 1.029 19179 596 1 2 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.046 -0.185 19179 597 1 2 . 1 1 48 48 ALA C C 48 178.641 178.641 179.020 -0.379 19179 598 1 2 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.677 -0.352 19179 599 1 2 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.314 -0.922 19179 600 1 2 . 1 1 48 48 ALA H H 48 6.925 6.925 7.511 -0.586 19179 601 1 2 . 1 1 49 49 GLU N N 49 118.249 118.249 120.618 -2.369 19179 602 1 2 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.025 -0.412 19179 603 1 2 . 1 1 49 49 GLU C C 49 177.879 177.879 178.734 -0.855 19179 604 1 2 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.337 0.985 19179 605 1 2 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.030 -0.162 19179 606 1 2 . 1 1 49 49 GLU H H 49 8.288 8.288 8.050 0.238 19179 607 1 2 . 1 1 50 50 GLU N N 50 117.450 117.450 120.112 -2.662 19179 608 1 2 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.103 -0.181 19179 609 1 2 . 1 1 50 50 GLU C C 50 179.532 179.532 178.868 0.664 19179 610 1 2 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.072 0.681 19179 611 1 2 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.527 -0.499 19179 612 1 2 . 1 1 50 50 GLU H H 50 8.108 8.108 8.096 0.012 19179 613 1 2 . 1 1 51 51 LEU N N 51 120.169 120.169 121.841 -1.672 19179 614 1 2 . 1 1 51 51 LEU HA H 51 4.307 4.307 3.874 0.433 19179 615 1 2 . 1 1 51 51 LEU C C 51 178.285 178.285 179.060 -0.775 19179 616 1 2 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.029 -0.591 19179 617 1 2 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.779 -1.012 19179 618 1 2 . 1 1 51 51 LEU H H 51 7.835 7.835 8.275 -0.440 19179 619 1 2 . 1 1 52 52 ALA N N 52 121.167 121.167 120.931 0.236 19179 620 1 2 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.210 -0.415 19179 621 1 2 . 1 1 52 52 ALA C C 52 178.611 178.611 179.725 -1.114 19179 622 1 2 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.902 0.745 19179 623 1 2 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.380 -0.204 19179 624 1 2 . 1 1 52 52 ALA H H 52 8.286 8.286 8.424 -0.138 19179 625 1 2 . 1 1 53 53 ARG N N 53 115.092 115.092 119.388 -4.296 19179 626 1 2 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.348 -0.621 19179 627 1 2 . 1 1 53 53 ARG C C 53 179.136 179.136 178.387 0.749 19179 628 1 2 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.949 0.659 19179 629 1 2 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.278 -0.758 19179 630 1 2 . 1 1 53 53 ARG H H 53 7.957 7.957 8.192 -0.235 19179 631 1 2 . 1 1 54 54 GLU N N 54 122.263 122.263 118.809 3.454 19179 632 1 2 . 1 1 54 54 GLU HA H 54 4.064 4.064 3.964 0.100 19179 633 1 2 . 1 1 54 54 GLU C C 54 179.159 179.159 178.584 0.575 19179 634 1 2 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.958 0.460 19179 635 1 2 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.322 0.566 19179 636 1 2 . 1 1 54 54 GLU H H 54 8.089 8.089 8.141 -0.052 19179 637 1 2 . 1 1 55 55 LYS N N 55 118.511 118.511 119.734 -1.223 19179 638 1 2 . 1 1 55 55 LYS HA H 55 3.810 3.810 3.993 -0.183 19179 639 1 2 . 1 1 55 55 LYS C C 55 179.078 179.078 179.353 -0.275 19179 640 1 2 . 1 1 55 55 LYS CA C 55 59.810 59.810 60.040 -0.230 19179 641 1 2 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.343 0.400 19179 642 1 2 . 1 1 55 55 LYS H H 55 9.118 9.118 8.243 0.875 19179 643 1 2 . 1 1 56 56 PHE N N 56 119.918 119.918 118.309 1.609 19179 644 1 2 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.522 -0.660 19179 645 1 2 . 1 1 56 56 PHE H H 56 8.456 8.456 8.677 -0.221 19179 646 1 2 . 1 1 57 57 GLU N N 57 121.819 121.819 120.606 1.213 19179 647 1 2 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.602 0.526 19179 648 1 2 . 1 1 57 57 GLU C C 57 177.889 177.889 177.589 0.300 19179 649 1 2 . 1 1 57 57 GLU CA C 57 59.238 59.238 57.907 1.331 19179 650 1 2 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.488 0.995 19179 651 1 2 . 1 1 57 57 GLU H H 57 8.153 8.153 7.224 0.929 19179 652 1 2 . 1 1 58 58 LYS N N 58 115.784 115.784 117.169 -1.385 19179 653 1 2 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.185 0.082 19179 654 1 2 . 1 1 58 58 LYS C C 58 176.710 176.710 176.428 0.282 19179 655 1 2 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.821 -0.079 19179 656 1 2 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.368 -0.341 19179 657 1 2 . 1 1 58 58 LYS H H 58 7.684 7.684 7.806 -0.122 19179 658 1 2 . 1 1 59 59 GLY N N 59 130.075 130.075 107.132 22.943 19179 659 1 2 . 1 1 59 59 GLY C C 59 175.969 175.969 172.862 3.107 19179 660 1 2 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.446 0.884 19179 661 1 2 . 1 1 59 59 GLY H H 59 7.644 7.644 7.807 -0.163 19179 662 1 2 . 1 1 60 60 GLU N N 60 117.714 117.714 119.458 -1.744 19179 663 1 2 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.734 -0.395 19179 664 1 2 . 1 1 60 60 GLU C C 60 175.359 175.359 175.080 0.279 19179 665 1 2 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.424 0.109 19179 666 1 2 . 1 1 60 60 GLU CB C 60 30.356 30.356 32.163 -1.807 19179 667 1 2 . 1 1 60 60 GLU H H 60 8.008 8.008 8.355 -0.347 19179 668 1 2 . 1 1 61 61 VAL N N 61 120.144 120.144 116.143 4.001 19179 669 1 2 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.355 0.167 19179 670 1 2 . 1 1 61 61 VAL C C 61 176.175 176.175 174.710 1.465 19179 671 1 2 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.322 -0.055 19179 672 1 2 . 1 1 61 61 VAL CB C 61 33.686 33.686 34.040 -0.354 19179 673 1 2 . 1 1 61 61 VAL H H 61 7.745 7.745 8.172 -0.427 19179 674 1 2 . 1 1 62 62 SER N N 62 126.283 126.283 115.489 10.794 19179 675 1 2 . 1 1 62 62 SER HA H 62 4.644 4.644 4.639 0.005 19179 676 1 2 . 1 1 62 62 SER C C 62 176.781 176.781 175.005 1.776 19179 677 1 2 . 1 1 62 62 SER CA C 62 60.796 60.796 59.843 0.953 19179 678 1 2 . 1 1 62 62 SER CB C 62 65.061 65.061 63.710 1.351 19179 679 1 2 . 1 1 62 62 SER H H 62 11.396 11.396 8.522 2.874 19179 680 1 2 . 1 1 63 63 ASN N N 63 118.526 118.526 119.872 -1.346 19179 681 1 2 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.912 -0.180 19179 682 1 2 . 1 1 63 63 ASN C C 63 172.632 172.632 176.027 -3.395 19179 683 1 2 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.654 1.932 19179 684 1 2 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.296 1.476 19179 685 1 2 . 1 1 63 63 ASN H H 63 10.333 10.333 8.494 1.839 19179 686 1 2 . 1 1 64 64 PHE N N 64 112.992 112.992 118.237 -5.245 19179 687 1 2 . 1 1 64 64 PHE HA H 64 4.866 4.866 3.963 0.903 19179 688 1 2 . 1 1 64 64 PHE C C 64 174.310 174.310 176.045 -1.735 19179 689 1 2 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.885 -2.259 19179 690 1 2 . 1 1 64 64 PHE CB C 64 42.883 42.883 38.135 4.748 19179 691 1 2 . 1 1 64 64 PHE H H 64 6.971 6.971 8.140 -1.169 19179 692 1 2 . 1 1 65 65 ASP HA H 65 4.888 4.888 3.516 1.372 19179 693 1 2 . 1 1 65 65 ASP C C 65 175.049 175.049 176.400 -1.351 19179 694 1 2 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.960 -2.313 19179 695 1 2 . 1 1 65 65 ASP CB C 65 41.367 41.367 40.818 0.549 19179 696 1 2 . 1 1 66 66 ASP N N 66 119.568 119.568 119.036 0.532 19179 697 1 2 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.834 0.027 19179 698 1 2 . 1 1 66 66 ASP C C 66 175.858 175.858 175.957 -0.099 19179 699 1 2 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.137 -0.474 19179 700 1 2 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.801 1.460 19179 701 1 2 . 1 1 66 66 ASP H H 66 7.413 7.413 7.643 -0.230 19179 702 1 2 . 1 1 67 67 VAL N N 67 127.826 127.826 124.879 2.947 19179 703 1 2 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.590 -0.608 19179 704 1 2 . 1 1 67 67 VAL C C 67 175.173 175.173 176.784 -1.611 19179 705 1 2 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.486 -2.275 19179 706 1 2 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.569 -1.721 19179 707 1 2 . 1 1 67 67 VAL H H 67 8.298 8.298 8.612 -0.314 19179 708 1 2 . 1 1 68 68 GLU N N 68 120.580 120.580 117.524 3.056 19179 709 1 2 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.073 -0.024 19179 710 1 2 . 1 1 68 68 GLU C C 68 180.052 180.052 178.673 1.379 19179 711 1 2 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.305 -1.447 19179 712 1 2 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.598 -1.194 19179 713 1 2 . 1 1 68 68 GLU H H 68 7.909 7.909 8.706 -0.797 19179 714 1 2 . 1 1 69 69 GLU N N 69 121.347 121.347 121.000 0.347 19179 715 1 2 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.132 -0.200 19179 716 1 2 . 1 1 69 69 GLU C C 69 179.095 179.095 178.730 0.365 19179 717 1 2 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.724 0.263 19179 718 1 2 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.382 0.138 19179 719 1 2 . 1 1 69 69 GLU H H 69 7.669 7.669 7.907 -0.238 19179 720 1 2 . 1 1 70 70 LEU N N 70 120.330 120.330 121.048 -0.718 19179 721 1 2 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.973 -1.028 19179 722 1 2 . 1 1 70 70 LEU C C 70 177.014 177.014 178.720 -1.706 19179 723 1 2 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.252 -0.772 19179 724 1 2 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.892 -1.648 19179 725 1 2 . 1 1 70 70 LEU H H 70 7.184 7.184 7.881 -0.697 19179 726 1 2 . 1 1 71 71 VAL N N 71 118.625 118.625 115.821 2.804 19179 727 1 2 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.630 -0.560 19179 728 1 2 . 1 1 71 71 VAL C C 71 177.049 177.049 177.651 -0.602 19179 729 1 2 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.030 1.858 19179 730 1 2 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.985 0.410 19179 731 1 2 . 1 1 71 71 VAL H H 71 8.262 8.262 8.194 0.068 19179 732 1 2 . 1 1 72 72 LYS N N 72 116.770 116.770 120.031 -3.261 19179 733 1 2 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.938 -0.101 19179 734 1 2 . 1 1 72 72 LYS C C 72 179.439 179.439 178.721 0.718 19179 735 1 2 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.788 0.166 19179 736 1 2 . 1 1 72 72 LYS CB C 72 32.619 32.619 32.150 0.469 19179 737 1 2 . 1 1 72 72 LYS H H 72 7.791 7.791 7.896 -0.105 19179 738 1 2 . 1 1 73 73 LYS N N 73 121.221 121.221 119.066 2.155 19179 739 1 2 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.109 0.107 19179 740 1 2 . 1 1 73 73 LYS C C 73 177.539 177.539 179.107 -1.568 19179 741 1 2 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.606 -1.282 19179 742 1 2 . 1 1 73 73 LYS CB C 73 31.906 31.906 31.907 -0.001 19179 743 1 2 . 1 1 73 73 LYS H H 73 7.796 7.796 7.861 -0.065 19179 744 1 2 . 1 1 74 74 VAL N N 74 119.691 119.691 121.628 -1.937 19179 745 1 2 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.769 -0.354 19179 746 1 2 . 1 1 74 74 VAL C C 74 177.638 177.638 178.074 -0.436 19179 747 1 2 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.364 -0.501 19179 748 1 2 . 1 1 74 74 VAL H H 74 8.445 8.445 8.180 0.265 19179 749 1 2 . 1 1 75 75 VAL N N 75 120.095 120.095 120.236 -0.141 19179 750 1 2 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.698 -0.346 19179 751 1 2 . 1 1 75 75 VAL C C 75 177.621 177.621 176.826 0.795 19179 752 1 2 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.501 2.257 19179 753 1 2 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.572 -2.416 19179 754 1 2 . 1 1 75 75 VAL H H 75 8.521 8.521 8.427 0.094 19179 755 1 2 . 1 1 76 76 ALA N N 76 120.276 120.276 123.245 -2.969 19179 756 1 2 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.061 0.130 19179 757 1 2 . 1 1 76 76 ALA C C 76 181.968 181.968 179.899 2.069 19179 758 1 2 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.245 0.236 19179 759 1 2 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.256 0.139 19179 760 1 2 . 1 1 76 76 ALA H H 76 7.839 7.839 7.981 -0.142 19179 761 1 2 . 1 1 77 77 VAL N N 77 114.746 114.746 118.988 -4.242 19179 762 1 2 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.807 0.211 19179 763 1 2 . 1 1 77 77 VAL C C 77 178.133 178.133 178.067 0.066 19179 764 1 2 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.693 -0.163 19179 765 1 2 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.485 -0.542 19179 766 1 2 . 1 1 77 77 VAL H H 77 8.662 8.662 8.033 0.629 19179 767 1 2 . 1 1 78 78 CYS N N 78 119.096 119.096 118.785 0.311 19179 768 1 2 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.878 0.113 19179 769 1 2 . 1 1 78 78 CYS C C 78 177.621 177.621 176.540 1.081 19179 770 1 2 . 1 1 78 78 CYS CA C 78 64.776 64.776 65.085 -0.309 19179 771 1 2 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.491 -0.152 19179 772 1 2 . 1 1 78 78 CYS H H 78 7.740 7.740 8.128 -0.388 19179 773 1 2 . 1 1 79 79 GLU N N 79 118.797 118.797 117.928 0.869 19179 774 1 2 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.116 -0.080 19179 775 1 2 . 1 1 79 79 GLU C C 79 179.135 179.135 178.989 0.146 19179 776 1 2 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.766 0.134 19179 777 1 2 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.480 0.230 19179 778 1 2 . 1 1 79 79 GLU H H 79 8.106 8.106 8.227 -0.121 19179 779 1 2 . 1 1 80 80 GLU N N 80 119.483 119.483 120.243 -0.760 19179 780 1 2 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.138 -0.517 19179 781 1 2 . 1 1 80 80 GLU C C 80 177.433 177.433 177.838 -0.405 19179 782 1 2 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.535 0.176 19179 783 1 2 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.672 0.986 19179 784 1 2 . 1 1 80 80 GLU H H 80 8.167 8.167 8.119 0.048 19179 785 1 2 . 1 1 81 81 LEU N N 81 117.475 117.475 117.675 -0.200 19179 786 1 2 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.317 0.335 19179 787 1 2 . 1 1 81 81 LEU C C 81 177.355 177.355 176.896 0.459 19179 788 1 2 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.837 -0.428 19179 789 1 2 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.892 -1.439 19179 790 1 2 . 1 1 81 81 LEU H H 81 8.145 8.145 7.718 0.427 19179 791 1 2 . 1 1 82 82 GLY N N 82 127.998 127.998 107.516 20.482 19179 792 1 2 . 1 1 82 82 GLY C C 82 175.024 175.024 173.884 1.140 19179 793 1 2 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.814 1.825 19179 794 1 2 . 1 1 82 82 GLY H H 82 7.218 7.218 7.390 -0.172 19179 795 1 2 . 1 1 83 83 ALA N N 83 126.068 126.068 121.820 4.248 19179 796 1 2 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.641 -0.140 19179 797 1 2 . 1 1 83 83 ALA C C 83 177.567 177.567 175.766 1.801 19179 798 1 2 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.231 0.873 19179 799 1 2 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.671 -1.097 19179 800 1 2 . 1 1 83 83 ALA H H 83 8.202 8.202 7.487 0.715 19179 801 1 2 . 1 1 84 84 GLU N N 84 118.661 118.661 121.475 -2.814 19179 802 1 2 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.757 -0.505 19179 803 1 2 . 1 1 84 84 GLU C C 84 175.915 175.915 175.828 0.087 19179 804 1 2 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.584 3.087 19179 805 1 2 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.551 -0.885 19179 806 1 2 . 1 1 84 84 GLU H H 84 9.004 9.004 9.044 -0.040 19179 807 1 2 . 1 1 85 85 GLU N N 85 111.162 111.162 118.036 -6.874 19179 808 1 2 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.336 -0.455 19179 809 1 2 . 1 1 85 85 GLU C C 85 173.815 173.815 174.259 -0.444 19179 810 1 2 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.568 -2.911 19179 811 1 2 . 1 1 85 85 GLU CB C 85 32.364 32.364 33.562 -1.198 19179 812 1 2 . 1 1 85 85 GLU H H 85 7.318 7.318 8.219 -0.901 19179 813 1 2 . 1 1 86 86 CYS N N 86 122.106 122.106 123.553 -1.447 19179 814 1 2 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.792 -0.714 19179 815 1 2 . 1 1 86 86 CYS C C 86 177.088 177.088 175.793 1.295 19179 816 1 2 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.675 1.795 19179 817 1 2 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.757 4.684 19179 818 1 2 . 1 1 86 86 CYS H H 86 8.035 8.035 8.770 -0.735 19179 819 1 2 . 1 1 87 87 PHE N N 87 129.406 129.406 128.354 1.052 19179 820 1 2 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.174 0.318 19179 821 1 2 . 1 1 87 87 PHE C C 87 176.921 176.921 176.281 0.640 19179 822 1 2 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.674 -1.077 19179 823 1 2 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.191 -0.253 19179 824 1 2 . 1 1 87 87 PHE H H 87 8.292 8.292 8.644 -0.352 19179 825 1 2 . 1 1 88 88 SER N N 88 118.356 118.356 116.609 1.747 19179 826 1 2 . 1 1 88 88 SER HA H 88 4.131 4.131 4.346 -0.215 19179 827 1 2 . 1 1 88 88 SER C C 88 174.940 174.940 176.980 -2.040 19179 828 1 2 . 1 1 88 88 SER CA C 88 60.832 60.832 61.580 -0.748 19179 829 1 2 . 1 1 88 88 SER CB C 88 62.143 62.143 62.463 -0.320 19179 830 1 2 . 1 1 88 88 SER H H 88 8.436 8.436 8.462 -0.026 19179 831 1 2 . 1 1 89 89 CYS N N 89 125.476 125.476 119.916 5.560 19179 832 1 2 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.423 -0.310 19179 833 1 2 . 1 1 89 89 CYS C C 89 174.660 174.660 176.102 -1.442 19179 834 1 2 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.503 2.260 19179 835 1 2 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.959 3.476 19179 836 1 2 . 1 1 89 89 CYS H H 89 7.699 7.699 8.000 -0.301 19179 837 1 2 . 1 1 90 90 ASP N N 90 119.756 119.756 118.067 1.689 19179 838 1 2 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.670 -0.153 19179 839 1 2 . 1 1 90 90 ASP C C 90 175.429 175.429 175.678 -0.249 19179 840 1 2 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.513 0.529 19179 841 1 2 . 1 1 90 90 ASP CB C 90 42.007 42.007 40.827 1.180 19179 842 1 2 . 1 1 90 90 ASP H H 90 7.569 7.569 7.744 -0.175 19179 843 1 2 . 1 1 91 91 PHE N N 91 120.531 120.531 120.573 -0.042 19179 844 1 2 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.399 0.230 19179 845 1 2 . 1 1 91 91 PHE C C 91 174.893 174.893 174.890 0.003 19179 846 1 2 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.718 -1.458 19179 847 1 2 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.529 -0.984 19179 848 1 2 . 1 1 91 91 PHE H H 91 7.910 7.910 8.107 -0.197 19179 849 1 3 . 1 1 17 17 GLU C C 17 178.498 178.498 176.352 2.146 19179 850 1 3 . 1 1 18 18 ALA N N 18 117.689 117.689 124.671 -6.982 19179 851 1 3 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.127 0.247 19179 852 1 3 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.521 -0.096 19179 853 1 3 . 1 1 18 18 ALA H H 18 8.085 8.085 8.792 -0.707 19179 854 1 3 . 1 1 19 19 VAL C C 19 177.450 177.450 176.723 0.727 19179 855 1 3 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.432 0.380 19179 856 1 3 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.740 -0.471 19179 857 1 3 . 1 1 20 20 TYR N N 20 116.865 116.865 119.148 -2.283 19179 858 1 3 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.241 -0.116 19179 859 1 3 . 1 1 20 20 TYR C C 20 179.914 179.914 178.113 1.801 19179 860 1 3 . 1 1 20 20 TYR CA C 20 62.330 62.330 61.445 0.885 19179 861 1 3 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.994 -0.812 19179 862 1 3 . 1 1 20 20 TYR H H 20 8.138 8.138 8.320 -0.182 19179 863 1 3 . 1 1 21 21 ILE N N 21 122.973 122.973 119.799 3.174 19179 864 1 3 . 1 1 21 21 ILE HA H 21 3.658 3.658 4.162 -0.504 19179 865 1 3 . 1 1 21 21 ILE C C 21 176.306 176.306 177.445 -1.139 19179 866 1 3 . 1 1 21 21 ILE CA C 21 66.099 66.099 62.021 4.078 19179 867 1 3 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.244 0.642 19179 868 1 3 . 1 1 21 21 ILE H H 21 8.112 8.112 8.587 -0.475 19179 869 1 3 . 1 1 22 22 ALA N N 22 122.302 122.302 122.424 -0.122 19179 870 1 3 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.091 -0.244 19179 871 1 3 . 1 1 22 22 ALA C C 22 179.987 179.987 179.780 0.207 19179 872 1 3 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.319 -0.135 19179 873 1 3 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.769 0.165 19179 874 1 3 . 1 1 22 22 ALA H H 22 7.839 7.839 7.786 0.053 19179 875 1 3 . 1 1 23 23 ILE N N 23 119.408 119.408 115.262 4.146 19179 876 1 3 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.784 0.586 19179 877 1 3 . 1 1 23 23 ILE C C 23 180.184 180.184 176.947 3.237 19179 878 1 3 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.341 -0.636 19179 879 1 3 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.627 0.715 19179 880 1 3 . 1 1 23 23 ILE H H 23 8.328 8.328 8.415 -0.087 19179 881 1 3 . 1 1 24 24 GLU N N 24 125.684 125.684 120.161 5.523 19179 882 1 3 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.303 -0.414 19179 883 1 3 . 1 1 24 24 GLU C C 24 178.861 178.861 177.756 1.105 19179 884 1 3 . 1 1 24 24 GLU CA C 24 52.588 52.588 57.008 -4.420 19179 885 1 3 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.338 -0.252 19179 886 1 3 . 1 1 24 24 GLU H H 24 8.344 8.344 8.011 0.333 19179 887 1 3 . 1 1 25 25 ALA N N 25 117.589 117.589 121.214 -3.625 19179 888 1 3 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.198 -0.006 19179 889 1 3 . 1 1 25 25 ALA C C 25 177.866 177.866 177.205 0.661 19179 890 1 3 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.274 -0.814 19179 891 1 3 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.697 0.634 19179 892 1 3 . 1 1 25 25 ALA H H 25 8.228 8.228 7.728 0.500 19179 893 1 3 . 1 1 26 26 GLY N N 26 129.923 129.923 102.026 27.897 19179 894 1 3 . 1 1 26 26 GLY C C 26 173.535 173.535 175.596 -2.061 19179 895 1 3 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.041 -0.254 19179 896 1 3 . 1 1 26 26 GLY H H 26 8.189 8.189 7.426 0.763 19179 897 1 3 . 1 1 27 27 THR N N 27 119.446 119.446 119.210 0.236 19179 898 1 3 . 1 1 27 27 THR HA H 27 4.445 4.445 4.048 0.397 19179 899 1 3 . 1 1 27 27 THR C C 27 176.521 176.521 174.528 1.993 19179 900 1 3 . 1 1 27 27 THR CA C 27 66.568 66.568 67.104 -0.536 19179 901 1 3 . 1 1 27 27 THR CB C 27 51.731 51.731 69.539 -17.808 19179 902 1 3 . 1 1 27 27 THR H H 27 7.919 7.919 7.946 -0.027 19179 903 1 3 . 1 1 28 28 LEU N N 28 119.632 119.632 115.010 4.622 19179 904 1 3 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.573 0.440 19179 905 1 3 . 1 1 28 28 LEU C C 28 173.798 173.798 174.168 -0.370 19179 906 1 3 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.202 -1.202 19179 907 1 3 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.096 2.725 19179 908 1 3 . 1 1 28 28 LEU H H 28 7.026 7.026 7.915 -0.888 19179 909 1 3 . 1 1 29 29 ALA N N 29 121.053 121.053 119.548 1.505 19179 910 1 3 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.626 -0.234 19179 911 1 3 . 1 1 29 29 ALA C C 29 173.471 173.471 174.398 -0.927 19179 912 1 3 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.418 0.265 19179 913 1 3 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.678 1.292 19179 914 1 3 . 1 1 29 29 ALA H H 29 8.856 8.856 7.975 0.881 19179 915 1 3 . 1 1 30 30 GLU N N 30 119.234 119.234 117.140 2.094 19179 916 1 3 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.339 0.460 19179 917 1 3 . 1 1 30 30 GLU C C 30 176.292 176.292 174.683 1.609 19179 918 1 3 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.517 -1.056 19179 919 1 3 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.498 1.637 19179 920 1 3 . 1 1 30 30 GLU H H 30 8.244 8.244 8.041 0.203 19179 921 1 3 . 1 1 31 31 CYS N N 31 129.774 129.774 122.399 7.375 19179 922 1 3 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.474 -0.162 19179 923 1 3 . 1 1 31 31 CYS C C 31 175.519 175.519 176.936 -1.417 19179 924 1 3 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.527 1.017 19179 925 1 3 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.485 1.103 19179 926 1 3 . 1 1 31 31 CYS H H 31 8.586 8.586 8.788 -0.202 19179 927 1 3 . 1 1 32 32 GLU N N 32 126.867 126.867 125.867 1.000 19179 928 1 3 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.213 -0.124 19179 929 1 3 . 1 1 32 32 GLU C C 32 177.061 177.061 176.052 1.009 19179 930 1 3 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.499 0.229 19179 931 1 3 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.475 0.958 19179 932 1 3 . 1 1 32 32 GLU H H 32 8.756 8.756 8.947 -0.191 19179 933 1 3 . 1 1 33 33 VAL N N 33 122.528 122.528 114.578 7.950 19179 934 1 3 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.169 -0.351 19179 935 1 3 . 1 1 33 33 VAL C C 33 176.434 176.434 174.615 1.819 19179 936 1 3 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.981 2.151 19179 937 1 3 . 1 1 33 33 VAL CB C 33 33.744 33.744 33.039 0.705 19179 938 1 3 . 1 1 33 33 VAL H H 33 8.935 8.935 7.898 1.037 19179 939 1 3 . 1 1 34 34 HIS N N 34 126.015 126.015 120.538 5.477 19179 940 1 3 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.850 -0.275 19179 941 1 3 . 1 1 34 34 HIS C C 34 173.077 173.077 173.926 -0.849 19179 942 1 3 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.827 2.808 19179 943 1 3 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.754 -0.965 19179 944 1 3 . 1 1 34 34 HIS H H 34 8.834 8.834 7.735 1.099 19179 945 1 3 . 1 1 35 35 GLU N N 35 122.059 122.059 126.072 -4.013 19179 946 1 3 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.330 -0.233 19179 947 1 3 . 1 1 35 35 GLU C C 35 178.839 178.839 177.514 1.325 19179 948 1 3 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.385 0.683 19179 949 1 3 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.642 0.091 19179 950 1 3 . 1 1 35 35 GLU H H 35 7.643 7.643 8.796 -1.153 19179 951 1 3 . 1 1 36 36 GLY N N 36 114.969 114.969 113.521 1.448 19179 952 1 3 . 1 1 36 36 GLY C C 36 173.165 173.165 174.375 -1.210 19179 953 1 3 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.188 -0.202 19179 954 1 3 . 1 1 36 36 GLY H H 36 10.615 10.615 8.769 1.846 19179 955 1 3 . 1 1 37 37 THR N N 37 116.476 116.476 117.495 -1.019 19179 956 1 3 . 1 1 37 37 THR HA H 37 4.466 4.466 4.526 -0.060 19179 957 1 3 . 1 1 37 37 THR C C 37 172.121 172.121 173.293 -1.172 19179 958 1 3 . 1 1 37 37 THR CA C 37 62.490 62.490 62.955 -0.465 19179 959 1 3 . 1 1 37 37 THR CB C 37 68.752 68.752 69.967 -1.215 19179 960 1 3 . 1 1 37 37 THR H H 37 7.669 7.669 7.625 0.044 19179 961 1 3 . 1 1 38 38 TYR N N 38 124.951 124.951 123.732 1.219 19179 962 1 3 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.704 0.931 19179 963 1 3 . 1 1 38 38 TYR C C 38 174.538 174.538 173.953 0.585 19179 964 1 3 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.478 -1.477 19179 965 1 3 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.196 -0.585 19179 966 1 3 . 1 1 38 38 TYR H H 38 8.622 8.622 8.673 -0.051 19179 967 1 3 . 1 1 39 39 PHE N N 39 115.194 115.194 115.221 -0.027 19179 968 1 3 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.984 0.100 19179 969 1 3 . 1 1 39 39 PHE C C 39 173.379 173.379 172.454 0.925 19179 970 1 3 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.898 -1.960 19179 971 1 3 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.909 -1.689 19179 972 1 3 . 1 1 39 39 PHE H H 39 8.483 8.483 8.847 -0.364 19179 973 1 3 . 1 1 40 40 SER N N 40 114.429 114.429 118.563 -4.134 19179 974 1 3 . 1 1 40 40 SER HA H 40 4.341 4.341 4.570 -0.229 19179 975 1 3 . 1 1 40 40 SER C C 40 173.355 173.355 174.354 -0.999 19179 976 1 3 . 1 1 40 40 SER CA C 40 60.726 60.726 56.838 3.888 19179 977 1 3 . 1 1 40 40 SER CB C 40 63.544 63.544 65.180 -1.637 19179 978 1 3 . 1 1 40 40 SER H H 40 9.519 9.519 8.604 0.915 19179 979 1 3 . 1 1 41 41 ASP N N 41 125.551 125.551 127.307 -1.756 19179 980 1 3 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.561 0.352 19179 981 1 3 . 1 1 41 41 ASP C C 41 176.230 176.230 175.799 0.431 19179 982 1 3 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.452 -1.713 19179 983 1 3 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.014 -1.289 19179 984 1 3 . 1 1 41 41 ASP H H 41 8.431 8.431 8.298 0.133 19179 985 1 3 . 1 1 42 42 SER N N 42 114.674 114.674 119.885 -5.211 19179 986 1 3 . 1 1 42 42 SER HA H 42 4.370 4.370 4.389 -0.019 19179 987 1 3 . 1 1 42 42 SER C C 42 177.229 177.229 175.669 1.560 19179 988 1 3 . 1 1 42 42 SER CA C 42 59.770 59.770 59.185 0.585 19179 989 1 3 . 1 1 42 42 SER CB C 42 62.951 62.951 63.663 -0.712 19179 990 1 3 . 1 1 42 42 SER H H 42 9.001 9.001 8.584 0.417 19179 991 1 3 . 1 1 43 43 GLY N N 43 130.573 130.573 114.779 15.794 19179 992 1 3 . 1 1 43 43 GLY C C 43 172.823 172.823 173.655 -0.832 19179 993 1 3 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.995 0.834 19179 994 1 3 . 1 1 43 43 GLY H H 43 8.261 8.261 9.081 -0.820 19179 995 1 3 . 1 1 44 44 ASP N N 44 120.029 120.029 121.600 -1.571 19179 996 1 3 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.939 -0.198 19179 997 1 3 . 1 1 44 44 ASP C C 44 176.327 176.327 175.494 0.833 19179 998 1 3 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.499 -0.190 19179 999 1 3 . 1 1 44 44 ASP CB C 44 40.067 40.067 42.066 -1.999 19179 1000 1 3 . 1 1 44 44 ASP H H 44 8.583 8.583 7.818 0.765 19179 1001 1 3 . 1 1 45 45 ILE N N 45 129.584 129.584 120.668 8.916 19179 1002 1 3 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.862 -0.171 19179 1003 1 3 . 1 1 45 45 ILE C C 45 177.352 177.352 177.805 -0.453 19179 1004 1 3 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.489 1.478 19179 1005 1 3 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.363 -0.550 19179 1006 1 3 . 1 1 45 45 ILE H H 45 8.589 8.589 8.325 0.264 19179 1007 1 3 . 1 1 46 46 SER N N 46 117.808 117.808 114.874 2.934 19179 1008 1 3 . 1 1 46 46 SER HA H 46 4.338 4.338 4.197 0.141 19179 1009 1 3 . 1 1 46 46 SER C C 46 177.116 177.116 176.508 0.608 19179 1010 1 3 . 1 1 46 46 SER CA C 46 61.744 61.744 61.277 0.467 19179 1011 1 3 . 1 1 46 46 SER CB C 46 62.502 62.502 62.881 -0.379 19179 1012 1 3 . 1 1 46 46 SER H H 46 8.275 8.275 8.381 -0.106 19179 1013 1 3 . 1 1 47 47 GLU N N 47 121.839 121.839 121.730 0.109 19179 1014 1 3 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.084 -0.042 19179 1015 1 3 . 1 1 47 47 GLU C C 47 178.981 178.981 177.421 1.560 19179 1016 1 3 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.127 0.291 19179 1017 1 3 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.117 0.140 19179 1018 1 3 . 1 1 47 47 GLU H H 47 7.372 7.372 8.361 -0.989 19179 1019 1 3 . 1 1 48 48 ALA N N 48 122.935 122.935 121.594 1.341 19179 1020 1 3 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.119 -0.258 19179 1021 1 3 . 1 1 48 48 ALA C C 48 178.641 178.641 179.470 -0.829 19179 1022 1 3 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.301 0.024 19179 1023 1 3 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.316 -0.923 19179 1024 1 3 . 1 1 48 48 ALA H H 48 6.925 6.925 7.580 -0.655 19179 1025 1 3 . 1 1 49 49 GLU N N 49 118.249 118.249 119.996 -1.747 19179 1026 1 3 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.044 -0.431 19179 1027 1 3 . 1 1 49 49 GLU C C 49 177.879 177.879 178.675 -0.796 19179 1028 1 3 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.118 1.204 19179 1029 1 3 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.028 -0.160 19179 1030 1 3 . 1 1 49 49 GLU H H 49 8.288 8.288 7.899 0.389 19179 1031 1 3 . 1 1 50 50 GLU N N 50 117.450 117.450 121.083 -3.633 19179 1032 1 3 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.116 -0.194 19179 1033 1 3 . 1 1 50 50 GLU C C 50 179.532 179.532 178.935 0.597 19179 1034 1 3 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.282 0.471 19179 1035 1 3 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.852 -0.824 19179 1036 1 3 . 1 1 50 50 GLU H H 50 8.108 8.108 7.834 0.274 19179 1037 1 3 . 1 1 51 51 LEU N N 51 120.169 120.169 119.477 0.692 19179 1038 1 3 . 1 1 51 51 LEU HA H 51 4.307 4.307 3.969 0.338 19179 1039 1 3 . 1 1 51 51 LEU C C 51 178.285 178.285 179.214 -0.929 19179 1040 1 3 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.095 -0.657 19179 1041 1 3 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.611 -0.845 19179 1042 1 3 . 1 1 51 51 LEU H H 51 7.835 7.835 8.557 -0.722 19179 1043 1 3 . 1 1 52 52 ALA N N 52 121.167 121.167 121.540 -0.373 19179 1044 1 3 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.185 -0.390 19179 1045 1 3 . 1 1 52 52 ALA C C 52 178.611 178.611 179.704 -1.093 19179 1046 1 3 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.789 0.858 19179 1047 1 3 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.394 -0.218 19179 1048 1 3 . 1 1 52 52 ALA H H 52 8.286 8.286 8.420 -0.134 19179 1049 1 3 . 1 1 53 53 ARG N N 53 115.092 115.092 119.685 -4.593 19179 1050 1 3 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.317 -0.590 19179 1051 1 3 . 1 1 53 53 ARG C C 53 179.136 179.136 178.581 0.555 19179 1052 1 3 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.930 0.678 19179 1053 1 3 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.344 -0.824 19179 1054 1 3 . 1 1 53 53 ARG H H 53 7.957 7.957 8.405 -0.448 19179 1055 1 3 . 1 1 54 54 GLU N N 54 122.263 122.263 118.762 3.501 19179 1056 1 3 . 1 1 54 54 GLU HA H 54 4.064 4.064 3.991 0.073 19179 1057 1 3 . 1 1 54 54 GLU C C 54 179.159 179.159 178.795 0.364 19179 1058 1 3 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.899 0.519 19179 1059 1 3 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.251 0.637 19179 1060 1 3 . 1 1 54 54 GLU H H 54 8.089 8.089 8.212 -0.123 19179 1061 1 3 . 1 1 55 55 LYS N N 55 118.511 118.511 119.680 -1.169 19179 1062 1 3 . 1 1 55 55 LYS HA H 55 3.810 3.810 3.970 -0.160 19179 1063 1 3 . 1 1 55 55 LYS C C 55 179.078 179.078 179.135 -0.057 19179 1064 1 3 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.383 0.427 19179 1065 1 3 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.249 0.494 19179 1066 1 3 . 1 1 55 55 LYS H H 55 9.118 9.118 8.391 0.727 19179 1067 1 3 . 1 1 56 56 PHE N N 56 119.918 119.918 116.739 3.179 19179 1068 1 3 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.484 -0.622 19179 1069 1 3 . 1 1 56 56 PHE H H 56 8.456 8.456 8.673 -0.217 19179 1070 1 3 . 1 1 57 57 GLU N N 57 121.819 121.819 119.938 1.881 19179 1071 1 3 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.665 0.463 19179 1072 1 3 . 1 1 57 57 GLU C C 57 177.889 177.889 177.615 0.274 19179 1073 1 3 . 1 1 57 57 GLU CA C 57 59.238 59.238 57.425 1.813 19179 1074 1 3 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.520 0.963 19179 1075 1 3 . 1 1 57 57 GLU H H 57 8.153 8.153 7.205 0.948 19179 1076 1 3 . 1 1 58 58 LYS N N 58 115.784 115.784 117.024 -1.240 19179 1077 1 3 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.318 -0.051 19179 1078 1 3 . 1 1 58 58 LYS C C 58 176.710 176.710 176.691 0.019 19179 1079 1 3 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.485 1.257 19179 1080 1 3 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.456 -0.429 19179 1081 1 3 . 1 1 58 58 LYS H H 58 7.684 7.684 8.031 -0.347 19179 1082 1 3 . 1 1 59 59 GLY N N 59 130.075 130.075 108.305 21.770 19179 1083 1 3 . 1 1 59 59 GLY C C 59 175.969 175.969 173.514 2.455 19179 1084 1 3 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.098 1.232 19179 1085 1 3 . 1 1 59 59 GLY H H 59 7.644 7.644 7.244 0.400 19179 1086 1 3 . 1 1 60 60 GLU N N 60 117.714 117.714 120.111 -2.397 19179 1087 1 3 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.553 -0.214 19179 1088 1 3 . 1 1 60 60 GLU C C 60 175.359 175.359 174.828 0.531 19179 1089 1 3 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.355 0.178 19179 1090 1 3 . 1 1 60 60 GLU CB C 60 30.356 30.356 32.002 -1.646 19179 1091 1 3 . 1 1 60 60 GLU H H 60 8.008 8.008 8.422 -0.414 19179 1092 1 3 . 1 1 61 61 VAL N N 61 120.144 120.144 119.150 0.994 19179 1093 1 3 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.480 0.042 19179 1094 1 3 . 1 1 61 61 VAL C C 61 176.175 176.175 175.001 1.174 19179 1095 1 3 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.311 -0.044 19179 1096 1 3 . 1 1 61 61 VAL CB C 61 33.686 33.686 34.523 -0.837 19179 1097 1 3 . 1 1 61 61 VAL H H 61 7.745 7.745 8.238 -0.493 19179 1098 1 3 . 1 1 62 62 SER N N 62 126.283 126.283 116.812 9.471 19179 1099 1 3 . 1 1 62 62 SER HA H 62 4.644 4.644 4.708 -0.064 19179 1100 1 3 . 1 1 62 62 SER C C 62 176.781 176.781 174.466 2.315 19179 1101 1 3 . 1 1 62 62 SER CA C 62 60.796 60.796 59.606 1.190 19179 1102 1 3 . 1 1 62 62 SER CB C 62 65.061 65.061 63.758 1.303 19179 1103 1 3 . 1 1 62 62 SER H H 62 11.396 11.396 8.433 2.963 19179 1104 1 3 . 1 1 63 63 ASN N N 63 118.526 118.526 120.486 -1.960 19179 1105 1 3 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.893 -0.161 19179 1106 1 3 . 1 1 63 63 ASN C C 63 172.632 172.632 175.716 -3.084 19179 1107 1 3 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.450 2.136 19179 1108 1 3 . 1 1 63 63 ASN CB C 63 39.772 39.772 39.116 0.656 19179 1109 1 3 . 1 1 63 63 ASN H H 63 10.333 10.333 8.330 2.003 19179 1110 1 3 . 1 1 64 64 PHE N N 64 112.992 112.992 119.591 -6.599 19179 1111 1 3 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.020 0.846 19179 1112 1 3 . 1 1 64 64 PHE C C 64 174.310 174.310 175.258 -0.948 19179 1113 1 3 . 1 1 64 64 PHE CA C 64 56.626 56.626 59.842 -3.216 19179 1114 1 3 . 1 1 64 64 PHE CB C 64 42.883 42.883 38.031 4.852 19179 1115 1 3 . 1 1 64 64 PHE H H 64 6.971 6.971 8.324 -1.353 19179 1116 1 3 . 1 1 65 65 ASP HA H 65 4.888 4.888 3.531 1.357 19179 1117 1 3 . 1 1 65 65 ASP C C 65 175.049 175.049 176.187 -1.138 19179 1118 1 3 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.559 -1.912 19179 1119 1 3 . 1 1 65 65 ASP CB C 65 41.367 41.367 40.440 0.927 19179 1120 1 3 . 1 1 66 66 ASP N N 66 119.568 119.568 119.150 0.418 19179 1121 1 3 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.921 -0.060 19179 1122 1 3 . 1 1 66 66 ASP C C 66 175.858 175.858 176.249 -0.391 19179 1123 1 3 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.161 -0.498 19179 1124 1 3 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.235 2.026 19179 1125 1 3 . 1 1 66 66 ASP H H 66 7.413 7.413 8.028 -0.615 19179 1126 1 3 . 1 1 67 67 VAL N N 67 127.826 127.826 121.336 6.490 19179 1127 1 3 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.843 -0.861 19179 1128 1 3 . 1 1 67 67 VAL C C 67 175.173 175.173 176.652 -1.479 19179 1129 1 3 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.462 -2.251 19179 1130 1 3 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.330 -1.482 19179 1131 1 3 . 1 1 67 67 VAL H H 67 8.298 8.298 8.410 -0.112 19179 1132 1 3 . 1 1 68 68 GLU N N 68 120.580 120.580 122.260 -1.680 19179 1133 1 3 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.897 0.152 19179 1134 1 3 . 1 1 68 68 GLU C C 68 180.052 180.052 178.180 1.872 19179 1135 1 3 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.665 -1.807 19179 1136 1 3 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.750 -1.346 19179 1137 1 3 . 1 1 68 68 GLU H H 68 7.909 7.909 8.740 -0.831 19179 1138 1 3 . 1 1 69 69 GLU N N 69 121.347 121.347 119.820 1.527 19179 1139 1 3 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.098 -0.166 19179 1140 1 3 . 1 1 69 69 GLU C C 69 179.095 179.095 178.610 0.485 19179 1141 1 3 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.952 0.035 19179 1142 1 3 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.659 -0.139 19179 1143 1 3 . 1 1 69 69 GLU H H 69 7.669 7.669 7.916 -0.247 19179 1144 1 3 . 1 1 70 70 LEU N N 70 120.330 120.330 121.004 -0.674 19179 1145 1 3 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.966 -1.021 19179 1146 1 3 . 1 1 70 70 LEU C C 70 177.014 177.014 179.122 -2.108 19179 1147 1 3 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.022 -0.543 19179 1148 1 3 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.434 -1.190 19179 1149 1 3 . 1 1 70 70 LEU H H 70 7.184 7.184 7.940 -0.756 19179 1150 1 3 . 1 1 71 71 VAL N N 71 118.625 118.625 115.169 3.456 19179 1151 1 3 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.673 -0.603 19179 1152 1 3 . 1 1 71 71 VAL C C 71 177.049 177.049 177.579 -0.530 19179 1153 1 3 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.010 1.878 19179 1154 1 3 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.839 0.556 19179 1155 1 3 . 1 1 71 71 VAL H H 71 8.262 8.262 8.418 -0.156 19179 1156 1 3 . 1 1 72 72 LYS N N 72 116.770 116.770 119.511 -2.741 19179 1157 1 3 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.963 -0.126 19179 1158 1 3 . 1 1 72 72 LYS C C 72 179.439 179.439 178.521 0.918 19179 1159 1 3 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.450 0.504 19179 1160 1 3 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.902 0.717 19179 1161 1 3 . 1 1 72 72 LYS H H 72 7.791 7.791 7.959 -0.168 19179 1162 1 3 . 1 1 73 73 LYS N N 73 121.221 121.221 119.967 1.254 19179 1163 1 3 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.123 0.093 19179 1164 1 3 . 1 1 73 73 LYS C C 73 177.539 177.539 179.111 -1.572 19179 1165 1 3 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.492 -1.167 19179 1166 1 3 . 1 1 73 73 LYS CB C 73 31.906 31.906 31.712 0.194 19179 1167 1 3 . 1 1 73 73 LYS H H 73 7.796 7.796 7.963 -0.167 19179 1168 1 3 . 1 1 74 74 VAL N N 74 119.691 119.691 121.180 -1.489 19179 1169 1 3 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.770 -0.355 19179 1170 1 3 . 1 1 74 74 VAL C C 74 177.638 177.638 178.067 -0.429 19179 1171 1 3 . 1 1 74 74 VAL CA C 74 66.863 66.863 65.941 0.922 19179 1172 1 3 . 1 1 74 74 VAL H H 74 8.445 8.445 8.006 0.439 19179 1173 1 3 . 1 1 75 75 VAL N N 75 120.095 120.095 120.608 -0.513 19179 1174 1 3 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.636 -0.284 19179 1175 1 3 . 1 1 75 75 VAL C C 75 177.621 177.621 177.329 0.292 19179 1176 1 3 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.579 1.180 19179 1177 1 3 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.550 -2.394 19179 1178 1 3 . 1 1 75 75 VAL H H 75 8.521 8.521 8.348 0.173 19179 1179 1 3 . 1 1 76 76 ALA N N 76 120.276 120.276 122.499 -2.223 19179 1180 1 3 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.007 0.184 19179 1181 1 3 . 1 1 76 76 ALA C C 76 181.968 181.968 179.644 2.324 19179 1182 1 3 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.443 0.038 19179 1183 1 3 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.090 0.305 19179 1184 1 3 . 1 1 76 76 ALA H H 76 7.839 7.839 8.047 -0.208 19179 1185 1 3 . 1 1 77 77 VAL N N 77 114.746 114.746 118.701 -3.955 19179 1186 1 3 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.506 0.512 19179 1187 1 3 . 1 1 77 77 VAL C C 77 178.133 178.133 177.794 0.339 19179 1188 1 3 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.219 -0.689 19179 1189 1 3 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.832 -0.889 19179 1190 1 3 . 1 1 77 77 VAL H H 77 8.662 8.662 7.956 0.706 19179 1191 1 3 . 1 1 78 78 CYS N N 78 119.096 119.096 117.748 1.348 19179 1192 1 3 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.872 0.119 19179 1193 1 3 . 1 1 78 78 CYS C C 78 177.621 177.621 177.824 -0.203 19179 1194 1 3 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.938 0.838 19179 1195 1 3 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.105 0.235 19179 1196 1 3 . 1 1 78 78 CYS H H 78 7.740 7.740 8.529 -0.789 19179 1197 1 3 . 1 1 79 79 GLU N N 79 118.797 118.797 119.546 -0.749 19179 1198 1 3 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.118 -0.082 19179 1199 1 3 . 1 1 79 79 GLU C C 79 179.135 179.135 178.874 0.261 19179 1200 1 3 . 1 1 79 79 GLU CA C 79 58.900 58.900 59.008 -0.108 19179 1201 1 3 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.107 0.603 19179 1202 1 3 . 1 1 79 79 GLU H H 79 8.106 8.106 8.215 -0.109 19179 1203 1 3 . 1 1 80 80 GLU N N 80 119.483 119.483 119.071 0.412 19179 1204 1 3 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.148 -0.527 19179 1205 1 3 . 1 1 80 80 GLU C C 80 177.433 177.433 178.101 -0.668 19179 1206 1 3 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.230 0.481 19179 1207 1 3 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.653 1.005 19179 1208 1 3 . 1 1 80 80 GLU H H 80 8.167 8.167 8.026 0.141 19179 1209 1 3 . 1 1 81 81 LEU N N 81 117.475 117.475 118.081 -0.606 19179 1210 1 3 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.320 0.332 19179 1211 1 3 . 1 1 81 81 LEU C C 81 177.355 177.355 176.880 0.475 19179 1212 1 3 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.943 -0.534 19179 1213 1 3 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.153 -0.700 19179 1214 1 3 . 1 1 81 81 LEU H H 81 8.145 8.145 7.722 0.423 19179 1215 1 3 . 1 1 82 82 GLY N N 82 127.998 127.998 108.014 19.984 19179 1216 1 3 . 1 1 82 82 GLY C C 82 175.024 175.024 173.670 1.354 19179 1217 1 3 . 1 1 82 82 GLY CA C 82 47.639 47.639 46.003 1.636 19179 1218 1 3 . 1 1 82 82 GLY H H 82 7.218 7.218 7.334 -0.116 19179 1219 1 3 . 1 1 83 83 ALA N N 83 126.068 126.068 121.453 4.615 19179 1220 1 3 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.731 -0.230 19179 1221 1 3 . 1 1 83 83 ALA C C 83 177.567 177.567 175.750 1.817 19179 1222 1 3 . 1 1 83 83 ALA CA C 83 52.104 52.104 50.949 1.155 19179 1223 1 3 . 1 1 83 83 ALA CB C 83 20.574 20.574 22.008 -1.434 19179 1224 1 3 . 1 1 83 83 ALA H H 83 8.202 8.202 7.605 0.597 19179 1225 1 3 . 1 1 84 84 GLU N N 84 118.661 118.661 121.240 -2.579 19179 1226 1 3 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.791 -0.539 19179 1227 1 3 . 1 1 84 84 GLU C C 84 175.915 175.915 175.297 0.618 19179 1228 1 3 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.514 3.157 19179 1229 1 3 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.337 -0.670 19179 1230 1 3 . 1 1 84 84 GLU H H 84 9.004 9.004 9.034 -0.030 19179 1231 1 3 . 1 1 85 85 GLU N N 85 111.162 111.162 116.175 -5.013 19179 1232 1 3 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.398 -0.517 19179 1233 1 3 . 1 1 85 85 GLU C C 85 173.815 173.815 174.437 -0.622 19179 1234 1 3 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.020 -2.363 19179 1235 1 3 . 1 1 85 85 GLU CB C 85 32.364 32.364 30.234 2.130 19179 1236 1 3 . 1 1 85 85 GLU H H 85 7.318 7.318 8.324 -1.006 19179 1237 1 3 . 1 1 86 86 CYS N N 86 122.106 122.106 121.606 0.500 19179 1238 1 3 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.901 -0.823 19179 1239 1 3 . 1 1 86 86 CYS C C 86 177.088 177.088 175.782 1.306 19179 1240 1 3 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.521 1.949 19179 1241 1 3 . 1 1 86 86 CYS CB C 86 29.441 29.441 25.634 3.807 19179 1242 1 3 . 1 1 86 86 CYS H H 86 8.035 8.035 8.772 -0.737 19179 1243 1 3 . 1 1 87 87 PHE N N 87 129.406 129.406 128.228 1.178 19179 1244 1 3 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.151 0.341 19179 1245 1 3 . 1 1 87 87 PHE C C 87 176.921 176.921 176.221 0.700 19179 1246 1 3 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.568 -0.971 19179 1247 1 3 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.216 -0.277 19179 1248 1 3 . 1 1 87 87 PHE H H 87 8.292 8.292 8.717 -0.425 19179 1249 1 3 . 1 1 88 88 SER N N 88 118.356 118.356 116.798 1.558 19179 1250 1 3 . 1 1 88 88 SER HA H 88 4.131 4.131 4.156 -0.025 19179 1251 1 3 . 1 1 88 88 SER C C 88 174.940 174.940 176.351 -1.411 19179 1252 1 3 . 1 1 88 88 SER CA C 88 60.832 60.832 61.557 -0.725 19179 1253 1 3 . 1 1 88 88 SER CB C 88 62.143 62.143 62.716 -0.573 19179 1254 1 3 . 1 1 88 88 SER H H 88 8.436 8.436 8.437 -0.001 19179 1255 1 3 . 1 1 89 89 CYS N N 89 125.476 125.476 119.431 6.045 19179 1256 1 3 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.528 -0.415 19179 1257 1 3 . 1 1 89 89 CYS C C 89 174.660 174.660 176.217 -1.557 19179 1258 1 3 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.217 2.546 19179 1259 1 3 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.295 4.140 19179 1260 1 3 . 1 1 89 89 CYS H H 89 7.699 7.699 8.231 -0.532 19179 1261 1 3 . 1 1 90 90 ASP N N 90 119.756 119.756 119.667 0.089 19179 1262 1 3 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.409 0.108 19179 1263 1 3 . 1 1 90 90 ASP C C 90 175.429 175.429 175.755 -0.326 19179 1264 1 3 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.102 0.940 19179 1265 1 3 . 1 1 90 90 ASP CB C 90 42.007 42.007 40.458 1.549 19179 1266 1 3 . 1 1 90 90 ASP H H 90 7.569 7.569 7.514 0.055 19179 1267 1 3 . 1 1 91 91 PHE N N 91 120.531 120.531 117.950 2.581 19179 1268 1 3 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.487 0.142 19179 1269 1 3 . 1 1 91 91 PHE C C 91 174.893 174.893 175.628 -0.735 19179 1270 1 3 . 1 1 91 91 PHE CA C 91 57.260 57.260 56.762 0.498 19179 1271 1 3 . 1 1 91 91 PHE CB C 91 39.545 39.545 39.346 0.199 19179 1272 1 3 . 1 1 91 91 PHE H H 91 7.910 7.910 7.616 0.294 19179 1273 1 4 . 1 1 17 17 GLU C C 17 178.498 178.498 177.495 1.003 19179 1274 1 4 . 1 1 18 18 ALA N N 18 117.689 117.689 124.209 -6.520 19179 1275 1 4 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.218 0.156 19179 1276 1 4 . 1 1 18 18 ALA CB C 18 18.425 18.425 17.932 0.493 19179 1277 1 4 . 1 1 18 18 ALA H H 18 8.085 8.085 8.237 -0.152 19179 1278 1 4 . 1 1 19 19 VAL C C 19 177.450 177.450 177.373 0.077 19179 1279 1 4 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.963 0.849 19179 1280 1 4 . 1 1 19 19 VAL CB C 19 31.269 31.269 30.640 0.629 19179 1281 1 4 . 1 1 20 20 TYR N N 20 116.865 116.865 120.624 -3.759 19179 1282 1 4 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.176 -0.051 19179 1283 1 4 . 1 1 20 20 TYR C C 20 179.914 179.914 178.822 1.092 19179 1284 1 4 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.946 2.384 19179 1285 1 4 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.526 -0.344 19179 1286 1 4 . 1 1 20 20 TYR H H 20 8.138 8.138 7.887 0.251 19179 1287 1 4 . 1 1 21 21 ILE N N 21 122.973 122.973 119.396 3.577 19179 1288 1 4 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.638 0.020 19179 1289 1 4 . 1 1 21 21 ILE C C 21 176.306 176.306 178.227 -1.921 19179 1290 1 4 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.824 2.275 19179 1291 1 4 . 1 1 21 21 ILE CB C 21 37.886 37.886 36.954 0.932 19179 1292 1 4 . 1 1 21 21 ILE H H 21 8.112 8.112 8.414 -0.302 19179 1293 1 4 . 1 1 22 22 ALA N N 22 122.302 122.302 123.234 -0.932 19179 1294 1 4 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.262 -0.415 19179 1295 1 4 . 1 1 22 22 ALA C C 22 179.987 179.987 180.182 -0.195 19179 1296 1 4 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.434 -0.250 19179 1297 1 4 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.685 0.249 19179 1298 1 4 . 1 1 22 22 ALA H H 22 7.839 7.839 8.111 -0.272 19179 1299 1 4 . 1 1 23 23 ILE N N 23 119.408 119.408 117.630 1.778 19179 1300 1 4 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.928 0.442 19179 1301 1 4 . 1 1 23 23 ILE C C 23 180.184 180.184 177.039 3.145 19179 1302 1 4 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.102 0.603 19179 1303 1 4 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.000 1.342 19179 1304 1 4 . 1 1 23 23 ILE H H 23 8.328 8.328 8.669 -0.341 19179 1305 1 4 . 1 1 24 24 GLU N N 24 125.684 125.684 121.731 3.953 19179 1306 1 4 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.224 -0.336 19179 1307 1 4 . 1 1 24 24 GLU C C 24 178.861 178.861 177.963 0.898 19179 1308 1 4 . 1 1 24 24 GLU CA C 24 52.588 52.588 57.781 -5.193 19179 1309 1 4 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.293 -0.207 19179 1310 1 4 . 1 1 24 24 GLU H H 24 8.344 8.344 8.188 0.156 19179 1311 1 4 . 1 1 25 25 ALA N N 25 117.589 117.589 121.100 -3.511 19179 1312 1 4 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.118 0.074 19179 1313 1 4 . 1 1 25 25 ALA C C 25 177.866 177.866 177.934 -0.068 19179 1314 1 4 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.563 -1.103 19179 1315 1 4 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.070 0.261 19179 1316 1 4 . 1 1 25 25 ALA H H 25 8.228 8.228 8.020 0.208 19179 1317 1 4 . 1 1 26 26 GLY N N 26 129.923 129.923 103.734 26.189 19179 1318 1 4 . 1 1 26 26 GLY C C 26 173.535 173.535 174.076 -0.541 19179 1319 1 4 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.611 0.176 19179 1320 1 4 . 1 1 26 26 GLY H H 26 8.189 8.189 7.729 0.460 19179 1321 1 4 . 1 1 27 27 THR N N 27 119.446 119.446 116.125 3.321 19179 1322 1 4 . 1 1 27 27 THR HA H 27 4.445 4.445 4.440 0.005 19179 1323 1 4 . 1 1 27 27 THR C C 27 176.521 176.521 174.558 1.963 19179 1324 1 4 . 1 1 27 27 THR CA C 27 66.568 66.568 64.517 2.051 19179 1325 1 4 . 1 1 27 27 THR CB C 27 51.731 51.731 70.146 -18.415 19179 1326 1 4 . 1 1 27 27 THR H H 27 7.919 7.919 7.654 0.265 19179 1327 1 4 . 1 1 28 28 LEU N N 28 119.632 119.632 117.118 2.514 19179 1328 1 4 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.587 0.426 19179 1329 1 4 . 1 1 28 28 LEU C C 28 173.798 173.798 174.204 -0.406 19179 1330 1 4 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.206 -1.206 19179 1331 1 4 . 1 1 28 28 LEU CB C 28 46.821 46.821 43.943 2.878 19179 1332 1 4 . 1 1 28 28 LEU H H 28 7.026 7.026 7.223 -0.197 19179 1333 1 4 . 1 1 29 29 ALA N N 29 121.053 121.053 119.058 1.995 19179 1334 1 4 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.545 -0.153 19179 1335 1 4 . 1 1 29 29 ALA C C 29 173.471 173.471 174.163 -0.692 19179 1336 1 4 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.965 0.718 19179 1337 1 4 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.502 1.468 19179 1338 1 4 . 1 1 29 29 ALA H H 29 8.856 8.856 7.889 0.967 19179 1339 1 4 . 1 1 30 30 GLU N N 30 119.234 119.234 118.454 0.780 19179 1340 1 4 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.469 0.330 19179 1341 1 4 . 1 1 30 30 GLU C C 30 176.292 176.292 174.684 1.608 19179 1342 1 4 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.534 -1.073 19179 1343 1 4 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.819 1.316 19179 1344 1 4 . 1 1 30 30 GLU H H 30 8.244 8.244 8.244 -0.000 19179 1345 1 4 . 1 1 31 31 CYS N N 31 129.774 129.774 122.165 7.609 19179 1346 1 4 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.444 -0.132 19179 1347 1 4 . 1 1 31 31 CYS C C 31 175.519 175.519 176.835 -1.316 19179 1348 1 4 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.069 1.475 19179 1349 1 4 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.241 1.347 19179 1350 1 4 . 1 1 31 31 CYS H H 31 8.586 8.586 8.773 -0.187 19179 1351 1 4 . 1 1 32 32 GLU N N 32 126.867 126.867 128.320 -1.453 19179 1352 1 4 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.168 -0.079 19179 1353 1 4 . 1 1 32 32 GLU C C 32 177.061 177.061 176.429 0.632 19179 1354 1 4 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.628 0.100 19179 1355 1 4 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.730 0.703 19179 1356 1 4 . 1 1 32 32 GLU H H 32 8.756 8.756 9.010 -0.254 19179 1357 1 4 . 1 1 33 33 VAL N N 33 122.528 122.528 115.667 6.861 19179 1358 1 4 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.164 -0.346 19179 1359 1 4 . 1 1 33 33 VAL C C 33 176.434 176.434 174.567 1.867 19179 1360 1 4 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.814 2.318 19179 1361 1 4 . 1 1 33 33 VAL CB C 33 33.744 33.744 33.257 0.487 19179 1362 1 4 . 1 1 33 33 VAL H H 33 8.935 8.935 7.882 1.053 19179 1363 1 4 . 1 1 34 34 HIS N N 34 126.015 126.015 120.871 5.144 19179 1364 1 4 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.842 -0.267 19179 1365 1 4 . 1 1 34 34 HIS C C 34 173.077 173.077 173.562 -0.485 19179 1366 1 4 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.778 2.857 19179 1367 1 4 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.848 -1.059 19179 1368 1 4 . 1 1 34 34 HIS H H 34 8.834 8.834 7.799 1.035 19179 1369 1 4 . 1 1 35 35 GLU N N 35 122.059 122.059 123.550 -1.491 19179 1370 1 4 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.140 -0.043 19179 1371 1 4 . 1 1 35 35 GLU C C 35 178.839 178.839 177.307 1.532 19179 1372 1 4 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.361 0.707 19179 1373 1 4 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.431 0.302 19179 1374 1 4 . 1 1 35 35 GLU H H 35 7.643 7.643 8.792 -1.149 19179 1375 1 4 . 1 1 36 36 GLY N N 36 114.969 114.969 113.596 1.373 19179 1376 1 4 . 1 1 36 36 GLY C C 36 173.165 173.165 174.099 -0.934 19179 1377 1 4 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.862 0.124 19179 1378 1 4 . 1 1 36 36 GLY H H 36 10.615 10.615 8.689 1.926 19179 1379 1 4 . 1 1 37 37 THR N N 37 116.476 116.476 114.814 1.662 19179 1380 1 4 . 1 1 37 37 THR HA H 37 4.466 4.466 4.504 -0.038 19179 1381 1 4 . 1 1 37 37 THR C C 37 172.121 172.121 173.260 -1.139 19179 1382 1 4 . 1 1 37 37 THR CA C 37 62.490 62.490 61.964 0.526 19179 1383 1 4 . 1 1 37 37 THR CB C 37 68.752 68.752 70.295 -1.543 19179 1384 1 4 . 1 1 37 37 THR H H 37 7.669 7.669 7.472 0.197 19179 1385 1 4 . 1 1 38 38 TYR N N 38 124.951 124.951 123.799 1.152 19179 1386 1 4 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.692 0.943 19179 1387 1 4 . 1 1 38 38 TYR C C 38 174.538 174.538 173.945 0.593 19179 1388 1 4 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.540 -1.539 19179 1389 1 4 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.348 -0.737 19179 1390 1 4 . 1 1 38 38 TYR H H 38 8.622 8.622 8.471 0.151 19179 1391 1 4 . 1 1 39 39 PHE N N 39 115.194 115.194 115.643 -0.449 19179 1392 1 4 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.064 0.020 19179 1393 1 4 . 1 1 39 39 PHE C C 39 173.379 173.379 172.574 0.805 19179 1394 1 4 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.984 -2.046 19179 1395 1 4 . 1 1 39 39 PHE CB C 39 39.220 39.220 39.973 -0.753 19179 1396 1 4 . 1 1 39 39 PHE H H 39 8.483 8.483 8.896 -0.413 19179 1397 1 4 . 1 1 40 40 SER N N 40 114.429 114.429 118.673 -4.244 19179 1398 1 4 . 1 1 40 40 SER HA H 40 4.341 4.341 4.563 -0.222 19179 1399 1 4 . 1 1 40 40 SER C C 40 173.355 173.355 174.628 -1.273 19179 1400 1 4 . 1 1 40 40 SER CA C 40 60.726 60.726 56.701 4.025 19179 1401 1 4 . 1 1 40 40 SER CB C 40 63.544 63.544 64.886 -1.343 19179 1402 1 4 . 1 1 40 40 SER H H 40 9.519 9.519 8.521 0.998 19179 1403 1 4 . 1 1 41 41 ASP N N 41 125.551 125.551 124.046 1.505 19179 1404 1 4 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.525 0.388 19179 1405 1 4 . 1 1 41 41 ASP C C 41 176.230 176.230 176.101 0.129 19179 1406 1 4 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.590 -1.851 19179 1407 1 4 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.043 -1.318 19179 1408 1 4 . 1 1 41 41 ASP H H 41 8.431 8.431 8.764 -0.333 19179 1409 1 4 . 1 1 42 42 SER N N 42 114.674 114.674 120.955 -6.281 19179 1410 1 4 . 1 1 42 42 SER HA H 42 4.370 4.370 4.376 -0.006 19179 1411 1 4 . 1 1 42 42 SER C C 42 177.229 177.229 175.730 1.499 19179 1412 1 4 . 1 1 42 42 SER CA C 42 59.770 59.770 59.332 0.438 19179 1413 1 4 . 1 1 42 42 SER CB C 42 62.951 62.951 63.779 -0.828 19179 1414 1 4 . 1 1 42 42 SER H H 42 9.001 9.001 8.435 0.566 19179 1415 1 4 . 1 1 43 43 GLY N N 43 130.573 130.573 114.305 16.268 19179 1416 1 4 . 1 1 43 43 GLY C C 43 172.823 172.823 173.903 -1.080 19179 1417 1 4 . 1 1 43 43 GLY CA C 43 45.829 45.829 45.023 0.806 19179 1418 1 4 . 1 1 43 43 GLY H H 43 8.261 8.261 8.953 -0.692 19179 1419 1 4 . 1 1 44 44 ASP N N 44 120.029 120.029 121.195 -1.166 19179 1420 1 4 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.958 -0.217 19179 1421 1 4 . 1 1 44 44 ASP C C 44 176.327 176.327 175.326 1.001 19179 1422 1 4 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.492 -0.183 19179 1423 1 4 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.791 -1.724 19179 1424 1 4 . 1 1 44 44 ASP H H 44 8.583 8.583 7.754 0.829 19179 1425 1 4 . 1 1 45 45 ILE N N 45 129.584 129.584 120.881 8.703 19179 1426 1 4 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.867 -0.176 19179 1427 1 4 . 1 1 45 45 ILE C C 45 177.352 177.352 177.559 -0.207 19179 1428 1 4 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.831 1.136 19179 1429 1 4 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.258 -0.445 19179 1430 1 4 . 1 1 45 45 ILE H H 45 8.589 8.589 8.272 0.317 19179 1431 1 4 . 1 1 46 46 SER N N 46 117.808 117.808 116.099 1.709 19179 1432 1 4 . 1 1 46 46 SER HA H 46 4.338 4.338 4.248 0.090 19179 1433 1 4 . 1 1 46 46 SER C C 46 177.116 177.116 176.246 0.870 19179 1434 1 4 . 1 1 46 46 SER CA C 46 61.744 61.744 60.736 1.008 19179 1435 1 4 . 1 1 46 46 SER CB C 46 62.502 62.502 62.439 0.063 19179 1436 1 4 . 1 1 46 46 SER H H 46 8.275 8.275 8.411 -0.136 19179 1437 1 4 . 1 1 47 47 GLU N N 47 121.839 121.839 123.830 -1.991 19179 1438 1 4 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.096 -0.054 19179 1439 1 4 . 1 1 47 47 GLU C C 47 178.981 178.981 177.373 1.608 19179 1440 1 4 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.097 0.321 19179 1441 1 4 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.128 0.130 19179 1442 1 4 . 1 1 47 47 GLU H H 47 7.372 7.372 8.440 -1.068 19179 1443 1 4 . 1 1 48 48 ALA N N 48 122.935 122.935 120.910 2.025 19179 1444 1 4 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.108 -0.247 19179 1445 1 4 . 1 1 48 48 ALA C C 48 178.641 178.641 179.278 -0.637 19179 1446 1 4 . 1 1 48 48 ALA CA C 48 55.325 55.325 54.846 0.479 19179 1447 1 4 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.492 -1.101 19179 1448 1 4 . 1 1 48 48 ALA H H 48 6.925 6.925 7.645 -0.720 19179 1449 1 4 . 1 1 49 49 GLU N N 49 118.249 118.249 119.642 -1.393 19179 1450 1 4 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.059 -0.446 19179 1451 1 4 . 1 1 49 49 GLU C C 49 177.879 177.879 178.386 -0.507 19179 1452 1 4 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.178 1.144 19179 1453 1 4 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.395 -0.527 19179 1454 1 4 . 1 1 49 49 GLU H H 49 8.288 8.288 8.099 0.189 19179 1455 1 4 . 1 1 50 50 GLU N N 50 117.450 117.450 121.327 -3.877 19179 1456 1 4 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.032 -0.110 19179 1457 1 4 . 1 1 50 50 GLU C C 50 179.532 179.532 178.938 0.594 19179 1458 1 4 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.556 0.197 19179 1459 1 4 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.509 -0.481 19179 1460 1 4 . 1 1 50 50 GLU H H 50 8.108 8.108 8.305 -0.197 19179 1461 1 4 . 1 1 51 51 LEU N N 51 120.169 120.169 118.778 1.391 19179 1462 1 4 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.346 -0.039 19179 1463 1 4 . 1 1 51 51 LEU C C 51 178.285 178.285 178.589 -0.304 19179 1464 1 4 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.558 -0.120 19179 1465 1 4 . 1 1 51 51 LEU CB C 51 40.766 40.766 40.793 -0.027 19179 1466 1 4 . 1 1 51 51 LEU H H 51 7.835 7.835 8.445 -0.610 19179 1467 1 4 . 1 1 52 52 ALA N N 52 121.167 121.167 124.424 -3.257 19179 1468 1 4 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.140 -0.345 19179 1469 1 4 . 1 1 52 52 ALA C C 52 178.611 178.611 179.652 -1.041 19179 1470 1 4 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.071 0.576 19179 1471 1 4 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.750 -0.574 19179 1472 1 4 . 1 1 52 52 ALA H H 52 8.286 8.286 7.980 0.306 19179 1473 1 4 . 1 1 53 53 ARG N N 53 115.092 115.092 118.934 -3.842 19179 1474 1 4 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.063 -0.336 19179 1475 1 4 . 1 1 53 53 ARG C C 53 179.136 179.136 178.375 0.761 19179 1476 1 4 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.278 1.330 19179 1477 1 4 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.063 -0.543 19179 1478 1 4 . 1 1 53 53 ARG H H 53 7.957 7.957 8.591 -0.634 19179 1479 1 4 . 1 1 54 54 GLU N N 54 122.263 122.263 121.171 1.092 19179 1480 1 4 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.288 -0.224 19179 1481 1 4 . 1 1 54 54 GLU C C 54 179.159 179.159 178.951 0.208 19179 1482 1 4 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.940 0.478 19179 1483 1 4 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.135 0.753 19179 1484 1 4 . 1 1 54 54 GLU H H 54 8.089 8.089 8.273 -0.184 19179 1485 1 4 . 1 1 55 55 LYS N N 55 118.511 118.511 118.706 -0.195 19179 1486 1 4 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.038 -0.228 19179 1487 1 4 . 1 1 55 55 LYS C C 55 179.078 179.078 179.879 -0.801 19179 1488 1 4 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.964 0.846 19179 1489 1 4 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.125 0.618 19179 1490 1 4 . 1 1 55 55 LYS H H 55 9.118 9.118 8.242 0.876 19179 1491 1 4 . 1 1 56 56 PHE N N 56 119.918 119.918 120.671 -0.753 19179 1492 1 4 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.274 -0.412 19179 1493 1 4 . 1 1 56 56 PHE H H 56 8.456 8.456 8.627 -0.171 19179 1494 1 4 . 1 1 57 57 GLU N N 57 121.819 121.819 120.459 1.360 19179 1495 1 4 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.370 -0.242 19179 1496 1 4 . 1 1 57 57 GLU C C 57 177.889 177.889 177.847 0.042 19179 1497 1 4 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.136 1.101 19179 1498 1 4 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.338 0.145 19179 1499 1 4 . 1 1 57 57 GLU H H 57 8.153 8.153 8.350 -0.197 19179 1500 1 4 . 1 1 58 58 LYS N N 58 115.784 115.784 117.569 -1.785 19179 1501 1 4 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.265 0.002 19179 1502 1 4 . 1 1 58 58 LYS C C 58 176.710 176.710 176.913 -0.203 19179 1503 1 4 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.391 0.351 19179 1504 1 4 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.388 0.639 19179 1505 1 4 . 1 1 58 58 LYS H H 58 7.684 7.684 7.826 -0.142 19179 1506 1 4 . 1 1 59 59 GLY N N 59 130.075 130.075 107.243 22.832 19179 1507 1 4 . 1 1 59 59 GLY C C 59 175.969 175.969 174.551 1.418 19179 1508 1 4 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.517 0.813 19179 1509 1 4 . 1 1 59 59 GLY H H 59 7.644 7.644 7.635 0.009 19179 1510 1 4 . 1 1 60 60 GLU N N 60 117.714 117.714 118.395 -0.681 19179 1511 1 4 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.866 -0.527 19179 1512 1 4 . 1 1 60 60 GLU C C 60 175.359 175.359 176.248 -0.889 19179 1513 1 4 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.199 0.334 19179 1514 1 4 . 1 1 60 60 GLU CB C 60 30.356 30.356 34.104 -3.748 19179 1515 1 4 . 1 1 60 60 GLU H H 60 8.008 8.008 8.435 -0.427 19179 1516 1 4 . 1 1 61 61 VAL N N 61 120.144 120.144 114.944 5.200 19179 1517 1 4 . 1 1 61 61 VAL HA H 61 4.522 4.522 3.728 0.794 19179 1518 1 4 . 1 1 61 61 VAL C C 61 176.175 176.175 175.573 0.602 19179 1519 1 4 . 1 1 61 61 VAL CA C 61 61.267 61.267 63.532 -2.265 19179 1520 1 4 . 1 1 61 61 VAL CB C 61 33.686 33.686 31.231 2.455 19179 1521 1 4 . 1 1 61 61 VAL H H 61 7.745 7.745 8.719 -0.974 19179 1522 1 4 . 1 1 62 62 SER N N 62 126.283 126.283 115.921 10.362 19179 1523 1 4 . 1 1 62 62 SER HA H 62 4.644 4.644 3.788 0.856 19179 1524 1 4 . 1 1 62 62 SER C C 62 176.781 176.781 174.932 1.849 19179 1525 1 4 . 1 1 62 62 SER CA C 62 60.796 60.796 59.935 0.861 19179 1526 1 4 . 1 1 62 62 SER CB C 62 65.061 65.061 62.563 2.498 19179 1527 1 4 . 1 1 62 62 SER H H 62 11.396 11.396 8.565 2.831 19179 1528 1 4 . 1 1 63 63 ASN N N 63 118.526 118.526 118.470 0.056 19179 1529 1 4 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.685 0.047 19179 1530 1 4 . 1 1 63 63 ASN C C 63 172.632 172.632 174.793 -2.161 19179 1531 1 4 . 1 1 63 63 ASN CA C 63 54.586 54.586 54.097 0.489 19179 1532 1 4 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.853 0.919 19179 1533 1 4 . 1 1 63 63 ASN H H 63 10.333 10.333 7.725 2.608 19179 1534 1 4 . 1 1 64 64 PHE N N 64 112.992 112.992 116.030 -3.038 19179 1535 1 4 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.244 0.622 19179 1536 1 4 . 1 1 64 64 PHE C C 64 174.310 174.310 175.488 -1.178 19179 1537 1 4 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.986 -2.360 19179 1538 1 4 . 1 1 64 64 PHE CB C 64 42.883 42.883 36.093 6.790 19179 1539 1 4 . 1 1 64 64 PHE H H 64 6.971 6.971 7.758 -0.787 19179 1540 1 4 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.723 0.165 19179 1541 1 4 . 1 1 65 65 ASP C C 65 175.049 175.049 176.913 -1.864 19179 1542 1 4 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.178 -1.531 19179 1543 1 4 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.833 -0.466 19179 1544 1 4 . 1 1 66 66 ASP N N 66 119.568 119.568 119.188 0.380 19179 1545 1 4 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.829 0.032 19179 1546 1 4 . 1 1 66 66 ASP C C 66 175.858 175.858 176.715 -0.857 19179 1547 1 4 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.958 -1.295 19179 1548 1 4 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.544 2.717 19179 1549 1 4 . 1 1 66 66 ASP H H 66 7.413 7.413 8.384 -0.971 19179 1550 1 4 . 1 1 67 67 VAL N N 67 127.826 127.826 122.187 5.639 19179 1551 1 4 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.696 -0.714 19179 1552 1 4 . 1 1 67 67 VAL C C 67 175.173 175.173 176.671 -1.498 19179 1553 1 4 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.765 -1.554 19179 1554 1 4 . 1 1 67 67 VAL CB C 67 30.848 30.848 31.954 -1.106 19179 1555 1 4 . 1 1 67 67 VAL H H 67 8.298 8.298 7.928 0.370 19179 1556 1 4 . 1 1 68 68 GLU N N 68 120.580 120.580 118.817 1.763 19179 1557 1 4 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.978 0.071 19179 1558 1 4 . 1 1 68 68 GLU C C 68 180.052 180.052 179.101 0.951 19179 1559 1 4 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.128 -2.270 19179 1560 1 4 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.785 -1.381 19179 1561 1 4 . 1 1 68 68 GLU H H 68 7.909 7.909 8.825 -0.916 19179 1562 1 4 . 1 1 69 69 GLU N N 69 121.347 121.347 120.092 1.255 19179 1563 1 4 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.179 -0.247 19179 1564 1 4 . 1 1 69 69 GLU C C 69 179.095 179.095 178.844 0.251 19179 1565 1 4 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.717 0.270 19179 1566 1 4 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.116 0.405 19179 1567 1 4 . 1 1 69 69 GLU H H 69 7.669 7.669 8.405 -0.736 19179 1568 1 4 . 1 1 70 70 LEU N N 70 120.330 120.330 120.497 -0.167 19179 1569 1 4 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.046 -1.101 19179 1570 1 4 . 1 1 70 70 LEU C C 70 177.014 177.014 179.057 -2.043 19179 1571 1 4 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.331 -0.852 19179 1572 1 4 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.393 -1.149 19179 1573 1 4 . 1 1 70 70 LEU H H 70 7.184 7.184 8.291 -1.107 19179 1574 1 4 . 1 1 71 71 VAL N N 71 118.625 118.625 116.663 1.962 19179 1575 1 4 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.713 -0.643 19179 1576 1 4 . 1 1 71 71 VAL C C 71 177.049 177.049 177.883 -0.834 19179 1577 1 4 . 1 1 71 71 VAL CA C 71 67.888 67.888 65.544 2.344 19179 1578 1 4 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.426 0.969 19179 1579 1 4 . 1 1 71 71 VAL H H 71 8.262 8.262 8.557 -0.295 19179 1580 1 4 . 1 1 72 72 LYS N N 72 116.770 116.770 120.490 -3.720 19179 1581 1 4 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.030 -0.193 19179 1582 1 4 . 1 1 72 72 LYS C C 72 179.439 179.439 178.453 0.986 19179 1583 1 4 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.288 0.666 19179 1584 1 4 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.893 0.726 19179 1585 1 4 . 1 1 72 72 LYS H H 72 7.791 7.791 7.994 -0.203 19179 1586 1 4 . 1 1 73 73 LYS N N 73 121.221 121.221 118.969 2.252 19179 1587 1 4 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.006 0.210 19179 1588 1 4 . 1 1 73 73 LYS C C 73 177.539 177.539 179.077 -1.538 19179 1589 1 4 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.204 -1.880 19179 1590 1 4 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.031 -0.125 19179 1591 1 4 . 1 1 73 73 LYS H H 73 7.796 7.796 8.093 -0.297 19179 1592 1 4 . 1 1 74 74 VAL N N 74 119.691 119.691 120.879 -1.188 19179 1593 1 4 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.658 -0.243 19179 1594 1 4 . 1 1 74 74 VAL C C 74 177.638 177.638 177.683 -0.045 19179 1595 1 4 . 1 1 74 74 VAL CA C 74 66.863 66.863 66.815 0.048 19179 1596 1 4 . 1 1 74 74 VAL H H 74 8.445 8.445 8.281 0.164 19179 1597 1 4 . 1 1 75 75 VAL N N 75 120.095 120.095 120.355 -0.260 19179 1598 1 4 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.561 -0.209 19179 1599 1 4 . 1 1 75 75 VAL C C 75 177.621 177.621 177.888 -0.267 19179 1600 1 4 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.709 1.050 19179 1601 1 4 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.572 -2.416 19179 1602 1 4 . 1 1 75 75 VAL H H 75 8.521 8.521 8.499 0.022 19179 1603 1 4 . 1 1 76 76 ALA N N 76 120.276 120.276 121.646 -1.370 19179 1604 1 4 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.076 0.115 19179 1605 1 4 . 1 1 76 76 ALA C C 76 181.968 181.968 179.416 2.552 19179 1606 1 4 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.616 -0.135 19179 1607 1 4 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.146 0.249 19179 1608 1 4 . 1 1 76 76 ALA H H 76 7.839 7.839 8.422 -0.583 19179 1609 1 4 . 1 1 77 77 VAL N N 77 114.746 114.746 119.197 -4.451 19179 1610 1 4 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.571 0.447 19179 1611 1 4 . 1 1 77 77 VAL C C 77 178.133 178.133 177.715 0.418 19179 1612 1 4 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.937 -1.407 19179 1613 1 4 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.723 -0.780 19179 1614 1 4 . 1 1 77 77 VAL H H 77 8.662 8.662 7.521 1.141 19179 1615 1 4 . 1 1 78 78 CYS N N 78 119.096 119.096 118.323 0.773 19179 1616 1 4 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.965 0.026 19179 1617 1 4 . 1 1 78 78 CYS C C 78 177.621 177.621 177.150 0.471 19179 1618 1 4 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.863 1.913 19179 1619 1 4 . 1 1 78 78 CYS CB C 78 27.340 27.340 26.175 1.165 19179 1620 1 4 . 1 1 78 78 CYS H H 78 7.740 7.740 8.634 -0.894 19179 1621 1 4 . 1 1 79 79 GLU N N 79 118.797 118.797 120.346 -1.549 19179 1622 1 4 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.093 -0.057 19179 1623 1 4 . 1 1 79 79 GLU C C 79 179.135 179.135 178.724 0.411 19179 1624 1 4 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.742 0.158 19179 1625 1 4 . 1 1 79 79 GLU CB C 79 29.710 29.710 28.857 0.853 19179 1626 1 4 . 1 1 79 79 GLU H H 79 8.106 8.106 8.566 -0.460 19179 1627 1 4 . 1 1 80 80 GLU N N 80 119.483 119.483 119.770 -0.287 19179 1628 1 4 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.146 -0.525 19179 1629 1 4 . 1 1 80 80 GLU C C 80 177.433 177.433 177.854 -0.421 19179 1630 1 4 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.388 0.323 19179 1631 1 4 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.670 0.988 19179 1632 1 4 . 1 1 80 80 GLU H H 80 8.167 8.167 8.200 -0.033 19179 1633 1 4 . 1 1 81 81 LEU N N 81 117.475 117.475 117.693 -0.218 19179 1634 1 4 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.304 0.348 19179 1635 1 4 . 1 1 81 81 LEU C C 81 177.355 177.355 176.868 0.487 19179 1636 1 4 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.730 -0.321 19179 1637 1 4 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.851 -1.398 19179 1638 1 4 . 1 1 81 81 LEU H H 81 8.145 8.145 7.648 0.497 19179 1639 1 4 . 1 1 82 82 GLY N N 82 127.998 127.998 107.565 20.433 19179 1640 1 4 . 1 1 82 82 GLY C C 82 175.024 175.024 173.700 1.324 19179 1641 1 4 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.805 1.834 19179 1642 1 4 . 1 1 82 82 GLY H H 82 7.218 7.218 7.381 -0.163 19179 1643 1 4 . 1 1 83 83 ALA N N 83 126.068 126.068 121.634 4.434 19179 1644 1 4 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.618 -0.117 19179 1645 1 4 . 1 1 83 83 ALA C C 83 177.567 177.567 175.723 1.844 19179 1646 1 4 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.406 0.698 19179 1647 1 4 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.896 -1.322 19179 1648 1 4 . 1 1 83 83 ALA H H 83 8.202 8.202 7.435 0.767 19179 1649 1 4 . 1 1 84 84 GLU N N 84 118.661 118.661 122.386 -3.725 19179 1650 1 4 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.763 -0.511 19179 1651 1 4 . 1 1 84 84 GLU C C 84 175.915 175.915 175.806 0.109 19179 1652 1 4 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.143 2.528 19179 1653 1 4 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.308 -0.642 19179 1654 1 4 . 1 1 84 84 GLU H H 84 9.004 9.004 9.043 -0.039 19179 1655 1 4 . 1 1 85 85 GLU N N 85 111.162 111.162 116.941 -5.779 19179 1656 1 4 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.361 -0.480 19179 1657 1 4 . 1 1 85 85 GLU C C 85 173.815 173.815 174.286 -0.471 19179 1658 1 4 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.360 -2.703 19179 1659 1 4 . 1 1 85 85 GLU CB C 85 32.364 32.364 33.343 -0.979 19179 1660 1 4 . 1 1 85 85 GLU H H 85 7.318 7.318 8.243 -0.925 19179 1661 1 4 . 1 1 86 86 CYS N N 86 122.106 122.106 123.357 -1.251 19179 1662 1 4 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.798 -0.720 19179 1663 1 4 . 1 1 86 86 CYS C C 86 177.088 177.088 175.756 1.332 19179 1664 1 4 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.633 1.837 19179 1665 1 4 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.889 4.552 19179 1666 1 4 . 1 1 86 86 CYS H H 86 8.035 8.035 8.735 -0.700 19179 1667 1 4 . 1 1 87 87 PHE N N 87 129.406 129.406 129.357 0.049 19179 1668 1 4 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.167 0.325 19179 1669 1 4 . 1 1 87 87 PHE C C 87 176.921 176.921 176.295 0.626 19179 1670 1 4 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.392 0.205 19179 1671 1 4 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.001 -0.062 19179 1672 1 4 . 1 1 87 87 PHE H H 87 8.292 8.292 8.830 -0.538 19179 1673 1 4 . 1 1 88 88 SER N N 88 118.356 118.356 116.088 2.268 19179 1674 1 4 . 1 1 88 88 SER HA H 88 4.131 4.131 4.115 0.016 19179 1675 1 4 . 1 1 88 88 SER C C 88 174.940 174.940 177.140 -2.200 19179 1676 1 4 . 1 1 88 88 SER CA C 88 60.832 60.832 61.091 -0.259 19179 1677 1 4 . 1 1 88 88 SER CB C 88 62.143 62.143 62.159 -0.016 19179 1678 1 4 . 1 1 88 88 SER H H 88 8.436 8.436 8.429 0.007 19179 1679 1 4 . 1 1 89 89 CYS N N 89 125.476 125.476 120.182 5.294 19179 1680 1 4 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.420 -0.307 19179 1681 1 4 . 1 1 89 89 CYS C C 89 174.660 174.660 176.143 -1.483 19179 1682 1 4 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.611 2.152 19179 1683 1 4 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.983 3.452 19179 1684 1 4 . 1 1 89 89 CYS H H 89 7.699 7.699 7.944 -0.245 19179 1685 1 4 . 1 1 90 90 ASP N N 90 119.756 119.756 117.793 1.963 19179 1686 1 4 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.699 -0.182 19179 1687 1 4 . 1 1 90 90 ASP C C 90 175.429 175.429 175.254 0.175 19179 1688 1 4 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.398 0.645 19179 1689 1 4 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.073 0.934 19179 1690 1 4 . 1 1 90 90 ASP H H 90 7.569 7.569 7.894 -0.325 19179 1691 1 4 . 1 1 91 91 PHE N N 91 120.531 120.531 122.261 -1.730 19179 1692 1 4 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.252 0.377 19179 1693 1 4 . 1 1 91 91 PHE C C 91 174.893 174.893 174.768 0.125 19179 1694 1 4 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.434 -0.174 19179 1695 1 4 . 1 1 91 91 PHE CB C 91 39.545 39.545 38.722 0.823 19179 1696 1 4 . 1 1 91 91 PHE H H 91 7.910 7.910 8.139 -0.229 19179 1697 1 5 . 1 1 17 17 GLU C C 17 178.498 178.498 176.266 2.232 19179 1698 1 5 . 1 1 18 18 ALA N N 18 117.689 117.689 122.093 -4.404 19179 1699 1 5 . 1 1 18 18 ALA CA C 18 55.374 55.374 54.829 0.545 19179 1700 1 5 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.730 -0.305 19179 1701 1 5 . 1 1 18 18 ALA H H 18 8.085 8.085 8.591 -0.506 19179 1702 1 5 . 1 1 19 19 VAL C C 19 177.450 177.450 177.453 -0.003 19179 1703 1 5 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.799 1.013 19179 1704 1 5 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.136 0.133 19179 1705 1 5 . 1 1 20 20 TYR N N 20 116.865 116.865 118.500 -1.635 19179 1706 1 5 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.215 -0.090 19179 1707 1 5 . 1 1 20 20 TYR C C 20 179.914 179.914 178.710 1.204 19179 1708 1 5 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.975 1.355 19179 1709 1 5 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.654 -0.472 19179 1710 1 5 . 1 1 20 20 TYR H H 20 8.138 8.138 8.036 0.102 19179 1711 1 5 . 1 1 21 21 ILE N N 21 122.973 122.973 119.127 3.846 19179 1712 1 5 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.686 -0.028 19179 1713 1 5 . 1 1 21 21 ILE C C 21 176.306 176.306 177.370 -1.064 19179 1714 1 5 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.606 2.493 19179 1715 1 5 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.928 -0.042 19179 1716 1 5 . 1 1 21 21 ILE H H 21 8.112 8.112 8.557 -0.445 19179 1717 1 5 . 1 1 22 22 ALA N N 22 122.302 122.302 121.559 0.743 19179 1718 1 5 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.122 -0.275 19179 1719 1 5 . 1 1 22 22 ALA C C 22 179.987 179.987 179.563 0.424 19179 1720 1 5 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.252 -0.068 19179 1721 1 5 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.483 0.452 19179 1722 1 5 . 1 1 22 22 ALA H H 22 7.839 7.839 7.978 -0.139 19179 1723 1 5 . 1 1 23 23 ILE N N 23 119.408 119.408 115.045 4.363 19179 1724 1 5 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.221 0.149 19179 1725 1 5 . 1 1 23 23 ILE C C 23 180.184 180.184 175.581 4.603 19179 1726 1 5 . 1 1 23 23 ILE CA C 23 63.705 63.705 62.386 1.319 19179 1727 1 5 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.826 -0.484 19179 1728 1 5 . 1 1 23 23 ILE H H 23 8.328 8.328 7.969 0.359 19179 1729 1 5 . 1 1 24 24 GLU N N 24 125.684 125.684 119.984 5.700 19179 1730 1 5 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.412 -0.524 19179 1731 1 5 . 1 1 24 24 GLU C C 24 178.861 178.861 177.262 1.599 19179 1732 1 5 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.557 -3.969 19179 1733 1 5 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.478 -0.392 19179 1734 1 5 . 1 1 24 24 GLU H H 24 8.344 8.344 8.556 -0.212 19179 1735 1 5 . 1 1 25 25 ALA N N 25 117.589 117.589 121.245 -3.656 19179 1736 1 5 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.326 -0.134 19179 1737 1 5 . 1 1 25 25 ALA C C 25 177.866 177.866 177.458 0.408 19179 1738 1 5 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.962 -0.502 19179 1739 1 5 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.165 0.166 19179 1740 1 5 . 1 1 25 25 ALA H H 25 8.228 8.228 8.004 0.224 19179 1741 1 5 . 1 1 26 26 GLY N N 26 129.923 129.923 104.552 25.371 19179 1742 1 5 . 1 1 26 26 GLY C C 26 173.535 173.535 175.214 -1.679 19179 1743 1 5 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.218 -0.430 19179 1744 1 5 . 1 1 26 26 GLY H H 26 8.189 8.189 7.530 0.659 19179 1745 1 5 . 1 1 27 27 THR N N 27 119.446 119.446 116.812 2.634 19179 1746 1 5 . 1 1 27 27 THR HA H 27 4.445 4.445 4.099 0.346 19179 1747 1 5 . 1 1 27 27 THR C C 27 176.521 176.521 173.835 2.686 19179 1748 1 5 . 1 1 27 27 THR CA C 27 66.568 66.568 65.917 0.651 19179 1749 1 5 . 1 1 27 27 THR CB C 27 51.731 51.731 69.246 -17.515 19179 1750 1 5 . 1 1 27 27 THR H H 27 7.919 7.919 8.235 -0.316 19179 1751 1 5 . 1 1 28 28 LEU N N 28 119.632 119.632 118.568 1.064 19179 1752 1 5 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.335 0.678 19179 1753 1 5 . 1 1 28 28 LEU C C 28 173.798 173.798 174.235 -0.437 19179 1754 1 5 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.675 -1.675 19179 1755 1 5 . 1 1 28 28 LEU CB C 28 46.821 46.821 45.481 1.340 19179 1756 1 5 . 1 1 28 28 LEU H H 28 7.026 7.026 7.598 -0.572 19179 1757 1 5 . 1 1 29 29 ALA N N 29 121.053 121.053 125.457 -4.404 19179 1758 1 5 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.444 -0.052 19179 1759 1 5 . 1 1 29 29 ALA C C 29 173.471 173.471 174.252 -0.781 19179 1760 1 5 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.292 0.391 19179 1761 1 5 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.454 1.516 19179 1762 1 5 . 1 1 29 29 ALA H H 29 8.856 8.856 8.007 0.849 19179 1763 1 5 . 1 1 30 30 GLU N N 30 119.234 119.234 119.009 0.225 19179 1764 1 5 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.454 0.345 19179 1765 1 5 . 1 1 30 30 GLU C C 30 176.292 176.292 175.091 1.201 19179 1766 1 5 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.223 -0.762 19179 1767 1 5 . 1 1 30 30 GLU CB C 30 33.135 33.135 30.904 2.231 19179 1768 1 5 . 1 1 30 30 GLU H H 30 8.244 8.244 7.803 0.441 19179 1769 1 5 . 1 1 31 31 CYS N N 31 129.774 129.774 122.853 6.921 19179 1770 1 5 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.476 -0.164 19179 1771 1 5 . 1 1 31 31 CYS C C 31 175.519 175.519 177.110 -1.591 19179 1772 1 5 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.116 1.428 19179 1773 1 5 . 1 1 31 31 CYS CB C 31 28.588 28.588 28.021 0.567 19179 1774 1 5 . 1 1 31 31 CYS H H 31 8.586 8.586 8.599 -0.013 19179 1775 1 5 . 1 1 32 32 GLU N N 32 126.867 126.867 126.832 0.035 19179 1776 1 5 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.375 -0.286 19179 1777 1 5 . 1 1 32 32 GLU C C 32 177.061 177.061 176.196 0.865 19179 1778 1 5 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.782 -0.054 19179 1779 1 5 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.536 0.897 19179 1780 1 5 . 1 1 32 32 GLU H H 32 8.756 8.756 8.902 -0.146 19179 1781 1 5 . 1 1 33 33 VAL N N 33 122.528 122.528 117.001 5.527 19179 1782 1 5 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.136 -0.318 19179 1783 1 5 . 1 1 33 33 VAL C C 33 176.434 176.434 174.718 1.716 19179 1784 1 5 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.645 2.487 19179 1785 1 5 . 1 1 33 33 VAL CB C 33 33.744 33.744 33.052 0.692 19179 1786 1 5 . 1 1 33 33 VAL H H 33 8.935 8.935 7.904 1.031 19179 1787 1 5 . 1 1 34 34 HIS N N 34 126.015 126.015 121.166 4.849 19179 1788 1 5 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.848 -0.273 19179 1789 1 5 . 1 1 34 34 HIS C C 34 173.077 173.077 173.950 -0.873 19179 1790 1 5 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.713 2.922 19179 1791 1 5 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.320 -0.531 19179 1792 1 5 . 1 1 34 34 HIS H H 34 8.834 8.834 7.722 1.112 19179 1793 1 5 . 1 1 35 35 GLU N N 35 122.059 122.059 124.749 -2.690 19179 1794 1 5 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.287 -0.190 19179 1795 1 5 . 1 1 35 35 GLU C C 35 178.839 178.839 176.927 1.912 19179 1796 1 5 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.193 0.875 19179 1797 1 5 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.433 0.300 19179 1798 1 5 . 1 1 35 35 GLU H H 35 7.643 7.643 8.752 -1.109 19179 1799 1 5 . 1 1 36 36 GLY N N 36 114.969 114.969 113.832 1.137 19179 1800 1 5 . 1 1 36 36 GLY C C 36 173.165 173.165 174.342 -1.177 19179 1801 1 5 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.009 -0.023 19179 1802 1 5 . 1 1 36 36 GLY H H 36 10.615 10.615 8.884 1.731 19179 1803 1 5 . 1 1 37 37 THR N N 37 116.476 116.476 119.468 -2.992 19179 1804 1 5 . 1 1 37 37 THR HA H 37 4.466 4.466 4.597 -0.131 19179 1805 1 5 . 1 1 37 37 THR C C 37 172.121 172.121 173.046 -0.925 19179 1806 1 5 . 1 1 37 37 THR CA C 37 62.490 62.490 62.782 -0.292 19179 1807 1 5 . 1 1 37 37 THR CB C 37 68.752 68.752 69.104 -0.352 19179 1808 1 5 . 1 1 37 37 THR H H 37 7.669 7.669 7.741 -0.072 19179 1809 1 5 . 1 1 38 38 TYR N N 38 124.951 124.951 124.519 0.432 19179 1810 1 5 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.639 0.996 19179 1811 1 5 . 1 1 38 38 TYR C C 38 174.538 174.538 174.013 0.525 19179 1812 1 5 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.270 -1.269 19179 1813 1 5 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.187 -0.576 19179 1814 1 5 . 1 1 38 38 TYR H H 38 8.622 8.622 8.573 0.049 19179 1815 1 5 . 1 1 39 39 PHE N N 39 115.194 115.194 115.060 0.134 19179 1816 1 5 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.926 0.158 19179 1817 1 5 . 1 1 39 39 PHE C C 39 173.379 173.379 172.517 0.862 19179 1818 1 5 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.808 -1.870 19179 1819 1 5 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.395 -1.175 19179 1820 1 5 . 1 1 39 39 PHE H H 39 8.483 8.483 8.670 -0.187 19179 1821 1 5 . 1 1 40 40 SER N N 40 114.429 114.429 118.458 -4.029 19179 1822 1 5 . 1 1 40 40 SER HA H 40 4.341 4.341 4.483 -0.142 19179 1823 1 5 . 1 1 40 40 SER C C 40 173.355 173.355 174.414 -1.059 19179 1824 1 5 . 1 1 40 40 SER CA C 40 60.726 60.726 57.272 3.454 19179 1825 1 5 . 1 1 40 40 SER CB C 40 63.544 63.544 65.291 -1.747 19179 1826 1 5 . 1 1 40 40 SER H H 40 9.519 9.519 8.773 0.746 19179 1827 1 5 . 1 1 41 41 ASP N N 41 125.551 125.551 123.016 2.535 19179 1828 1 5 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.515 0.398 19179 1829 1 5 . 1 1 41 41 ASP C C 41 176.230 176.230 175.651 0.579 19179 1830 1 5 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.456 -1.717 19179 1831 1 5 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.683 -0.958 19179 1832 1 5 . 1 1 41 41 ASP H H 41 8.431 8.431 8.226 0.205 19179 1833 1 5 . 1 1 42 42 SER N N 42 114.674 114.674 120.725 -6.051 19179 1834 1 5 . 1 1 42 42 SER HA H 42 4.370 4.370 4.401 -0.031 19179 1835 1 5 . 1 1 42 42 SER C C 42 177.229 177.229 175.657 1.572 19179 1836 1 5 . 1 1 42 42 SER CA C 42 59.770 59.770 59.935 -0.165 19179 1837 1 5 . 1 1 42 42 SER CB C 42 62.951 62.951 63.710 -0.759 19179 1838 1 5 . 1 1 42 42 SER H H 42 9.001 9.001 8.142 0.859 19179 1839 1 5 . 1 1 43 43 GLY N N 43 130.573 130.573 115.744 14.829 19179 1840 1 5 . 1 1 43 43 GLY C C 43 172.823 172.823 173.891 -1.068 19179 1841 1 5 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.893 0.936 19179 1842 1 5 . 1 1 43 43 GLY H H 43 8.261 8.261 8.786 -0.525 19179 1843 1 5 . 1 1 44 44 ASP N N 44 120.029 120.029 120.723 -0.694 19179 1844 1 5 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.918 -0.177 19179 1845 1 5 . 1 1 44 44 ASP C C 44 176.327 176.327 176.358 -0.031 19179 1846 1 5 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.279 0.030 19179 1847 1 5 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.110 -1.043 19179 1848 1 5 . 1 1 44 44 ASP H H 44 8.583 8.583 7.808 0.775 19179 1849 1 5 . 1 1 45 45 ILE N N 45 129.584 129.584 124.429 5.155 19179 1850 1 5 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.920 -0.229 19179 1851 1 5 . 1 1 45 45 ILE C C 45 177.352 177.352 177.623 -0.271 19179 1852 1 5 . 1 1 45 45 ILE CA C 45 64.967 64.967 62.972 1.995 19179 1853 1 5 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.160 -0.347 19179 1854 1 5 . 1 1 45 45 ILE H H 45 8.589 8.589 8.538 0.051 19179 1855 1 5 . 1 1 46 46 SER N N 46 117.808 117.808 116.065 1.743 19179 1856 1 5 . 1 1 46 46 SER HA H 46 4.338 4.338 4.138 0.200 19179 1857 1 5 . 1 1 46 46 SER C C 46 177.116 177.116 176.033 1.083 19179 1858 1 5 . 1 1 46 46 SER CA C 46 61.744 61.744 61.925 -0.181 19179 1859 1 5 . 1 1 46 46 SER CB C 46 62.502 62.502 62.633 -0.131 19179 1860 1 5 . 1 1 46 46 SER H H 46 8.275 8.275 8.471 -0.196 19179 1861 1 5 . 1 1 47 47 GLU N N 47 121.839 121.839 122.339 -0.500 19179 1862 1 5 . 1 1 47 47 GLU HA H 47 4.042 4.042 3.997 0.045 19179 1863 1 5 . 1 1 47 47 GLU C C 47 178.981 178.981 177.829 1.152 19179 1864 1 5 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.046 0.372 19179 1865 1 5 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.242 0.016 19179 1866 1 5 . 1 1 47 47 GLU H H 47 7.372 7.372 7.890 -0.518 19179 1867 1 5 . 1 1 48 48 ALA N N 48 122.935 122.935 121.592 1.343 19179 1868 1 5 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.161 -0.300 19179 1869 1 5 . 1 1 48 48 ALA C C 48 178.641 178.641 179.662 -1.021 19179 1870 1 5 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.084 0.241 19179 1871 1 5 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.455 -1.063 19179 1872 1 5 . 1 1 48 48 ALA H H 48 6.925 6.925 8.097 -1.172 19179 1873 1 5 . 1 1 49 49 GLU N N 49 118.249 118.249 118.400 -0.151 19179 1874 1 5 . 1 1 49 49 GLU HA H 49 3.613 3.613 3.988 -0.375 19179 1875 1 5 . 1 1 49 49 GLU C C 49 177.879 177.879 179.009 -1.130 19179 1876 1 5 . 1 1 49 49 GLU CA C 49 60.322 60.322 58.748 1.574 19179 1877 1 5 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.975 -0.107 19179 1878 1 5 . 1 1 49 49 GLU H H 49 8.288 8.288 7.905 0.383 19179 1879 1 5 . 1 1 50 50 GLU N N 50 117.450 117.450 120.489 -3.039 19179 1880 1 5 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.051 -0.129 19179 1881 1 5 . 1 1 50 50 GLU C C 50 179.532 179.532 179.182 0.350 19179 1882 1 5 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.373 0.380 19179 1883 1 5 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.566 -0.538 19179 1884 1 5 . 1 1 50 50 GLU H H 50 8.108 8.108 8.187 -0.079 19179 1885 1 5 . 1 1 51 51 LEU N N 51 120.169 120.169 119.778 0.391 19179 1886 1 5 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.073 0.234 19179 1887 1 5 . 1 1 51 51 LEU C C 51 178.285 178.285 179.224 -0.939 19179 1888 1 5 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.097 -0.659 19179 1889 1 5 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.794 -1.028 19179 1890 1 5 . 1 1 51 51 LEU H H 51 7.835 7.835 8.627 -0.792 19179 1891 1 5 . 1 1 52 52 ALA N N 52 121.167 121.167 121.799 -0.632 19179 1892 1 5 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.305 -0.510 19179 1893 1 5 . 1 1 52 52 ALA C C 52 178.611 178.611 180.218 -1.607 19179 1894 1 5 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.792 0.855 19179 1895 1 5 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.297 -0.120 19179 1896 1 5 . 1 1 52 52 ALA H H 52 8.286 8.286 8.183 0.103 19179 1897 1 5 . 1 1 53 53 ARG N N 53 115.092 115.092 119.071 -3.979 19179 1898 1 5 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.021 -0.294 19179 1899 1 5 . 1 1 53 53 ARG C C 53 179.136 179.136 178.753 0.383 19179 1900 1 5 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.730 0.878 19179 1901 1 5 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.222 -0.702 19179 1902 1 5 . 1 1 53 53 ARG H H 53 7.957 7.957 8.448 -0.491 19179 1903 1 5 . 1 1 54 54 GLU N N 54 122.263 122.263 120.419 1.844 19179 1904 1 5 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.135 -0.071 19179 1905 1 5 . 1 1 54 54 GLU C C 54 179.159 179.159 178.779 0.380 19179 1906 1 5 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.288 0.129 19179 1907 1 5 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.646 0.242 19179 1908 1 5 . 1 1 54 54 GLU H H 54 8.089 8.089 8.171 -0.082 19179 1909 1 5 . 1 1 55 55 LYS N N 55 118.511 118.511 119.156 -0.645 19179 1910 1 5 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.033 -0.223 19179 1911 1 5 . 1 1 55 55 LYS C C 55 179.078 179.078 179.612 -0.534 19179 1912 1 5 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.260 0.551 19179 1913 1 5 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.191 0.553 19179 1914 1 5 . 1 1 55 55 LYS H H 55 9.118 9.118 8.481 0.637 19179 1915 1 5 . 1 1 56 56 PHE N N 56 119.918 119.918 119.791 0.127 19179 1916 1 5 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.430 -0.568 19179 1917 1 5 . 1 1 56 56 PHE H H 56 8.456 8.456 8.742 -0.286 19179 1918 1 5 . 1 1 57 57 GLU N N 57 121.819 121.819 120.919 0.900 19179 1919 1 5 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.277 -0.149 19179 1920 1 5 . 1 1 57 57 GLU C C 57 177.889 177.889 177.026 0.863 19179 1921 1 5 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.819 0.419 19179 1922 1 5 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.489 -0.007 19179 1923 1 5 . 1 1 57 57 GLU H H 57 8.153 8.153 8.193 -0.040 19179 1924 1 5 . 1 1 58 58 LYS N N 58 115.784 115.784 116.598 -0.814 19179 1925 1 5 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.398 -0.131 19179 1926 1 5 . 1 1 58 58 LYS C C 58 176.710 176.710 176.085 0.625 19179 1927 1 5 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.024 0.718 19179 1928 1 5 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.077 -0.050 19179 1929 1 5 . 1 1 58 58 LYS H H 58 7.684 7.684 7.812 -0.128 19179 1930 1 5 . 1 1 59 59 GLY N N 59 130.075 130.075 109.055 21.020 19179 1931 1 5 . 1 1 59 59 GLY C C 59 175.969 175.969 173.185 2.784 19179 1932 1 5 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.712 1.618 19179 1933 1 5 . 1 1 59 59 GLY H H 59 7.644 7.644 7.411 0.233 19179 1934 1 5 . 1 1 60 60 GLU N N 60 117.714 117.714 121.657 -3.943 19179 1935 1 5 . 1 1 60 60 GLU HA H 60 4.339 4.339 3.921 0.417 19179 1936 1 5 . 1 1 60 60 GLU C C 60 175.359 175.359 176.291 -0.932 19179 1937 1 5 . 1 1 60 60 GLU CA C 60 55.533 55.533 56.967 -1.434 19179 1938 1 5 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.079 0.277 19179 1939 1 5 . 1 1 60 60 GLU H H 60 8.008 8.008 8.028 -0.020 19179 1940 1 5 . 1 1 61 61 VAL N N 61 120.144 120.144 119.692 0.452 19179 1941 1 5 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.149 0.373 19179 1942 1 5 . 1 1 61 61 VAL C C 61 176.175 176.175 175.484 0.691 19179 1943 1 5 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.127 0.140 19179 1944 1 5 . 1 1 61 61 VAL CB C 61 33.686 33.686 34.361 -0.675 19179 1945 1 5 . 1 1 61 61 VAL H H 61 7.745 7.745 7.705 0.040 19179 1946 1 5 . 1 1 62 62 SER N N 62 126.283 126.283 119.038 7.245 19179 1947 1 5 . 1 1 62 62 SER HA H 62 4.644 4.644 4.427 0.217 19179 1948 1 5 . 1 1 62 62 SER C C 62 176.781 176.781 175.578 1.203 19179 1949 1 5 . 1 1 62 62 SER CA C 62 60.796 60.796 60.861 -0.064 19179 1950 1 5 . 1 1 62 62 SER CB C 62 65.061 65.061 63.056 2.005 19179 1951 1 5 . 1 1 62 62 SER H H 62 11.396 11.396 8.755 2.641 19179 1952 1 5 . 1 1 63 63 ASN N N 63 118.526 118.526 119.197 -0.671 19179 1953 1 5 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.781 -0.049 19179 1954 1 5 . 1 1 63 63 ASN C C 63 172.632 172.632 176.702 -4.070 19179 1955 1 5 . 1 1 63 63 ASN CA C 63 54.586 54.586 55.181 -0.595 19179 1956 1 5 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.504 1.268 19179 1957 1 5 . 1 1 63 63 ASN H H 63 10.333 10.333 8.478 1.855 19179 1958 1 5 . 1 1 64 64 PHE N N 64 112.992 112.992 119.138 -6.146 19179 1959 1 5 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.539 0.327 19179 1960 1 5 . 1 1 64 64 PHE C C 64 174.310 174.310 176.049 -1.739 19179 1961 1 5 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.342 -1.716 19179 1962 1 5 . 1 1 64 64 PHE CB C 64 42.883 42.883 38.071 4.812 19179 1963 1 5 . 1 1 64 64 PHE H H 64 6.971 6.971 8.790 -1.819 19179 1964 1 5 . 1 1 65 65 ASP HA H 65 4.888 4.888 3.627 1.261 19179 1965 1 5 . 1 1 65 65 ASP C C 65 175.049 175.049 176.233 -1.184 19179 1966 1 5 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.689 -2.042 19179 1967 1 5 . 1 1 65 65 ASP CB C 65 41.367 41.367 40.914 0.453 19179 1968 1 5 . 1 1 66 66 ASP N N 66 119.568 119.568 117.615 1.953 19179 1969 1 5 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.736 0.125 19179 1970 1 5 . 1 1 66 66 ASP C C 66 175.858 175.858 175.697 0.161 19179 1971 1 5 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.316 -0.653 19179 1972 1 5 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.590 1.671 19179 1973 1 5 . 1 1 66 66 ASP H H 66 7.413 7.413 7.876 -0.463 19179 1974 1 5 . 1 1 67 67 VAL N N 67 127.826 127.826 124.412 3.414 19179 1975 1 5 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.347 -0.365 19179 1976 1 5 . 1 1 67 67 VAL C C 67 175.173 175.173 177.093 -1.920 19179 1977 1 5 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.258 -2.047 19179 1978 1 5 . 1 1 67 67 VAL CB C 67 30.848 30.848 31.453 -0.605 19179 1979 1 5 . 1 1 67 67 VAL H H 67 8.298 8.298 8.479 -0.181 19179 1980 1 5 . 1 1 68 68 GLU N N 68 120.580 120.580 119.217 1.363 19179 1981 1 5 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.840 0.209 19179 1982 1 5 . 1 1 68 68 GLU C C 68 180.052 180.052 178.401 1.651 19179 1983 1 5 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.871 -2.013 19179 1984 1 5 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.709 -1.305 19179 1985 1 5 . 1 1 68 68 GLU H H 68 7.909 7.909 8.478 -0.569 19179 1986 1 5 . 1 1 69 69 GLU N N 69 121.347 121.347 119.652 1.695 19179 1987 1 5 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.063 -0.131 19179 1988 1 5 . 1 1 69 69 GLU C C 69 179.095 179.095 178.638 0.457 19179 1989 1 5 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.715 0.272 19179 1990 1 5 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.333 0.187 19179 1991 1 5 . 1 1 69 69 GLU H H 69 7.669 7.669 8.193 -0.524 19179 1992 1 5 . 1 1 70 70 LEU N N 70 120.330 120.330 120.758 -0.428 19179 1993 1 5 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.953 -1.008 19179 1994 1 5 . 1 1 70 70 LEU C C 70 177.014 177.014 179.072 -2.058 19179 1995 1 5 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.072 -0.593 19179 1996 1 5 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.394 -1.150 19179 1997 1 5 . 1 1 70 70 LEU H H 70 7.184 7.184 8.034 -0.850 19179 1998 1 5 . 1 1 71 71 VAL N N 71 118.625 118.625 115.642 2.983 19179 1999 1 5 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.526 -0.456 19179 2000 1 5 . 1 1 71 71 VAL C C 71 177.049 177.049 177.587 -0.538 19179 2001 1 5 . 1 1 71 71 VAL CA C 71 67.888 67.888 65.801 2.087 19179 2002 1 5 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.356 1.039 19179 2003 1 5 . 1 1 71 71 VAL H H 71 8.262 8.262 8.387 -0.125 19179 2004 1 5 . 1 1 72 72 LYS N N 72 116.770 116.770 120.886 -4.116 19179 2005 1 5 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.914 -0.077 19179 2006 1 5 . 1 1 72 72 LYS C C 72 179.439 179.439 179.232 0.207 19179 2007 1 5 . 1 1 72 72 LYS CA C 72 59.954 59.954 60.013 -0.059 19179 2008 1 5 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.996 0.623 19179 2009 1 5 . 1 1 72 72 LYS H H 72 7.791 7.791 7.938 -0.147 19179 2010 1 5 . 1 1 73 73 LYS N N 73 121.221 121.221 119.659 1.562 19179 2011 1 5 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.064 0.152 19179 2012 1 5 . 1 1 73 73 LYS C C 73 177.539 177.539 178.954 -1.415 19179 2013 1 5 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.646 -1.322 19179 2014 1 5 . 1 1 73 73 LYS CB C 73 31.906 31.906 31.809 0.097 19179 2015 1 5 . 1 1 73 73 LYS H H 73 7.796 7.796 7.838 -0.042 19179 2016 1 5 . 1 1 74 74 VAL N N 74 119.691 119.691 121.322 -1.631 19179 2017 1 5 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.599 -0.184 19179 2018 1 5 . 1 1 74 74 VAL C C 74 177.638 177.638 177.367 0.271 19179 2019 1 5 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.081 -0.218 19179 2020 1 5 . 1 1 74 74 VAL H H 74 8.445 8.445 7.949 0.496 19179 2021 1 5 . 1 1 75 75 VAL N N 75 120.095 120.095 120.294 -0.199 19179 2022 1 5 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.684 -0.332 19179 2023 1 5 . 1 1 75 75 VAL C C 75 177.621 177.621 177.602 0.019 19179 2024 1 5 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.508 2.251 19179 2025 1 5 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.127 -1.971 19179 2026 1 5 . 1 1 75 75 VAL H H 75 8.521 8.521 8.493 0.028 19179 2027 1 5 . 1 1 76 76 ALA N N 76 120.276 120.276 123.058 -2.782 19179 2028 1 5 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.993 0.198 19179 2029 1 5 . 1 1 76 76 ALA C C 76 181.968 181.968 179.765 2.203 19179 2030 1 5 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.197 0.284 19179 2031 1 5 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.197 0.198 19179 2032 1 5 . 1 1 76 76 ALA H H 76 7.839 7.839 7.977 -0.138 19179 2033 1 5 . 1 1 77 77 VAL N N 77 114.746 114.746 118.748 -4.002 19179 2034 1 5 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.708 0.310 19179 2035 1 5 . 1 1 77 77 VAL C C 77 178.133 178.133 177.355 0.778 19179 2036 1 5 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.854 -0.324 19179 2037 1 5 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.218 -0.275 19179 2038 1 5 . 1 1 77 77 VAL H H 77 8.662 8.662 7.890 0.772 19179 2039 1 5 . 1 1 78 78 CYS N N 78 119.096 119.096 118.621 0.475 19179 2040 1 5 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.911 0.080 19179 2041 1 5 . 1 1 78 78 CYS C C 78 177.621 177.621 176.453 1.168 19179 2042 1 5 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.531 1.245 19179 2043 1 5 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.441 -0.101 19179 2044 1 5 . 1 1 78 78 CYS H H 78 7.740 7.740 8.173 -0.433 19179 2045 1 5 . 1 1 79 79 GLU N N 79 118.797 118.797 118.928 -0.131 19179 2046 1 5 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.079 -0.043 19179 2047 1 5 . 1 1 79 79 GLU C C 79 179.135 179.135 178.998 0.137 19179 2048 1 5 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.732 0.168 19179 2049 1 5 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.481 0.229 19179 2050 1 5 . 1 1 79 79 GLU H H 79 8.106 8.106 8.109 -0.003 19179 2051 1 5 . 1 1 80 80 GLU N N 80 119.483 119.483 120.493 -1.010 19179 2052 1 5 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.144 -0.523 19179 2053 1 5 . 1 1 80 80 GLU C C 80 177.433 177.433 177.935 -0.502 19179 2054 1 5 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.564 0.147 19179 2055 1 5 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.596 1.062 19179 2056 1 5 . 1 1 80 80 GLU H H 80 8.167 8.167 8.293 -0.126 19179 2057 1 5 . 1 1 81 81 LEU N N 81 117.475 117.475 117.278 0.197 19179 2058 1 5 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.320 0.332 19179 2059 1 5 . 1 1 81 81 LEU C C 81 177.355 177.355 177.416 -0.061 19179 2060 1 5 . 1 1 81 81 LEU CA C 81 54.409 54.409 55.144 -0.735 19179 2061 1 5 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.331 -0.878 19179 2062 1 5 . 1 1 81 81 LEU H H 81 8.145 8.145 7.697 0.448 19179 2063 1 5 . 1 1 82 82 GLY N N 82 127.998 127.998 107.253 20.745 19179 2064 1 5 . 1 1 82 82 GLY C C 82 175.024 175.024 173.859 1.165 19179 2065 1 5 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.916 1.723 19179 2066 1 5 . 1 1 82 82 GLY H H 82 7.218 7.218 7.543 -0.325 19179 2067 1 5 . 1 1 83 83 ALA N N 83 126.068 126.068 121.532 4.536 19179 2068 1 5 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.650 -0.149 19179 2069 1 5 . 1 1 83 83 ALA C C 83 177.567 177.567 175.934 1.633 19179 2070 1 5 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.068 1.036 19179 2071 1 5 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.143 -0.569 19179 2072 1 5 . 1 1 83 83 ALA H H 83 8.202 8.202 7.638 0.564 19179 2073 1 5 . 1 1 84 84 GLU N N 84 118.661 118.661 122.156 -3.495 19179 2074 1 5 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.761 -0.509 19179 2075 1 5 . 1 1 84 84 GLU C C 84 175.915 175.915 175.741 0.174 19179 2076 1 5 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.817 2.854 19179 2077 1 5 . 1 1 84 84 GLU CB C 84 30.666 30.666 29.934 0.732 19179 2078 1 5 . 1 1 84 84 GLU H H 84 9.004 9.004 8.891 0.113 19179 2079 1 5 . 1 1 85 85 GLU N N 85 111.162 111.162 116.362 -5.200 19179 2080 1 5 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.092 -0.211 19179 2081 1 5 . 1 1 85 85 GLU C C 85 173.815 173.815 173.916 -0.101 19179 2082 1 5 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.689 -3.032 19179 2083 1 5 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.196 0.168 19179 2084 1 5 . 1 1 85 85 GLU H H 85 7.318 7.318 8.082 -0.764 19179 2085 1 5 . 1 1 86 86 CYS N N 86 122.106 122.106 122.551 -0.445 19179 2086 1 5 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.769 -0.691 19179 2087 1 5 . 1 1 86 86 CYS C C 86 177.088 177.088 176.088 1.000 19179 2088 1 5 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.199 2.271 19179 2089 1 5 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.750 4.691 19179 2090 1 5 . 1 1 86 86 CYS H H 86 8.035 8.035 8.538 -0.503 19179 2091 1 5 . 1 1 87 87 PHE N N 87 129.406 129.406 126.590 2.816 19179 2092 1 5 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.188 0.304 19179 2093 1 5 . 1 1 87 87 PHE C C 87 176.921 176.921 177.386 -0.465 19179 2094 1 5 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.036 -0.439 19179 2095 1 5 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.535 0.404 19179 2096 1 5 . 1 1 87 87 PHE H H 87 8.292 8.292 8.381 -0.089 19179 2097 1 5 . 1 1 88 88 SER N N 88 118.356 118.356 115.588 2.768 19179 2098 1 5 . 1 1 88 88 SER HA H 88 4.131 4.131 4.355 -0.224 19179 2099 1 5 . 1 1 88 88 SER C C 88 174.940 174.940 175.601 -0.661 19179 2100 1 5 . 1 1 88 88 SER CA C 88 60.832 60.832 61.267 -0.434 19179 2101 1 5 . 1 1 88 88 SER CB C 88 62.143 62.143 62.797 -0.654 19179 2102 1 5 . 1 1 88 88 SER H H 88 8.436 8.436 8.333 0.103 19179 2103 1 5 . 1 1 89 89 CYS N N 89 125.476 125.476 118.349 7.127 19179 2104 1 5 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.493 -0.380 19179 2105 1 5 . 1 1 89 89 CYS C C 89 174.660 174.660 176.143 -1.483 19179 2106 1 5 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.301 2.462 19179 2107 1 5 . 1 1 89 89 CYS CB C 89 30.435 30.435 27.236 3.199 19179 2108 1 5 . 1 1 89 89 CYS H H 89 7.699 7.699 7.974 -0.275 19179 2109 1 5 . 1 1 90 90 ASP N N 90 119.756 119.756 118.426 1.330 19179 2110 1 5 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.655 -0.138 19179 2111 1 5 . 1 1 90 90 ASP C C 90 175.429 175.429 175.662 -0.233 19179 2112 1 5 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.526 -0.484 19179 2113 1 5 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.515 0.492 19179 2114 1 5 . 1 1 90 90 ASP H H 90 7.569 7.569 8.126 -0.557 19179 2115 1 5 . 1 1 91 91 PHE N N 91 120.531 120.531 120.545 -0.014 19179 2116 1 5 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.499 0.130 19179 2117 1 5 . 1 1 91 91 PHE C C 91 174.893 174.893 174.513 0.380 19179 2118 1 5 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.780 -1.520 19179 2119 1 5 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.399 -0.854 19179 2120 1 5 . 1 1 91 91 PHE H H 91 7.910 7.910 7.406 0.504 19179 2121 1 6 . 1 1 17 17 GLU C C 17 178.498 178.498 176.116 2.382 19179 2122 1 6 . 1 1 18 18 ALA N N 18 117.689 117.689 124.624 -6.935 19179 2123 1 6 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.182 0.192 19179 2124 1 6 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.381 0.044 19179 2125 1 6 . 1 1 18 18 ALA H H 18 8.085 8.085 8.854 -0.769 19179 2126 1 6 . 1 1 19 19 VAL C C 19 177.450 177.450 177.098 0.352 19179 2127 1 6 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.080 0.732 19179 2128 1 6 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.542 -0.273 19179 2129 1 6 . 1 1 20 20 TYR N N 20 116.865 116.865 118.709 -1.844 19179 2130 1 6 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.307 -0.182 19179 2131 1 6 . 1 1 20 20 TYR C C 20 179.914 179.914 178.615 1.299 19179 2132 1 6 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.722 2.608 19179 2133 1 6 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.511 -0.329 19179 2134 1 6 . 1 1 20 20 TYR H H 20 8.138 8.138 8.386 -0.248 19179 2135 1 6 . 1 1 21 21 ILE N N 21 122.973 122.973 120.129 2.844 19179 2136 1 6 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.811 -0.153 19179 2137 1 6 . 1 1 21 21 ILE C C 21 176.306 176.306 176.921 -0.615 19179 2138 1 6 . 1 1 21 21 ILE CA C 21 66.099 66.099 61.971 4.128 19179 2139 1 6 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.932 -0.046 19179 2140 1 6 . 1 1 21 21 ILE H H 21 8.112 8.112 8.572 -0.460 19179 2141 1 6 . 1 1 22 22 ALA N N 22 122.302 122.302 121.419 0.883 19179 2142 1 6 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.154 -0.307 19179 2143 1 6 . 1 1 22 22 ALA C C 22 179.987 179.987 179.695 0.292 19179 2144 1 6 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.100 0.084 19179 2145 1 6 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.884 0.050 19179 2146 1 6 . 1 1 22 22 ALA H H 22 7.839 7.839 7.944 -0.105 19179 2147 1 6 . 1 1 23 23 ILE N N 23 119.408 119.408 113.291 6.117 19179 2148 1 6 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.978 0.392 19179 2149 1 6 . 1 1 23 23 ILE C C 23 180.184 180.184 176.664 3.520 19179 2150 1 6 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.732 -0.027 19179 2151 1 6 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.473 -0.131 19179 2152 1 6 . 1 1 23 23 ILE H H 23 8.328 8.328 8.324 0.004 19179 2153 1 6 . 1 1 24 24 GLU N N 24 125.684 125.684 120.077 5.607 19179 2154 1 6 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.383 -0.495 19179 2155 1 6 . 1 1 24 24 GLU C C 24 178.861 178.861 176.976 1.885 19179 2156 1 6 . 1 1 24 24 GLU CA C 24 52.588 52.588 55.637 -3.049 19179 2157 1 6 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.950 -0.864 19179 2158 1 6 . 1 1 24 24 GLU H H 24 8.344 8.344 7.972 0.372 19179 2159 1 6 . 1 1 25 25 ALA N N 25 117.589 117.589 120.862 -3.273 19179 2160 1 6 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.287 -0.095 19179 2161 1 6 . 1 1 25 25 ALA C C 25 177.866 177.866 177.479 0.387 19179 2162 1 6 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.913 -0.453 19179 2163 1 6 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.619 0.712 19179 2164 1 6 . 1 1 25 25 ALA H H 25 8.228 8.228 7.543 0.685 19179 2165 1 6 . 1 1 26 26 GLY N N 26 129.923 129.923 104.293 25.630 19179 2166 1 6 . 1 1 26 26 GLY C C 26 173.535 173.535 175.381 -1.846 19179 2167 1 6 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.062 -0.276 19179 2168 1 6 . 1 1 26 26 GLY H H 26 8.189 8.189 7.689 0.500 19179 2169 1 6 . 1 1 27 27 THR N N 27 119.446 119.446 119.094 0.352 19179 2170 1 6 . 1 1 27 27 THR HA H 27 4.445 4.445 4.039 0.406 19179 2171 1 6 . 1 1 27 27 THR C C 27 176.521 176.521 174.526 1.995 19179 2172 1 6 . 1 1 27 27 THR CA C 27 66.568 66.568 67.003 -0.435 19179 2173 1 6 . 1 1 27 27 THR CB C 27 51.731 51.731 69.469 -17.738 19179 2174 1 6 . 1 1 27 27 THR H H 27 7.919 7.919 8.153 -0.234 19179 2175 1 6 . 1 1 28 28 LEU N N 28 119.632 119.632 113.292 6.340 19179 2176 1 6 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.650 0.363 19179 2177 1 6 . 1 1 28 28 LEU C C 28 173.798 173.798 174.221 -0.423 19179 2178 1 6 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.204 -1.204 19179 2179 1 6 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.863 1.958 19179 2180 1 6 . 1 1 28 28 LEU H H 28 7.026 7.026 7.591 -0.565 19179 2181 1 6 . 1 1 29 29 ALA N N 29 121.053 121.053 120.355 0.698 19179 2182 1 6 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.520 -0.128 19179 2183 1 6 . 1 1 29 29 ALA C C 29 173.471 173.471 174.608 -1.137 19179 2184 1 6 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.466 0.217 19179 2185 1 6 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.639 1.331 19179 2186 1 6 . 1 1 29 29 ALA H H 29 8.856 8.856 7.931 0.925 19179 2187 1 6 . 1 1 30 30 GLU N N 30 119.234 119.234 117.724 1.510 19179 2188 1 6 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.313 0.486 19179 2189 1 6 . 1 1 30 30 GLU C C 30 176.292 176.292 174.772 1.520 19179 2190 1 6 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.110 -0.649 19179 2191 1 6 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.059 2.076 19179 2192 1 6 . 1 1 30 30 GLU H H 30 8.244 8.244 8.078 0.166 19179 2193 1 6 . 1 1 31 31 CYS N N 31 129.774 129.774 121.540 8.234 19179 2194 1 6 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.427 -0.115 19179 2195 1 6 . 1 1 31 31 CYS C C 31 175.519 175.519 174.842 0.677 19179 2196 1 6 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.162 1.382 19179 2197 1 6 . 1 1 31 31 CYS CB C 31 28.588 28.588 28.547 0.041 19179 2198 1 6 . 1 1 31 31 CYS H H 31 8.586 8.586 8.109 0.477 19179 2199 1 6 . 1 1 32 32 GLU N N 32 126.867 126.867 122.694 4.173 19179 2200 1 6 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.332 -0.243 19179 2201 1 6 . 1 1 32 32 GLU C C 32 177.061 177.061 176.518 0.543 19179 2202 1 6 . 1 1 32 32 GLU CA C 32 58.728 58.728 57.552 1.176 19179 2203 1 6 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.681 0.752 19179 2204 1 6 . 1 1 32 32 GLU H H 32 8.756 8.756 8.653 0.103 19179 2205 1 6 . 1 1 33 33 VAL N N 33 122.528 122.528 117.840 4.688 19179 2206 1 6 . 1 1 33 33 VAL HA H 33 3.818 3.818 3.925 -0.107 19179 2207 1 6 . 1 1 33 33 VAL C C 33 176.434 176.434 174.378 2.056 19179 2208 1 6 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.655 1.477 19179 2209 1 6 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.812 0.932 19179 2210 1 6 . 1 1 33 33 VAL H H 33 8.935 8.935 7.406 1.529 19179 2211 1 6 . 1 1 34 34 HIS N N 34 126.015 126.015 118.664 7.351 19179 2212 1 6 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.790 -0.215 19179 2213 1 6 . 1 1 34 34 HIS C C 34 173.077 173.077 174.202 -1.125 19179 2214 1 6 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.644 2.991 19179 2215 1 6 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.449 -0.660 19179 2216 1 6 . 1 1 34 34 HIS H H 34 8.834 8.834 7.432 1.402 19179 2217 1 6 . 1 1 35 35 GLU N N 35 122.059 122.059 125.782 -3.723 19179 2218 1 6 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.131 -0.034 19179 2219 1 6 . 1 1 35 35 GLU C C 35 178.839 178.839 177.566 1.273 19179 2220 1 6 . 1 1 35 35 GLU CA C 35 58.068 58.068 58.206 -0.139 19179 2221 1 6 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.774 -0.041 19179 2222 1 6 . 1 1 35 35 GLU H H 35 7.643 7.643 8.643 -1.000 19179 2223 1 6 . 1 1 36 36 GLY N N 36 114.969 114.969 113.544 1.425 19179 2224 1 6 . 1 1 36 36 GLY C C 36 173.165 173.165 174.768 -1.603 19179 2225 1 6 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.003 -0.017 19179 2226 1 6 . 1 1 36 36 GLY H H 36 10.615 10.615 8.960 1.655 19179 2227 1 6 . 1 1 37 37 THR N N 37 116.476 116.476 120.249 -3.773 19179 2228 1 6 . 1 1 37 37 THR HA H 37 4.466 4.466 4.670 -0.204 19179 2229 1 6 . 1 1 37 37 THR C C 37 172.121 172.121 173.200 -1.079 19179 2230 1 6 . 1 1 37 37 THR CA C 37 62.490 62.490 62.575 -0.085 19179 2231 1 6 . 1 1 37 37 THR CB C 37 68.752 68.752 68.560 0.192 19179 2232 1 6 . 1 1 37 37 THR H H 37 7.669 7.669 7.742 -0.073 19179 2233 1 6 . 1 1 38 38 TYR N N 38 124.951 124.951 124.789 0.162 19179 2234 1 6 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.717 0.918 19179 2235 1 6 . 1 1 38 38 TYR C C 38 174.538 174.538 174.061 0.477 19179 2236 1 6 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.329 -1.328 19179 2237 1 6 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.509 -0.898 19179 2238 1 6 . 1 1 38 38 TYR H H 38 8.622 8.622 8.627 -0.005 19179 2239 1 6 . 1 1 39 39 PHE N N 39 115.194 115.194 114.882 0.312 19179 2240 1 6 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.057 0.027 19179 2241 1 6 . 1 1 39 39 PHE C C 39 173.379 173.379 173.111 0.268 19179 2242 1 6 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.630 -1.692 19179 2243 1 6 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.548 -1.328 19179 2244 1 6 . 1 1 39 39 PHE H H 39 8.483 8.483 8.604 -0.121 19179 2245 1 6 . 1 1 40 40 SER N N 40 114.429 114.429 118.816 -4.387 19179 2246 1 6 . 1 1 40 40 SER HA H 40 4.341 4.341 4.502 -0.161 19179 2247 1 6 . 1 1 40 40 SER C C 40 173.355 173.355 174.772 -1.417 19179 2248 1 6 . 1 1 40 40 SER CA C 40 60.726 60.726 57.022 3.704 19179 2249 1 6 . 1 1 40 40 SER CB C 40 63.544 63.544 64.672 -1.129 19179 2250 1 6 . 1 1 40 40 SER H H 40 9.519 9.519 8.628 0.891 19179 2251 1 6 . 1 1 41 41 ASP N N 41 125.551 125.551 123.386 2.165 19179 2252 1 6 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.457 0.456 19179 2253 1 6 . 1 1 41 41 ASP C C 41 176.230 176.230 176.156 0.074 19179 2254 1 6 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.779 -2.040 19179 2255 1 6 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.330 -1.605 19179 2256 1 6 . 1 1 41 41 ASP H H 41 8.431 8.431 8.160 0.271 19179 2257 1 6 . 1 1 42 42 SER N N 42 114.674 114.674 119.884 -5.210 19179 2258 1 6 . 1 1 42 42 SER HA H 42 4.370 4.370 4.521 -0.151 19179 2259 1 6 . 1 1 42 42 SER C C 42 177.229 177.229 176.057 1.172 19179 2260 1 6 . 1 1 42 42 SER CA C 42 59.770 59.770 59.566 0.204 19179 2261 1 6 . 1 1 42 42 SER CB C 42 62.951 62.951 63.585 -0.634 19179 2262 1 6 . 1 1 42 42 SER H H 42 9.001 9.001 8.008 0.993 19179 2263 1 6 . 1 1 43 43 GLY N N 43 130.573 130.573 117.000 13.573 19179 2264 1 6 . 1 1 43 43 GLY C C 43 172.823 172.823 173.989 -1.166 19179 2265 1 6 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.946 0.883 19179 2266 1 6 . 1 1 43 43 GLY H H 43 8.261 8.261 9.051 -0.790 19179 2267 1 6 . 1 1 44 44 ASP N N 44 120.029 120.029 121.003 -0.974 19179 2268 1 6 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.948 -0.207 19179 2269 1 6 . 1 1 44 44 ASP C C 44 176.327 176.327 175.335 0.992 19179 2270 1 6 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.270 0.039 19179 2271 1 6 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.248 -1.181 19179 2272 1 6 . 1 1 44 44 ASP H H 44 8.583 8.583 7.838 0.745 19179 2273 1 6 . 1 1 45 45 ILE N N 45 129.584 129.584 121.802 7.782 19179 2274 1 6 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.897 -0.206 19179 2275 1 6 . 1 1 45 45 ILE C C 45 177.352 177.352 178.054 -0.702 19179 2276 1 6 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.200 1.767 19179 2277 1 6 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.441 -0.628 19179 2278 1 6 . 1 1 45 45 ILE H H 45 8.589 8.589 8.405 0.184 19179 2279 1 6 . 1 1 46 46 SER N N 46 117.808 117.808 115.274 2.534 19179 2280 1 6 . 1 1 46 46 SER HA H 46 4.338 4.338 4.165 0.173 19179 2281 1 6 . 1 1 46 46 SER C C 46 177.116 177.116 176.195 0.921 19179 2282 1 6 . 1 1 46 46 SER CA C 46 61.744 61.744 61.035 0.709 19179 2283 1 6 . 1 1 46 46 SER CB C 46 62.502 62.502 62.343 0.159 19179 2284 1 6 . 1 1 46 46 SER H H 46 8.275 8.275 8.492 -0.217 19179 2285 1 6 . 1 1 47 47 GLU N N 47 121.839 121.839 123.723 -1.884 19179 2286 1 6 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.105 -0.063 19179 2287 1 6 . 1 1 47 47 GLU C C 47 178.981 178.981 177.689 1.292 19179 2288 1 6 . 1 1 47 47 GLU CA C 47 59.418 59.418 58.762 0.656 19179 2289 1 6 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.166 0.092 19179 2290 1 6 . 1 1 47 47 GLU H H 47 7.372 7.372 8.010 -0.638 19179 2291 1 6 . 1 1 48 48 ALA N N 48 122.935 122.935 121.714 1.221 19179 2292 1 6 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.104 -0.243 19179 2293 1 6 . 1 1 48 48 ALA C C 48 178.641 178.641 179.580 -0.939 19179 2294 1 6 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.380 -0.055 19179 2295 1 6 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.492 -1.100 19179 2296 1 6 . 1 1 48 48 ALA H H 48 6.925 6.925 7.671 -0.746 19179 2297 1 6 . 1 1 49 49 GLU N N 49 118.249 118.249 119.136 -0.887 19179 2298 1 6 . 1 1 49 49 GLU HA H 49 3.613 3.613 3.990 -0.377 19179 2299 1 6 . 1 1 49 49 GLU C C 49 177.879 177.879 178.724 -0.845 19179 2300 1 6 . 1 1 49 49 GLU CA C 49 60.322 60.322 58.861 1.461 19179 2301 1 6 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.875 -0.007 19179 2302 1 6 . 1 1 49 49 GLU H H 49 8.288 8.288 7.925 0.363 19179 2303 1 6 . 1 1 50 50 GLU N N 50 117.450 117.450 121.223 -3.773 19179 2304 1 6 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.059 -0.137 19179 2305 1 6 . 1 1 50 50 GLU C C 50 179.532 179.532 178.986 0.546 19179 2306 1 6 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.256 0.497 19179 2307 1 6 . 1 1 50 50 GLU CB C 50 29.028 29.028 30.014 -0.986 19179 2308 1 6 . 1 1 50 50 GLU H H 50 8.108 8.108 8.138 -0.030 19179 2309 1 6 . 1 1 51 51 LEU N N 51 120.169 120.169 119.575 0.594 19179 2310 1 6 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.171 0.136 19179 2311 1 6 . 1 1 51 51 LEU C C 51 178.285 178.285 178.661 -0.376 19179 2312 1 6 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.057 -0.619 19179 2313 1 6 . 1 1 51 51 LEU CB C 51 40.766 40.766 40.919 -0.152 19179 2314 1 6 . 1 1 51 51 LEU H H 51 7.835 7.835 8.542 -0.707 19179 2315 1 6 . 1 1 52 52 ALA N N 52 121.167 121.167 123.121 -1.954 19179 2316 1 6 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.124 -0.329 19179 2317 1 6 . 1 1 52 52 ALA C C 52 178.611 178.611 179.723 -1.112 19179 2318 1 6 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.875 0.772 19179 2319 1 6 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.505 -0.329 19179 2320 1 6 . 1 1 52 52 ALA H H 52 8.286 8.286 8.179 0.107 19179 2321 1 6 . 1 1 53 53 ARG N N 53 115.092 115.092 119.164 -4.072 19179 2322 1 6 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.037 -0.310 19179 2323 1 6 . 1 1 53 53 ARG C C 53 179.136 179.136 178.344 0.792 19179 2324 1 6 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.313 1.294 19179 2325 1 6 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.098 -0.578 19179 2326 1 6 . 1 1 53 53 ARG H H 53 7.957 7.957 8.232 -0.275 19179 2327 1 6 . 1 1 54 54 GLU N N 54 122.263 122.263 120.172 2.091 19179 2328 1 6 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.166 -0.102 19179 2329 1 6 . 1 1 54 54 GLU C C 54 179.159 179.159 178.965 0.194 19179 2330 1 6 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.169 0.249 19179 2331 1 6 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.300 0.588 19179 2332 1 6 . 1 1 54 54 GLU H H 54 8.089 8.089 8.032 0.057 19179 2333 1 6 . 1 1 55 55 LYS N N 55 118.511 118.511 118.606 -0.095 19179 2334 1 6 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.036 -0.226 19179 2335 1 6 . 1 1 55 55 LYS C C 55 179.078 179.078 179.750 -0.672 19179 2336 1 6 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.131 0.679 19179 2337 1 6 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.254 0.489 19179 2338 1 6 . 1 1 55 55 LYS H H 55 9.118 9.118 8.300 0.818 19179 2339 1 6 . 1 1 56 56 PHE N N 56 119.918 119.918 120.716 -0.798 19179 2340 1 6 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.229 -0.367 19179 2341 1 6 . 1 1 56 56 PHE H H 56 8.456 8.456 8.487 -0.031 19179 2342 1 6 . 1 1 57 57 GLU N N 57 121.819 121.819 116.695 5.124 19179 2343 1 6 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.228 -0.100 19179 2344 1 6 . 1 1 57 57 GLU C C 57 177.889 177.889 177.487 0.402 19179 2345 1 6 . 1 1 57 57 GLU CA C 57 59.238 59.238 57.055 2.183 19179 2346 1 6 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.246 0.237 19179 2347 1 6 . 1 1 57 57 GLU H H 57 8.153 8.153 8.148 0.005 19179 2348 1 6 . 1 1 58 58 LYS N N 58 115.784 115.784 119.212 -3.428 19179 2349 1 6 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.213 0.054 19179 2350 1 6 . 1 1 58 58 LYS C C 58 176.710 176.710 176.746 -0.036 19179 2351 1 6 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.270 1.472 19179 2352 1 6 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.553 0.474 19179 2353 1 6 . 1 1 58 58 LYS H H 58 7.684 7.684 7.603 0.081 19179 2354 1 6 . 1 1 59 59 GLY N N 59 130.075 130.075 106.864 23.211 19179 2355 1 6 . 1 1 59 59 GLY C C 59 175.969 175.969 173.197 2.772 19179 2356 1 6 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.849 1.481 19179 2357 1 6 . 1 1 59 59 GLY H H 59 7.644 7.644 7.300 0.344 19179 2358 1 6 . 1 1 60 60 GLU N N 60 117.714 117.714 120.943 -3.229 19179 2359 1 6 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.273 0.066 19179 2360 1 6 . 1 1 60 60 GLU C C 60 175.359 175.359 175.921 -0.562 19179 2361 1 6 . 1 1 60 60 GLU CA C 60 55.533 55.533 53.295 2.238 19179 2362 1 6 . 1 1 60 60 GLU CB C 60 30.356 30.356 31.609 -1.253 19179 2363 1 6 . 1 1 60 60 GLU H H 60 8.008 8.008 7.734 0.274 19179 2364 1 6 . 1 1 61 61 VAL N N 61 120.144 120.144 121.993 -1.849 19179 2365 1 6 . 1 1 61 61 VAL HA H 61 4.522 4.522 3.824 0.698 19179 2366 1 6 . 1 1 61 61 VAL C C 61 176.175 176.175 175.258 0.917 19179 2367 1 6 . 1 1 61 61 VAL CA C 61 61.267 61.267 63.584 -2.317 19179 2368 1 6 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.370 1.316 19179 2369 1 6 . 1 1 61 61 VAL H H 61 7.745 7.745 7.812 -0.067 19179 2370 1 6 . 1 1 62 62 SER N N 62 126.283 126.283 121.469 4.814 19179 2371 1 6 . 1 1 62 62 SER HA H 62 4.644 4.644 4.840 -0.196 19179 2372 1 6 . 1 1 62 62 SER C C 62 176.781 176.781 174.410 2.371 19179 2373 1 6 . 1 1 62 62 SER CA C 62 60.796 60.796 57.995 2.801 19179 2374 1 6 . 1 1 62 62 SER CB C 62 65.061 65.061 63.574 1.487 19179 2375 1 6 . 1 1 62 62 SER H H 62 11.396 11.396 8.457 2.939 19179 2376 1 6 . 1 1 63 63 ASN N N 63 118.526 118.526 118.806 -0.280 19179 2377 1 6 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.842 -0.110 19179 2378 1 6 . 1 1 63 63 ASN C C 63 172.632 172.632 175.041 -2.409 19179 2379 1 6 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.534 1.052 19179 2380 1 6 . 1 1 63 63 ASN CB C 63 39.772 39.772 39.405 0.367 19179 2381 1 6 . 1 1 63 63 ASN H H 63 10.333 10.333 8.397 1.936 19179 2382 1 6 . 1 1 64 64 PHE N N 64 112.992 112.992 120.721 -7.729 19179 2383 1 6 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.593 0.273 19179 2384 1 6 . 1 1 64 64 PHE C C 64 174.310 174.310 175.848 -1.538 19179 2385 1 6 . 1 1 64 64 PHE CA C 64 56.626 56.626 56.482 0.144 19179 2386 1 6 . 1 1 64 64 PHE CB C 64 42.883 42.883 39.650 3.233 19179 2387 1 6 . 1 1 64 64 PHE H H 64 6.971 6.971 7.906 -0.935 19179 2388 1 6 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.413 0.475 19179 2389 1 6 . 1 1 65 65 ASP C C 65 175.049 175.049 175.639 -0.590 19179 2390 1 6 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.782 -1.135 19179 2391 1 6 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.240 0.126 19179 2392 1 6 . 1 1 66 66 ASP N N 66 119.568 119.568 118.313 1.255 19179 2393 1 6 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.493 0.368 19179 2394 1 6 . 1 1 66 66 ASP C C 66 175.858 175.858 177.729 -1.871 19179 2395 1 6 . 1 1 66 66 ASP CA C 66 52.663 52.663 54.783 -2.120 19179 2396 1 6 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.987 2.274 19179 2397 1 6 . 1 1 66 66 ASP H H 66 7.413 7.413 8.279 -0.866 19179 2398 1 6 . 1 1 67 67 VAL N N 67 127.826 127.826 123.849 3.977 19179 2399 1 6 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.618 -0.636 19179 2400 1 6 . 1 1 67 67 VAL C C 67 175.173 175.173 176.673 -1.500 19179 2401 1 6 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.659 -1.448 19179 2402 1 6 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.151 -1.302 19179 2403 1 6 . 1 1 67 67 VAL H H 67 8.298 8.298 8.525 -0.227 19179 2404 1 6 . 1 1 68 68 GLU N N 68 120.580 120.580 119.036 1.544 19179 2405 1 6 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.973 0.076 19179 2406 1 6 . 1 1 68 68 GLU C C 68 180.052 180.052 178.746 1.306 19179 2407 1 6 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.721 -1.863 19179 2408 1 6 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.291 -1.887 19179 2409 1 6 . 1 1 68 68 GLU H H 68 7.909 7.909 8.006 -0.097 19179 2410 1 6 . 1 1 69 69 GLU N N 69 121.347 121.347 120.691 0.656 19179 2411 1 6 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.111 -0.179 19179 2412 1 6 . 1 1 69 69 GLU C C 69 179.095 179.095 178.498 0.597 19179 2413 1 6 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.660 0.327 19179 2414 1 6 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.255 0.265 19179 2415 1 6 . 1 1 69 69 GLU H H 69 7.669 7.669 7.545 0.124 19179 2416 1 6 . 1 1 70 70 LEU N N 70 120.330 120.330 121.117 -0.787 19179 2417 1 6 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.052 -1.107 19179 2418 1 6 . 1 1 70 70 LEU C C 70 177.014 177.014 178.508 -1.494 19179 2419 1 6 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.002 -0.523 19179 2420 1 6 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.883 -1.639 19179 2421 1 6 . 1 1 70 70 LEU H H 70 7.184 7.184 7.960 -0.776 19179 2422 1 6 . 1 1 71 71 VAL N N 71 118.625 118.625 115.364 3.261 19179 2423 1 6 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.418 -0.348 19179 2424 1 6 . 1 1 71 71 VAL C C 71 177.049 177.049 177.414 -0.365 19179 2425 1 6 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.625 1.263 19179 2426 1 6 . 1 1 71 71 VAL CB C 71 31.395 31.395 31.341 0.054 19179 2427 1 6 . 1 1 71 71 VAL H H 71 8.262 8.262 8.409 -0.147 19179 2428 1 6 . 1 1 72 72 LYS N N 72 116.770 116.770 118.583 -1.813 19179 2429 1 6 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.027 -0.190 19179 2430 1 6 . 1 1 72 72 LYS C C 72 179.439 179.439 178.563 0.876 19179 2431 1 6 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.154 0.800 19179 2432 1 6 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.951 0.668 19179 2433 1 6 . 1 1 72 72 LYS H H 72 7.791 7.791 8.077 -0.286 19179 2434 1 6 . 1 1 73 73 LYS N N 73 121.221 121.221 120.025 1.196 19179 2435 1 6 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.078 0.138 19179 2436 1 6 . 1 1 73 73 LYS C C 73 177.539 177.539 178.671 -1.132 19179 2437 1 6 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.388 -2.064 19179 2438 1 6 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.283 -0.378 19179 2439 1 6 . 1 1 73 73 LYS H H 73 7.796 7.796 7.487 0.309 19179 2440 1 6 . 1 1 74 74 VAL N N 74 119.691 119.691 120.819 -1.128 19179 2441 1 6 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.804 -0.389 19179 2442 1 6 . 1 1 74 74 VAL C C 74 177.638 177.638 178.019 -0.381 19179 2443 1 6 . 1 1 74 74 VAL CA C 74 66.863 66.863 65.713 1.149 19179 2444 1 6 . 1 1 74 74 VAL H H 74 8.445 8.445 8.295 0.150 19179 2445 1 6 . 1 1 75 75 VAL N N 75 120.095 120.095 120.606 -0.511 19179 2446 1 6 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.707 -0.355 19179 2447 1 6 . 1 1 75 75 VAL C C 75 177.621 177.621 177.094 0.527 19179 2448 1 6 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.100 2.659 19179 2449 1 6 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.278 -2.122 19179 2450 1 6 . 1 1 75 75 VAL H H 75 8.521 8.521 8.144 0.377 19179 2451 1 6 . 1 1 76 76 ALA N N 76 120.276 120.276 123.011 -2.735 19179 2452 1 6 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.027 0.164 19179 2453 1 6 . 1 1 76 76 ALA C C 76 181.968 181.968 179.852 2.116 19179 2454 1 6 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.175 0.306 19179 2455 1 6 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.219 0.176 19179 2456 1 6 . 1 1 76 76 ALA H H 76 7.839 7.839 7.874 -0.035 19179 2457 1 6 . 1 1 77 77 VAL N N 77 114.746 114.746 118.742 -3.996 19179 2458 1 6 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.676 0.342 19179 2459 1 6 . 1 1 77 77 VAL C C 77 178.133 178.133 177.404 0.729 19179 2460 1 6 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.581 -1.051 19179 2461 1 6 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.567 -0.624 19179 2462 1 6 . 1 1 77 77 VAL H H 77 8.662 8.662 7.994 0.668 19179 2463 1 6 . 1 1 78 78 CYS N N 78 119.096 119.096 117.760 1.336 19179 2464 1 6 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.913 0.078 19179 2465 1 6 . 1 1 78 78 CYS C C 78 177.621 177.621 176.730 0.891 19179 2466 1 6 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.868 1.908 19179 2467 1 6 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.239 0.101 19179 2468 1 6 . 1 1 78 78 CYS H H 78 7.740 7.740 7.981 -0.241 19179 2469 1 6 . 1 1 79 79 GLU N N 79 118.797 118.797 120.032 -1.235 19179 2470 1 6 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.119 -0.083 19179 2471 1 6 . 1 1 79 79 GLU C C 79 179.135 179.135 179.332 -0.197 19179 2472 1 6 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.604 0.296 19179 2473 1 6 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.707 0.003 19179 2474 1 6 . 1 1 79 79 GLU H H 79 8.106 8.106 8.059 0.047 19179 2475 1 6 . 1 1 80 80 GLU N N 80 119.483 119.483 120.325 -0.842 19179 2476 1 6 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.117 -0.496 19179 2477 1 6 . 1 1 80 80 GLU C C 80 177.433 177.433 178.207 -0.774 19179 2478 1 6 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.678 0.033 19179 2479 1 6 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.637 1.020 19179 2480 1 6 . 1 1 80 80 GLU H H 80 8.167 8.167 8.353 -0.186 19179 2481 1 6 . 1 1 81 81 LEU N N 81 117.475 117.475 116.900 0.575 19179 2482 1 6 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.304 0.348 19179 2483 1 6 . 1 1 81 81 LEU C C 81 177.355 177.355 177.300 0.055 19179 2484 1 6 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.951 -0.542 19179 2485 1 6 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.286 -0.834 19179 2486 1 6 . 1 1 81 81 LEU H H 81 8.145 8.145 7.658 0.487 19179 2487 1 6 . 1 1 82 82 GLY N N 82 127.998 127.998 107.626 20.372 19179 2488 1 6 . 1 1 82 82 GLY C C 82 175.024 175.024 173.750 1.274 19179 2489 1 6 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.701 1.938 19179 2490 1 6 . 1 1 82 82 GLY H H 82 7.218 7.218 7.566 -0.348 19179 2491 1 6 . 1 1 83 83 ALA N N 83 126.068 126.068 121.800 4.268 19179 2492 1 6 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.710 -0.209 19179 2493 1 6 . 1 1 83 83 ALA C C 83 177.567 177.567 175.652 1.915 19179 2494 1 6 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.581 0.523 19179 2495 1 6 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.748 -1.174 19179 2496 1 6 . 1 1 83 83 ALA H H 83 8.202 8.202 7.568 0.634 19179 2497 1 6 . 1 1 84 84 GLU N N 84 118.661 118.661 122.490 -3.829 19179 2498 1 6 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.643 -0.391 19179 2499 1 6 . 1 1 84 84 GLU C C 84 175.915 175.915 175.444 0.471 19179 2500 1 6 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.296 2.375 19179 2501 1 6 . 1 1 84 84 GLU CB C 84 30.666 30.666 30.987 -0.321 19179 2502 1 6 . 1 1 84 84 GLU H H 84 9.004 9.004 8.991 0.013 19179 2503 1 6 . 1 1 85 85 GLU N N 85 111.162 111.162 118.141 -6.979 19179 2504 1 6 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.307 -0.426 19179 2505 1 6 . 1 1 85 85 GLU C C 85 173.815 173.815 174.109 -0.294 19179 2506 1 6 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.752 -3.095 19179 2507 1 6 . 1 1 85 85 GLU CB C 85 32.364 32.364 31.353 1.011 19179 2508 1 6 . 1 1 85 85 GLU H H 85 7.318 7.318 8.439 -1.121 19179 2509 1 6 . 1 1 86 86 CYS N N 86 122.106 122.106 120.763 1.343 19179 2510 1 6 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.924 -0.846 19179 2511 1 6 . 1 1 86 86 CYS C C 86 177.088 177.088 175.873 1.215 19179 2512 1 6 . 1 1 86 86 CYS CA C 86 59.470 59.470 56.678 2.792 19179 2513 1 6 . 1 1 86 86 CYS CB C 86 29.441 29.441 26.847 2.594 19179 2514 1 6 . 1 1 86 86 CYS H H 86 8.035 8.035 8.509 -0.474 19179 2515 1 6 . 1 1 87 87 PHE N N 87 129.406 129.406 121.596 7.810 19179 2516 1 6 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.674 -0.182 19179 2517 1 6 . 1 1 87 87 PHE C C 87 176.921 176.921 176.224 0.697 19179 2518 1 6 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.246 0.351 19179 2519 1 6 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.212 0.727 19179 2520 1 6 . 1 1 87 87 PHE H H 87 8.292 8.292 8.783 -0.491 19179 2521 1 6 . 1 1 88 88 SER N N 88 118.356 118.356 116.657 1.699 19179 2522 1 6 . 1 1 88 88 SER HA H 88 4.131 4.131 3.862 0.269 19179 2523 1 6 . 1 1 88 88 SER C C 88 174.940 174.940 176.578 -1.638 19179 2524 1 6 . 1 1 88 88 SER CA C 88 60.832 60.832 61.571 -0.739 19179 2525 1 6 . 1 1 88 88 SER CB C 88 62.143 62.143 61.199 0.944 19179 2526 1 6 . 1 1 88 88 SER H H 88 8.436 8.436 7.562 0.874 19179 2527 1 6 . 1 1 89 89 CYS N N 89 125.476 125.476 116.783 8.693 19179 2528 1 6 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.314 -0.201 19179 2529 1 6 . 1 1 89 89 CYS C C 89 174.660 174.660 175.348 -0.688 19179 2530 1 6 . 1 1 89 89 CYS CA C 89 63.763 63.763 60.703 3.060 19179 2531 1 6 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.200 4.235 19179 2532 1 6 . 1 1 89 89 CYS H H 89 7.699 7.699 7.735 -0.036 19179 2533 1 6 . 1 1 90 90 ASP N N 90 119.756 119.756 117.302 2.454 19179 2534 1 6 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.793 -0.276 19179 2535 1 6 . 1 1 90 90 ASP C C 90 175.429 175.429 175.639 -0.210 19179 2536 1 6 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.026 0.015 19179 2537 1 6 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.624 0.383 19179 2538 1 6 . 1 1 90 90 ASP H H 90 7.569 7.569 7.959 -0.390 19179 2539 1 6 . 1 1 91 91 PHE N N 91 120.531 120.531 122.634 -2.103 19179 2540 1 6 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.384 0.245 19179 2541 1 6 . 1 1 91 91 PHE C C 91 174.893 174.893 174.960 -0.067 19179 2542 1 6 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.002 -0.742 19179 2543 1 6 . 1 1 91 91 PHE CB C 91 39.545 39.545 39.920 -0.375 19179 2544 1 6 . 1 1 91 91 PHE H H 91 7.910 7.910 7.754 0.156 19179 2545 1 7 . 1 1 17 17 GLU C C 17 178.498 178.498 176.933 1.565 19179 2546 1 7 . 1 1 18 18 ALA N N 18 117.689 117.689 123.397 -5.708 19179 2547 1 7 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.168 0.206 19179 2548 1 7 . 1 1 18 18 ALA CB C 18 18.425 18.425 17.802 0.622 19179 2549 1 7 . 1 1 18 18 ALA H H 18 8.085 8.085 8.332 -0.247 19179 2550 1 7 . 1 1 19 19 VAL C C 19 177.450 177.450 177.356 0.094 19179 2551 1 7 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.820 0.992 19179 2552 1 7 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.392 -0.123 19179 2553 1 7 . 1 1 20 20 TYR N N 20 116.865 116.865 118.066 -1.201 19179 2554 1 7 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.227 -0.102 19179 2555 1 7 . 1 1 20 20 TYR C C 20 179.914 179.914 178.442 1.472 19179 2556 1 7 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.307 2.023 19179 2557 1 7 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.555 -0.373 19179 2558 1 7 . 1 1 20 20 TYR H H 20 8.138 8.138 8.271 -0.133 19179 2559 1 7 . 1 1 21 21 ILE N N 21 122.973 122.973 120.340 2.633 19179 2560 1 7 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.713 -0.055 19179 2561 1 7 . 1 1 21 21 ILE C C 21 176.306 176.306 177.699 -1.393 19179 2562 1 7 . 1 1 21 21 ILE CA C 21 66.099 66.099 62.813 3.286 19179 2563 1 7 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.110 0.776 19179 2564 1 7 . 1 1 21 21 ILE H H 21 8.112 8.112 8.301 -0.189 19179 2565 1 7 . 1 1 22 22 ALA N N 22 122.302 122.302 122.427 -0.125 19179 2566 1 7 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.034 -0.187 19179 2567 1 7 . 1 1 22 22 ALA C C 22 179.987 179.987 179.690 0.297 19179 2568 1 7 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.244 -0.060 19179 2569 1 7 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.508 0.426 19179 2570 1 7 . 1 1 22 22 ALA H H 22 7.839 7.839 7.963 -0.124 19179 2571 1 7 . 1 1 23 23 ILE N N 23 119.408 119.408 113.245 6.163 19179 2572 1 7 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.871 0.499 19179 2573 1 7 . 1 1 23 23 ILE C C 23 180.184 180.184 177.248 2.936 19179 2574 1 7 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.004 -0.299 19179 2575 1 7 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.375 -0.033 19179 2576 1 7 . 1 1 23 23 ILE H H 23 8.328 8.328 8.022 0.306 19179 2577 1 7 . 1 1 24 24 GLU N N 24 125.684 125.684 122.166 3.518 19179 2578 1 7 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.086 -0.198 19179 2579 1 7 . 1 1 24 24 GLU C C 24 178.861 178.861 177.878 0.983 19179 2580 1 7 . 1 1 24 24 GLU CA C 24 52.588 52.588 58.126 -5.538 19179 2581 1 7 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.341 -0.255 19179 2582 1 7 . 1 1 24 24 GLU H H 24 8.344 8.344 8.032 0.312 19179 2583 1 7 . 1 1 25 25 ALA N N 25 117.589 117.589 120.105 -2.516 19179 2584 1 7 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.162 0.030 19179 2585 1 7 . 1 1 25 25 ALA C C 25 177.866 177.866 177.264 0.602 19179 2586 1 7 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.926 -0.466 19179 2587 1 7 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.211 0.120 19179 2588 1 7 . 1 1 25 25 ALA H H 25 8.228 8.228 7.800 0.428 19179 2589 1 7 . 1 1 26 26 GLY N N 26 129.923 129.923 103.384 26.539 19179 2590 1 7 . 1 1 26 26 GLY C C 26 173.535 173.535 174.881 -1.346 19179 2591 1 7 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.658 0.128 19179 2592 1 7 . 1 1 26 26 GLY H H 26 8.189 8.189 7.383 0.806 19179 2593 1 7 . 1 1 27 27 THR N N 27 119.446 119.446 114.925 4.521 19179 2594 1 7 . 1 1 27 27 THR HA H 27 4.445 4.445 4.438 0.007 19179 2595 1 7 . 1 1 27 27 THR C C 27 176.521 176.521 173.748 2.773 19179 2596 1 7 . 1 1 27 27 THR CA C 27 66.568 66.568 64.021 2.547 19179 2597 1 7 . 1 1 27 27 THR CB C 27 51.731 51.731 70.262 -18.531 19179 2598 1 7 . 1 1 27 27 THR H H 27 7.919 7.919 8.416 -0.497 19179 2599 1 7 . 1 1 28 28 LEU N N 28 119.632 119.632 119.503 0.129 19179 2600 1 7 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.310 0.703 19179 2601 1 7 . 1 1 28 28 LEU C C 28 173.798 173.798 174.046 -0.248 19179 2602 1 7 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.698 -1.698 19179 2603 1 7 . 1 1 28 28 LEU CB C 28 46.821 46.821 45.920 0.901 19179 2604 1 7 . 1 1 28 28 LEU H H 28 7.026 7.026 7.378 -0.352 19179 2605 1 7 . 1 1 29 29 ALA N N 29 121.053 121.053 122.104 -1.051 19179 2606 1 7 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.554 -0.162 19179 2607 1 7 . 1 1 29 29 ALA C C 29 173.471 173.471 174.297 -0.826 19179 2608 1 7 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.948 0.735 19179 2609 1 7 . 1 1 29 29 ALA CB C 29 22.970 22.970 20.510 2.460 19179 2610 1 7 . 1 1 29 29 ALA H H 29 8.856 8.856 7.879 0.977 19179 2611 1 7 . 1 1 30 30 GLU N N 30 119.234 119.234 119.715 -0.481 19179 2612 1 7 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.333 0.466 19179 2613 1 7 . 1 1 30 30 GLU C C 30 176.292 176.292 174.345 1.947 19179 2614 1 7 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.059 -0.598 19179 2615 1 7 . 1 1 30 30 GLU CB C 30 33.135 33.135 30.657 2.478 19179 2616 1 7 . 1 1 30 30 GLU H H 30 8.244 8.244 7.954 0.290 19179 2617 1 7 . 1 1 31 31 CYS N N 31 129.774 129.774 121.828 7.946 19179 2618 1 7 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.423 -0.111 19179 2619 1 7 . 1 1 31 31 CYS C C 31 175.519 175.519 175.269 0.250 19179 2620 1 7 . 1 1 31 31 CYS CA C 31 61.544 61.544 58.987 2.557 19179 2621 1 7 . 1 1 31 31 CYS CB C 31 28.588 28.588 28.221 0.367 19179 2622 1 7 . 1 1 31 31 CYS H H 31 8.586 8.586 8.449 0.137 19179 2623 1 7 . 1 1 32 32 GLU N N 32 126.867 126.867 124.348 2.519 19179 2624 1 7 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.189 -0.100 19179 2625 1 7 . 1 1 32 32 GLU C C 32 177.061 177.061 175.534 1.527 19179 2626 1 7 . 1 1 32 32 GLU CA C 32 58.728 58.728 57.720 1.008 19179 2627 1 7 . 1 1 32 32 GLU CB C 32 30.433 30.433 28.973 1.460 19179 2628 1 7 . 1 1 32 32 GLU H H 32 8.756 8.756 8.672 0.084 19179 2629 1 7 . 1 1 33 33 VAL N N 33 122.528 122.528 119.522 3.006 19179 2630 1 7 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.033 -0.215 19179 2631 1 7 . 1 1 33 33 VAL C C 33 176.434 176.434 174.635 1.799 19179 2632 1 7 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.867 1.265 19179 2633 1 7 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.623 1.121 19179 2634 1 7 . 1 1 33 33 VAL H H 33 8.935 8.935 7.416 1.519 19179 2635 1 7 . 1 1 34 34 HIS N N 34 126.015 126.015 117.812 8.203 19179 2636 1 7 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.831 -0.256 19179 2637 1 7 . 1 1 34 34 HIS C C 34 173.077 173.077 174.299 -1.222 19179 2638 1 7 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.734 2.901 19179 2639 1 7 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.077 -0.288 19179 2640 1 7 . 1 1 34 34 HIS H H 34 8.834 8.834 7.443 1.391 19179 2641 1 7 . 1 1 35 35 GLU N N 35 122.059 122.059 125.392 -3.333 19179 2642 1 7 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.312 -0.215 19179 2643 1 7 . 1 1 35 35 GLU C C 35 178.839 178.839 177.065 1.774 19179 2644 1 7 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.191 0.878 19179 2645 1 7 . 1 1 35 35 GLU CB C 35 29.733 29.733 30.008 -0.275 19179 2646 1 7 . 1 1 35 35 GLU H H 35 7.643 7.643 8.400 -0.757 19179 2647 1 7 . 1 1 36 36 GLY N N 36 114.969 114.969 112.935 2.034 19179 2648 1 7 . 1 1 36 36 GLY C C 36 173.165 173.165 174.637 -1.472 19179 2649 1 7 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.925 0.061 19179 2650 1 7 . 1 1 36 36 GLY H H 36 10.615 10.615 9.003 1.612 19179 2651 1 7 . 1 1 37 37 THR N N 37 116.476 116.476 120.316 -3.840 19179 2652 1 7 . 1 1 37 37 THR HA H 37 4.466 4.466 4.800 -0.334 19179 2653 1 7 . 1 1 37 37 THR C C 37 172.121 172.121 173.084 -0.963 19179 2654 1 7 . 1 1 37 37 THR CA C 37 62.490 62.490 62.211 0.279 19179 2655 1 7 . 1 1 37 37 THR CB C 37 68.752 68.752 68.846 -0.094 19179 2656 1 7 . 1 1 37 37 THR H H 37 7.669 7.669 7.688 -0.019 19179 2657 1 7 . 1 1 38 38 TYR N N 38 124.951 124.951 124.708 0.243 19179 2658 1 7 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.710 0.924 19179 2659 1 7 . 1 1 38 38 TYR C C 38 174.538 174.538 173.912 0.626 19179 2660 1 7 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.263 -1.262 19179 2661 1 7 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.334 -0.723 19179 2662 1 7 . 1 1 38 38 TYR H H 38 8.622 8.622 8.651 -0.029 19179 2663 1 7 . 1 1 39 39 PHE N N 39 115.194 115.194 114.907 0.287 19179 2664 1 7 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.986 0.098 19179 2665 1 7 . 1 1 39 39 PHE C C 39 173.379 173.379 172.709 0.670 19179 2666 1 7 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.733 -1.795 19179 2667 1 7 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.343 -1.123 19179 2668 1 7 . 1 1 39 39 PHE H H 39 8.483 8.483 8.719 -0.236 19179 2669 1 7 . 1 1 40 40 SER N N 40 114.429 114.429 119.455 -5.026 19179 2670 1 7 . 1 1 40 40 SER HA H 40 4.341 4.341 4.430 -0.089 19179 2671 1 7 . 1 1 40 40 SER C C 40 173.355 173.355 174.836 -1.481 19179 2672 1 7 . 1 1 40 40 SER CA C 40 60.726 60.726 56.717 4.009 19179 2673 1 7 . 1 1 40 40 SER CB C 40 63.544 63.544 64.654 -1.110 19179 2674 1 7 . 1 1 40 40 SER H H 40 9.519 9.519 8.461 1.058 19179 2675 1 7 . 1 1 41 41 ASP N N 41 125.551 125.551 124.359 1.192 19179 2676 1 7 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.424 0.489 19179 2677 1 7 . 1 1 41 41 ASP C C 41 176.230 176.230 175.964 0.266 19179 2678 1 7 . 1 1 41 41 ASP CA C 41 53.739 53.739 54.189 -0.450 19179 2679 1 7 . 1 1 41 41 ASP CB C 41 39.725 39.725 39.776 -0.051 19179 2680 1 7 . 1 1 41 41 ASP H H 41 8.431 8.431 8.178 0.253 19179 2681 1 7 . 1 1 42 42 SER N N 42 114.674 114.674 118.473 -3.799 19179 2682 1 7 . 1 1 42 42 SER HA H 42 4.370 4.370 4.292 0.078 19179 2683 1 7 . 1 1 42 42 SER C C 42 177.229 177.229 175.708 1.521 19179 2684 1 7 . 1 1 42 42 SER CA C 42 59.770 59.770 59.851 -0.081 19179 2685 1 7 . 1 1 42 42 SER CB C 42 62.951 62.951 63.458 -0.507 19179 2686 1 7 . 1 1 42 42 SER H H 42 9.001 9.001 8.479 0.522 19179 2687 1 7 . 1 1 43 43 GLY N N 43 130.573 130.573 115.546 15.027 19179 2688 1 7 . 1 1 43 43 GLY C C 43 172.823 172.823 173.696 -0.873 19179 2689 1 7 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.949 0.880 19179 2690 1 7 . 1 1 43 43 GLY H H 43 8.261 8.261 8.679 -0.418 19179 2691 1 7 . 1 1 44 44 ASP N N 44 120.029 120.029 121.407 -1.378 19179 2692 1 7 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.938 -0.197 19179 2693 1 7 . 1 1 44 44 ASP C C 44 176.327 176.327 176.427 -0.100 19179 2694 1 7 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.527 -0.218 19179 2695 1 7 . 1 1 44 44 ASP CB C 44 40.067 40.067 42.209 -2.142 19179 2696 1 7 . 1 1 44 44 ASP H H 44 8.583 8.583 7.691 0.892 19179 2697 1 7 . 1 1 45 45 ILE N N 45 129.584 129.584 118.121 11.463 19179 2698 1 7 . 1 1 45 45 ILE HA H 45 3.691 3.691 4.387 -0.696 19179 2699 1 7 . 1 1 45 45 ILE C C 45 177.352 177.352 177.325 0.027 19179 2700 1 7 . 1 1 45 45 ILE CA C 45 64.967 64.967 62.672 2.295 19179 2701 1 7 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.682 -0.869 19179 2702 1 7 . 1 1 45 45 ILE H H 45 8.589 8.589 8.244 0.345 19179 2703 1 7 . 1 1 46 46 SER N N 46 117.808 117.808 116.449 1.359 19179 2704 1 7 . 1 1 46 46 SER HA H 46 4.338 4.338 4.280 0.058 19179 2705 1 7 . 1 1 46 46 SER C C 46 177.116 177.116 176.082 1.034 19179 2706 1 7 . 1 1 46 46 SER CA C 46 61.744 61.744 61.706 0.038 19179 2707 1 7 . 1 1 46 46 SER CB C 46 62.502 62.502 62.693 -0.191 19179 2708 1 7 . 1 1 46 46 SER H H 46 8.275 8.275 8.386 -0.111 19179 2709 1 7 . 1 1 47 47 GLU N N 47 121.839 121.839 122.612 -0.773 19179 2710 1 7 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.152 -0.110 19179 2711 1 7 . 1 1 47 47 GLU C C 47 178.981 178.981 177.795 1.186 19179 2712 1 7 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.405 0.013 19179 2713 1 7 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.305 -0.047 19179 2714 1 7 . 1 1 47 47 GLU H H 47 7.372 7.372 7.927 -0.555 19179 2715 1 7 . 1 1 48 48 ALA N N 48 122.935 122.935 120.867 2.068 19179 2716 1 7 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.141 -0.280 19179 2717 1 7 . 1 1 48 48 ALA C C 48 178.641 178.641 179.430 -0.789 19179 2718 1 7 . 1 1 48 48 ALA CA C 48 55.325 55.325 54.849 0.476 19179 2719 1 7 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.576 -1.185 19179 2720 1 7 . 1 1 48 48 ALA H H 48 6.925 6.925 7.564 -0.639 19179 2721 1 7 . 1 1 49 49 GLU N N 49 118.249 118.249 119.656 -1.407 19179 2722 1 7 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.095 -0.482 19179 2723 1 7 . 1 1 49 49 GLU C C 49 177.879 177.879 178.782 -0.903 19179 2724 1 7 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.060 1.262 19179 2725 1 7 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.340 -0.472 19179 2726 1 7 . 1 1 49 49 GLU H H 49 8.288 8.288 8.020 0.268 19179 2727 1 7 . 1 1 50 50 GLU N N 50 117.450 117.450 120.839 -3.389 19179 2728 1 7 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.107 -0.185 19179 2729 1 7 . 1 1 50 50 GLU C C 50 179.532 179.532 179.093 0.439 19179 2730 1 7 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.292 0.461 19179 2731 1 7 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.764 -0.736 19179 2732 1 7 . 1 1 50 50 GLU H H 50 8.108 8.108 8.155 -0.047 19179 2733 1 7 . 1 1 51 51 LEU N N 51 120.169 120.169 118.928 1.241 19179 2734 1 7 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.095 0.212 19179 2735 1 7 . 1 1 51 51 LEU C C 51 178.285 178.285 178.597 -0.312 19179 2736 1 7 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.896 -0.458 19179 2737 1 7 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.826 -1.060 19179 2738 1 7 . 1 1 51 51 LEU H H 51 7.835 7.835 8.490 -0.655 19179 2739 1 7 . 1 1 52 52 ALA N N 52 121.167 121.167 122.710 -1.543 19179 2740 1 7 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.139 -0.344 19179 2741 1 7 . 1 1 52 52 ALA C C 52 178.611 178.611 179.245 -0.634 19179 2742 1 7 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.915 0.732 19179 2743 1 7 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.674 -0.498 19179 2744 1 7 . 1 1 52 52 ALA H H 52 8.286 8.286 7.903 0.383 19179 2745 1 7 . 1 1 53 53 ARG N N 53 115.092 115.092 119.570 -4.478 19179 2746 1 7 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.283 -0.556 19179 2747 1 7 . 1 1 53 53 ARG C C 53 179.136 179.136 178.007 1.129 19179 2748 1 7 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.562 1.046 19179 2749 1 7 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.749 -0.229 19179 2750 1 7 . 1 1 53 53 ARG H H 53 7.957 7.957 8.098 -0.141 19179 2751 1 7 . 1 1 54 54 GLU N N 54 122.263 122.263 119.249 3.014 19179 2752 1 7 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.109 -0.045 19179 2753 1 7 . 1 1 54 54 GLU C C 54 179.159 179.159 178.802 0.357 19179 2754 1 7 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.526 0.892 19179 2755 1 7 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.531 0.357 19179 2756 1 7 . 1 1 54 54 GLU H H 54 8.089 8.089 8.240 -0.151 19179 2757 1 7 . 1 1 55 55 LYS N N 55 118.511 118.511 120.177 -1.666 19179 2758 1 7 . 1 1 55 55 LYS HA H 55 3.810 3.810 3.994 -0.184 19179 2759 1 7 . 1 1 55 55 LYS C C 55 179.078 179.078 178.863 0.215 19179 2760 1 7 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.961 0.849 19179 2761 1 7 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.300 0.443 19179 2762 1 7 . 1 1 55 55 LYS H H 55 9.118 9.118 8.049 1.069 19179 2763 1 7 . 1 1 56 56 PHE N N 56 119.918 119.918 116.347 3.571 19179 2764 1 7 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.416 -0.554 19179 2765 1 7 . 1 1 56 56 PHE H H 56 8.456 8.456 8.393 0.063 19179 2766 1 7 . 1 1 57 57 GLU N N 57 121.819 121.819 119.759 2.060 19179 2767 1 7 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.449 0.679 19179 2768 1 7 . 1 1 57 57 GLU C C 57 177.889 177.889 177.379 0.510 19179 2769 1 7 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.416 0.822 19179 2770 1 7 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.966 0.517 19179 2771 1 7 . 1 1 57 57 GLU H H 57 8.153 8.153 7.188 0.965 19179 2772 1 7 . 1 1 58 58 LYS N N 58 115.784 115.784 117.489 -1.705 19179 2773 1 7 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.187 0.080 19179 2774 1 7 . 1 1 58 58 LYS C C 58 176.710 176.710 176.646 0.064 19179 2775 1 7 . 1 1 58 58 LYS CA C 58 56.742 56.742 57.032 -0.290 19179 2776 1 7 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.002 0.025 19179 2777 1 7 . 1 1 58 58 LYS H H 58 7.684 7.684 7.854 -0.170 19179 2778 1 7 . 1 1 59 59 GLY N N 59 130.075 130.075 108.041 22.034 19179 2779 1 7 . 1 1 59 59 GLY C C 59 175.969 175.969 173.919 2.050 19179 2780 1 7 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.242 1.088 19179 2781 1 7 . 1 1 59 59 GLY H H 59 7.644 7.644 7.200 0.444 19179 2782 1 7 . 1 1 60 60 GLU N N 60 117.714 117.714 120.051 -2.337 19179 2783 1 7 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.513 -0.174 19179 2784 1 7 . 1 1 60 60 GLU C C 60 175.359 175.359 175.596 -0.237 19179 2785 1 7 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.121 0.412 19179 2786 1 7 . 1 1 60 60 GLU CB C 60 30.356 30.356 32.071 -1.715 19179 2787 1 7 . 1 1 60 60 GLU H H 60 8.008 8.008 8.380 -0.372 19179 2788 1 7 . 1 1 61 61 VAL N N 61 120.144 120.144 120.790 -0.646 19179 2789 1 7 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.299 0.223 19179 2790 1 7 . 1 1 61 61 VAL C C 61 176.175 176.175 175.234 0.941 19179 2791 1 7 . 1 1 61 61 VAL CA C 61 61.267 61.267 60.763 0.504 19179 2792 1 7 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.523 1.163 19179 2793 1 7 . 1 1 61 61 VAL H H 61 7.745 7.745 8.367 -0.622 19179 2794 1 7 . 1 1 62 62 SER N N 62 126.283 126.283 122.225 4.058 19179 2795 1 7 . 1 1 62 62 SER HA H 62 4.644 4.644 4.495 0.149 19179 2796 1 7 . 1 1 62 62 SER C C 62 176.781 176.781 173.964 2.817 19179 2797 1 7 . 1 1 62 62 SER CA C 62 60.796 60.796 57.433 3.363 19179 2798 1 7 . 1 1 62 62 SER CB C 62 65.061 65.061 62.444 2.617 19179 2799 1 7 . 1 1 62 62 SER H H 62 11.396 11.396 8.523 2.873 19179 2800 1 7 . 1 1 63 63 ASN N N 63 118.526 118.526 120.998 -2.472 19179 2801 1 7 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.368 0.364 19179 2802 1 7 . 1 1 63 63 ASN C C 63 172.632 172.632 173.778 -1.146 19179 2803 1 7 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.975 0.611 19179 2804 1 7 . 1 1 63 63 ASN CB C 63 39.772 39.772 37.050 2.721 19179 2805 1 7 . 1 1 63 63 ASN H H 63 10.333 10.333 8.307 2.026 19179 2806 1 7 . 1 1 64 64 PHE N N 64 112.992 112.992 117.834 -4.842 19179 2807 1 7 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.596 0.270 19179 2808 1 7 . 1 1 64 64 PHE C C 64 174.310 174.310 174.969 -0.659 19179 2809 1 7 . 1 1 64 64 PHE CA C 64 56.626 56.626 55.703 0.923 19179 2810 1 7 . 1 1 64 64 PHE CB C 64 42.883 42.883 39.818 3.065 19179 2811 1 7 . 1 1 64 64 PHE H H 64 6.971 6.971 7.848 -0.877 19179 2812 1 7 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.323 0.565 19179 2813 1 7 . 1 1 65 65 ASP C C 65 175.049 175.049 175.191 -0.142 19179 2814 1 7 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.803 -1.156 19179 2815 1 7 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.640 -0.273 19179 2816 1 7 . 1 1 66 66 ASP N N 66 119.568 119.568 117.804 1.764 19179 2817 1 7 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.675 0.186 19179 2818 1 7 . 1 1 66 66 ASP C C 66 175.858 175.858 176.477 -0.619 19179 2819 1 7 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.375 -0.712 19179 2820 1 7 . 1 1 66 66 ASP CB C 66 44.261 44.261 44.364 -0.103 19179 2821 1 7 . 1 1 66 66 ASP H H 66 7.413 7.413 7.546 -0.133 19179 2822 1 7 . 1 1 67 67 VAL N N 67 127.826 127.826 124.363 3.463 19179 2823 1 7 . 1 1 67 67 VAL HA H 67 2.982 2.982 4.008 -1.026 19179 2824 1 7 . 1 1 67 67 VAL C C 67 175.173 175.173 176.937 -1.764 19179 2825 1 7 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.314 -2.103 19179 2826 1 7 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.511 -1.663 19179 2827 1 7 . 1 1 67 67 VAL H H 67 8.298 8.298 8.574 -0.276 19179 2828 1 7 . 1 1 68 68 GLU N N 68 120.580 120.580 117.658 2.922 19179 2829 1 7 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.044 0.005 19179 2830 1 7 . 1 1 68 68 GLU C C 68 180.052 180.052 178.829 1.223 19179 2831 1 7 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.585 -1.727 19179 2832 1 7 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.142 -1.738 19179 2833 1 7 . 1 1 68 68 GLU H H 68 7.909 7.909 9.013 -1.104 19179 2834 1 7 . 1 1 69 69 GLU N N 69 121.347 121.347 121.295 0.052 19179 2835 1 7 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.124 -0.192 19179 2836 1 7 . 1 1 69 69 GLU C C 69 179.095 179.095 178.805 0.290 19179 2837 1 7 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.977 0.010 19179 2838 1 7 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.834 -0.314 19179 2839 1 7 . 1 1 69 69 GLU H H 69 7.669 7.669 8.092 -0.423 19179 2840 1 7 . 1 1 70 70 LEU N N 70 120.330 120.330 120.651 -0.321 19179 2841 1 7 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.938 -0.993 19179 2842 1 7 . 1 1 70 70 LEU C C 70 177.014 177.014 178.830 -1.816 19179 2843 1 7 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.196 -0.716 19179 2844 1 7 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.920 -1.676 19179 2845 1 7 . 1 1 70 70 LEU H H 70 7.184 7.184 8.393 -1.209 19179 2846 1 7 . 1 1 71 71 VAL N N 71 118.625 118.625 115.893 2.732 19179 2847 1 7 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.656 -0.586 19179 2848 1 7 . 1 1 71 71 VAL C C 71 177.049 177.049 177.923 -0.874 19179 2849 1 7 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.456 1.432 19179 2850 1 7 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.535 0.860 19179 2851 1 7 . 1 1 71 71 VAL H H 71 8.262 8.262 8.340 -0.078 19179 2852 1 7 . 1 1 72 72 LYS N N 72 116.770 116.770 120.038 -3.268 19179 2853 1 7 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.987 -0.150 19179 2854 1 7 . 1 1 72 72 LYS C C 72 179.439 179.439 179.080 0.359 19179 2855 1 7 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.796 0.158 19179 2856 1 7 . 1 1 72 72 LYS CB C 72 32.619 32.619 32.126 0.493 19179 2857 1 7 . 1 1 72 72 LYS H H 72 7.791 7.791 7.961 -0.170 19179 2858 1 7 . 1 1 73 73 LYS N N 73 121.221 121.221 117.777 3.444 19179 2859 1 7 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.148 0.068 19179 2860 1 7 . 1 1 73 73 LYS C C 73 177.539 177.539 178.931 -1.392 19179 2861 1 7 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.949 -1.625 19179 2862 1 7 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.288 -0.382 19179 2863 1 7 . 1 1 73 73 LYS H H 73 7.796 7.796 7.970 -0.174 19179 2864 1 7 . 1 1 74 74 VAL N N 74 119.691 119.691 120.929 -1.238 19179 2865 1 7 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.815 -0.400 19179 2866 1 7 . 1 1 74 74 VAL C C 74 177.638 177.638 178.265 -0.627 19179 2867 1 7 . 1 1 74 74 VAL CA C 74 66.863 66.863 66.483 0.380 19179 2868 1 7 . 1 1 74 74 VAL H H 74 8.445 8.445 7.988 0.457 19179 2869 1 7 . 1 1 75 75 VAL N N 75 120.095 120.095 120.503 -0.408 19179 2870 1 7 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.760 -0.408 19179 2871 1 7 . 1 1 75 75 VAL C C 75 177.621 177.621 177.264 0.357 19179 2872 1 7 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.225 1.534 19179 2873 1 7 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.587 -2.431 19179 2874 1 7 . 1 1 75 75 VAL H H 75 8.521 8.521 8.574 -0.053 19179 2875 1 7 . 1 1 76 76 ALA N N 76 120.276 120.276 122.629 -2.353 19179 2876 1 7 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.091 0.100 19179 2877 1 7 . 1 1 76 76 ALA C C 76 181.968 181.968 179.569 2.399 19179 2878 1 7 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.635 -0.154 19179 2879 1 7 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.152 0.243 19179 2880 1 7 . 1 1 76 76 ALA H H 76 7.839 7.839 8.119 -0.280 19179 2881 1 7 . 1 1 77 77 VAL N N 77 114.746 114.746 115.705 -0.959 19179 2882 1 7 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.720 0.298 19179 2883 1 7 . 1 1 77 77 VAL C C 77 178.133 178.133 177.357 0.776 19179 2884 1 7 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.857 -0.327 19179 2885 1 7 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.634 -0.691 19179 2886 1 7 . 1 1 77 77 VAL H H 77 8.662 8.662 8.016 0.646 19179 2887 1 7 . 1 1 78 78 CYS N N 78 119.096 119.096 119.535 -0.439 19179 2888 1 7 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.952 0.039 19179 2889 1 7 . 1 1 78 78 CYS C C 78 177.621 177.621 176.777 0.844 19179 2890 1 7 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.071 1.705 19179 2891 1 7 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.489 -0.149 19179 2892 1 7 . 1 1 78 78 CYS H H 78 7.740 7.740 7.884 -0.144 19179 2893 1 7 . 1 1 79 79 GLU N N 79 118.797 118.797 119.014 -0.217 19179 2894 1 7 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.138 -0.102 19179 2895 1 7 . 1 1 79 79 GLU C C 79 179.135 179.135 179.817 -0.682 19179 2896 1 7 . 1 1 79 79 GLU CA C 79 58.900 58.900 59.311 -0.411 19179 2897 1 7 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.455 0.255 19179 2898 1 7 . 1 1 79 79 GLU H H 79 8.106 8.106 8.105 0.001 19179 2899 1 7 . 1 1 80 80 GLU N N 80 119.483 119.483 120.147 -0.664 19179 2900 1 7 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.136 -0.515 19179 2901 1 7 . 1 1 80 80 GLU C C 80 177.433 177.433 178.515 -1.082 19179 2902 1 7 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.646 0.065 19179 2903 1 7 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.342 1.316 19179 2904 1 7 . 1 1 80 80 GLU H H 80 8.167 8.167 8.298 -0.131 19179 2905 1 7 . 1 1 81 81 LEU N N 81 117.475 117.475 117.364 0.111 19179 2906 1 7 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.293 0.359 19179 2907 1 7 . 1 1 81 81 LEU C C 81 177.355 177.355 177.035 0.320 19179 2908 1 7 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.770 -0.361 19179 2909 1 7 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.533 -1.080 19179 2910 1 7 . 1 1 81 81 LEU H H 81 8.145 8.145 7.749 0.396 19179 2911 1 7 . 1 1 82 82 GLY N N 82 127.998 127.998 107.115 20.883 19179 2912 1 7 . 1 1 82 82 GLY C C 82 175.024 175.024 173.691 1.333 19179 2913 1 7 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.869 1.770 19179 2914 1 7 . 1 1 82 82 GLY H H 82 7.218 7.218 7.857 -0.639 19179 2915 1 7 . 1 1 83 83 ALA N N 83 126.068 126.068 121.653 4.415 19179 2916 1 7 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.796 -0.295 19179 2917 1 7 . 1 1 83 83 ALA C C 83 177.567 177.567 175.842 1.725 19179 2918 1 7 . 1 1 83 83 ALA CA C 83 52.104 52.104 50.827 1.278 19179 2919 1 7 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.549 -0.975 19179 2920 1 7 . 1 1 83 83 ALA H H 83 8.202 8.202 7.425 0.777 19179 2921 1 7 . 1 1 84 84 GLU N N 84 118.661 118.661 121.457 -2.796 19179 2922 1 7 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.674 -0.422 19179 2923 1 7 . 1 1 84 84 GLU C C 84 175.915 175.915 175.212 0.703 19179 2924 1 7 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.183 2.488 19179 2925 1 7 . 1 1 84 84 GLU CB C 84 30.666 30.666 30.942 -0.276 19179 2926 1 7 . 1 1 84 84 GLU H H 84 9.004 9.004 8.981 0.023 19179 2927 1 7 . 1 1 85 85 GLU N N 85 111.162 111.162 117.617 -6.455 19179 2928 1 7 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.311 -0.430 19179 2929 1 7 . 1 1 85 85 GLU C C 85 173.815 173.815 174.068 -0.253 19179 2930 1 7 . 1 1 85 85 GLU CA C 85 53.657 53.657 55.901 -2.244 19179 2931 1 7 . 1 1 85 85 GLU CB C 85 32.364 32.364 30.910 1.454 19179 2932 1 7 . 1 1 85 85 GLU H H 85 7.318 7.318 7.950 -0.632 19179 2933 1 7 . 1 1 86 86 CYS N N 86 122.106 122.106 121.185 0.921 19179 2934 1 7 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.898 -0.820 19179 2935 1 7 . 1 1 86 86 CYS C C 86 177.088 177.088 175.498 1.590 19179 2936 1 7 . 1 1 86 86 CYS CA C 86 59.470 59.470 56.500 2.970 19179 2937 1 7 . 1 1 86 86 CYS CB C 86 29.441 29.441 25.961 3.480 19179 2938 1 7 . 1 1 86 86 CYS H H 86 8.035 8.035 8.473 -0.438 19179 2939 1 7 . 1 1 87 87 PHE N N 87 129.406 129.406 124.286 5.120 19179 2940 1 7 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.268 0.224 19179 2941 1 7 . 1 1 87 87 PHE C C 87 176.921 176.921 177.090 -0.169 19179 2942 1 7 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.500 -0.903 19179 2943 1 7 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.706 0.233 19179 2944 1 7 . 1 1 87 87 PHE H H 87 8.292 8.292 8.658 -0.366 19179 2945 1 7 . 1 1 88 88 SER N N 88 118.356 118.356 116.884 1.472 19179 2946 1 7 . 1 1 88 88 SER HA H 88 4.131 4.131 4.108 0.023 19179 2947 1 7 . 1 1 88 88 SER C C 88 174.940 174.940 176.333 -1.393 19179 2948 1 7 . 1 1 88 88 SER CA C 88 60.832 60.832 61.193 -0.361 19179 2949 1 7 . 1 1 88 88 SER CB C 88 62.143 62.143 61.506 0.637 19179 2950 1 7 . 1 1 88 88 SER H H 88 8.436 8.436 8.228 0.208 19179 2951 1 7 . 1 1 89 89 CYS N N 89 125.476 125.476 120.313 5.163 19179 2952 1 7 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.184 -0.071 19179 2953 1 7 . 1 1 89 89 CYS C C 89 174.660 174.660 175.821 -1.161 19179 2954 1 7 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.574 2.189 19179 2955 1 7 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.484 3.951 19179 2956 1 7 . 1 1 89 89 CYS H H 89 7.699 7.699 8.058 -0.359 19179 2957 1 7 . 1 1 90 90 ASP N N 90 119.756 119.756 119.254 0.502 19179 2958 1 7 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.966 -0.449 19179 2959 1 7 . 1 1 90 90 ASP C C 90 175.429 175.429 176.086 -0.657 19179 2960 1 7 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.960 0.082 19179 2961 1 7 . 1 1 90 90 ASP CB C 90 42.007 42.007 42.153 -0.145 19179 2962 1 7 . 1 1 90 90 ASP H H 90 7.569 7.569 8.175 -0.606 19179 2963 1 7 . 1 1 91 91 PHE N N 91 120.531 120.531 119.322 1.209 19179 2964 1 7 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.495 0.134 19179 2965 1 7 . 1 1 91 91 PHE C C 91 174.893 174.893 175.358 -0.465 19179 2966 1 7 . 1 1 91 91 PHE CA C 91 57.260 57.260 56.662 0.598 19179 2967 1 7 . 1 1 91 91 PHE CB C 91 39.545 39.545 39.442 0.103 19179 2968 1 7 . 1 1 91 91 PHE H H 91 7.910 7.910 7.973 -0.063 19179 2969 1 8 . 1 1 17 17 GLU C C 17 178.498 178.498 177.538 0.960 19179 2970 1 8 . 1 1 18 18 ALA N N 18 117.689 117.689 123.682 -5.993 19179 2971 1 8 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.593 -0.219 19179 2972 1 8 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.201 0.224 19179 2973 1 8 . 1 1 18 18 ALA H H 18 8.085 8.085 8.209 -0.124 19179 2974 1 8 . 1 1 19 19 VAL C C 19 177.450 177.450 177.265 0.185 19179 2975 1 8 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.063 0.749 19179 2976 1 8 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.858 -0.590 19179 2977 1 8 . 1 1 20 20 TYR N N 20 116.865 116.865 118.472 -1.607 19179 2978 1 8 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.207 -0.082 19179 2979 1 8 . 1 1 20 20 TYR C C 20 179.914 179.914 178.648 1.266 19179 2980 1 8 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.934 2.396 19179 2981 1 8 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.456 -0.274 19179 2982 1 8 . 1 1 20 20 TYR H H 20 8.138 8.138 8.156 -0.018 19179 2983 1 8 . 1 1 21 21 ILE N N 21 122.973 122.973 119.932 3.041 19179 2984 1 8 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.709 -0.051 19179 2985 1 8 . 1 1 21 21 ILE C C 21 176.306 176.306 178.036 -1.730 19179 2986 1 8 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.424 2.675 19179 2987 1 8 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.237 0.649 19179 2988 1 8 . 1 1 21 21 ILE H H 21 8.112 8.112 8.250 -0.138 19179 2989 1 8 . 1 1 22 22 ALA N N 22 122.302 122.302 122.291 0.011 19179 2990 1 8 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.089 -0.242 19179 2991 1 8 . 1 1 22 22 ALA C C 22 179.987 179.987 180.552 -0.565 19179 2992 1 8 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.260 -0.076 19179 2993 1 8 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.540 0.394 19179 2994 1 8 . 1 1 22 22 ALA H H 22 7.839 7.839 8.021 -0.182 19179 2995 1 8 . 1 1 23 23 ILE N N 23 119.408 119.408 117.926 1.482 19179 2996 1 8 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.885 0.485 19179 2997 1 8 . 1 1 23 23 ILE C C 23 180.184 180.184 175.934 4.250 19179 2998 1 8 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.580 0.125 19179 2999 1 8 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.701 0.641 19179 3000 1 8 . 1 1 23 23 ILE H H 23 8.328 8.328 8.486 -0.158 19179 3001 1 8 . 1 1 24 24 GLU N N 24 125.684 125.684 118.127 7.557 19179 3002 1 8 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.346 -0.458 19179 3003 1 8 . 1 1 24 24 GLU C C 24 178.861 178.861 176.749 2.112 19179 3004 1 8 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.453 -3.865 19179 3005 1 8 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.530 -0.445 19179 3006 1 8 . 1 1 24 24 GLU H H 24 8.344 8.344 7.967 0.377 19179 3007 1 8 . 1 1 25 25 ALA N N 25 117.589 117.589 120.927 -3.338 19179 3008 1 8 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.286 -0.094 19179 3009 1 8 . 1 1 25 25 ALA C C 25 177.866 177.866 177.888 -0.022 19179 3010 1 8 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.938 -0.478 19179 3011 1 8 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.835 0.496 19179 3012 1 8 . 1 1 25 25 ALA H H 25 8.228 8.228 7.630 0.598 19179 3013 1 8 . 1 1 26 26 GLY N N 26 129.923 129.923 104.352 25.571 19179 3014 1 8 . 1 1 26 26 GLY C C 26 173.535 173.535 175.566 -2.031 19179 3015 1 8 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.786 0.001 19179 3016 1 8 . 1 1 26 26 GLY H H 26 8.189 8.189 7.688 0.501 19179 3017 1 8 . 1 1 27 27 THR N N 27 119.446 119.446 118.508 0.938 19179 3018 1 8 . 1 1 27 27 THR HA H 27 4.445 4.445 4.028 0.417 19179 3019 1 8 . 1 1 27 27 THR C C 27 176.521 176.521 174.476 2.045 19179 3020 1 8 . 1 1 27 27 THR CA C 27 66.568 66.568 66.812 -0.244 19179 3021 1 8 . 1 1 27 27 THR CB C 27 51.731 51.731 69.463 -17.732 19179 3022 1 8 . 1 1 27 27 THR H H 27 7.919 7.919 8.122 -0.203 19179 3023 1 8 . 1 1 28 28 LEU N N 28 119.632 119.632 113.490 6.142 19179 3024 1 8 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.582 0.431 19179 3025 1 8 . 1 1 28 28 LEU C C 28 173.798 173.798 174.055 -0.257 19179 3026 1 8 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.243 -1.243 19179 3027 1 8 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.847 1.974 19179 3028 1 8 . 1 1 28 28 LEU H H 28 7.026 7.026 7.377 -0.351 19179 3029 1 8 . 1 1 29 29 ALA N N 29 121.053 121.053 120.025 1.028 19179 3030 1 8 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.663 -0.271 19179 3031 1 8 . 1 1 29 29 ALA C C 29 173.471 173.471 174.252 -0.781 19179 3032 1 8 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.966 0.717 19179 3033 1 8 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.595 1.375 19179 3034 1 8 . 1 1 29 29 ALA H H 29 8.856 8.856 7.883 0.973 19179 3035 1 8 . 1 1 30 30 GLU N N 30 119.234 119.234 116.379 2.855 19179 3036 1 8 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.479 0.320 19179 3037 1 8 . 1 1 30 30 GLU C C 30 176.292 176.292 174.682 1.610 19179 3038 1 8 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.937 -1.476 19179 3039 1 8 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.529 1.606 19179 3040 1 8 . 1 1 30 30 GLU H H 30 8.244 8.244 8.108 0.136 19179 3041 1 8 . 1 1 31 31 CYS N N 31 129.774 129.774 122.766 7.008 19179 3042 1 8 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.410 -0.098 19179 3043 1 8 . 1 1 31 31 CYS C C 31 175.519 175.519 176.319 -0.800 19179 3044 1 8 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.218 1.326 19179 3045 1 8 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.469 1.119 19179 3046 1 8 . 1 1 31 31 CYS H H 31 8.586 8.586 8.830 -0.244 19179 3047 1 8 . 1 1 32 32 GLU N N 32 126.867 126.867 127.390 -0.523 19179 3048 1 8 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.109 -0.020 19179 3049 1 8 . 1 1 32 32 GLU C C 32 177.061 177.061 175.841 1.220 19179 3050 1 8 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.382 0.346 19179 3051 1 8 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.096 1.337 19179 3052 1 8 . 1 1 32 32 GLU H H 32 8.756 8.756 8.856 -0.100 19179 3053 1 8 . 1 1 33 33 VAL N N 33 122.528 122.528 114.393 8.135 19179 3054 1 8 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.280 -0.462 19179 3055 1 8 . 1 1 33 33 VAL C C 33 176.434 176.434 175.338 1.096 19179 3056 1 8 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.959 2.174 19179 3057 1 8 . 1 1 33 33 VAL CB C 33 33.744 33.744 31.892 1.851 19179 3058 1 8 . 1 1 33 33 VAL H H 33 8.935 8.935 7.760 1.175 19179 3059 1 8 . 1 1 34 34 HIS N N 34 126.015 126.015 121.242 4.773 19179 3060 1 8 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.719 -0.144 19179 3061 1 8 . 1 1 34 34 HIS C C 34 173.077 173.077 174.241 -1.164 19179 3062 1 8 . 1 1 34 34 HIS CA C 34 56.635 56.635 54.127 2.508 19179 3063 1 8 . 1 1 34 34 HIS CB C 34 28.789 28.789 28.702 0.087 19179 3064 1 8 . 1 1 34 34 HIS H H 34 8.834 8.834 7.560 1.274 19179 3065 1 8 . 1 1 35 35 GLU N N 35 122.059 122.059 125.406 -3.347 19179 3066 1 8 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.176 -0.079 19179 3067 1 8 . 1 1 35 35 GLU C C 35 178.839 178.839 177.254 1.585 19179 3068 1 8 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.699 0.369 19179 3069 1 8 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.849 -0.116 19179 3070 1 8 . 1 1 35 35 GLU H H 35 7.643 7.643 8.459 -0.816 19179 3071 1 8 . 1 1 36 36 GLY N N 36 114.969 114.969 113.691 1.278 19179 3072 1 8 . 1 1 36 36 GLY C C 36 173.165 173.165 174.297 -1.132 19179 3073 1 8 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.154 -0.168 19179 3074 1 8 . 1 1 36 36 GLY H H 36 10.615 10.615 8.846 1.769 19179 3075 1 8 . 1 1 37 37 THR N N 37 116.476 116.476 117.267 -0.791 19179 3076 1 8 . 1 1 37 37 THR HA H 37 4.466 4.466 4.484 -0.018 19179 3077 1 8 . 1 1 37 37 THR C C 37 172.121 172.121 173.100 -0.979 19179 3078 1 8 . 1 1 37 37 THR CA C 37 62.490 62.490 62.795 -0.305 19179 3079 1 8 . 1 1 37 37 THR CB C 37 68.752 68.752 69.871 -1.119 19179 3080 1 8 . 1 1 37 37 THR H H 37 7.669 7.669 7.651 0.018 19179 3081 1 8 . 1 1 38 38 TYR N N 38 124.951 124.951 122.706 2.245 19179 3082 1 8 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.683 0.952 19179 3083 1 8 . 1 1 38 38 TYR C C 38 174.538 174.538 173.921 0.617 19179 3084 1 8 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.681 -1.680 19179 3085 1 8 . 1 1 38 38 TYR CB C 38 42.611 42.611 42.821 -0.210 19179 3086 1 8 . 1 1 38 38 TYR H H 38 8.622 8.622 8.464 0.158 19179 3087 1 8 . 1 1 39 39 PHE N N 39 115.194 115.194 115.204 -0.010 19179 3088 1 8 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.201 -0.117 19179 3089 1 8 . 1 1 39 39 PHE C C 39 173.379 173.379 173.279 0.100 19179 3090 1 8 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.453 -1.514 19179 3091 1 8 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.827 -1.607 19179 3092 1 8 . 1 1 39 39 PHE H H 39 8.483 8.483 8.825 -0.342 19179 3093 1 8 . 1 1 40 40 SER N N 40 114.429 114.429 119.182 -4.753 19179 3094 1 8 . 1 1 40 40 SER HA H 40 4.341 4.341 4.555 -0.214 19179 3095 1 8 . 1 1 40 40 SER C C 40 173.355 173.355 174.408 -1.053 19179 3096 1 8 . 1 1 40 40 SER CA C 40 60.726 60.726 57.003 3.723 19179 3097 1 8 . 1 1 40 40 SER CB C 40 63.544 63.544 64.691 -1.147 19179 3098 1 8 . 1 1 40 40 SER H H 40 9.519 9.519 8.610 0.909 19179 3099 1 8 . 1 1 41 41 ASP N N 41 125.551 125.551 123.339 2.212 19179 3100 1 8 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.548 0.365 19179 3101 1 8 . 1 1 41 41 ASP C C 41 176.230 176.230 176.231 -0.001 19179 3102 1 8 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.507 -1.768 19179 3103 1 8 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.077 -1.351 19179 3104 1 8 . 1 1 41 41 ASP H H 41 8.431 8.431 8.332 0.099 19179 3105 1 8 . 1 1 42 42 SER N N 42 114.674 114.674 120.657 -5.983 19179 3106 1 8 . 1 1 42 42 SER HA H 42 4.370 4.370 4.315 0.055 19179 3107 1 8 . 1 1 42 42 SER C C 42 177.229 177.229 175.883 1.346 19179 3108 1 8 . 1 1 42 42 SER CA C 42 59.770 59.770 59.472 0.298 19179 3109 1 8 . 1 1 42 42 SER CB C 42 62.951 62.951 63.547 -0.596 19179 3110 1 8 . 1 1 42 42 SER H H 42 9.001 9.001 7.946 1.055 19179 3111 1 8 . 1 1 43 43 GLY N N 43 130.573 130.573 114.698 15.875 19179 3112 1 8 . 1 1 43 43 GLY C C 43 172.823 172.823 173.736 -0.913 19179 3113 1 8 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.964 0.865 19179 3114 1 8 . 1 1 43 43 GLY H H 43 8.261 8.261 9.097 -0.836 19179 3115 1 8 . 1 1 44 44 ASP N N 44 120.029 120.029 121.127 -1.098 19179 3116 1 8 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.976 -0.235 19179 3117 1 8 . 1 1 44 44 ASP C C 44 176.327 176.327 175.619 0.708 19179 3118 1 8 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.609 -0.300 19179 3119 1 8 . 1 1 44 44 ASP CB C 44 40.067 40.067 42.063 -1.996 19179 3120 1 8 . 1 1 44 44 ASP H H 44 8.583 8.583 7.804 0.779 19179 3121 1 8 . 1 1 45 45 ILE N N 45 129.584 129.584 123.165 6.419 19179 3122 1 8 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.884 -0.193 19179 3123 1 8 . 1 1 45 45 ILE C C 45 177.352 177.352 177.673 -0.321 19179 3124 1 8 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.618 1.349 19179 3125 1 8 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.173 -0.360 19179 3126 1 8 . 1 1 45 45 ILE H H 45 8.589 8.589 8.515 0.074 19179 3127 1 8 . 1 1 46 46 SER N N 46 117.808 117.808 115.777 2.031 19179 3128 1 8 . 1 1 46 46 SER HA H 46 4.338 4.338 4.247 0.091 19179 3129 1 8 . 1 1 46 46 SER C C 46 177.116 177.116 176.339 0.777 19179 3130 1 8 . 1 1 46 46 SER CA C 46 61.744 61.744 61.204 0.540 19179 3131 1 8 . 1 1 46 46 SER CB C 46 62.502 62.502 62.285 0.216 19179 3132 1 8 . 1 1 46 46 SER H H 46 8.275 8.275 8.540 -0.265 19179 3133 1 8 . 1 1 47 47 GLU N N 47 121.839 121.839 121.549 0.290 19179 3134 1 8 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.070 -0.028 19179 3135 1 8 . 1 1 47 47 GLU C C 47 178.981 178.981 177.963 1.018 19179 3136 1 8 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.097 0.321 19179 3137 1 8 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.154 0.104 19179 3138 1 8 . 1 1 47 47 GLU H H 47 7.372 7.372 7.719 -0.347 19179 3139 1 8 . 1 1 48 48 ALA N N 48 122.935 122.935 122.789 0.146 19179 3140 1 8 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.079 -0.218 19179 3141 1 8 . 1 1 48 48 ALA C C 48 178.641 178.641 180.018 -1.377 19179 3142 1 8 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.010 0.315 19179 3143 1 8 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.265 -0.873 19179 3144 1 8 . 1 1 48 48 ALA H H 48 6.925 6.925 7.764 -0.839 19179 3145 1 8 . 1 1 49 49 GLU N N 49 118.249 118.249 118.828 -0.579 19179 3146 1 8 . 1 1 49 49 GLU HA H 49 3.613 3.613 3.966 -0.353 19179 3147 1 8 . 1 1 49 49 GLU C C 49 177.879 177.879 179.078 -1.199 19179 3148 1 8 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.099 1.223 19179 3149 1 8 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.369 -0.501 19179 3150 1 8 . 1 1 49 49 GLU H H 49 8.288 8.288 7.830 0.458 19179 3151 1 8 . 1 1 50 50 GLU N N 50 117.450 117.450 120.892 -3.442 19179 3152 1 8 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.052 -0.130 19179 3153 1 8 . 1 1 50 50 GLU C C 50 179.532 179.532 179.113 0.419 19179 3154 1 8 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.106 0.647 19179 3155 1 8 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.319 -0.291 19179 3156 1 8 . 1 1 50 50 GLU H H 50 8.108 8.108 7.949 0.159 19179 3157 1 8 . 1 1 51 51 LEU N N 51 120.169 120.169 119.066 1.103 19179 3158 1 8 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.291 0.016 19179 3159 1 8 . 1 1 51 51 LEU C C 51 178.285 178.285 179.227 -0.942 19179 3160 1 8 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.886 -0.448 19179 3161 1 8 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.710 -0.944 19179 3162 1 8 . 1 1 51 51 LEU H H 51 7.835 7.835 8.509 -0.674 19179 3163 1 8 . 1 1 52 52 ALA N N 52 121.167 121.167 122.498 -1.331 19179 3164 1 8 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.095 -0.300 19179 3165 1 8 . 1 1 52 52 ALA C C 52 178.611 178.611 179.894 -1.283 19179 3166 1 8 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.935 0.712 19179 3167 1 8 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.232 -0.056 19179 3168 1 8 . 1 1 52 52 ALA H H 52 8.286 8.286 8.095 0.191 19179 3169 1 8 . 1 1 53 53 ARG N N 53 115.092 115.092 118.988 -3.896 19179 3170 1 8 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.057 -0.330 19179 3171 1 8 . 1 1 53 53 ARG C C 53 179.136 179.136 178.776 0.360 19179 3172 1 8 . 1 1 53 53 ARG CA C 53 60.608 60.608 58.980 1.628 19179 3173 1 8 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.954 -0.434 19179 3174 1 8 . 1 1 53 53 ARG H H 53 7.957 7.957 8.552 -0.595 19179 3175 1 8 . 1 1 54 54 GLU N N 54 122.263 122.263 120.649 1.614 19179 3176 1 8 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.296 -0.232 19179 3177 1 8 . 1 1 54 54 GLU C C 54 179.159 179.159 178.978 0.181 19179 3178 1 8 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.657 -0.239 19179 3179 1 8 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.549 0.339 19179 3180 1 8 . 1 1 54 54 GLU H H 54 8.089 8.089 8.168 -0.079 19179 3181 1 8 . 1 1 55 55 LYS N N 55 118.511 118.511 119.846 -1.335 19179 3182 1 8 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.126 -0.316 19179 3183 1 8 . 1 1 55 55 LYS C C 55 179.078 179.078 178.233 0.845 19179 3184 1 8 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.375 1.435 19179 3185 1 8 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.072 0.671 19179 3186 1 8 . 1 1 55 55 LYS H H 55 9.118 9.118 8.303 0.815 19179 3187 1 8 . 1 1 56 56 PHE N N 56 119.918 119.918 119.689 0.229 19179 3188 1 8 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.329 -0.467 19179 3189 1 8 . 1 1 56 56 PHE H H 56 8.456 8.456 8.526 -0.070 19179 3190 1 8 . 1 1 57 57 GLU N N 57 121.819 121.819 118.504 3.315 19179 3191 1 8 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.245 -0.117 19179 3192 1 8 . 1 1 57 57 GLU C C 57 177.889 177.889 178.916 -1.027 19179 3193 1 8 . 1 1 57 57 GLU CA C 57 59.238 59.238 59.060 0.178 19179 3194 1 8 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.495 -0.012 19179 3195 1 8 . 1 1 57 57 GLU H H 57 8.153 8.153 8.676 -0.523 19179 3196 1 8 . 1 1 58 58 LYS N N 58 115.784 115.784 117.639 -1.855 19179 3197 1 8 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.280 -0.013 19179 3198 1 8 . 1 1 58 58 LYS C C 58 176.710 176.710 176.275 0.435 19179 3199 1 8 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.165 0.577 19179 3200 1 8 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.826 0.201 19179 3201 1 8 . 1 1 58 58 LYS H H 58 7.684 7.684 7.969 -0.285 19179 3202 1 8 . 1 1 59 59 GLY N N 59 130.075 130.075 108.073 22.002 19179 3203 1 8 . 1 1 59 59 GLY C C 59 175.969 175.969 172.925 3.044 19179 3204 1 8 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.931 1.399 19179 3205 1 8 . 1 1 59 59 GLY H H 59 7.644 7.644 7.574 0.070 19179 3206 1 8 . 1 1 60 60 GLU N N 60 117.714 117.714 123.634 -5.920 19179 3207 1 8 . 1 1 60 60 GLU HA H 60 4.339 4.339 3.826 0.513 19179 3208 1 8 . 1 1 60 60 GLU C C 60 175.359 175.359 175.679 -0.320 19179 3209 1 8 . 1 1 60 60 GLU CA C 60 55.533 55.533 56.507 -0.974 19179 3210 1 8 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.081 0.275 19179 3211 1 8 . 1 1 60 60 GLU H H 60 8.008 8.008 8.208 -0.200 19179 3212 1 8 . 1 1 61 61 VAL N N 61 120.144 120.144 118.255 1.889 19179 3213 1 8 . 1 1 61 61 VAL HA H 61 4.522 4.522 3.963 0.559 19179 3214 1 8 . 1 1 61 61 VAL C C 61 176.175 176.175 176.674 -0.499 19179 3215 1 8 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.830 -0.563 19179 3216 1 8 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.759 0.927 19179 3217 1 8 . 1 1 61 61 VAL H H 61 7.745 7.745 7.562 0.183 19179 3218 1 8 . 1 1 62 62 SER N N 62 126.283 126.283 118.317 7.966 19179 3219 1 8 . 1 1 62 62 SER HA H 62 4.644 4.644 4.258 0.386 19179 3220 1 8 . 1 1 62 62 SER C C 62 176.781 176.781 175.674 1.107 19179 3221 1 8 . 1 1 62 62 SER CA C 62 60.796 60.796 61.009 -0.213 19179 3222 1 8 . 1 1 62 62 SER CB C 62 65.061 65.061 63.046 2.015 19179 3223 1 8 . 1 1 62 62 SER H H 62 11.396 11.396 8.643 2.753 19179 3224 1 8 . 1 1 63 63 ASN N N 63 118.526 118.526 117.506 1.020 19179 3225 1 8 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.536 0.196 19179 3226 1 8 . 1 1 63 63 ASN C C 63 172.632 172.632 174.839 -2.207 19179 3227 1 8 . 1 1 63 63 ASN CA C 63 54.586 54.586 54.468 0.118 19179 3228 1 8 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.409 1.363 19179 3229 1 8 . 1 1 63 63 ASN H H 63 10.333 10.333 8.276 2.057 19179 3230 1 8 . 1 1 64 64 PHE N N 64 112.992 112.992 117.133 -4.141 19179 3231 1 8 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.153 0.713 19179 3232 1 8 . 1 1 64 64 PHE C C 64 174.310 174.310 174.018 0.292 19179 3233 1 8 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.154 -1.528 19179 3234 1 8 . 1 1 64 64 PHE CB C 64 42.883 42.883 37.147 5.736 19179 3235 1 8 . 1 1 64 64 PHE H H 64 6.971 6.971 7.484 -0.513 19179 3236 1 8 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.406 0.482 19179 3237 1 8 . 1 1 65 65 ASP C C 65 175.049 175.049 175.854 -0.805 19179 3238 1 8 . 1 1 65 65 ASP CA C 65 53.647 53.647 53.986 -0.339 19179 3239 1 8 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.605 -0.238 19179 3240 1 8 . 1 1 66 66 ASP N N 66 119.568 119.568 120.206 -0.638 19179 3241 1 8 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.539 0.322 19179 3242 1 8 . 1 1 66 66 ASP C C 66 175.858 175.858 177.185 -1.327 19179 3243 1 8 . 1 1 66 66 ASP CA C 66 52.663 52.663 54.444 -1.781 19179 3244 1 8 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.877 2.384 19179 3245 1 8 . 1 1 66 66 ASP H H 66 7.413 7.413 8.456 -1.043 19179 3246 1 8 . 1 1 67 67 VAL N N 67 127.826 127.826 125.397 2.429 19179 3247 1 8 . 1 1 67 67 VAL HA H 67 2.982 2.982 2.766 0.216 19179 3248 1 8 . 1 1 67 67 VAL C C 67 175.173 175.173 177.065 -1.892 19179 3249 1 8 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.002 -1.791 19179 3250 1 8 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.063 -1.215 19179 3251 1 8 . 1 1 67 67 VAL H H 67 8.298 8.298 8.565 -0.267 19179 3252 1 8 . 1 1 68 68 GLU N N 68 120.580 120.580 119.140 1.440 19179 3253 1 8 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.779 0.270 19179 3254 1 8 . 1 1 68 68 GLU C C 68 180.052 180.052 178.272 1.780 19179 3255 1 8 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.194 -2.336 19179 3256 1 8 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.108 -1.704 19179 3257 1 8 . 1 1 68 68 GLU H H 68 7.909 7.909 8.659 -0.750 19179 3258 1 8 . 1 1 69 69 GLU N N 69 121.347 121.347 119.855 1.492 19179 3259 1 8 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.108 -0.176 19179 3260 1 8 . 1 1 69 69 GLU C C 69 179.095 179.095 178.543 0.552 19179 3261 1 8 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.768 0.219 19179 3262 1 8 . 1 1 69 69 GLU CB C 69 29.520 29.520 28.905 0.615 19179 3263 1 8 . 1 1 69 69 GLU H H 69 7.669 7.669 8.242 -0.573 19179 3264 1 8 . 1 1 70 70 LEU N N 70 120.330 120.330 121.630 -1.300 19179 3265 1 8 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.111 -1.166 19179 3266 1 8 . 1 1 70 70 LEU C C 70 177.014 177.014 178.844 -1.830 19179 3267 1 8 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.114 -0.635 19179 3268 1 8 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.776 -1.532 19179 3269 1 8 . 1 1 70 70 LEU H H 70 7.184 7.184 8.154 -0.970 19179 3270 1 8 . 1 1 71 71 VAL N N 71 118.625 118.625 114.820 3.805 19179 3271 1 8 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.444 -0.374 19179 3272 1 8 . 1 1 71 71 VAL C C 71 177.049 177.049 177.455 -0.406 19179 3273 1 8 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.626 1.262 19179 3274 1 8 . 1 1 71 71 VAL CB C 71 31.395 31.395 31.071 0.324 19179 3275 1 8 . 1 1 71 71 VAL H H 71 8.262 8.262 8.496 -0.234 19179 3276 1 8 . 1 1 72 72 LYS N N 72 116.770 116.770 119.941 -3.171 19179 3277 1 8 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.948 -0.111 19179 3278 1 8 . 1 1 72 72 LYS C C 72 179.439 179.439 178.718 0.721 19179 3279 1 8 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.736 0.218 19179 3280 1 8 . 1 1 72 72 LYS CB C 72 32.619 32.619 32.120 0.499 19179 3281 1 8 . 1 1 72 72 LYS H H 72 7.791 7.791 7.967 -0.176 19179 3282 1 8 . 1 1 73 73 LYS N N 73 121.221 121.221 119.215 2.006 19179 3283 1 8 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.106 0.110 19179 3284 1 8 . 1 1 73 73 LYS C C 73 177.539 177.539 178.967 -1.428 19179 3285 1 8 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.061 -1.737 19179 3286 1 8 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.351 -0.445 19179 3287 1 8 . 1 1 73 73 LYS H H 73 7.796 7.796 7.698 0.098 19179 3288 1 8 . 1 1 74 74 VAL N N 74 119.691 119.691 121.207 -1.516 19179 3289 1 8 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.700 -0.285 19179 3290 1 8 . 1 1 74 74 VAL C C 74 177.638 177.638 177.606 0.032 19179 3291 1 8 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.505 -0.642 19179 3292 1 8 . 1 1 74 74 VAL H H 74 8.445 8.445 8.238 0.207 19179 3293 1 8 . 1 1 75 75 VAL N N 75 120.095 120.095 120.259 -0.164 19179 3294 1 8 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.686 -0.334 19179 3295 1 8 . 1 1 75 75 VAL C C 75 177.621 177.621 176.958 0.663 19179 3296 1 8 . 1 1 75 75 VAL CA C 75 67.759 67.759 64.618 3.141 19179 3297 1 8 . 1 1 75 75 VAL CB C 75 29.156 29.156 30.991 -1.835 19179 3298 1 8 . 1 1 75 75 VAL H H 75 8.521 8.521 8.188 0.333 19179 3299 1 8 . 1 1 76 76 ALA N N 76 120.276 120.276 123.168 -2.892 19179 3300 1 8 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.942 0.249 19179 3301 1 8 . 1 1 76 76 ALA C C 76 181.968 181.968 179.734 2.234 19179 3302 1 8 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.425 0.056 19179 3303 1 8 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.020 0.375 19179 3304 1 8 . 1 1 76 76 ALA H H 76 7.839 7.839 7.928 -0.089 19179 3305 1 8 . 1 1 77 77 VAL N N 77 114.746 114.746 117.940 -3.194 19179 3306 1 8 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.602 0.416 19179 3307 1 8 . 1 1 77 77 VAL C C 77 178.133 178.133 177.342 0.791 19179 3308 1 8 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.878 -0.348 19179 3309 1 8 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.916 -0.973 19179 3310 1 8 . 1 1 77 77 VAL H H 77 8.662 8.662 7.935 0.727 19179 3311 1 8 . 1 1 78 78 CYS N N 78 119.096 119.096 118.671 0.425 19179 3312 1 8 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.889 0.102 19179 3313 1 8 . 1 1 78 78 CYS C C 78 177.621 177.621 176.682 0.939 19179 3314 1 8 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.913 0.862 19179 3315 1 8 . 1 1 78 78 CYS CB C 78 27.340 27.340 26.727 0.612 19179 3316 1 8 . 1 1 78 78 CYS H H 78 7.740 7.740 8.168 -0.428 19179 3317 1 8 . 1 1 79 79 GLU N N 79 118.797 118.797 119.021 -0.224 19179 3318 1 8 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.097 -0.061 19179 3319 1 8 . 1 1 79 79 GLU C C 79 179.135 179.135 179.265 -0.130 19179 3320 1 8 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.739 0.161 19179 3321 1 8 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.503 0.207 19179 3322 1 8 . 1 1 79 79 GLU H H 79 8.106 8.106 8.334 -0.228 19179 3323 1 8 . 1 1 80 80 GLU N N 80 119.483 119.483 120.566 -1.083 19179 3324 1 8 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.123 -0.502 19179 3325 1 8 . 1 1 80 80 GLU C C 80 177.433 177.433 177.977 -0.544 19179 3326 1 8 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.538 0.173 19179 3327 1 8 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.558 1.100 19179 3328 1 8 . 1 1 80 80 GLU H H 80 8.167 8.167 8.208 -0.041 19179 3329 1 8 . 1 1 81 81 LEU N N 81 117.475 117.475 116.643 0.832 19179 3330 1 8 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.286 0.366 19179 3331 1 8 . 1 1 81 81 LEU C C 81 177.355 177.355 177.062 0.293 19179 3332 1 8 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.865 -0.456 19179 3333 1 8 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.417 -0.964 19179 3334 1 8 . 1 1 81 81 LEU H H 81 8.145 8.145 7.605 0.540 19179 3335 1 8 . 1 1 82 82 GLY N N 82 127.998 127.998 107.524 20.474 19179 3336 1 8 . 1 1 82 82 GLY C C 82 175.024 175.024 173.661 1.363 19179 3337 1 8 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.791 1.848 19179 3338 1 8 . 1 1 82 82 GLY H H 82 7.218 7.218 7.599 -0.381 19179 3339 1 8 . 1 1 83 83 ALA N N 83 126.068 126.068 121.365 4.703 19179 3340 1 8 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.705 -0.204 19179 3341 1 8 . 1 1 83 83 ALA C C 83 177.567 177.567 175.634 1.933 19179 3342 1 8 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.460 0.644 19179 3343 1 8 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.393 -0.819 19179 3344 1 8 . 1 1 83 83 ALA H H 83 8.202 8.202 7.710 0.492 19179 3345 1 8 . 1 1 84 84 GLU N N 84 118.661 118.661 122.959 -4.298 19179 3346 1 8 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.794 -0.542 19179 3347 1 8 . 1 1 84 84 GLU C C 84 175.915 175.915 175.443 0.472 19179 3348 1 8 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.825 2.846 19179 3349 1 8 . 1 1 84 84 GLU CB C 84 30.666 30.666 30.849 -0.183 19179 3350 1 8 . 1 1 84 84 GLU H H 84 9.004 9.004 8.934 0.070 19179 3351 1 8 . 1 1 85 85 GLU N N 85 111.162 111.162 117.896 -6.734 19179 3352 1 8 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.342 -0.461 19179 3353 1 8 . 1 1 85 85 GLU C C 85 173.815 173.815 174.611 -0.796 19179 3354 1 8 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.107 -2.450 19179 3355 1 8 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.325 0.039 19179 3356 1 8 . 1 1 85 85 GLU H H 85 7.318 7.318 8.393 -1.075 19179 3357 1 8 . 1 1 86 86 CYS N N 86 122.106 122.106 123.431 -1.325 19179 3358 1 8 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.754 -0.676 19179 3359 1 8 . 1 1 86 86 CYS C C 86 177.088 177.088 176.276 0.812 19179 3360 1 8 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.422 2.048 19179 3361 1 8 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.752 4.689 19179 3362 1 8 . 1 1 86 86 CYS H H 86 8.035 8.035 8.686 -0.651 19179 3363 1 8 . 1 1 87 87 PHE N N 87 129.406 129.406 128.369 1.037 19179 3364 1 8 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.090 0.402 19179 3365 1 8 . 1 1 87 87 PHE C C 87 176.921 176.921 177.002 -0.081 19179 3366 1 8 . 1 1 87 87 PHE CA C 87 59.597 59.597 62.030 -2.433 19179 3367 1 8 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.943 -0.004 19179 3368 1 8 . 1 1 87 87 PHE H H 87 8.292 8.292 8.337 -0.045 19179 3369 1 8 . 1 1 88 88 SER N N 88 118.356 118.356 115.788 2.568 19179 3370 1 8 . 1 1 88 88 SER HA H 88 4.131 4.131 4.361 -0.230 19179 3371 1 8 . 1 1 88 88 SER C C 88 174.940 174.940 176.981 -2.041 19179 3372 1 8 . 1 1 88 88 SER CA C 88 60.832 60.832 61.508 -0.676 19179 3373 1 8 . 1 1 88 88 SER CB C 88 62.143 62.143 62.571 -0.428 19179 3374 1 8 . 1 1 88 88 SER H H 88 8.436 8.436 8.668 -0.232 19179 3375 1 8 . 1 1 89 89 CYS N N 89 125.476 125.476 118.308 7.168 19179 3376 1 8 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.305 -0.192 19179 3377 1 8 . 1 1 89 89 CYS C C 89 174.660 174.660 175.587 -0.927 19179 3378 1 8 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.029 2.734 19179 3379 1 8 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.538 3.897 19179 3380 1 8 . 1 1 89 89 CYS H H 89 7.699 7.699 8.176 -0.477 19179 3381 1 8 . 1 1 90 90 ASP N N 90 119.756 119.756 117.412 2.344 19179 3382 1 8 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.638 -0.121 19179 3383 1 8 . 1 1 90 90 ASP C C 90 175.429 175.429 176.050 -0.621 19179 3384 1 8 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.709 -0.667 19179 3385 1 8 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.570 0.437 19179 3386 1 8 . 1 1 90 90 ASP H H 90 7.569 7.569 8.098 -0.529 19179 3387 1 8 . 1 1 91 91 PHE N N 91 120.531 120.531 121.507 -0.976 19179 3388 1 8 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.171 0.458 19179 3389 1 8 . 1 1 91 91 PHE C C 91 174.893 174.893 174.211 0.682 19179 3390 1 8 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.238 0.022 19179 3391 1 8 . 1 1 91 91 PHE CB C 91 39.545 39.545 38.908 0.637 19179 3392 1 8 . 1 1 91 91 PHE H H 91 7.910 7.910 7.594 0.316 19179 3393 1 9 . 1 1 17 17 GLU C C 17 178.498 178.498 175.911 2.587 19179 3394 1 9 . 1 1 18 18 ALA N N 18 117.689 117.689 126.080 -8.391 19179 3395 1 9 . 1 1 18 18 ALA CA C 18 55.374 55.374 54.945 0.429 19179 3396 1 9 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.348 0.077 19179 3397 1 9 . 1 1 18 18 ALA H H 18 8.085 8.085 8.574 -0.489 19179 3398 1 9 . 1 1 19 19 VAL C C 19 177.450 177.450 176.603 0.847 19179 3399 1 9 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.706 0.106 19179 3400 1 9 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.719 -0.450 19179 3401 1 9 . 1 1 20 20 TYR N N 20 116.865 116.865 117.510 -0.645 19179 3402 1 9 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.212 -0.087 19179 3403 1 9 . 1 1 20 20 TYR C C 20 179.914 179.914 178.210 1.704 19179 3404 1 9 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.429 2.901 19179 3405 1 9 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.516 -0.334 19179 3406 1 9 . 1 1 20 20 TYR H H 20 8.138 8.138 8.312 -0.174 19179 3407 1 9 . 1 1 21 21 ILE N N 21 122.973 122.973 120.389 2.584 19179 3408 1 9 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.811 -0.153 19179 3409 1 9 . 1 1 21 21 ILE C C 21 176.306 176.306 178.046 -1.740 19179 3410 1 9 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.091 3.008 19179 3411 1 9 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.123 0.763 19179 3412 1 9 . 1 1 21 21 ILE H H 21 8.112 8.112 8.307 -0.195 19179 3413 1 9 . 1 1 22 22 ALA N N 22 122.302 122.302 122.969 -0.667 19179 3414 1 9 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.126 -0.279 19179 3415 1 9 . 1 1 22 22 ALA C C 22 179.987 179.987 179.570 0.417 19179 3416 1 9 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.210 -0.026 19179 3417 1 9 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.754 0.180 19179 3418 1 9 . 1 1 22 22 ALA H H 22 7.839 7.839 7.961 -0.122 19179 3419 1 9 . 1 1 23 23 ILE N N 23 119.408 119.408 114.189 5.219 19179 3420 1 9 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.874 0.496 19179 3421 1 9 . 1 1 23 23 ILE C C 23 180.184 180.184 177.137 3.047 19179 3422 1 9 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.771 -0.066 19179 3423 1 9 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.908 0.434 19179 3424 1 9 . 1 1 23 23 ILE H H 23 8.328 8.328 8.220 0.108 19179 3425 1 9 . 1 1 24 24 GLU N N 24 125.684 125.684 118.968 6.716 19179 3426 1 9 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.285 -0.397 19179 3427 1 9 . 1 1 24 24 GLU C C 24 178.861 178.861 178.052 0.809 19179 3428 1 9 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.679 -4.091 19179 3429 1 9 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.648 -0.562 19179 3430 1 9 . 1 1 24 24 GLU H H 24 8.344 8.344 7.889 0.455 19179 3431 1 9 . 1 1 25 25 ALA N N 25 117.589 117.589 121.944 -4.355 19179 3432 1 9 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.158 0.034 19179 3433 1 9 . 1 1 25 25 ALA C C 25 177.866 177.866 177.443 0.423 19179 3434 1 9 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.856 -1.396 19179 3435 1 9 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.974 0.357 19179 3436 1 9 . 1 1 25 25 ALA H H 25 8.228 8.228 7.683 0.545 19179 3437 1 9 . 1 1 26 26 GLY N N 26 129.923 129.923 102.756 27.167 19179 3438 1 9 . 1 1 26 26 GLY C C 26 173.535 173.535 174.988 -1.453 19179 3439 1 9 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.643 0.144 19179 3440 1 9 . 1 1 26 26 GLY H H 26 8.189 8.189 7.657 0.532 19179 3441 1 9 . 1 1 27 27 THR N N 27 119.446 119.446 114.227 5.219 19179 3442 1 9 . 1 1 27 27 THR HA H 27 4.445 4.445 4.383 0.062 19179 3443 1 9 . 1 1 27 27 THR C C 27 176.521 176.521 174.319 2.202 19179 3444 1 9 . 1 1 27 27 THR CA C 27 66.568 66.568 63.828 2.740 19179 3445 1 9 . 1 1 27 27 THR CB C 27 51.731 51.731 70.746 -19.015 19179 3446 1 9 . 1 1 27 27 THR H H 27 7.919 7.919 7.766 0.153 19179 3447 1 9 . 1 1 28 28 LEU N N 28 119.632 119.632 117.678 1.954 19179 3448 1 9 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.577 0.436 19179 3449 1 9 . 1 1 28 28 LEU C C 28 173.798 173.798 174.229 -0.431 19179 3450 1 9 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.805 -1.805 19179 3451 1 9 . 1 1 28 28 LEU CB C 28 46.821 46.821 43.773 3.048 19179 3452 1 9 . 1 1 28 28 LEU H H 28 7.026 7.026 7.240 -0.214 19179 3453 1 9 . 1 1 29 29 ALA N N 29 121.053 121.053 118.698 2.355 19179 3454 1 9 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.530 -0.138 19179 3455 1 9 . 1 1 29 29 ALA C C 29 173.471 173.471 174.120 -0.649 19179 3456 1 9 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.088 0.595 19179 3457 1 9 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.536 1.434 19179 3458 1 9 . 1 1 29 29 ALA H H 29 8.856 8.856 7.758 1.098 19179 3459 1 9 . 1 1 30 30 GLU N N 30 119.234 119.234 117.607 1.627 19179 3460 1 9 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.535 0.264 19179 3461 1 9 . 1 1 30 30 GLU C C 30 176.292 176.292 174.735 1.557 19179 3462 1 9 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.728 -1.268 19179 3463 1 9 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.282 1.853 19179 3464 1 9 . 1 1 30 30 GLU H H 30 8.244 8.244 8.254 -0.010 19179 3465 1 9 . 1 1 31 31 CYS N N 31 129.774 129.774 121.858 7.916 19179 3466 1 9 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.492 -0.180 19179 3467 1 9 . 1 1 31 31 CYS C C 31 175.519 175.519 176.886 -1.367 19179 3468 1 9 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.287 1.257 19179 3469 1 9 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.651 0.937 19179 3470 1 9 . 1 1 31 31 CYS H H 31 8.586 8.586 8.699 -0.113 19179 3471 1 9 . 1 1 32 32 GLU N N 32 126.867 126.867 126.720 0.147 19179 3472 1 9 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.139 -0.050 19179 3473 1 9 . 1 1 32 32 GLU C C 32 177.061 177.061 175.530 1.531 19179 3474 1 9 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.520 0.208 19179 3475 1 9 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.338 1.095 19179 3476 1 9 . 1 1 32 32 GLU H H 32 8.756 8.756 9.016 -0.260 19179 3477 1 9 . 1 1 33 33 VAL N N 33 122.528 122.528 112.724 9.804 19179 3478 1 9 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.230 -0.412 19179 3479 1 9 . 1 1 33 33 VAL C C 33 176.434 176.434 175.124 1.310 19179 3480 1 9 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.086 2.046 19179 3481 1 9 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.091 1.653 19179 3482 1 9 . 1 1 33 33 VAL H H 33 8.935 8.935 7.830 1.105 19179 3483 1 9 . 1 1 34 34 HIS N N 34 126.015 126.015 120.565 5.450 19179 3484 1 9 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.807 -0.232 19179 3485 1 9 . 1 1 34 34 HIS C C 34 173.077 173.077 173.776 -0.699 19179 3486 1 9 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.415 3.220 19179 3487 1 9 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.104 -0.315 19179 3488 1 9 . 1 1 34 34 HIS H H 34 8.834 8.834 7.727 1.107 19179 3489 1 9 . 1 1 35 35 GLU N N 35 122.059 122.059 125.652 -3.593 19179 3490 1 9 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.205 -0.108 19179 3491 1 9 . 1 1 35 35 GLU C C 35 178.839 178.839 177.589 1.250 19179 3492 1 9 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.474 0.594 19179 3493 1 9 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.658 0.075 19179 3494 1 9 . 1 1 35 35 GLU H H 35 7.643 7.643 8.674 -1.031 19179 3495 1 9 . 1 1 36 36 GLY N N 36 114.969 114.969 113.161 1.808 19179 3496 1 9 . 1 1 36 36 GLY C C 36 173.165 173.165 174.430 -1.265 19179 3497 1 9 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.072 -0.086 19179 3498 1 9 . 1 1 36 36 GLY H H 36 10.615 10.615 8.610 2.005 19179 3499 1 9 . 1 1 37 37 THR N N 37 116.476 116.476 117.470 -0.994 19179 3500 1 9 . 1 1 37 37 THR HA H 37 4.466 4.466 4.442 0.024 19179 3501 1 9 . 1 1 37 37 THR C C 37 172.121 172.121 173.225 -1.104 19179 3502 1 9 . 1 1 37 37 THR CA C 37 62.490 62.490 63.007 -0.517 19179 3503 1 9 . 1 1 37 37 THR CB C 37 68.752 68.752 69.818 -1.066 19179 3504 1 9 . 1 1 37 37 THR H H 37 7.669 7.669 7.594 0.075 19179 3505 1 9 . 1 1 38 38 TYR N N 38 124.951 124.951 123.072 1.879 19179 3506 1 9 . 1 1 38 38 TYR HA H 38 5.635 5.635 5.162 0.473 19179 3507 1 9 . 1 1 38 38 TYR C C 38 174.538 174.538 174.145 0.393 19179 3508 1 9 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.130 -1.129 19179 3509 1 9 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.383 -0.772 19179 3510 1 9 . 1 1 38 38 TYR H H 38 8.622 8.622 8.722 -0.100 19179 3511 1 9 . 1 1 39 39 PHE N N 39 115.194 115.194 115.463 -0.269 19179 3512 1 9 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.009 0.075 19179 3513 1 9 . 1 1 39 39 PHE C C 39 173.379 173.379 172.610 0.769 19179 3514 1 9 . 1 1 39 39 PHE CA C 39 55.938 55.938 58.048 -2.110 19179 3515 1 9 . 1 1 39 39 PHE CB C 39 39.220 39.220 39.743 -0.523 19179 3516 1 9 . 1 1 39 39 PHE H H 39 8.483 8.483 8.966 -0.483 19179 3517 1 9 . 1 1 40 40 SER N N 40 114.429 114.429 118.597 -4.168 19179 3518 1 9 . 1 1 40 40 SER HA H 40 4.341 4.341 4.481 -0.140 19179 3519 1 9 . 1 1 40 40 SER C C 40 173.355 173.355 174.796 -1.441 19179 3520 1 9 . 1 1 40 40 SER CA C 40 60.726 60.726 57.210 3.516 19179 3521 1 9 . 1 1 40 40 SER CB C 40 63.544 63.544 64.355 -0.811 19179 3522 1 9 . 1 1 40 40 SER H H 40 9.519 9.519 8.609 0.910 19179 3523 1 9 . 1 1 41 41 ASP N N 41 125.551 125.551 123.204 2.347 19179 3524 1 9 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.503 0.410 19179 3525 1 9 . 1 1 41 41 ASP C C 41 176.230 176.230 176.327 -0.097 19179 3526 1 9 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.307 -1.568 19179 3527 1 9 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.723 -0.998 19179 3528 1 9 . 1 1 41 41 ASP H H 41 8.431 8.431 8.415 0.016 19179 3529 1 9 . 1 1 42 42 SER N N 42 114.674 114.674 120.282 -5.608 19179 3530 1 9 . 1 1 42 42 SER HA H 42 4.370 4.370 4.263 0.107 19179 3531 1 9 . 1 1 42 42 SER C C 42 177.229 177.229 175.883 1.346 19179 3532 1 9 . 1 1 42 42 SER CA C 42 59.770 59.770 59.709 0.061 19179 3533 1 9 . 1 1 42 42 SER CB C 42 62.951 62.951 63.561 -0.610 19179 3534 1 9 . 1 1 42 42 SER H H 42 9.001 9.001 8.015 0.986 19179 3535 1 9 . 1 1 43 43 GLY N N 43 130.573 130.573 116.547 14.026 19179 3536 1 9 . 1 1 43 43 GLY C C 43 172.823 172.823 173.679 -0.856 19179 3537 1 9 . 1 1 43 43 GLY CA C 43 45.829 45.829 45.032 0.797 19179 3538 1 9 . 1 1 43 43 GLY H H 43 8.261 8.261 9.244 -0.983 19179 3539 1 9 . 1 1 44 44 ASP N N 44 120.029 120.029 119.418 0.611 19179 3540 1 9 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.910 -0.169 19179 3541 1 9 . 1 1 44 44 ASP C C 44 176.327 176.327 175.778 0.549 19179 3542 1 9 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.085 0.224 19179 3543 1 9 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.038 -0.971 19179 3544 1 9 . 1 1 44 44 ASP H H 44 8.583 8.583 7.729 0.854 19179 3545 1 9 . 1 1 45 45 ILE N N 45 129.584 129.584 121.600 7.984 19179 3546 1 9 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.901 -0.210 19179 3547 1 9 . 1 1 45 45 ILE C C 45 177.352 177.352 176.999 0.353 19179 3548 1 9 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.272 1.695 19179 3549 1 9 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.551 -0.738 19179 3550 1 9 . 1 1 45 45 ILE H H 45 8.589 8.589 8.318 0.271 19179 3551 1 9 . 1 1 46 46 SER N N 46 117.808 117.808 115.138 2.670 19179 3552 1 9 . 1 1 46 46 SER HA H 46 4.338 4.338 4.271 0.067 19179 3553 1 9 . 1 1 46 46 SER C C 46 177.116 177.116 176.487 0.629 19179 3554 1 9 . 1 1 46 46 SER CA C 46 61.744 61.744 61.064 0.680 19179 3555 1 9 . 1 1 46 46 SER CB C 46 62.502 62.502 62.187 0.315 19179 3556 1 9 . 1 1 46 46 SER H H 46 8.275 8.275 8.304 -0.029 19179 3557 1 9 . 1 1 47 47 GLU N N 47 121.839 121.839 122.116 -0.277 19179 3558 1 9 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.027 0.015 19179 3559 1 9 . 1 1 47 47 GLU C C 47 178.981 178.981 178.307 0.674 19179 3560 1 9 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.699 -0.281 19179 3561 1 9 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.488 -0.230 19179 3562 1 9 . 1 1 47 47 GLU H H 47 7.372 7.372 7.573 -0.201 19179 3563 1 9 . 1 1 48 48 ALA N N 48 122.935 122.935 120.583 2.352 19179 3564 1 9 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.073 -0.212 19179 3565 1 9 . 1 1 48 48 ALA C C 48 178.641 178.641 179.299 -0.658 19179 3566 1 9 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.200 0.125 19179 3567 1 9 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.220 -0.828 19179 3568 1 9 . 1 1 48 48 ALA H H 48 6.925 6.925 7.833 -0.908 19179 3569 1 9 . 1 1 49 49 GLU N N 49 118.249 118.249 119.804 -1.555 19179 3570 1 9 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.061 -0.448 19179 3571 1 9 . 1 1 49 49 GLU C C 49 177.879 177.879 178.875 -0.996 19179 3572 1 9 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.295 1.027 19179 3573 1 9 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.423 -0.555 19179 3574 1 9 . 1 1 49 49 GLU H H 49 8.288 8.288 7.670 0.618 19179 3575 1 9 . 1 1 50 50 GLU N N 50 117.450 117.450 120.696 -3.246 19179 3576 1 9 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.054 -0.132 19179 3577 1 9 . 1 1 50 50 GLU C C 50 179.532 179.532 179.153 0.379 19179 3578 1 9 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.601 0.152 19179 3579 1 9 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.332 -0.304 19179 3580 1 9 . 1 1 50 50 GLU H H 50 8.108 8.108 8.300 -0.192 19179 3581 1 9 . 1 1 51 51 LEU N N 51 120.169 120.169 120.080 0.089 19179 3582 1 9 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.077 0.230 19179 3583 1 9 . 1 1 51 51 LEU C C 51 178.285 178.285 178.700 -0.415 19179 3584 1 9 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.364 -0.926 19179 3585 1 9 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.264 -0.498 19179 3586 1 9 . 1 1 51 51 LEU H H 51 7.835 7.835 8.568 -0.733 19179 3587 1 9 . 1 1 52 52 ALA N N 52 121.167 121.167 121.894 -0.727 19179 3588 1 9 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.070 -0.275 19179 3589 1 9 . 1 1 52 52 ALA C C 52 178.611 178.611 179.522 -0.911 19179 3590 1 9 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.004 0.643 19179 3591 1 9 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.439 -0.263 19179 3592 1 9 . 1 1 52 52 ALA H H 52 8.286 8.286 8.064 0.222 19179 3593 1 9 . 1 1 53 53 ARG N N 53 115.092 115.092 119.496 -4.404 19179 3594 1 9 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.321 -0.594 19179 3595 1 9 . 1 1 53 53 ARG C C 53 179.136 179.136 178.357 0.779 19179 3596 1 9 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.719 0.889 19179 3597 1 9 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.279 -0.759 19179 3598 1 9 . 1 1 53 53 ARG H H 53 7.957 7.957 8.508 -0.551 19179 3599 1 9 . 1 1 54 54 GLU N N 54 122.263 122.263 118.225 4.038 19179 3600 1 9 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.033 0.031 19179 3601 1 9 . 1 1 54 54 GLU C C 54 179.159 179.159 178.689 0.470 19179 3602 1 9 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.318 1.101 19179 3603 1 9 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.292 0.596 19179 3604 1 9 . 1 1 54 54 GLU H H 54 8.089 8.089 8.104 -0.015 19179 3605 1 9 . 1 1 55 55 LYS N N 55 118.511 118.511 120.613 -2.102 19179 3606 1 9 . 1 1 55 55 LYS HA H 55 3.810 3.810 3.967 -0.157 19179 3607 1 9 . 1 1 55 55 LYS C C 55 179.078 179.078 178.440 0.638 19179 3608 1 9 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.640 0.170 19179 3609 1 9 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.486 0.257 19179 3610 1 9 . 1 1 55 55 LYS H H 55 9.118 9.118 8.118 1.000 19179 3611 1 9 . 1 1 56 56 PHE N N 56 119.918 119.918 116.073 3.845 19179 3612 1 9 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.440 -0.578 19179 3613 1 9 . 1 1 56 56 PHE H H 56 8.456 8.456 8.342 0.114 19179 3614 1 9 . 1 1 57 57 GLU N N 57 121.819 121.819 121.680 0.139 19179 3615 1 9 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.663 0.465 19179 3616 1 9 . 1 1 57 57 GLU C C 57 177.889 177.889 177.505 0.384 19179 3617 1 9 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.279 0.959 19179 3618 1 9 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.984 0.499 19179 3619 1 9 . 1 1 57 57 GLU H H 57 8.153 8.153 7.328 0.825 19179 3620 1 9 . 1 1 58 58 LYS N N 58 115.784 115.784 117.038 -1.254 19179 3621 1 9 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.182 0.085 19179 3622 1 9 . 1 1 58 58 LYS C C 58 176.710 176.710 176.754 -0.044 19179 3623 1 9 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.346 0.396 19179 3624 1 9 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.972 0.055 19179 3625 1 9 . 1 1 58 58 LYS H H 58 7.684 7.684 7.539 0.145 19179 3626 1 9 . 1 1 59 59 GLY N N 59 130.075 130.075 110.249 19.826 19179 3627 1 9 . 1 1 59 59 GLY C C 59 175.969 175.969 173.509 2.460 19179 3628 1 9 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.751 1.579 19179 3629 1 9 . 1 1 59 59 GLY H H 59 7.644 7.644 7.885 -0.241 19179 3630 1 9 . 1 1 60 60 GLU N N 60 117.714 117.714 122.529 -4.815 19179 3631 1 9 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.253 0.086 19179 3632 1 9 . 1 1 60 60 GLU C C 60 175.359 175.359 176.627 -1.268 19179 3633 1 9 . 1 1 60 60 GLU CA C 60 55.533 55.533 57.034 -1.501 19179 3634 1 9 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.391 -0.035 19179 3635 1 9 . 1 1 60 60 GLU H H 60 8.008 8.008 8.206 -0.198 19179 3636 1 9 . 1 1 61 61 VAL N N 61 120.144 120.144 118.380 1.764 19179 3637 1 9 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.230 0.292 19179 3638 1 9 . 1 1 61 61 VAL C C 61 176.175 176.175 176.284 -0.109 19179 3639 1 9 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.779 -0.512 19179 3640 1 9 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.885 0.801 19179 3641 1 9 . 1 1 61 61 VAL H H 61 7.745 7.745 8.265 -0.520 19179 3642 1 9 . 1 1 62 62 SER N N 62 126.283 126.283 121.886 4.397 19179 3643 1 9 . 1 1 62 62 SER HA H 62 4.644 4.644 4.107 0.537 19179 3644 1 9 . 1 1 62 62 SER C C 62 176.781 176.781 174.366 2.415 19179 3645 1 9 . 1 1 62 62 SER CA C 62 60.796 60.796 60.313 0.483 19179 3646 1 9 . 1 1 62 62 SER CB C 62 65.061 65.061 63.547 1.514 19179 3647 1 9 . 1 1 62 62 SER H H 62 11.396 11.396 8.992 2.404 19179 3648 1 9 . 1 1 63 63 ASN N N 63 118.526 118.526 117.919 0.607 19179 3649 1 9 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.363 0.369 19179 3650 1 9 . 1 1 63 63 ASN C C 63 172.632 172.632 173.708 -1.076 19179 3651 1 9 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.272 2.314 19179 3652 1 9 . 1 1 63 63 ASN CB C 63 39.772 39.772 39.333 0.439 19179 3653 1 9 . 1 1 63 63 ASN H H 63 10.333 10.333 7.888 2.445 19179 3654 1 9 . 1 1 64 64 PHE N N 64 112.992 112.992 117.833 -4.841 19179 3655 1 9 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.701 0.165 19179 3656 1 9 . 1 1 64 64 PHE C C 64 174.310 174.310 175.134 -0.824 19179 3657 1 9 . 1 1 64 64 PHE CA C 64 56.626 56.626 57.834 -1.208 19179 3658 1 9 . 1 1 64 64 PHE CB C 64 42.883 42.883 40.176 2.707 19179 3659 1 9 . 1 1 64 64 PHE H H 64 6.971 6.971 8.264 -1.293 19179 3660 1 9 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.680 0.208 19179 3661 1 9 . 1 1 65 65 ASP C C 65 175.049 175.049 174.067 0.982 19179 3662 1 9 . 1 1 65 65 ASP CA C 65 53.647 53.647 53.517 0.130 19179 3663 1 9 . 1 1 65 65 ASP CB C 65 41.367 41.367 43.744 -2.377 19179 3664 1 9 . 1 1 66 66 ASP N N 66 119.568 119.568 119.725 -0.157 19179 3665 1 9 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.824 0.037 19179 3666 1 9 . 1 1 66 66 ASP C C 66 175.858 175.858 175.545 0.313 19179 3667 1 9 . 1 1 66 66 ASP CA C 66 52.663 52.663 52.779 -0.116 19179 3668 1 9 . 1 1 66 66 ASP CB C 66 44.261 44.261 44.044 0.217 19179 3669 1 9 . 1 1 66 66 ASP H H 66 7.413 7.413 8.159 -0.746 19179 3670 1 9 . 1 1 67 67 VAL N N 67 127.826 127.826 122.591 5.235 19179 3671 1 9 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.855 -0.873 19179 3672 1 9 . 1 1 67 67 VAL C C 67 175.173 175.173 176.729 -1.556 19179 3673 1 9 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.843 -1.632 19179 3674 1 9 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.567 -1.719 19179 3675 1 9 . 1 1 67 67 VAL H H 67 8.298 8.298 8.525 -0.227 19179 3676 1 9 . 1 1 68 68 GLU N N 68 120.580 120.580 119.549 1.031 19179 3677 1 9 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.032 0.017 19179 3678 1 9 . 1 1 68 68 GLU C C 68 180.052 180.052 178.718 1.334 19179 3679 1 9 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.929 -2.071 19179 3680 1 9 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.910 -1.506 19179 3681 1 9 . 1 1 68 68 GLU H H 68 7.909 7.909 8.657 -0.748 19179 3682 1 9 . 1 1 69 69 GLU N N 69 121.347 121.347 118.811 2.536 19179 3683 1 9 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.099 -0.167 19179 3684 1 9 . 1 1 69 69 GLU C C 69 179.095 179.095 178.862 0.233 19179 3685 1 9 . 1 1 69 69 GLU CA C 69 58.987 58.987 59.051 -0.064 19179 3686 1 9 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.181 0.339 19179 3687 1 9 . 1 1 69 69 GLU H H 69 7.669 7.669 8.484 -0.815 19179 3688 1 9 . 1 1 70 70 LEU N N 70 120.330 120.330 120.345 -0.015 19179 3689 1 9 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.948 -1.003 19179 3690 1 9 . 1 1 70 70 LEU C C 70 177.014 177.014 179.364 -2.350 19179 3691 1 9 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.061 -0.582 19179 3692 1 9 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.167 -0.923 19179 3693 1 9 . 1 1 70 70 LEU H H 70 7.184 7.184 8.208 -1.024 19179 3694 1 9 . 1 1 71 71 VAL N N 71 118.625 118.625 114.551 4.074 19179 3695 1 9 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.717 -0.647 19179 3696 1 9 . 1 1 71 71 VAL C C 71 177.049 177.049 177.680 -0.631 19179 3697 1 9 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.483 1.405 19179 3698 1 9 . 1 1 71 71 VAL CB C 71 31.395 31.395 31.006 0.389 19179 3699 1 9 . 1 1 71 71 VAL H H 71 8.262 8.262 8.537 -0.275 19179 3700 1 9 . 1 1 72 72 LYS N N 72 116.770 116.770 120.838 -4.068 19179 3701 1 9 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.981 -0.144 19179 3702 1 9 . 1 1 72 72 LYS C C 72 179.439 179.439 178.663 0.776 19179 3703 1 9 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.533 0.421 19179 3704 1 9 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.950 0.669 19179 3705 1 9 . 1 1 72 72 LYS H H 72 7.791 7.791 8.007 -0.216 19179 3706 1 9 . 1 1 73 73 LYS N N 73 121.221 121.221 119.122 2.099 19179 3707 1 9 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.084 0.132 19179 3708 1 9 . 1 1 73 73 LYS C C 73 177.539 177.539 179.121 -1.582 19179 3709 1 9 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.410 -2.087 19179 3710 1 9 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.304 -0.398 19179 3711 1 9 . 1 1 73 73 LYS H H 73 7.796 7.796 8.150 -0.354 19179 3712 1 9 . 1 1 74 74 VAL N N 74 119.691 119.691 121.613 -1.922 19179 3713 1 9 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.720 -0.305 19179 3714 1 9 . 1 1 74 74 VAL C C 74 177.638 177.638 177.514 0.124 19179 3715 1 9 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.157 -0.294 19179 3716 1 9 . 1 1 74 74 VAL H H 74 8.445 8.445 8.073 0.372 19179 3717 1 9 . 1 1 75 75 VAL N N 75 120.095 120.095 119.712 0.383 19179 3718 1 9 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.646 -0.294 19179 3719 1 9 . 1 1 75 75 VAL C C 75 177.621 177.621 177.472 0.149 19179 3720 1 9 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.750 2.009 19179 3721 1 9 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.494 -2.338 19179 3722 1 9 . 1 1 75 75 VAL H H 75 8.521 8.521 8.517 0.004 19179 3723 1 9 . 1 1 76 76 ALA N N 76 120.276 120.276 123.063 -2.787 19179 3724 1 9 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.032 0.159 19179 3725 1 9 . 1 1 76 76 ALA C C 76 181.968 181.968 179.571 2.397 19179 3726 1 9 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.652 -0.171 19179 3727 1 9 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.146 0.249 19179 3728 1 9 . 1 1 76 76 ALA H H 76 7.839 7.839 8.395 -0.556 19179 3729 1 9 . 1 1 77 77 VAL N N 77 114.746 114.746 119.763 -5.017 19179 3730 1 9 . 1 1 77 77 VAL HA H 77 4.018 4.018 4.097 -0.079 19179 3731 1 9 . 1 1 77 77 VAL C C 77 178.133 178.133 178.119 0.014 19179 3732 1 9 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.348 0.182 19179 3733 1 9 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.305 -0.362 19179 3734 1 9 . 1 1 77 77 VAL H H 77 8.662 8.662 8.188 0.474 19179 3735 1 9 . 1 1 78 78 CYS N N 78 119.096 119.096 118.834 0.262 19179 3736 1 9 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.924 0.067 19179 3737 1 9 . 1 1 78 78 CYS C C 78 177.621 177.621 176.531 1.090 19179 3738 1 9 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.219 1.557 19179 3739 1 9 . 1 1 78 78 CYS CB C 78 27.340 27.340 26.450 0.890 19179 3740 1 9 . 1 1 78 78 CYS H H 78 7.740 7.740 8.427 -0.687 19179 3741 1 9 . 1 1 79 79 GLU N N 79 118.797 118.797 119.492 -0.695 19179 3742 1 9 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.203 -0.167 19179 3743 1 9 . 1 1 79 79 GLU C C 79 179.135 179.135 178.840 0.295 19179 3744 1 9 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.359 0.541 19179 3745 1 9 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.488 0.223 19179 3746 1 9 . 1 1 79 79 GLU H H 79 8.106 8.106 8.225 -0.119 19179 3747 1 9 . 1 1 80 80 GLU N N 80 119.483 119.483 119.286 0.197 19179 3748 1 9 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.149 -0.528 19179 3749 1 9 . 1 1 80 80 GLU C C 80 177.433 177.433 178.098 -0.665 19179 3750 1 9 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.392 0.320 19179 3751 1 9 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.797 0.861 19179 3752 1 9 . 1 1 80 80 GLU H H 80 8.167 8.167 8.230 -0.063 19179 3753 1 9 . 1 1 81 81 LEU N N 81 117.475 117.475 117.803 -0.328 19179 3754 1 9 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.260 0.392 19179 3755 1 9 . 1 1 81 81 LEU C C 81 177.355 177.355 177.308 0.047 19179 3756 1 9 . 1 1 81 81 LEU CA C 81 54.409 54.409 55.179 -0.770 19179 3757 1 9 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.185 -0.732 19179 3758 1 9 . 1 1 81 81 LEU H H 81 8.145 8.145 7.664 0.481 19179 3759 1 9 . 1 1 82 82 GLY N N 82 127.998 127.998 107.196 20.802 19179 3760 1 9 . 1 1 82 82 GLY C C 82 175.024 175.024 173.980 1.044 19179 3761 1 9 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.779 1.860 19179 3762 1 9 . 1 1 82 82 GLY H H 82 7.218 7.218 7.376 -0.158 19179 3763 1 9 . 1 1 83 83 ALA N N 83 126.068 126.068 121.097 4.971 19179 3764 1 9 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.664 -0.163 19179 3765 1 9 . 1 1 83 83 ALA C C 83 177.567 177.567 175.880 1.687 19179 3766 1 9 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.029 1.075 19179 3767 1 9 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.466 -0.892 19179 3768 1 9 . 1 1 83 83 ALA H H 83 8.202 8.202 7.559 0.643 19179 3769 1 9 . 1 1 84 84 GLU N N 84 118.661 118.661 122.185 -3.524 19179 3770 1 9 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.781 -0.529 19179 3771 1 9 . 1 1 84 84 GLU C C 84 175.915 175.915 175.365 0.550 19179 3772 1 9 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.964 2.707 19179 3773 1 9 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.254 -0.588 19179 3774 1 9 . 1 1 84 84 GLU H H 84 9.004 9.004 8.983 0.021 19179 3775 1 9 . 1 1 85 85 GLU N N 85 111.162 111.162 117.085 -5.923 19179 3776 1 9 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.293 -0.412 19179 3777 1 9 . 1 1 85 85 GLU C C 85 173.815 173.815 174.276 -0.461 19179 3778 1 9 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.411 -2.754 19179 3779 1 9 . 1 1 85 85 GLU CB C 85 32.364 32.364 33.425 -1.061 19179 3780 1 9 . 1 1 85 85 GLU H H 85 7.318 7.318 8.361 -1.043 19179 3781 1 9 . 1 1 86 86 CYS N N 86 122.106 122.106 122.747 -0.641 19179 3782 1 9 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.712 -0.634 19179 3783 1 9 . 1 1 86 86 CYS C C 86 177.088 177.088 176.161 0.927 19179 3784 1 9 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.290 2.180 19179 3785 1 9 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.470 4.971 19179 3786 1 9 . 1 1 86 86 CYS H H 86 8.035 8.035 8.764 -0.729 19179 3787 1 9 . 1 1 87 87 PHE N N 87 129.406 129.406 127.947 1.459 19179 3788 1 9 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.233 0.259 19179 3789 1 9 . 1 1 87 87 PHE C C 87 176.921 176.921 176.200 0.721 19179 3790 1 9 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.304 0.293 19179 3791 1 9 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.053 0.886 19179 3792 1 9 . 1 1 87 87 PHE H H 87 8.292 8.292 8.370 -0.078 19179 3793 1 9 . 1 1 88 88 SER N N 88 118.356 118.356 115.925 2.431 19179 3794 1 9 . 1 1 88 88 SER HA H 88 4.131 4.131 3.777 0.354 19179 3795 1 9 . 1 1 88 88 SER C C 88 174.940 174.940 175.342 -0.402 19179 3796 1 9 . 1 1 88 88 SER CA C 88 60.832 60.832 60.694 0.138 19179 3797 1 9 . 1 1 88 88 SER CB C 88 62.143 62.143 62.167 -0.024 19179 3798 1 9 . 1 1 88 88 SER H H 88 8.436 8.436 7.315 1.121 19179 3799 1 9 . 1 1 89 89 CYS N N 89 125.476 125.476 118.136 7.340 19179 3800 1 9 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.411 -0.298 19179 3801 1 9 . 1 1 89 89 CYS C C 89 174.660 174.660 176.037 -1.377 19179 3802 1 9 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.221 2.542 19179 3803 1 9 . 1 1 89 89 CYS CB C 89 30.435 30.435 27.133 3.302 19179 3804 1 9 . 1 1 89 89 CYS H H 89 7.699 7.699 7.747 -0.048 19179 3805 1 9 . 1 1 90 90 ASP N N 90 119.756 119.756 118.248 1.508 19179 3806 1 9 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.648 -0.131 19179 3807 1 9 . 1 1 90 90 ASP C C 90 175.429 175.429 175.721 -0.292 19179 3808 1 9 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.355 -0.313 19179 3809 1 9 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.651 0.356 19179 3810 1 9 . 1 1 90 90 ASP H H 90 7.569 7.569 8.087 -0.518 19179 3811 1 9 . 1 1 91 91 PHE N N 91 120.531 120.531 120.688 -0.157 19179 3812 1 9 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.505 0.124 19179 3813 1 9 . 1 1 91 91 PHE C C 91 174.893 174.893 173.735 1.158 19179 3814 1 9 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.732 -1.472 19179 3815 1 9 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.340 -0.795 19179 3816 1 9 . 1 1 91 91 PHE H H 91 7.910 7.910 7.438 0.472 19179 3817 1 10 . 1 1 17 17 GLU C C 17 178.498 178.498 177.395 1.103 19179 3818 1 10 . 1 1 18 18 ALA N N 18 117.689 117.689 123.782 -6.093 19179 3819 1 10 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.230 0.144 19179 3820 1 10 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.970 -0.545 19179 3821 1 10 . 1 1 18 18 ALA H H 18 8.085 8.085 9.010 -0.925 19179 3822 1 10 . 1 1 19 19 VAL C C 19 177.450 177.450 177.327 0.123 19179 3823 1 10 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.104 0.708 19179 3824 1 10 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.303 -0.034 19179 3825 1 10 . 1 1 20 20 TYR N N 20 116.865 116.865 118.605 -1.740 19179 3826 1 10 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.273 -0.148 19179 3827 1 10 . 1 1 20 20 TYR C C 20 179.914 179.914 178.599 1.315 19179 3828 1 10 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.601 2.729 19179 3829 1 10 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.665 -0.483 19179 3830 1 10 . 1 1 20 20 TYR H H 20 8.138 8.138 8.238 -0.100 19179 3831 1 10 . 1 1 21 21 ILE N N 21 122.973 122.973 119.305 3.668 19179 3832 1 10 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.598 0.060 19179 3833 1 10 . 1 1 21 21 ILE C C 21 176.306 176.306 177.479 -1.173 19179 3834 1 10 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.990 2.109 19179 3835 1 10 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.913 -0.027 19179 3836 1 10 . 1 1 21 21 ILE H H 21 8.112 8.112 8.350 -0.238 19179 3837 1 10 . 1 1 22 22 ALA N N 22 122.302 122.302 121.750 0.552 19179 3838 1 10 . 1 1 22 22 ALA HA H 22 3.847 3.847 3.967 -0.120 19179 3839 1 10 . 1 1 22 22 ALA C C 22 179.987 179.987 179.043 0.944 19179 3840 1 10 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.060 0.124 19179 3841 1 10 . 1 1 22 22 ALA CB C 22 18.934 18.934 19.097 -0.163 19179 3842 1 10 . 1 1 22 22 ALA H H 22 7.839 7.839 8.355 -0.516 19179 3843 1 10 . 1 1 23 23 ILE N N 23 119.408 119.408 111.809 7.599 19179 3844 1 10 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.188 0.182 19179 3845 1 10 . 1 1 23 23 ILE C C 23 180.184 180.184 176.626 3.558 19179 3846 1 10 . 1 1 23 23 ILE CA C 23 63.705 63.705 62.798 0.907 19179 3847 1 10 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.659 -0.317 19179 3848 1 10 . 1 1 23 23 ILE H H 23 8.328 8.328 8.053 0.275 19179 3849 1 10 . 1 1 24 24 GLU N N 24 125.684 125.684 119.110 6.574 19179 3850 1 10 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.368 -0.480 19179 3851 1 10 . 1 1 24 24 GLU C C 24 178.861 178.861 177.184 1.677 19179 3852 1 10 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.463 -3.875 19179 3853 1 10 . 1 1 24 24 GLU CB C 24 29.086 29.086 30.098 -1.012 19179 3854 1 10 . 1 1 24 24 GLU H H 24 8.344 8.344 8.126 0.218 19179 3855 1 10 . 1 1 25 25 ALA N N 25 117.589 117.589 121.714 -4.125 19179 3856 1 10 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.211 -0.019 19179 3857 1 10 . 1 1 25 25 ALA C C 25 177.866 177.866 176.674 1.192 19179 3858 1 10 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.928 -0.468 19179 3859 1 10 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.066 0.265 19179 3860 1 10 . 1 1 25 25 ALA H H 25 8.228 8.228 7.750 0.478 19179 3861 1 10 . 1 1 26 26 GLY N N 26 129.923 129.923 102.624 27.299 19179 3862 1 10 . 1 1 26 26 GLY C C 26 173.535 173.535 174.878 -1.343 19179 3863 1 10 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.859 -0.072 19179 3864 1 10 . 1 1 26 26 GLY H H 26 8.189 8.189 7.670 0.519 19179 3865 1 10 . 1 1 27 27 THR N N 27 119.446 119.446 116.260 3.186 19179 3866 1 10 . 1 1 27 27 THR HA H 27 4.445 4.445 4.371 0.074 19179 3867 1 10 . 1 1 27 27 THR C C 27 176.521 176.521 174.303 2.218 19179 3868 1 10 . 1 1 27 27 THR CA C 27 66.568 66.568 64.279 2.289 19179 3869 1 10 . 1 1 27 27 THR CB C 27 51.731 51.731 70.097 -18.366 19179 3870 1 10 . 1 1 27 27 THR H H 27 7.919 7.919 7.664 0.255 19179 3871 1 10 . 1 1 28 28 LEU N N 28 119.632 119.632 119.138 0.494 19179 3872 1 10 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.415 0.598 19179 3873 1 10 . 1 1 28 28 LEU C C 28 173.798 173.798 174.342 -0.544 19179 3874 1 10 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.303 -1.303 19179 3875 1 10 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.778 2.043 19179 3876 1 10 . 1 1 28 28 LEU H H 28 7.026 7.026 7.381 -0.355 19179 3877 1 10 . 1 1 29 29 ALA N N 29 121.053 121.053 119.925 1.128 19179 3878 1 10 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.465 -0.073 19179 3879 1 10 . 1 1 29 29 ALA C C 29 173.471 173.471 173.929 -0.458 19179 3880 1 10 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.061 0.622 19179 3881 1 10 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.792 1.178 19179 3882 1 10 . 1 1 29 29 ALA H H 29 8.856 8.856 7.914 0.942 19179 3883 1 10 . 1 1 30 30 GLU N N 30 119.234 119.234 118.847 0.387 19179 3884 1 10 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.388 0.411 19179 3885 1 10 . 1 1 30 30 GLU C C 30 176.292 176.292 174.726 1.566 19179 3886 1 10 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.363 -0.902 19179 3887 1 10 . 1 1 30 30 GLU CB C 30 33.135 33.135 30.964 2.171 19179 3888 1 10 . 1 1 30 30 GLU H H 30 8.244 8.244 8.098 0.146 19179 3889 1 10 . 1 1 31 31 CYS N N 31 129.774 129.774 123.028 6.746 19179 3890 1 10 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.442 -0.130 19179 3891 1 10 . 1 1 31 31 CYS C C 31 175.519 175.519 176.997 -1.478 19179 3892 1 10 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.357 1.187 19179 3893 1 10 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.596 0.992 19179 3894 1 10 . 1 1 31 31 CYS H H 31 8.586 8.586 8.800 -0.214 19179 3895 1 10 . 1 1 32 32 GLU N N 32 126.867 126.867 126.854 0.013 19179 3896 1 10 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.176 -0.087 19179 3897 1 10 . 1 1 32 32 GLU C C 32 177.061 177.061 176.115 0.946 19179 3898 1 10 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.566 0.162 19179 3899 1 10 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.721 0.712 19179 3900 1 10 . 1 1 32 32 GLU H H 32 8.756 8.756 8.947 -0.191 19179 3901 1 10 . 1 1 33 33 VAL N N 33 122.528 122.528 115.661 6.867 19179 3902 1 10 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.181 -0.363 19179 3903 1 10 . 1 1 33 33 VAL C C 33 176.434 176.434 174.920 1.514 19179 3904 1 10 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.968 2.164 19179 3905 1 10 . 1 1 33 33 VAL CB C 33 33.744 33.744 33.081 0.663 19179 3906 1 10 . 1 1 33 33 VAL H H 33 8.935 8.935 7.843 1.092 19179 3907 1 10 . 1 1 34 34 HIS N N 34 126.015 126.015 119.951 6.064 19179 3908 1 10 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.876 -0.301 19179 3909 1 10 . 1 1 34 34 HIS C C 34 173.077 173.077 174.021 -0.944 19179 3910 1 10 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.672 2.963 19179 3911 1 10 . 1 1 34 34 HIS CB C 34 28.789 28.789 28.971 -0.183 19179 3912 1 10 . 1 1 34 34 HIS H H 34 8.834 8.834 7.717 1.117 19179 3913 1 10 . 1 1 35 35 GLU N N 35 122.059 122.059 125.814 -3.755 19179 3914 1 10 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.258 -0.161 19179 3915 1 10 . 1 1 35 35 GLU C C 35 178.839 178.839 177.317 1.522 19179 3916 1 10 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.419 0.649 19179 3917 1 10 . 1 1 35 35 GLU CB C 35 29.733 29.733 30.154 -0.421 19179 3918 1 10 . 1 1 35 35 GLU H H 35 7.643 7.643 8.871 -1.228 19179 3919 1 10 . 1 1 36 36 GLY N N 36 114.969 114.969 115.182 -0.213 19179 3920 1 10 . 1 1 36 36 GLY C C 36 173.165 173.165 174.380 -1.215 19179 3921 1 10 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.183 -0.197 19179 3922 1 10 . 1 1 36 36 GLY H H 36 10.615 10.615 8.889 1.726 19179 3923 1 10 . 1 1 37 37 THR N N 37 116.476 116.476 118.716 -2.240 19179 3924 1 10 . 1 1 37 37 THR HA H 37 4.466 4.466 4.610 -0.144 19179 3925 1 10 . 1 1 37 37 THR C C 37 172.121 172.121 173.349 -1.228 19179 3926 1 10 . 1 1 37 37 THR CA C 37 62.490 62.490 62.632 -0.142 19179 3927 1 10 . 1 1 37 37 THR CB C 37 68.752 68.752 69.348 -0.596 19179 3928 1 10 . 1 1 37 37 THR H H 37 7.669 7.669 7.654 0.015 19179 3929 1 10 . 1 1 38 38 TYR N N 38 124.951 124.951 122.977 1.974 19179 3930 1 10 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.642 0.993 19179 3931 1 10 . 1 1 38 38 TYR C C 38 174.538 174.538 173.994 0.544 19179 3932 1 10 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.632 -1.631 19179 3933 1 10 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.383 -0.772 19179 3934 1 10 . 1 1 38 38 TYR H H 38 8.622 8.622 8.593 0.029 19179 3935 1 10 . 1 1 39 39 PHE N N 39 115.194 115.194 115.066 0.128 19179 3936 1 10 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.927 0.157 19179 3937 1 10 . 1 1 39 39 PHE C C 39 173.379 173.379 172.517 0.862 19179 3938 1 10 . 1 1 39 39 PHE CA C 39 55.938 55.938 58.068 -2.130 19179 3939 1 10 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.285 -1.065 19179 3940 1 10 . 1 1 39 39 PHE H H 39 8.483 8.483 8.966 -0.483 19179 3941 1 10 . 1 1 40 40 SER N N 40 114.429 114.429 120.844 -6.415 19179 3942 1 10 . 1 1 40 40 SER HA H 40 4.341 4.341 4.528 -0.187 19179 3943 1 10 . 1 1 40 40 SER C C 40 173.355 173.355 174.623 -1.268 19179 3944 1 10 . 1 1 40 40 SER CA C 40 60.726 60.726 57.889 2.837 19179 3945 1 10 . 1 1 40 40 SER CB C 40 63.544 63.544 64.567 -1.023 19179 3946 1 10 . 1 1 40 40 SER H H 40 9.519 9.519 8.515 1.004 19179 3947 1 10 . 1 1 41 41 ASP N N 41 125.551 125.551 124.104 1.447 19179 3948 1 10 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.482 0.431 19179 3949 1 10 . 1 1 41 41 ASP C C 41 176.230 176.230 176.173 0.057 19179 3950 1 10 . 1 1 41 41 ASP CA C 41 53.739 53.739 54.742 -1.003 19179 3951 1 10 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.174 -0.449 19179 3952 1 10 . 1 1 41 41 ASP H H 41 8.431 8.431 8.663 -0.232 19179 3953 1 10 . 1 1 42 42 SER N N 42 114.674 114.674 118.709 -4.035 19179 3954 1 10 . 1 1 42 42 SER HA H 42 4.370 4.370 4.357 0.013 19179 3955 1 10 . 1 1 42 42 SER C C 42 177.229 177.229 175.916 1.313 19179 3956 1 10 . 1 1 42 42 SER CA C 42 59.770 59.770 59.561 0.209 19179 3957 1 10 . 1 1 42 42 SER CB C 42 62.951 62.951 63.515 -0.564 19179 3958 1 10 . 1 1 42 42 SER H H 42 9.001 9.001 8.110 0.891 19179 3959 1 10 . 1 1 43 43 GLY N N 43 130.573 130.573 116.211 14.362 19179 3960 1 10 . 1 1 43 43 GLY C C 43 172.823 172.823 173.801 -0.978 19179 3961 1 10 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.918 0.911 19179 3962 1 10 . 1 1 43 43 GLY H H 43 8.261 8.261 8.876 -0.615 19179 3963 1 10 . 1 1 44 44 ASP N N 44 120.029 120.029 121.134 -1.105 19179 3964 1 10 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.981 -0.240 19179 3965 1 10 . 1 1 44 44 ASP C C 44 176.327 176.327 175.092 1.235 19179 3966 1 10 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.403 -0.094 19179 3967 1 10 . 1 1 44 44 ASP CB C 44 40.067 40.067 42.005 -1.938 19179 3968 1 10 . 1 1 44 44 ASP H H 44 8.583 8.583 7.843 0.740 19179 3969 1 10 . 1 1 45 45 ILE N N 45 129.584 129.584 122.197 7.387 19179 3970 1 10 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.956 -0.265 19179 3971 1 10 . 1 1 45 45 ILE C C 45 177.352 177.352 178.032 -0.680 19179 3972 1 10 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.887 1.080 19179 3973 1 10 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.291 -0.478 19179 3974 1 10 . 1 1 45 45 ILE H H 45 8.589 8.589 8.407 0.182 19179 3975 1 10 . 1 1 46 46 SER N N 46 117.808 117.808 115.375 2.433 19179 3976 1 10 . 1 1 46 46 SER HA H 46 4.338 4.338 4.193 0.145 19179 3977 1 10 . 1 1 46 46 SER C C 46 177.116 177.116 175.887 1.229 19179 3978 1 10 . 1 1 46 46 SER CA C 46 61.744 61.744 61.337 0.407 19179 3979 1 10 . 1 1 46 46 SER CB C 46 62.502 62.502 62.575 -0.073 19179 3980 1 10 . 1 1 46 46 SER H H 46 8.275 8.275 8.325 -0.050 19179 3981 1 10 . 1 1 47 47 GLU N N 47 121.839 121.839 122.969 -1.130 19179 3982 1 10 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.071 -0.029 19179 3983 1 10 . 1 1 47 47 GLU C C 47 178.981 178.981 177.619 1.362 19179 3984 1 10 . 1 1 47 47 GLU CA C 47 59.418 59.418 58.458 0.960 19179 3985 1 10 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.150 0.108 19179 3986 1 10 . 1 1 47 47 GLU H H 47 7.372 7.372 8.385 -1.013 19179 3987 1 10 . 1 1 48 48 ALA N N 48 122.935 122.935 121.367 1.568 19179 3988 1 10 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.097 -0.236 19179 3989 1 10 . 1 1 48 48 ALA C C 48 178.641 178.641 179.416 -0.775 19179 3990 1 10 . 1 1 48 48 ALA CA C 48 55.325 55.325 54.981 0.344 19179 3991 1 10 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.549 -1.157 19179 3992 1 10 . 1 1 48 48 ALA H H 48 6.925 6.925 7.585 -0.660 19179 3993 1 10 . 1 1 49 49 GLU N N 49 118.249 118.249 118.725 -0.476 19179 3994 1 10 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.051 -0.438 19179 3995 1 10 . 1 1 49 49 GLU C C 49 177.879 177.879 178.419 -0.540 19179 3996 1 10 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.005 1.317 19179 3997 1 10 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.227 -0.359 19179 3998 1 10 . 1 1 49 49 GLU H H 49 8.288 8.288 7.875 0.413 19179 3999 1 10 . 1 1 50 50 GLU N N 50 117.450 117.450 121.744 -4.294 19179 4000 1 10 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.148 -0.226 19179 4001 1 10 . 1 1 50 50 GLU C C 50 179.532 179.532 178.973 0.559 19179 4002 1 10 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.159 0.594 19179 4003 1 10 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.981 -0.953 19179 4004 1 10 . 1 1 50 50 GLU H H 50 8.108 8.108 8.055 0.053 19179 4005 1 10 . 1 1 51 51 LEU N N 51 120.169 120.169 119.047 1.122 19179 4006 1 10 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.255 0.052 19179 4007 1 10 . 1 1 51 51 LEU C C 51 178.285 178.285 178.758 -0.473 19179 4008 1 10 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.119 -0.681 19179 4009 1 10 . 1 1 51 51 LEU CB C 51 40.766 40.766 40.628 0.138 19179 4010 1 10 . 1 1 51 51 LEU H H 51 7.835 7.835 8.518 -0.683 19179 4011 1 10 . 1 1 52 52 ALA N N 52 121.167 121.167 124.167 -3.000 19179 4012 1 10 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.080 -0.285 19179 4013 1 10 . 1 1 52 52 ALA C C 52 178.611 178.611 179.384 -0.773 19179 4014 1 10 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.097 0.550 19179 4015 1 10 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.714 -0.538 19179 4016 1 10 . 1 1 52 52 ALA H H 52 8.286 8.286 7.990 0.296 19179 4017 1 10 . 1 1 53 53 ARG N N 53 115.092 115.092 119.749 -4.657 19179 4018 1 10 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.113 -0.386 19179 4019 1 10 . 1 1 53 53 ARG C C 53 179.136 179.136 178.520 0.616 19179 4020 1 10 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.020 1.588 19179 4021 1 10 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.926 -0.406 19179 4022 1 10 . 1 1 53 53 ARG H H 53 7.957 7.957 8.526 -0.569 19179 4023 1 10 . 1 1 54 54 GLU N N 54 122.263 122.263 120.046 2.217 19179 4024 1 10 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.087 -0.023 19179 4025 1 10 . 1 1 54 54 GLU C C 54 179.159 179.159 178.512 0.647 19179 4026 1 10 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.055 0.363 19179 4027 1 10 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.327 0.561 19179 4028 1 10 . 1 1 54 54 GLU H H 54 8.089 8.089 8.376 -0.287 19179 4029 1 10 . 1 1 55 55 LYS N N 55 118.511 118.511 120.115 -1.604 19179 4030 1 10 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.052 -0.242 19179 4031 1 10 . 1 1 55 55 LYS C C 55 179.078 179.078 179.405 -0.327 19179 4032 1 10 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.155 0.655 19179 4033 1 10 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.049 0.694 19179 4034 1 10 . 1 1 55 55 LYS H H 55 9.118 9.118 8.232 0.886 19179 4035 1 10 . 1 1 56 56 PHE N N 56 119.918 119.918 119.710 0.208 19179 4036 1 10 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.428 -0.566 19179 4037 1 10 . 1 1 56 56 PHE H H 56 8.456 8.456 8.933 -0.477 19179 4038 1 10 . 1 1 57 57 GLU N N 57 121.819 121.819 121.008 0.811 19179 4039 1 10 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.248 -0.120 19179 4040 1 10 . 1 1 57 57 GLU C C 57 177.889 177.889 178.226 -0.337 19179 4041 1 10 . 1 1 57 57 GLU CA C 57 59.238 59.238 59.300 -0.062 19179 4042 1 10 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.170 0.313 19179 4043 1 10 . 1 1 57 57 GLU H H 57 8.153 8.153 8.533 -0.380 19179 4044 1 10 . 1 1 58 58 LYS N N 58 115.784 115.784 119.395 -3.611 19179 4045 1 10 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.278 -0.011 19179 4046 1 10 . 1 1 58 58 LYS C C 58 176.710 176.710 175.971 0.739 19179 4047 1 10 . 1 1 58 58 LYS CA C 58 56.742 56.742 54.950 1.792 19179 4048 1 10 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.236 0.791 19179 4049 1 10 . 1 1 58 58 LYS H H 58 7.684 7.684 7.571 0.113 19179 4050 1 10 . 1 1 59 59 GLY N N 59 130.075 130.075 107.964 22.111 19179 4051 1 10 . 1 1 59 59 GLY C C 59 175.969 175.969 172.915 3.054 19179 4052 1 10 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.215 1.115 19179 4053 1 10 . 1 1 59 59 GLY H H 59 7.644 7.644 8.173 -0.529 19179 4054 1 10 . 1 1 60 60 GLU N N 60 117.714 117.714 119.480 -1.766 19179 4055 1 10 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.852 -0.513 19179 4056 1 10 . 1 1 60 60 GLU C C 60 175.359 175.359 175.184 0.175 19179 4057 1 10 . 1 1 60 60 GLU CA C 60 55.533 55.533 54.841 0.692 19179 4058 1 10 . 1 1 60 60 GLU CB C 60 30.356 30.356 31.010 -0.654 19179 4059 1 10 . 1 1 60 60 GLU H H 60 8.008 8.008 8.043 -0.035 19179 4060 1 10 . 1 1 61 61 VAL N N 61 120.144 120.144 118.676 1.468 19179 4061 1 10 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.086 0.436 19179 4062 1 10 . 1 1 61 61 VAL C C 61 176.175 176.175 175.188 0.987 19179 4063 1 10 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.217 0.050 19179 4064 1 10 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.825 0.861 19179 4065 1 10 . 1 1 61 61 VAL H H 61 7.745 7.745 8.049 -0.304 19179 4066 1 10 . 1 1 62 62 SER N N 62 126.283 126.283 118.580 7.703 19179 4067 1 10 . 1 1 62 62 SER HA H 62 4.644 4.644 4.608 0.036 19179 4068 1 10 . 1 1 62 62 SER C C 62 176.781 176.781 175.217 1.564 19179 4069 1 10 . 1 1 62 62 SER CA C 62 60.796 60.796 58.603 2.193 19179 4070 1 10 . 1 1 62 62 SER CB C 62 65.061 65.061 64.081 0.980 19179 4071 1 10 . 1 1 62 62 SER H H 62 11.396 11.396 8.500 2.896 19179 4072 1 10 . 1 1 63 63 ASN N N 63 118.526 118.526 120.594 -2.068 19179 4073 1 10 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.569 0.163 19179 4074 1 10 . 1 1 63 63 ASN C C 63 172.632 172.632 175.835 -3.203 19179 4075 1 10 . 1 1 63 63 ASN CA C 63 54.586 54.586 55.119 -0.533 19179 4076 1 10 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.768 1.004 19179 4077 1 10 . 1 1 63 63 ASN H H 63 10.333 10.333 8.333 2.000 19179 4078 1 10 . 1 1 64 64 PHE N N 64 112.992 112.992 118.734 -5.742 19179 4079 1 10 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.538 0.328 19179 4080 1 10 . 1 1 64 64 PHE C C 64 174.310 174.310 174.400 -0.090 19179 4081 1 10 . 1 1 64 64 PHE CA C 64 56.626 56.626 57.776 -1.150 19179 4082 1 10 . 1 1 64 64 PHE CB C 64 42.883 42.883 41.178 1.705 19179 4083 1 10 . 1 1 64 64 PHE H H 64 6.971 6.971 7.809 -0.838 19179 4084 1 10 . 1 1 65 65 ASP HA H 65 4.888 4.888 3.988 0.900 19179 4085 1 10 . 1 1 65 65 ASP C C 65 175.049 175.049 174.690 0.359 19179 4086 1 10 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.480 -0.833 19179 4087 1 10 . 1 1 65 65 ASP CB C 65 41.367 41.367 39.429 1.938 19179 4088 1 10 . 1 1 66 66 ASP N N 66 119.568 119.568 117.223 2.345 19179 4089 1 10 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.303 0.558 19179 4090 1 10 . 1 1 66 66 ASP C C 66 175.858 175.858 177.635 -1.777 19179 4091 1 10 . 1 1 66 66 ASP CA C 66 52.663 52.663 54.594 -1.931 19179 4092 1 10 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.846 2.415 19179 4093 1 10 . 1 1 66 66 ASP H H 66 7.413 7.413 7.651 -0.238 19179 4094 1 10 . 1 1 67 67 VAL N N 67 127.826 127.826 120.173 7.653 19179 4095 1 10 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.732 -0.750 19179 4096 1 10 . 1 1 67 67 VAL C C 67 175.173 175.173 177.204 -2.031 19179 4097 1 10 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.859 -1.648 19179 4098 1 10 . 1 1 67 67 VAL CB C 67 30.848 30.848 31.995 -1.147 19179 4099 1 10 . 1 1 67 67 VAL H H 67 8.298 8.298 8.558 -0.260 19179 4100 1 10 . 1 1 68 68 GLU N N 68 120.580 120.580 119.589 0.991 19179 4101 1 10 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.083 -0.034 19179 4102 1 10 . 1 1 68 68 GLU C C 68 180.052 180.052 178.653 1.399 19179 4103 1 10 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.043 -2.185 19179 4104 1 10 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.772 -1.368 19179 4105 1 10 . 1 1 68 68 GLU H H 68 7.909 7.909 8.495 -0.586 19179 4106 1 10 . 1 1 69 69 GLU N N 69 121.347 121.347 118.623 2.724 19179 4107 1 10 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.102 -0.170 19179 4108 1 10 . 1 1 69 69 GLU C C 69 179.095 179.095 179.025 0.070 19179 4109 1 10 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.307 0.680 19179 4110 1 10 . 1 1 69 69 GLU CB C 69 29.520 29.520 28.938 0.582 19179 4111 1 10 . 1 1 69 69 GLU H H 69 7.669 7.669 8.501 -0.832 19179 4112 1 10 . 1 1 70 70 LEU N N 70 120.330 120.330 121.296 -0.966 19179 4113 1 10 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.131 -1.186 19179 4114 1 10 . 1 1 70 70 LEU C C 70 177.014 177.014 178.700 -1.686 19179 4115 1 10 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.143 -0.664 19179 4116 1 10 . 1 1 70 70 LEU CB C 70 40.244 40.244 42.218 -1.974 19179 4117 1 10 . 1 1 70 70 LEU H H 70 7.184 7.184 8.015 -0.831 19179 4118 1 10 . 1 1 71 71 VAL N N 71 118.625 118.625 115.500 3.125 19179 4119 1 10 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.532 -0.462 19179 4120 1 10 . 1 1 71 71 VAL C C 71 177.049 177.049 177.696 -0.647 19179 4121 1 10 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.268 1.620 19179 4122 1 10 . 1 1 71 71 VAL CB C 71 31.395 31.395 31.233 0.163 19179 4123 1 10 . 1 1 71 71 VAL H H 71 8.262 8.262 8.414 -0.152 19179 4124 1 10 . 1 1 72 72 LYS N N 72 116.770 116.770 119.385 -2.615 19179 4125 1 10 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.119 -0.282 19179 4126 1 10 . 1 1 72 72 LYS C C 72 179.439 179.439 178.657 0.782 19179 4127 1 10 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.000 0.954 19179 4128 1 10 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.757 0.862 19179 4129 1 10 . 1 1 72 72 LYS H H 72 7.791 7.791 8.157 -0.366 19179 4130 1 10 . 1 1 73 73 LYS N N 73 121.221 121.221 119.876 1.345 19179 4131 1 10 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.124 0.092 19179 4132 1 10 . 1 1 73 73 LYS C C 73 177.539 177.539 178.940 -1.401 19179 4133 1 10 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.200 -1.876 19179 4134 1 10 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.404 -0.498 19179 4135 1 10 . 1 1 73 73 LYS H H 73 7.796 7.796 7.717 0.079 19179 4136 1 10 . 1 1 74 74 VAL N N 74 119.691 119.691 120.835 -1.144 19179 4137 1 10 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.835 -0.420 19179 4138 1 10 . 1 1 74 74 VAL C C 74 177.638 177.638 178.174 -0.536 19179 4139 1 10 . 1 1 74 74 VAL CA C 74 66.863 66.863 66.066 0.797 19179 4140 1 10 . 1 1 74 74 VAL H H 74 8.445 8.445 8.310 0.135 19179 4141 1 10 . 1 1 75 75 VAL N N 75 120.095 120.095 117.439 2.656 19179 4142 1 10 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.744 -0.392 19179 4143 1 10 . 1 1 75 75 VAL C C 75 177.621 177.621 177.663 -0.042 19179 4144 1 10 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.287 1.472 19179 4145 1 10 . 1 1 75 75 VAL CB C 75 29.156 29.156 30.969 -1.813 19179 4146 1 10 . 1 1 75 75 VAL H H 75 8.521 8.521 8.260 0.261 19179 4147 1 10 . 1 1 76 76 ALA N N 76 120.276 120.276 123.724 -3.448 19179 4148 1 10 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.981 0.210 19179 4149 1 10 . 1 1 76 76 ALA C C 76 181.968 181.968 179.619 2.349 19179 4150 1 10 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.403 0.078 19179 4151 1 10 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.128 0.267 19179 4152 1 10 . 1 1 76 76 ALA H H 76 7.839 7.839 7.908 -0.069 19179 4153 1 10 . 1 1 77 77 VAL N N 77 114.746 114.746 118.670 -3.924 19179 4154 1 10 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.618 0.400 19179 4155 1 10 . 1 1 77 77 VAL C C 77 178.133 178.133 177.492 0.641 19179 4156 1 10 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.348 -0.818 19179 4157 1 10 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.986 -1.043 19179 4158 1 10 . 1 1 77 77 VAL H H 77 8.662 8.662 8.111 0.551 19179 4159 1 10 . 1 1 78 78 CYS N N 78 119.096 119.096 119.305 -0.209 19179 4160 1 10 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.924 0.067 19179 4161 1 10 . 1 1 78 78 CYS C C 78 177.621 177.621 176.546 1.075 19179 4162 1 10 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.019 1.757 19179 4163 1 10 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.639 -0.299 19179 4164 1 10 . 1 1 78 78 CYS H H 78 7.740 7.740 8.375 -0.635 19179 4165 1 10 . 1 1 79 79 GLU N N 79 118.797 118.797 119.267 -0.470 19179 4166 1 10 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.049 -0.013 19179 4167 1 10 . 1 1 79 79 GLU C C 79 179.135 179.135 179.095 0.040 19179 4168 1 10 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.945 -0.045 19179 4169 1 10 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.351 0.359 19179 4170 1 10 . 1 1 79 79 GLU H H 79 8.106 8.106 8.376 -0.270 19179 4171 1 10 . 1 1 80 80 GLU N N 80 119.483 119.483 120.348 -0.865 19179 4172 1 10 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.132 -0.511 19179 4173 1 10 . 1 1 80 80 GLU C C 80 177.433 177.433 178.040 -0.607 19179 4174 1 10 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.556 0.155 19179 4175 1 10 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.599 1.059 19179 4176 1 10 . 1 1 80 80 GLU H H 80 8.167 8.167 8.264 -0.097 19179 4177 1 10 . 1 1 81 81 LEU N N 81 117.475 117.475 117.410 0.065 19179 4178 1 10 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.313 0.339 19179 4179 1 10 . 1 1 81 81 LEU C C 81 177.355 177.355 177.043 0.312 19179 4180 1 10 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.871 -0.462 19179 4181 1 10 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.815 -1.362 19179 4182 1 10 . 1 1 81 81 LEU H H 81 8.145 8.145 7.694 0.451 19179 4183 1 10 . 1 1 82 82 GLY N N 82 127.998 127.998 107.778 20.220 19179 4184 1 10 . 1 1 82 82 GLY C C 82 175.024 175.024 173.798 1.226 19179 4185 1 10 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.907 1.732 19179 4186 1 10 . 1 1 82 82 GLY H H 82 7.218 7.218 7.608 -0.390 19179 4187 1 10 . 1 1 83 83 ALA N N 83 126.068 126.068 121.875 4.193 19179 4188 1 10 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.622 -0.121 19179 4189 1 10 . 1 1 83 83 ALA C C 83 177.567 177.567 175.730 1.837 19179 4190 1 10 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.248 0.856 19179 4191 1 10 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.781 -1.207 19179 4192 1 10 . 1 1 83 83 ALA H H 83 8.202 8.202 7.483 0.719 19179 4193 1 10 . 1 1 84 84 GLU N N 84 118.661 118.661 120.457 -1.796 19179 4194 1 10 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.710 -0.458 19179 4195 1 10 . 1 1 84 84 GLU C C 84 175.915 175.915 175.501 0.414 19179 4196 1 10 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.689 2.982 19179 4197 1 10 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.019 -0.353 19179 4198 1 10 . 1 1 84 84 GLU H H 84 9.004 9.004 8.998 0.006 19179 4199 1 10 . 1 1 85 85 GLU N N 85 111.162 111.162 117.296 -6.134 19179 4200 1 10 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.260 -0.379 19179 4201 1 10 . 1 1 85 85 GLU C C 85 173.815 173.815 173.990 -0.175 19179 4202 1 10 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.959 -3.302 19179 4203 1 10 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.679 -0.315 19179 4204 1 10 . 1 1 85 85 GLU H H 85 7.318 7.318 8.310 -0.992 19179 4205 1 10 . 1 1 86 86 CYS N N 86 122.106 122.106 123.574 -1.468 19179 4206 1 10 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.813 -0.735 19179 4207 1 10 . 1 1 86 86 CYS C C 86 177.088 177.088 176.235 0.853 19179 4208 1 10 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.495 1.976 19179 4209 1 10 . 1 1 86 86 CYS CB C 86 29.441 29.441 25.126 4.315 19179 4210 1 10 . 1 1 86 86 CYS H H 86 8.035 8.035 8.810 -0.775 19179 4211 1 10 . 1 1 87 87 PHE N N 87 129.406 129.406 128.758 0.648 19179 4212 1 10 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.200 0.292 19179 4213 1 10 . 1 1 87 87 PHE C C 87 176.921 176.921 176.750 0.171 19179 4214 1 10 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.940 -0.343 19179 4215 1 10 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.000 -0.061 19179 4216 1 10 . 1 1 87 87 PHE H H 87 8.292 8.292 8.546 -0.254 19179 4217 1 10 . 1 1 88 88 SER N N 88 118.356 118.356 115.694 2.662 19179 4218 1 10 . 1 1 88 88 SER HA H 88 4.131 4.131 4.244 -0.113 19179 4219 1 10 . 1 1 88 88 SER C C 88 174.940 174.940 176.770 -1.830 19179 4220 1 10 . 1 1 88 88 SER CA C 88 60.832 60.832 60.935 -0.103 19179 4221 1 10 . 1 1 88 88 SER CB C 88 62.143 62.143 62.958 -0.815 19179 4222 1 10 . 1 1 88 88 SER H H 88 8.436 8.436 8.436 0.000 19179 4223 1 10 . 1 1 89 89 CYS N N 89 125.476 125.476 119.266 6.210 19179 4224 1 10 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.422 -0.309 19179 4225 1 10 . 1 1 89 89 CYS C C 89 174.660 174.660 176.218 -1.558 19179 4226 1 10 . 1 1 89 89 CYS CA C 89 63.763 63.763 60.868 2.895 19179 4227 1 10 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.373 4.061 19179 4228 1 10 . 1 1 89 89 CYS H H 89 7.699 7.699 8.217 -0.518 19179 4229 1 10 . 1 1 90 90 ASP N N 90 119.756 119.756 117.156 2.600 19179 4230 1 10 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.694 -0.177 19179 4231 1 10 . 1 1 90 90 ASP C C 90 175.429 175.429 175.092 0.337 19179 4232 1 10 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.428 -0.386 19179 4233 1 10 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.736 0.271 19179 4234 1 10 . 1 1 90 90 ASP H H 90 7.569 7.569 8.008 -0.439 19179 4235 1 10 . 1 1 91 91 PHE N N 91 120.531 120.531 121.557 -1.026 19179 4236 1 10 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.313 0.316 19179 4237 1 10 . 1 1 91 91 PHE C C 91 174.893 174.893 174.244 0.649 19179 4238 1 10 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.019 -0.759 19179 4239 1 10 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.932 -1.387 19179 4240 1 10 . 1 1 91 91 PHE H H 91 7.910 7.910 7.366 0.544 19179 4241 1 11 . 1 1 17 17 GLU C C 17 178.498 178.498 176.389 2.109 19179 4242 1 11 . 1 1 18 18 ALA N N 18 117.689 117.689 127.246 -9.557 19179 4243 1 11 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.242 0.132 19179 4244 1 11 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.520 -0.095 19179 4245 1 11 . 1 1 18 18 ALA H H 18 8.085 8.085 8.851 -0.766 19179 4246 1 11 . 1 1 19 19 VAL C C 19 177.450 177.450 177.254 0.196 19179 4247 1 11 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.037 0.775 19179 4248 1 11 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.415 -0.146 19179 4249 1 11 . 1 1 20 20 TYR N N 20 116.865 116.865 119.108 -2.243 19179 4250 1 11 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.154 -0.029 19179 4251 1 11 . 1 1 20 20 TYR C C 20 179.914 179.914 178.118 1.796 19179 4252 1 11 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.224 2.107 19179 4253 1 11 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.803 -0.621 19179 4254 1 11 . 1 1 20 20 TYR H H 20 8.138 8.138 8.179 -0.041 19179 4255 1 11 . 1 1 21 21 ILE N N 21 122.973 122.973 118.957 4.016 19179 4256 1 11 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.788 -0.130 19179 4257 1 11 . 1 1 21 21 ILE C C 21 176.306 176.306 177.378 -1.072 19179 4258 1 11 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.430 2.669 19179 4259 1 11 . 1 1 21 21 ILE CB C 21 37.886 37.886 38.195 -0.309 19179 4260 1 11 . 1 1 21 21 ILE H H 21 8.112 8.112 8.745 -0.633 19179 4261 1 11 . 1 1 22 22 ALA N N 22 122.302 122.302 121.890 0.412 19179 4262 1 11 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.082 -0.235 19179 4263 1 11 . 1 1 22 22 ALA C C 22 179.987 179.987 179.194 0.793 19179 4264 1 11 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.259 -0.075 19179 4265 1 11 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.441 0.493 19179 4266 1 11 . 1 1 22 22 ALA H H 22 7.839 7.839 7.736 0.103 19179 4267 1 11 . 1 1 23 23 ILE N N 23 119.408 119.408 116.213 3.195 19179 4268 1 11 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.095 0.275 19179 4269 1 11 . 1 1 23 23 ILE C C 23 180.184 180.184 175.826 4.358 19179 4270 1 11 . 1 1 23 23 ILE CA C 23 63.705 63.705 62.905 0.800 19179 4271 1 11 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.824 -0.482 19179 4272 1 11 . 1 1 23 23 ILE H H 23 8.328 8.328 8.430 -0.102 19179 4273 1 11 . 1 1 24 24 GLU N N 24 125.684 125.684 120.132 5.552 19179 4274 1 11 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.273 -0.385 19179 4275 1 11 . 1 1 24 24 GLU C C 24 178.861 178.861 177.075 1.786 19179 4276 1 11 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.416 -3.828 19179 4277 1 11 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.611 -0.525 19179 4278 1 11 . 1 1 24 24 GLU H H 24 8.344 8.344 8.364 -0.020 19179 4279 1 11 . 1 1 25 25 ALA N N 25 117.589 117.589 121.107 -3.518 19179 4280 1 11 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.330 -0.138 19179 4281 1 11 . 1 1 25 25 ALA C C 25 177.866 177.866 177.414 0.452 19179 4282 1 11 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.683 -0.223 19179 4283 1 11 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.084 0.246 19179 4284 1 11 . 1 1 25 25 ALA H H 25 8.228 8.228 7.759 0.469 19179 4285 1 11 . 1 1 26 26 GLY N N 26 129.923 129.923 104.812 25.111 19179 4286 1 11 . 1 1 26 26 GLY C C 26 173.535 173.535 175.376 -1.841 19179 4287 1 11 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.149 -0.362 19179 4288 1 11 . 1 1 26 26 GLY H H 26 8.189 8.189 7.588 0.601 19179 4289 1 11 . 1 1 27 27 THR N N 27 119.446 119.446 117.000 2.446 19179 4290 1 11 . 1 1 27 27 THR HA H 27 4.445 4.445 4.099 0.346 19179 4291 1 11 . 1 1 27 27 THR C C 27 176.521 176.521 174.893 1.628 19179 4292 1 11 . 1 1 27 27 THR CA C 27 66.568 66.568 66.023 0.545 19179 4293 1 11 . 1 1 27 27 THR CB C 27 51.731 51.731 69.426 -17.695 19179 4294 1 11 . 1 1 27 27 THR H H 27 7.919 7.919 7.796 0.123 19179 4295 1 11 . 1 1 28 28 LEU N N 28 119.632 119.632 114.905 4.727 19179 4296 1 11 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.533 0.480 19179 4297 1 11 . 1 1 28 28 LEU C C 28 173.798 173.798 174.128 -0.330 19179 4298 1 11 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.205 -1.205 19179 4299 1 11 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.083 2.738 19179 4300 1 11 . 1 1 28 28 LEU H H 28 7.026 7.026 7.346 -0.320 19179 4301 1 11 . 1 1 29 29 ALA N N 29 121.053 121.053 120.556 0.497 19179 4302 1 11 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.569 -0.177 19179 4303 1 11 . 1 1 29 29 ALA C C 29 173.471 173.471 174.296 -0.825 19179 4304 1 11 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.915 0.768 19179 4305 1 11 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.291 1.679 19179 4306 1 11 . 1 1 29 29 ALA H H 29 8.856 8.856 7.766 1.090 19179 4307 1 11 . 1 1 30 30 GLU N N 30 119.234 119.234 117.923 1.311 19179 4308 1 11 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.294 0.505 19179 4309 1 11 . 1 1 30 30 GLU C C 30 176.292 176.292 174.895 1.397 19179 4310 1 11 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.042 -0.581 19179 4311 1 11 . 1 1 30 30 GLU CB C 30 33.135 33.135 30.296 2.839 19179 4312 1 11 . 1 1 30 30 GLU H H 30 8.244 8.244 7.704 0.540 19179 4313 1 11 . 1 1 31 31 CYS N N 31 129.774 129.774 122.952 6.822 19179 4314 1 11 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.354 -0.042 19179 4315 1 11 . 1 1 31 31 CYS C C 31 175.519 175.519 174.214 1.305 19179 4316 1 11 . 1 1 31 31 CYS CA C 31 61.544 61.544 61.145 0.399 19179 4317 1 11 . 1 1 31 31 CYS CB C 31 28.588 28.588 28.454 0.134 19179 4318 1 11 . 1 1 31 31 CYS H H 31 8.586 8.586 8.340 0.246 19179 4319 1 11 . 1 1 32 32 GLU N N 32 126.867 126.867 124.575 2.292 19179 4320 1 11 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.218 -0.129 19179 4321 1 11 . 1 1 32 32 GLU C C 32 177.061 177.061 176.021 1.040 19179 4322 1 11 . 1 1 32 32 GLU CA C 32 58.728 58.728 57.581 1.147 19179 4323 1 11 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.655 0.777 19179 4324 1 11 . 1 1 32 32 GLU H H 32 8.756 8.756 8.356 0.400 19179 4325 1 11 . 1 1 33 33 VAL N N 33 122.528 122.528 118.538 3.990 19179 4326 1 11 . 1 1 33 33 VAL HA H 33 3.818 3.818 3.947 -0.129 19179 4327 1 11 . 1 1 33 33 VAL C C 33 176.434 176.434 174.399 2.035 19179 4328 1 11 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.822 1.310 19179 4329 1 11 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.699 1.045 19179 4330 1 11 . 1 1 33 33 VAL H H 33 8.935 8.935 7.432 1.503 19179 4331 1 11 . 1 1 34 34 HIS N N 34 126.015 126.015 118.143 7.872 19179 4332 1 11 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.870 -0.295 19179 4333 1 11 . 1 1 34 34 HIS C C 34 173.077 173.077 174.288 -1.211 19179 4334 1 11 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.854 2.781 19179 4335 1 11 . 1 1 34 34 HIS CB C 34 28.789 28.789 30.180 -1.391 19179 4336 1 11 . 1 1 34 34 HIS H H 34 8.834 8.834 7.468 1.366 19179 4337 1 11 . 1 1 35 35 GLU N N 35 122.059 122.059 126.222 -4.163 19179 4338 1 11 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.245 -0.148 19179 4339 1 11 . 1 1 35 35 GLU C C 35 178.839 178.839 177.329 1.510 19179 4340 1 11 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.877 0.191 19179 4341 1 11 . 1 1 35 35 GLU CB C 35 29.733 29.733 30.198 -0.465 19179 4342 1 11 . 1 1 35 35 GLU H H 35 7.643 7.643 8.691 -1.048 19179 4343 1 11 . 1 1 36 36 GLY N N 36 114.969 114.969 112.846 2.123 19179 4344 1 11 . 1 1 36 36 GLY C C 36 173.165 173.165 174.510 -1.345 19179 4345 1 11 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.027 -0.041 19179 4346 1 11 . 1 1 36 36 GLY H H 36 10.615 10.615 9.062 1.553 19179 4347 1 11 . 1 1 37 37 THR N N 37 116.476 116.476 118.985 -2.509 19179 4348 1 11 . 1 1 37 37 THR HA H 37 4.466 4.466 4.557 -0.091 19179 4349 1 11 . 1 1 37 37 THR C C 37 172.121 172.121 173.114 -0.993 19179 4350 1 11 . 1 1 37 37 THR CA C 37 62.490 62.490 62.728 -0.238 19179 4351 1 11 . 1 1 37 37 THR CB C 37 68.752 68.752 69.379 -0.627 19179 4352 1 11 . 1 1 37 37 THR H H 37 7.669 7.669 7.707 -0.038 19179 4353 1 11 . 1 1 38 38 TYR N N 38 124.951 124.951 124.402 0.549 19179 4354 1 11 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.655 0.980 19179 4355 1 11 . 1 1 38 38 TYR C C 38 174.538 174.538 173.992 0.546 19179 4356 1 11 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.272 -1.271 19179 4357 1 11 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.273 -0.662 19179 4358 1 11 . 1 1 38 38 TYR H H 38 8.622 8.622 8.540 0.082 19179 4359 1 11 . 1 1 39 39 PHE N N 39 115.194 115.194 114.326 0.868 19179 4360 1 11 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.970 0.114 19179 4361 1 11 . 1 1 39 39 PHE C C 39 173.379 173.379 172.476 0.903 19179 4362 1 11 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.941 -2.003 19179 4363 1 11 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.332 -1.112 19179 4364 1 11 . 1 1 39 39 PHE H H 39 8.483 8.483 8.756 -0.273 19179 4365 1 11 . 1 1 40 40 SER N N 40 114.429 114.429 118.454 -4.025 19179 4366 1 11 . 1 1 40 40 SER HA H 40 4.341 4.341 4.591 -0.250 19179 4367 1 11 . 1 1 40 40 SER C C 40 173.355 173.355 173.813 -0.458 19179 4368 1 11 . 1 1 40 40 SER CA C 40 60.726 60.726 56.816 3.910 19179 4369 1 11 . 1 1 40 40 SER CB C 40 63.544 63.544 65.448 -1.904 19179 4370 1 11 . 1 1 40 40 SER H H 40 9.519 9.519 8.685 0.834 19179 4371 1 11 . 1 1 41 41 ASP N N 41 125.551 125.551 126.508 -0.957 19179 4372 1 11 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.562 0.351 19179 4373 1 11 . 1 1 41 41 ASP C C 41 176.230 176.230 175.626 0.604 19179 4374 1 11 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.359 -1.620 19179 4375 1 11 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.885 -1.160 19179 4376 1 11 . 1 1 41 41 ASP H H 41 8.431 8.431 8.773 -0.342 19179 4377 1 11 . 1 1 42 42 SER N N 42 114.674 114.674 120.410 -5.736 19179 4378 1 11 . 1 1 42 42 SER HA H 42 4.370 4.370 4.409 -0.039 19179 4379 1 11 . 1 1 42 42 SER C C 42 177.229 177.229 175.722 1.507 19179 4380 1 11 . 1 1 42 42 SER CA C 42 59.770 59.770 59.859 -0.089 19179 4381 1 11 . 1 1 42 42 SER CB C 42 62.951 62.951 63.466 -0.515 19179 4382 1 11 . 1 1 42 42 SER H H 42 9.001 9.001 8.055 0.946 19179 4383 1 11 . 1 1 43 43 GLY N N 43 130.573 130.573 113.891 16.682 19179 4384 1 11 . 1 1 43 43 GLY C C 43 172.823 172.823 173.506 -0.683 19179 4385 1 11 . 1 1 43 43 GLY CA C 43 45.829 45.829 45.032 0.797 19179 4386 1 11 . 1 1 43 43 GLY H H 43 8.261 8.261 8.851 -0.590 19179 4387 1 11 . 1 1 44 44 ASP N N 44 120.029 120.029 120.652 -0.623 19179 4388 1 11 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.902 -0.161 19179 4389 1 11 . 1 1 44 44 ASP C C 44 176.327 176.327 176.562 -0.235 19179 4390 1 11 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.313 -0.004 19179 4391 1 11 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.071 -1.004 19179 4392 1 11 . 1 1 44 44 ASP H H 44 8.583 8.583 7.856 0.727 19179 4393 1 11 . 1 1 45 45 ILE N N 45 129.584 129.584 118.748 10.836 19179 4394 1 11 . 1 1 45 45 ILE HA H 45 3.691 3.691 4.020 -0.329 19179 4395 1 11 . 1 1 45 45 ILE C C 45 177.352 177.352 177.057 0.295 19179 4396 1 11 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.518 1.449 19179 4397 1 11 . 1 1 45 45 ILE CB C 45 37.813 37.813 37.939 -0.126 19179 4398 1 11 . 1 1 45 45 ILE H H 45 8.589 8.589 8.098 0.491 19179 4399 1 11 . 1 1 46 46 SER N N 46 117.808 117.808 116.665 1.143 19179 4400 1 11 . 1 1 46 46 SER HA H 46 4.338 4.338 4.149 0.189 19179 4401 1 11 . 1 1 46 46 SER C C 46 177.116 177.116 176.301 0.815 19179 4402 1 11 . 1 1 46 46 SER CA C 46 61.744 61.744 61.084 0.659 19179 4403 1 11 . 1 1 46 46 SER CB C 46 62.502 62.502 61.803 0.699 19179 4404 1 11 . 1 1 46 46 SER H H 46 8.275 8.275 8.357 -0.082 19179 4405 1 11 . 1 1 47 47 GLU N N 47 121.839 121.839 122.360 -0.521 19179 4406 1 11 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.050 -0.008 19179 4407 1 11 . 1 1 47 47 GLU C C 47 178.981 178.981 177.921 1.060 19179 4408 1 11 . 1 1 47 47 GLU CA C 47 59.418 59.418 58.994 0.424 19179 4409 1 11 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.299 -0.041 19179 4410 1 11 . 1 1 47 47 GLU H H 47 7.372 7.372 7.633 -0.261 19179 4411 1 11 . 1 1 48 48 ALA N N 48 122.935 122.935 121.251 1.684 19179 4412 1 11 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.336 -0.475 19179 4413 1 11 . 1 1 48 48 ALA C C 48 178.641 178.641 179.993 -1.352 19179 4414 1 11 . 1 1 48 48 ALA CA C 48 55.325 55.325 54.743 0.582 19179 4415 1 11 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.646 -1.254 19179 4416 1 11 . 1 1 48 48 ALA H H 48 6.925 6.925 8.115 -1.190 19179 4417 1 11 . 1 1 49 49 GLU N N 49 118.249 118.249 118.987 -0.738 19179 4418 1 11 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.075 -0.462 19179 4419 1 11 . 1 1 49 49 GLU C C 49 177.879 177.879 179.276 -1.397 19179 4420 1 11 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.467 0.855 19179 4421 1 11 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.695 -0.827 19179 4422 1 11 . 1 1 49 49 GLU H H 49 8.288 8.288 8.090 0.198 19179 4423 1 11 . 1 1 50 50 GLU N N 50 117.450 117.450 119.861 -2.411 19179 4424 1 11 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.144 -0.222 19179 4425 1 11 . 1 1 50 50 GLU C C 50 179.532 179.532 179.179 0.353 19179 4426 1 11 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.191 0.562 19179 4427 1 11 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.578 -0.550 19179 4428 1 11 . 1 1 50 50 GLU H H 50 8.108 8.108 8.169 -0.061 19179 4429 1 11 . 1 1 51 51 LEU N N 51 120.169 120.169 120.275 -0.106 19179 4430 1 11 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.021 0.286 19179 4431 1 11 . 1 1 51 51 LEU C C 51 178.285 178.285 179.313 -1.028 19179 4432 1 11 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.206 -0.768 19179 4433 1 11 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.760 -0.994 19179 4434 1 11 . 1 1 51 51 LEU H H 51 7.835 7.835 8.465 -0.630 19179 4435 1 11 . 1 1 52 52 ALA N N 52 121.167 121.167 120.823 0.344 19179 4436 1 11 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.169 -0.374 19179 4437 1 11 . 1 1 52 52 ALA C C 52 178.611 178.611 179.379 -0.768 19179 4438 1 11 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.080 0.568 19179 4439 1 11 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.263 -0.087 19179 4440 1 11 . 1 1 52 52 ALA H H 52 8.286 8.286 8.146 0.140 19179 4441 1 11 . 1 1 53 53 ARG N N 53 115.092 115.092 119.709 -4.617 19179 4442 1 11 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.358 -0.631 19179 4443 1 11 . 1 1 53 53 ARG C C 53 179.136 179.136 178.396 0.740 19179 4444 1 11 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.768 0.840 19179 4445 1 11 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.152 -0.632 19179 4446 1 11 . 1 1 53 53 ARG H H 53 7.957 7.957 8.535 -0.578 19179 4447 1 11 . 1 1 54 54 GLU N N 54 122.263 122.263 118.954 3.309 19179 4448 1 11 . 1 1 54 54 GLU HA H 54 4.064 4.064 3.917 0.147 19179 4449 1 11 . 1 1 54 54 GLU C C 54 179.159 179.159 178.636 0.523 19179 4450 1 11 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.266 0.152 19179 4451 1 11 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.344 0.544 19179 4452 1 11 . 1 1 54 54 GLU H H 54 8.089 8.089 8.122 -0.033 19179 4453 1 11 . 1 1 55 55 LYS N N 55 118.511 118.511 120.443 -1.932 19179 4454 1 11 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.034 -0.224 19179 4455 1 11 . 1 1 55 55 LYS C C 55 179.078 179.078 179.182 -0.104 19179 4456 1 11 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.041 0.770 19179 4457 1 11 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.324 0.419 19179 4458 1 11 . 1 1 55 55 LYS H H 55 9.118 9.118 8.067 1.051 19179 4459 1 11 . 1 1 56 56 PHE N N 56 119.918 119.918 117.273 2.645 19179 4460 1 11 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.559 -0.697 19179 4461 1 11 . 1 1 56 56 PHE H H 56 8.456 8.456 8.473 -0.017 19179 4462 1 11 . 1 1 57 57 GLU N N 57 121.819 121.819 120.768 1.051 19179 4463 1 11 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.595 0.533 19179 4464 1 11 . 1 1 57 57 GLU C C 57 177.889 177.889 177.814 0.075 19179 4465 1 11 . 1 1 57 57 GLU CA C 57 59.238 59.238 57.516 1.722 19179 4466 1 11 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.066 1.417 19179 4467 1 11 . 1 1 57 57 GLU H H 57 8.153 8.153 7.025 1.128 19179 4468 1 11 . 1 1 58 58 LYS N N 58 115.784 115.784 116.745 -0.961 19179 4469 1 11 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.233 0.034 19179 4470 1 11 . 1 1 58 58 LYS C C 58 176.710 176.710 176.721 -0.011 19179 4471 1 11 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.197 0.545 19179 4472 1 11 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.352 -0.325 19179 4473 1 11 . 1 1 58 58 LYS H H 58 7.684 7.684 7.804 -0.120 19179 4474 1 11 . 1 1 59 59 GLY N N 59 130.075 130.075 108.006 22.069 19179 4475 1 11 . 1 1 59 59 GLY C C 59 175.969 175.969 173.141 2.828 19179 4476 1 11 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.296 1.034 19179 4477 1 11 . 1 1 59 59 GLY H H 59 7.644 7.644 7.980 -0.336 19179 4478 1 11 . 1 1 60 60 GLU N N 60 117.714 117.714 119.083 -1.369 19179 4479 1 11 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.737 -0.398 19179 4480 1 11 . 1 1 60 60 GLU C C 60 175.359 175.359 175.070 0.289 19179 4481 1 11 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.222 0.311 19179 4482 1 11 . 1 1 60 60 GLU CB C 60 30.356 30.356 32.309 -1.954 19179 4483 1 11 . 1 1 60 60 GLU H H 60 8.008 8.008 8.234 -0.226 19179 4484 1 11 . 1 1 61 61 VAL N N 61 120.144 120.144 114.519 5.625 19179 4485 1 11 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.452 0.070 19179 4486 1 11 . 1 1 61 61 VAL C C 61 176.175 176.175 175.924 0.251 19179 4487 1 11 . 1 1 61 61 VAL CA C 61 61.267 61.267 60.743 0.524 19179 4488 1 11 . 1 1 61 61 VAL CB C 61 33.686 33.686 33.733 -0.047 19179 4489 1 11 . 1 1 61 61 VAL H H 61 7.745 7.745 8.384 -0.639 19179 4490 1 11 . 1 1 62 62 SER N N 62 126.283 126.283 115.258 11.025 19179 4491 1 11 . 1 1 62 62 SER HA H 62 4.644 4.644 4.381 0.263 19179 4492 1 11 . 1 1 62 62 SER C C 62 176.781 176.781 175.528 1.253 19179 4493 1 11 . 1 1 62 62 SER CA C 62 60.796 60.796 58.916 1.881 19179 4494 1 11 . 1 1 62 62 SER CB C 62 65.061 65.061 63.792 1.268 19179 4495 1 11 . 1 1 62 62 SER H H 62 11.396 11.396 8.611 2.785 19179 4496 1 11 . 1 1 63 63 ASN N N 63 118.526 118.526 119.391 -0.865 19179 4497 1 11 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.647 0.085 19179 4498 1 11 . 1 1 63 63 ASN C C 63 172.632 172.632 175.098 -2.466 19179 4499 1 11 . 1 1 63 63 ASN CA C 63 54.586 54.586 54.869 -0.283 19179 4500 1 11 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.875 0.897 19179 4501 1 11 . 1 1 63 63 ASN H H 63 10.333 10.333 8.323 2.010 19179 4502 1 11 . 1 1 64 64 PHE N N 64 112.992 112.992 116.312 -3.320 19179 4503 1 11 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.525 0.341 19179 4504 1 11 . 1 1 64 64 PHE C C 64 174.310 174.310 173.442 0.868 19179 4505 1 11 . 1 1 64 64 PHE CA C 64 56.626 56.626 56.820 -0.194 19179 4506 1 11 . 1 1 64 64 PHE CB C 64 42.883 42.883 41.085 1.798 19179 4507 1 11 . 1 1 64 64 PHE H H 64 6.971 6.971 7.617 -0.646 19179 4508 1 11 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.530 0.358 19179 4509 1 11 . 1 1 65 65 ASP C C 65 175.049 175.049 174.792 0.257 19179 4510 1 11 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.205 -1.558 19179 4511 1 11 . 1 1 65 65 ASP CB C 65 41.367 41.367 40.184 1.183 19179 4512 1 11 . 1 1 66 66 ASP N N 66 119.568 119.568 124.299 -4.731 19179 4513 1 11 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.695 0.166 19179 4514 1 11 . 1 1 66 66 ASP C C 66 175.858 175.858 175.702 0.156 19179 4515 1 11 . 1 1 66 66 ASP CA C 66 52.663 52.663 54.133 -1.470 19179 4516 1 11 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.580 1.681 19179 4517 1 11 . 1 1 66 66 ASP H H 66 7.413 7.413 8.097 -0.684 19179 4518 1 11 . 1 1 67 67 VAL N N 67 127.826 127.826 123.911 3.915 19179 4519 1 11 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.913 -0.931 19179 4520 1 11 . 1 1 67 67 VAL C C 67 175.173 175.173 176.238 -1.065 19179 4521 1 11 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.575 -1.364 19179 4522 1 11 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.813 -1.965 19179 4523 1 11 . 1 1 67 67 VAL H H 67 8.298 8.298 8.447 -0.149 19179 4524 1 11 . 1 1 68 68 GLU N N 68 120.580 120.580 118.498 2.082 19179 4525 1 11 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.025 0.024 19179 4526 1 11 . 1 1 68 68 GLU C C 68 180.052 180.052 178.527 1.525 19179 4527 1 11 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.825 -1.967 19179 4528 1 11 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.286 -0.882 19179 4529 1 11 . 1 1 68 68 GLU H H 68 7.909 7.909 8.641 -0.732 19179 4530 1 11 . 1 1 69 69 GLU N N 69 121.347 121.347 120.189 1.158 19179 4531 1 11 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.161 -0.229 19179 4532 1 11 . 1 1 69 69 GLU C C 69 179.095 179.095 178.615 0.480 19179 4533 1 11 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.428 0.559 19179 4534 1 11 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.095 0.425 19179 4535 1 11 . 1 1 69 69 GLU H H 69 7.669 7.669 8.160 -0.491 19179 4536 1 11 . 1 1 70 70 LEU N N 70 120.330 120.330 121.070 -0.740 19179 4537 1 11 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.867 -0.922 19179 4538 1 11 . 1 1 70 70 LEU C C 70 177.014 177.014 178.892 -1.878 19179 4539 1 11 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.171 -0.692 19179 4540 1 11 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.052 -0.808 19179 4541 1 11 . 1 1 70 70 LEU H H 70 7.184 7.184 8.156 -0.972 19179 4542 1 11 . 1 1 71 71 VAL N N 71 118.625 118.625 115.094 3.531 19179 4543 1 11 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.588 -0.518 19179 4544 1 11 . 1 1 71 71 VAL C C 71 177.049 177.049 177.700 -0.651 19179 4545 1 11 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.686 1.202 19179 4546 1 11 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.997 0.399 19179 4547 1 11 . 1 1 71 71 VAL H H 71 8.262 8.262 8.428 -0.166 19179 4548 1 11 . 1 1 72 72 LYS N N 72 116.770 116.770 120.527 -3.757 19179 4549 1 11 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.113 -0.276 19179 4550 1 11 . 1 1 72 72 LYS C C 72 179.439 179.439 179.203 0.236 19179 4551 1 11 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.192 0.762 19179 4552 1 11 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.812 0.807 19179 4553 1 11 . 1 1 72 72 LYS H H 72 7.791 7.791 7.918 -0.127 19179 4554 1 11 . 1 1 73 73 LYS N N 73 121.221 121.221 117.869 3.352 19179 4555 1 11 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.139 0.077 19179 4556 1 11 . 1 1 73 73 LYS C C 73 177.539 177.539 179.023 -1.484 19179 4557 1 11 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.383 -1.059 19179 4558 1 11 . 1 1 73 73 LYS CB C 73 31.906 31.906 31.970 -0.064 19179 4559 1 11 . 1 1 73 73 LYS H H 73 7.796 7.796 7.873 -0.077 19179 4560 1 11 . 1 1 74 74 VAL N N 74 119.691 119.691 121.216 -1.525 19179 4561 1 11 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.686 -0.271 19179 4562 1 11 . 1 1 74 74 VAL C C 74 177.638 177.638 177.295 0.343 19179 4563 1 11 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.265 -0.402 19179 4564 1 11 . 1 1 74 74 VAL H H 74 8.445 8.445 7.547 0.898 19179 4565 1 11 . 1 1 75 75 VAL N N 75 120.095 120.095 120.018 0.077 19179 4566 1 11 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.552 -0.200 19179 4567 1 11 . 1 1 75 75 VAL C C 75 177.621 177.621 177.400 0.221 19179 4568 1 11 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.514 1.245 19179 4569 1 11 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.586 -2.430 19179 4570 1 11 . 1 1 75 75 VAL H H 75 8.521 8.521 8.624 -0.103 19179 4571 1 11 . 1 1 76 76 ALA N N 76 120.276 120.276 122.366 -2.090 19179 4572 1 11 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.971 0.220 19179 4573 1 11 . 1 1 76 76 ALA C C 76 181.968 181.968 179.620 2.348 19179 4574 1 11 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.456 0.025 19179 4575 1 11 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.073 0.322 19179 4576 1 11 . 1 1 76 76 ALA H H 76 7.839 7.839 7.935 -0.096 19179 4577 1 11 . 1 1 77 77 VAL N N 77 114.746 114.746 118.630 -3.884 19179 4578 1 11 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.582 0.436 19179 4579 1 11 . 1 1 77 77 VAL C C 77 178.133 178.133 177.506 0.627 19179 4580 1 11 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.080 -0.550 19179 4581 1 11 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.877 -0.934 19179 4582 1 11 . 1 1 77 77 VAL H H 77 8.662 8.662 7.787 0.875 19179 4583 1 11 . 1 1 78 78 CYS N N 78 119.096 119.096 118.416 0.680 19179 4584 1 11 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.911 0.080 19179 4585 1 11 . 1 1 78 78 CYS C C 78 177.621 177.621 177.680 -0.059 19179 4586 1 11 . 1 1 78 78 CYS CA C 78 64.776 64.776 64.159 0.617 19179 4587 1 11 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.271 0.069 19179 4588 1 11 . 1 1 78 78 CYS H H 78 7.740 7.740 8.582 -0.842 19179 4589 1 11 . 1 1 79 79 GLU N N 79 118.797 118.797 119.217 -0.420 19179 4590 1 11 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.071 -0.035 19179 4591 1 11 . 1 1 79 79 GLU C C 79 179.135 179.135 178.824 0.311 19179 4592 1 11 . 1 1 79 79 GLU CA C 79 58.900 58.900 59.233 -0.333 19179 4593 1 11 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.434 0.276 19179 4594 1 11 . 1 1 79 79 GLU H H 79 8.106 8.106 8.600 -0.494 19179 4595 1 11 . 1 1 80 80 GLU N N 80 119.483 119.483 120.966 -1.483 19179 4596 1 11 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.152 -0.531 19179 4597 1 11 . 1 1 80 80 GLU C C 80 177.433 177.433 177.646 -0.213 19179 4598 1 11 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.301 0.410 19179 4599 1 11 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.239 1.419 19179 4600 1 11 . 1 1 80 80 GLU H H 80 8.167 8.167 8.225 -0.058 19179 4601 1 11 . 1 1 81 81 LEU N N 81 117.475 117.475 116.865 0.610 19179 4602 1 11 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.249 0.403 19179 4603 1 11 . 1 1 81 81 LEU C C 81 177.355 177.355 176.822 0.533 19179 4604 1 11 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.889 -0.480 19179 4605 1 11 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.675 -1.222 19179 4606 1 11 . 1 1 81 81 LEU H H 81 8.145 8.145 7.527 0.618 19179 4607 1 11 . 1 1 82 82 GLY N N 82 127.998 127.998 107.710 20.288 19179 4608 1 11 . 1 1 82 82 GLY C C 82 175.024 175.024 173.601 1.423 19179 4609 1 11 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.709 1.930 19179 4610 1 11 . 1 1 82 82 GLY H H 82 7.218 7.218 7.552 -0.334 19179 4611 1 11 . 1 1 83 83 ALA N N 83 126.068 126.068 122.859 3.209 19179 4612 1 11 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.598 -0.097 19179 4613 1 11 . 1 1 83 83 ALA C C 83 177.567 177.567 175.656 1.911 19179 4614 1 11 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.426 0.678 19179 4615 1 11 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.850 -1.276 19179 4616 1 11 . 1 1 83 83 ALA H H 83 8.202 8.202 7.766 0.436 19179 4617 1 11 . 1 1 84 84 GLU N N 84 118.661 118.661 121.881 -3.220 19179 4618 1 11 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.683 -0.431 19179 4619 1 11 . 1 1 84 84 GLU C C 84 175.915 175.915 175.675 0.240 19179 4620 1 11 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.433 3.238 19179 4621 1 11 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.105 -0.439 19179 4622 1 11 . 1 1 84 84 GLU H H 84 9.004 9.004 8.929 0.075 19179 4623 1 11 . 1 1 85 85 GLU N N 85 111.162 111.162 117.567 -6.405 19179 4624 1 11 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.210 -0.329 19179 4625 1 11 . 1 1 85 85 GLU C C 85 173.815 173.815 174.291 -0.476 19179 4626 1 11 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.385 -2.728 19179 4627 1 11 . 1 1 85 85 GLU CB C 85 32.364 32.364 31.732 0.632 19179 4628 1 11 . 1 1 85 85 GLU H H 85 7.318 7.318 8.248 -0.930 19179 4629 1 11 . 1 1 86 86 CYS N N 86 122.106 122.106 120.220 1.886 19179 4630 1 11 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.689 -0.611 19179 4631 1 11 . 1 1 86 86 CYS C C 86 177.088 177.088 174.978 2.110 19179 4632 1 11 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.459 2.011 19179 4633 1 11 . 1 1 86 86 CYS CB C 86 29.441 29.441 27.472 1.969 19179 4634 1 11 . 1 1 86 86 CYS H H 86 8.035 8.035 8.470 -0.435 19179 4635 1 11 . 1 1 87 87 PHE N N 87 129.406 129.406 123.020 6.386 19179 4636 1 11 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.477 0.015 19179 4637 1 11 . 1 1 87 87 PHE C C 87 176.921 176.921 176.913 0.008 19179 4638 1 11 . 1 1 87 87 PHE CA C 87 59.597 59.597 57.785 1.812 19179 4639 1 11 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.181 -0.242 19179 4640 1 11 . 1 1 87 87 PHE H H 87 8.292 8.292 8.636 -0.344 19179 4641 1 11 . 1 1 88 88 SER N N 88 118.356 118.356 116.184 2.172 19179 4642 1 11 . 1 1 88 88 SER HA H 88 4.131 4.131 4.065 0.066 19179 4643 1 11 . 1 1 88 88 SER C C 88 174.940 174.940 176.290 -1.350 19179 4644 1 11 . 1 1 88 88 SER CA C 88 60.832 60.832 62.517 -1.685 19179 4645 1 11 . 1 1 88 88 SER CB C 88 62.143 62.143 62.179 -0.036 19179 4646 1 11 . 1 1 88 88 SER H H 88 8.436 8.436 8.349 0.087 19179 4647 1 11 . 1 1 89 89 CYS N N 89 125.476 125.476 116.859 8.617 19179 4648 1 11 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.418 -0.305 19179 4649 1 11 . 1 1 89 89 CYS C C 89 174.660 174.660 175.707 -1.047 19179 4650 1 11 . 1 1 89 89 CYS CA C 89 63.763 63.763 60.812 2.951 19179 4651 1 11 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.430 4.005 19179 4652 1 11 . 1 1 89 89 CYS H H 89 7.699 7.699 8.262 -0.563 19179 4653 1 11 . 1 1 90 90 ASP N N 90 119.756 119.756 117.298 2.458 19179 4654 1 11 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.800 -0.283 19179 4655 1 11 . 1 1 90 90 ASP C C 90 175.429 175.429 175.442 -0.013 19179 4656 1 11 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.815 -0.773 19179 4657 1 11 . 1 1 90 90 ASP CB C 90 42.007 42.007 42.169 -0.162 19179 4658 1 11 . 1 1 90 90 ASP H H 90 7.569 7.569 7.989 -0.420 19179 4659 1 11 . 1 1 91 91 PHE N N 91 120.531 120.531 120.961 -0.430 19179 4660 1 11 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.513 0.116 19179 4661 1 11 . 1 1 91 91 PHE C C 91 174.893 174.893 174.817 0.076 19179 4662 1 11 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.620 -0.360 19179 4663 1 11 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.331 -0.786 19179 4664 1 11 . 1 1 91 91 PHE H H 91 7.910 7.910 7.694 0.216 19179 4665 1 12 . 1 1 17 17 GLU C C 17 178.498 178.498 177.580 0.918 19179 4666 1 12 . 1 1 18 18 ALA N N 18 117.689 117.689 124.421 -6.732 19179 4667 1 12 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.538 -0.164 19179 4668 1 12 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.219 0.206 19179 4669 1 12 . 1 1 18 18 ALA H H 18 8.085 8.085 8.465 -0.380 19179 4670 1 12 . 1 1 19 19 VAL C C 19 177.450 177.450 177.208 0.242 19179 4671 1 12 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.987 0.825 19179 4672 1 12 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.539 -0.270 19179 4673 1 12 . 1 1 20 20 TYR N N 20 116.865 116.865 118.801 -1.936 19179 4674 1 12 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.177 -0.052 19179 4675 1 12 . 1 1 20 20 TYR C C 20 179.914 179.914 178.231 1.683 19179 4676 1 12 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.748 1.582 19179 4677 1 12 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.890 -0.708 19179 4678 1 12 . 1 1 20 20 TYR H H 20 8.138 8.138 8.216 -0.078 19179 4679 1 12 . 1 1 21 21 ILE N N 21 122.973 122.973 118.219 4.754 19179 4680 1 12 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.747 -0.089 19179 4681 1 12 . 1 1 21 21 ILE C C 21 176.306 176.306 177.978 -1.672 19179 4682 1 12 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.606 2.493 19179 4683 1 12 . 1 1 21 21 ILE CB C 21 37.886 37.886 36.774 1.112 19179 4684 1 12 . 1 1 21 21 ILE H H 21 8.112 8.112 8.298 -0.186 19179 4685 1 12 . 1 1 22 22 ALA N N 22 122.302 122.302 121.757 0.545 19179 4686 1 12 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.134 -0.287 19179 4687 1 12 . 1 1 22 22 ALA C C 22 179.987 179.987 178.851 1.136 19179 4688 1 12 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.026 0.158 19179 4689 1 12 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.501 0.433 19179 4690 1 12 . 1 1 22 22 ALA H H 22 7.839 7.839 7.856 -0.017 19179 4691 1 12 . 1 1 23 23 ILE N N 23 119.408 119.408 114.737 4.671 19179 4692 1 12 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.091 0.279 19179 4693 1 12 . 1 1 23 23 ILE C C 23 180.184 180.184 175.679 4.505 19179 4694 1 12 . 1 1 23 23 ILE CA C 23 63.705 63.705 61.987 1.718 19179 4695 1 12 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.732 -0.390 19179 4696 1 12 . 1 1 23 23 ILE H H 23 8.328 8.328 7.797 0.531 19179 4697 1 12 . 1 1 24 24 GLU N N 24 125.684 125.684 119.269 6.415 19179 4698 1 12 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.307 -0.419 19179 4699 1 12 . 1 1 24 24 GLU C C 24 178.861 178.861 177.327 1.534 19179 4700 1 12 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.155 -3.567 19179 4701 1 12 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.756 -0.670 19179 4702 1 12 . 1 1 24 24 GLU H H 24 8.344 8.344 8.237 0.107 19179 4703 1 12 . 1 1 25 25 ALA N N 25 117.589 117.589 121.582 -3.993 19179 4704 1 12 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.255 -0.063 19179 4705 1 12 . 1 1 25 25 ALA C C 25 177.866 177.866 177.154 0.712 19179 4706 1 12 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.150 -0.690 19179 4707 1 12 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.839 0.492 19179 4708 1 12 . 1 1 25 25 ALA H H 25 8.228 8.228 7.672 0.556 19179 4709 1 12 . 1 1 26 26 GLY N N 26 129.923 129.923 102.638 27.285 19179 4710 1 12 . 1 1 26 26 GLY C C 26 173.535 173.535 175.517 -1.982 19179 4711 1 12 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.836 -0.049 19179 4712 1 12 . 1 1 26 26 GLY H H 26 8.189 8.189 7.790 0.399 19179 4713 1 12 . 1 1 27 27 THR N N 27 119.446 119.446 116.140 3.306 19179 4714 1 12 . 1 1 27 27 THR HA H 27 4.445 4.445 4.095 0.350 19179 4715 1 12 . 1 1 27 27 THR C C 27 176.521 176.521 174.285 2.236 19179 4716 1 12 . 1 1 27 27 THR CA C 27 66.568 66.568 65.766 0.802 19179 4717 1 12 . 1 1 27 27 THR CB C 27 51.731 51.731 69.237 -17.506 19179 4718 1 12 . 1 1 27 27 THR H H 27 7.919 7.919 8.014 -0.095 19179 4719 1 12 . 1 1 28 28 LEU N N 28 119.632 119.632 113.154 6.478 19179 4720 1 12 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.554 0.459 19179 4721 1 12 . 1 1 28 28 LEU C C 28 173.798 173.798 173.753 0.045 19179 4722 1 12 . 1 1 28 28 LEU CA C 28 52.000 52.000 52.865 -0.865 19179 4723 1 12 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.995 1.827 19179 4724 1 12 . 1 1 28 28 LEU H H 28 7.026 7.026 7.189 -0.163 19179 4725 1 12 . 1 1 29 29 ALA N N 29 121.053 121.053 119.946 1.107 19179 4726 1 12 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.473 -0.081 19179 4727 1 12 . 1 1 29 29 ALA C C 29 173.471 173.471 174.481 -1.010 19179 4728 1 12 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.256 0.427 19179 4729 1 12 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.965 1.005 19179 4730 1 12 . 1 1 29 29 ALA H H 29 8.856 8.856 7.694 1.162 19179 4731 1 12 . 1 1 30 30 GLU N N 30 119.234 119.234 118.071 1.163 19179 4732 1 12 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.622 0.177 19179 4733 1 12 . 1 1 30 30 GLU C C 30 176.292 176.292 175.344 0.948 19179 4734 1 12 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.193 -0.732 19179 4735 1 12 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.504 1.631 19179 4736 1 12 . 1 1 30 30 GLU H H 30 8.244 8.244 8.231 0.013 19179 4737 1 12 . 1 1 31 31 CYS N N 31 129.774 129.774 122.800 6.974 19179 4738 1 12 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.375 -0.063 19179 4739 1 12 . 1 1 31 31 CYS C C 31 175.519 175.519 176.592 -1.073 19179 4740 1 12 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.312 1.232 19179 4741 1 12 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.546 1.042 19179 4742 1 12 . 1 1 31 31 CYS H H 31 8.586 8.586 9.024 -0.438 19179 4743 1 12 . 1 1 32 32 GLU N N 32 126.867 126.867 126.309 0.558 19179 4744 1 12 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.311 -0.222 19179 4745 1 12 . 1 1 32 32 GLU C C 32 177.061 177.061 176.574 0.487 19179 4746 1 12 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.711 0.017 19179 4747 1 12 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.824 0.609 19179 4748 1 12 . 1 1 32 32 GLU H H 32 8.756 8.756 9.100 -0.344 19179 4749 1 12 . 1 1 33 33 VAL N N 33 122.528 122.528 115.780 6.748 19179 4750 1 12 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.215 -0.397 19179 4751 1 12 . 1 1 33 33 VAL C C 33 176.434 176.434 175.028 1.406 19179 4752 1 12 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.928 2.204 19179 4753 1 12 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.767 0.977 19179 4754 1 12 . 1 1 33 33 VAL H H 33 8.935 8.935 7.836 1.099 19179 4755 1 12 . 1 1 34 34 HIS N N 34 126.015 126.015 120.576 5.439 19179 4756 1 12 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.795 -0.220 19179 4757 1 12 . 1 1 34 34 HIS C C 34 173.077 173.077 174.296 -1.219 19179 4758 1 12 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.668 2.967 19179 4759 1 12 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.805 -1.016 19179 4760 1 12 . 1 1 34 34 HIS H H 34 8.834 8.834 7.643 1.191 19179 4761 1 12 . 1 1 35 35 GLU N N 35 122.059 122.059 125.567 -3.508 19179 4762 1 12 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.379 -0.282 19179 4763 1 12 . 1 1 35 35 GLU C C 35 178.839 178.839 177.549 1.290 19179 4764 1 12 . 1 1 35 35 GLU CA C 35 58.068 58.068 56.792 1.276 19179 4765 1 12 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.520 0.213 19179 4766 1 12 . 1 1 35 35 GLU H H 35 7.643 7.643 8.810 -1.167 19179 4767 1 12 . 1 1 36 36 GLY N N 36 114.969 114.969 113.170 1.799 19179 4768 1 12 . 1 1 36 36 GLY C C 36 173.165 173.165 174.529 -1.364 19179 4769 1 12 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.979 0.007 19179 4770 1 12 . 1 1 36 36 GLY H H 36 10.615 10.615 8.864 1.751 19179 4771 1 12 . 1 1 37 37 THR N N 37 116.476 116.476 119.968 -3.492 19179 4772 1 12 . 1 1 37 37 THR HA H 37 4.466 4.466 4.724 -0.258 19179 4773 1 12 . 1 1 37 37 THR C C 37 172.121 172.121 173.104 -0.983 19179 4774 1 12 . 1 1 37 37 THR CA C 37 62.490 62.490 62.491 -0.001 19179 4775 1 12 . 1 1 37 37 THR CB C 37 68.752 68.752 68.973 -0.221 19179 4776 1 12 . 1 1 37 37 THR H H 37 7.669 7.669 7.712 -0.043 19179 4777 1 12 . 1 1 38 38 TYR N N 38 124.951 124.951 124.356 0.595 19179 4778 1 12 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.648 0.987 19179 4779 1 12 . 1 1 38 38 TYR C C 38 174.538 174.538 174.052 0.486 19179 4780 1 12 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.224 -1.223 19179 4781 1 12 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.282 -0.671 19179 4782 1 12 . 1 1 38 38 TYR H H 38 8.622 8.622 8.656 -0.034 19179 4783 1 12 . 1 1 39 39 PHE N N 39 115.194 115.194 115.066 0.128 19179 4784 1 12 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.915 0.169 19179 4785 1 12 . 1 1 39 39 PHE C C 39 173.379 173.379 172.447 0.932 19179 4786 1 12 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.824 -1.886 19179 4787 1 12 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.071 -0.851 19179 4788 1 12 . 1 1 39 39 PHE H H 39 8.483 8.483 8.774 -0.291 19179 4789 1 12 . 1 1 40 40 SER N N 40 114.429 114.429 119.386 -4.957 19179 4790 1 12 . 1 1 40 40 SER HA H 40 4.341 4.341 4.434 -0.093 19179 4791 1 12 . 1 1 40 40 SER C C 40 173.355 173.355 174.828 -1.473 19179 4792 1 12 . 1 1 40 40 SER CA C 40 60.726 60.726 57.148 3.578 19179 4793 1 12 . 1 1 40 40 SER CB C 40 63.544 63.544 65.071 -1.527 19179 4794 1 12 . 1 1 40 40 SER H H 40 9.519 9.519 8.546 0.973 19179 4795 1 12 . 1 1 41 41 ASP N N 41 125.551 125.551 124.756 0.795 19179 4796 1 12 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.427 0.486 19179 4797 1 12 . 1 1 41 41 ASP C C 41 176.230 176.230 176.068 0.162 19179 4798 1 12 . 1 1 41 41 ASP CA C 41 53.739 53.739 54.574 -0.835 19179 4799 1 12 . 1 1 41 41 ASP CB C 41 39.725 39.725 39.806 -0.081 19179 4800 1 12 . 1 1 41 41 ASP H H 41 8.431 8.431 8.287 0.144 19179 4801 1 12 . 1 1 42 42 SER N N 42 114.674 114.674 117.673 -2.999 19179 4802 1 12 . 1 1 42 42 SER HA H 42 4.370 4.370 4.388 -0.018 19179 4803 1 12 . 1 1 42 42 SER C C 42 177.229 177.229 175.663 1.566 19179 4804 1 12 . 1 1 42 42 SER CA C 42 59.770 59.770 59.176 0.594 19179 4805 1 12 . 1 1 42 42 SER CB C 42 62.951 62.951 63.659 -0.708 19179 4806 1 12 . 1 1 42 42 SER H H 42 9.001 9.001 8.002 0.999 19179 4807 1 12 . 1 1 43 43 GLY N N 43 130.573 130.573 116.275 14.298 19179 4808 1 12 . 1 1 43 43 GLY C C 43 172.823 172.823 173.591 -0.768 19179 4809 1 12 . 1 1 43 43 GLY CA C 43 45.829 45.829 45.070 0.759 19179 4810 1 12 . 1 1 43 43 GLY H H 43 8.261 8.261 8.885 -0.624 19179 4811 1 12 . 1 1 44 44 ASP N N 44 120.029 120.029 119.654 0.375 19179 4812 1 12 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.857 -0.116 19179 4813 1 12 . 1 1 44 44 ASP C C 44 176.327 176.327 175.519 0.808 19179 4814 1 12 . 1 1 44 44 ASP CA C 44 53.309 53.309 52.691 0.618 19179 4815 1 12 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.247 -1.180 19179 4816 1 12 . 1 1 44 44 ASP H H 44 8.583 8.583 7.740 0.843 19179 4817 1 12 . 1 1 45 45 ILE N N 45 129.584 129.584 122.295 7.289 19179 4818 1 12 . 1 1 45 45 ILE HA H 45 3.691 3.691 4.129 -0.438 19179 4819 1 12 . 1 1 45 45 ILE C C 45 177.352 177.352 177.619 -0.267 19179 4820 1 12 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.425 1.542 19179 4821 1 12 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.337 -0.524 19179 4822 1 12 . 1 1 45 45 ILE H H 45 8.589 8.589 8.368 0.221 19179 4823 1 12 . 1 1 46 46 SER N N 46 117.808 117.808 114.746 3.062 19179 4824 1 12 . 1 1 46 46 SER HA H 46 4.338 4.338 4.179 0.159 19179 4825 1 12 . 1 1 46 46 SER C C 46 177.116 177.116 176.108 1.008 19179 4826 1 12 . 1 1 46 46 SER CA C 46 61.744 61.744 61.014 0.730 19179 4827 1 12 . 1 1 46 46 SER CB C 46 62.502 62.502 63.129 -0.627 19179 4828 1 12 . 1 1 46 46 SER H H 46 8.275 8.275 7.934 0.341 19179 4829 1 12 . 1 1 47 47 GLU N N 47 121.839 121.839 123.754 -1.915 19179 4830 1 12 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.237 -0.195 19179 4831 1 12 . 1 1 47 47 GLU C C 47 178.981 178.981 177.485 1.496 19179 4832 1 12 . 1 1 47 47 GLU CA C 47 59.418 59.418 58.786 0.632 19179 4833 1 12 . 1 1 47 47 GLU CB C 47 29.258 29.258 28.917 0.341 19179 4834 1 12 . 1 1 47 47 GLU H H 47 7.372 7.372 8.390 -1.018 19179 4835 1 12 . 1 1 48 48 ALA N N 48 122.935 122.935 121.289 1.646 19179 4836 1 12 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.048 -0.187 19179 4837 1 12 . 1 1 48 48 ALA C C 48 178.641 178.641 179.398 -0.757 19179 4838 1 12 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.419 -0.094 19179 4839 1 12 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.424 -1.032 19179 4840 1 12 . 1 1 48 48 ALA H H 48 6.925 6.925 7.499 -0.574 19179 4841 1 12 . 1 1 49 49 GLU N N 49 118.249 118.249 120.340 -2.091 19179 4842 1 12 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.031 -0.418 19179 4843 1 12 . 1 1 49 49 GLU C C 49 177.879 177.879 178.605 -0.726 19179 4844 1 12 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.451 0.871 19179 4845 1 12 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.104 -0.236 19179 4846 1 12 . 1 1 49 49 GLU H H 49 8.288 8.288 7.735 0.553 19179 4847 1 12 . 1 1 50 50 GLU N N 50 117.450 117.450 120.667 -3.217 19179 4848 1 12 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.100 -0.178 19179 4849 1 12 . 1 1 50 50 GLU C C 50 179.532 179.532 178.920 0.612 19179 4850 1 12 . 1 1 50 50 GLU CA C 50 59.753 59.753 58.965 0.787 19179 4851 1 12 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.822 -0.794 19179 4852 1 12 . 1 1 50 50 GLU H H 50 8.108 8.108 8.117 -0.009 19179 4853 1 12 . 1 1 51 51 LEU N N 51 120.169 120.169 122.130 -1.961 19179 4854 1 12 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.124 0.183 19179 4855 1 12 . 1 1 51 51 LEU C C 51 178.285 178.285 178.789 -0.504 19179 4856 1 12 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.908 -0.470 19179 4857 1 12 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.255 -0.489 19179 4858 1 12 . 1 1 51 51 LEU H H 51 7.835 7.835 8.560 -0.725 19179 4859 1 12 . 1 1 52 52 ALA N N 52 121.167 121.167 122.135 -0.968 19179 4860 1 12 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.081 -0.286 19179 4861 1 12 . 1 1 52 52 ALA C C 52 178.611 178.611 179.132 -0.521 19179 4862 1 12 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.139 0.508 19179 4863 1 12 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.615 -0.439 19179 4864 1 12 . 1 1 52 52 ALA H H 52 8.286 8.286 8.662 -0.376 19179 4865 1 12 . 1 1 53 53 ARG N N 53 115.092 115.092 119.227 -4.135 19179 4866 1 12 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.376 -0.649 19179 4867 1 12 . 1 1 53 53 ARG C C 53 179.136 179.136 178.344 0.792 19179 4868 1 12 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.047 1.561 19179 4869 1 12 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.254 0.266 19179 4870 1 12 . 1 1 53 53 ARG H H 53 7.957 7.957 8.315 -0.358 19179 4871 1 12 . 1 1 54 54 GLU N N 54 122.263 122.263 119.207 3.056 19179 4872 1 12 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.107 -0.043 19179 4873 1 12 . 1 1 54 54 GLU C C 54 179.159 179.159 178.604 0.555 19179 4874 1 12 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.286 1.132 19179 4875 1 12 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.505 0.383 19179 4876 1 12 . 1 1 54 54 GLU H H 54 8.089 8.089 8.101 -0.012 19179 4877 1 12 . 1 1 55 55 LYS N N 55 118.511 118.511 121.019 -2.508 19179 4878 1 12 . 1 1 55 55 LYS HA H 55 3.810 3.810 3.991 -0.181 19179 4879 1 12 . 1 1 55 55 LYS C C 55 179.078 179.078 178.567 0.511 19179 4880 1 12 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.970 0.840 19179 4881 1 12 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.032 0.711 19179 4882 1 12 . 1 1 55 55 LYS H H 55 9.118 9.118 7.904 1.214 19179 4883 1 12 . 1 1 56 56 PHE N N 56 119.918 119.918 116.889 3.029 19179 4884 1 12 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.672 -0.810 19179 4885 1 12 . 1 1 56 56 PHE H H 56 8.456 8.456 8.650 -0.194 19179 4886 1 12 . 1 1 57 57 GLU N N 57 121.819 121.819 120.105 1.714 19179 4887 1 12 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.709 0.419 19179 4888 1 12 . 1 1 57 57 GLU C C 57 177.889 177.889 177.400 0.489 19179 4889 1 12 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.278 0.960 19179 4890 1 12 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.961 0.522 19179 4891 1 12 . 1 1 57 57 GLU H H 57 8.153 8.153 7.201 0.952 19179 4892 1 12 . 1 1 58 58 LYS N N 58 115.784 115.784 117.015 -1.231 19179 4893 1 12 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.440 -0.173 19179 4894 1 12 . 1 1 58 58 LYS C C 58 176.710 176.710 175.355 1.355 19179 4895 1 12 . 1 1 58 58 LYS CA C 58 56.742 56.742 54.984 1.758 19179 4896 1 12 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.314 -0.287 19179 4897 1 12 . 1 1 58 58 LYS H H 58 7.684 7.684 7.779 -0.095 19179 4898 1 12 . 1 1 59 59 GLY N N 59 130.075 130.075 108.432 21.643 19179 4899 1 12 . 1 1 59 59 GLY C C 59 175.969 175.969 173.087 2.882 19179 4900 1 12 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.081 1.249 19179 4901 1 12 . 1 1 59 59 GLY H H 59 7.644 7.644 7.838 -0.194 19179 4902 1 12 . 1 1 60 60 GLU N N 60 117.714 117.714 119.671 -1.957 19179 4903 1 12 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.527 -0.188 19179 4904 1 12 . 1 1 60 60 GLU C C 60 175.359 175.359 174.780 0.579 19179 4905 1 12 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.341 0.192 19179 4906 1 12 . 1 1 60 60 GLU CB C 60 30.356 30.356 33.026 -2.670 19179 4907 1 12 . 1 1 60 60 GLU H H 60 8.008 8.008 8.151 -0.143 19179 4908 1 12 . 1 1 61 61 VAL N N 61 120.144 120.144 114.329 5.815 19179 4909 1 12 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.621 -0.099 19179 4910 1 12 . 1 1 61 61 VAL C C 61 176.175 176.175 174.886 1.289 19179 4911 1 12 . 1 1 61 61 VAL CA C 61 61.267 61.267 60.432 0.835 19179 4912 1 12 . 1 1 61 61 VAL CB C 61 33.686 33.686 34.886 -1.200 19179 4913 1 12 . 1 1 61 61 VAL H H 61 7.745 7.745 8.258 -0.513 19179 4914 1 12 . 1 1 62 62 SER N N 62 126.283 126.283 116.037 10.246 19179 4915 1 12 . 1 1 62 62 SER HA H 62 4.644 4.644 4.442 0.202 19179 4916 1 12 . 1 1 62 62 SER C C 62 176.781 176.781 174.073 2.708 19179 4917 1 12 . 1 1 62 62 SER CA C 62 60.796 60.796 59.203 1.593 19179 4918 1 12 . 1 1 62 62 SER CB C 62 65.061 65.061 63.502 1.559 19179 4919 1 12 . 1 1 62 62 SER H H 62 11.396 11.396 8.682 2.714 19179 4920 1 12 . 1 1 63 63 ASN N N 63 118.526 118.526 117.320 1.206 19179 4921 1 12 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.780 -0.048 19179 4922 1 12 . 1 1 63 63 ASN C C 63 172.632 172.632 174.022 -1.390 19179 4923 1 12 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.718 1.869 19179 4924 1 12 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.831 0.941 19179 4925 1 12 . 1 1 63 63 ASN H H 63 10.333 10.333 8.182 2.151 19179 4926 1 12 . 1 1 64 64 PHE N N 64 112.992 112.992 119.352 -6.360 19179 4927 1 12 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.199 0.667 19179 4928 1 12 . 1 1 64 64 PHE C C 64 174.310 174.310 174.411 -0.101 19179 4929 1 12 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.406 -1.780 19179 4930 1 12 . 1 1 64 64 PHE CB C 64 42.883 42.883 37.805 5.078 19179 4931 1 12 . 1 1 64 64 PHE H H 64 6.971 6.971 8.526 -1.555 19179 4932 1 12 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.417 0.471 19179 4933 1 12 . 1 1 65 65 ASP C C 65 175.049 175.049 175.349 -0.300 19179 4934 1 12 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.183 -0.536 19179 4935 1 12 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.569 -0.202 19179 4936 1 12 . 1 1 66 66 ASP N N 66 119.568 119.568 118.689 0.879 19179 4937 1 12 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.689 0.172 19179 4938 1 12 . 1 1 66 66 ASP C C 66 175.858 175.858 176.917 -1.059 19179 4939 1 12 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.066 -0.403 19179 4940 1 12 . 1 1 66 66 ASP CB C 66 44.261 44.261 43.655 0.606 19179 4941 1 12 . 1 1 66 66 ASP H H 66 7.413 7.413 8.331 -0.918 19179 4942 1 12 . 1 1 67 67 VAL N N 67 127.826 127.826 123.152 4.674 19179 4943 1 12 . 1 1 67 67 VAL HA H 67 2.982 2.982 4.082 -1.100 19179 4944 1 12 . 1 1 67 67 VAL C C 67 175.173 175.173 176.966 -1.793 19179 4945 1 12 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.482 -2.271 19179 4946 1 12 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.548 -1.700 19179 4947 1 12 . 1 1 67 67 VAL H H 67 8.298 8.298 8.648 -0.350 19179 4948 1 12 . 1 1 68 68 GLU N N 68 120.580 120.580 119.781 0.799 19179 4949 1 12 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.146 -0.097 19179 4950 1 12 . 1 1 68 68 GLU C C 68 180.052 180.052 178.865 1.187 19179 4951 1 12 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.832 -1.974 19179 4952 1 12 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.044 -1.640 19179 4953 1 12 . 1 1 68 68 GLU H H 68 7.909 7.909 8.830 -0.921 19179 4954 1 12 . 1 1 69 69 GLU N N 69 121.347 121.347 119.740 1.607 19179 4955 1 12 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.161 -0.229 19179 4956 1 12 . 1 1 69 69 GLU C C 69 179.095 179.095 178.818 0.277 19179 4957 1 12 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.749 0.238 19179 4958 1 12 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.218 0.302 19179 4959 1 12 . 1 1 69 69 GLU H H 69 7.669 7.669 8.459 -0.790 19179 4960 1 12 . 1 1 70 70 LEU N N 70 120.330 120.330 120.128 0.202 19179 4961 1 12 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.026 -1.081 19179 4962 1 12 . 1 1 70 70 LEU C C 70 177.014 177.014 178.850 -1.836 19179 4963 1 12 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.001 -0.522 19179 4964 1 12 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.339 -1.095 19179 4965 1 12 . 1 1 70 70 LEU H H 70 7.184 7.184 8.027 -0.843 19179 4966 1 12 . 1 1 71 71 VAL N N 71 118.625 118.625 115.507 3.118 19179 4967 1 12 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.735 -0.665 19179 4968 1 12 . 1 1 71 71 VAL C C 71 177.049 177.049 177.875 -0.826 19179 4969 1 12 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.697 1.191 19179 4970 1 12 . 1 1 71 71 VAL CB C 71 31.395 31.395 31.383 0.012 19179 4971 1 12 . 1 1 71 71 VAL H H 71 8.262 8.262 8.591 -0.329 19179 4972 1 12 . 1 1 72 72 LYS N N 72 116.770 116.770 120.294 -3.524 19179 4973 1 12 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.026 -0.189 19179 4974 1 12 . 1 1 72 72 LYS C C 72 179.439 179.439 178.495 0.944 19179 4975 1 12 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.790 0.164 19179 4976 1 12 . 1 1 72 72 LYS CB C 72 32.619 32.619 32.380 0.239 19179 4977 1 12 . 1 1 72 72 LYS H H 72 7.791 7.791 8.056 -0.265 19179 4978 1 12 . 1 1 73 73 LYS N N 73 121.221 121.221 118.569 2.652 19179 4979 1 12 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.097 0.119 19179 4980 1 12 . 1 1 73 73 LYS C C 73 177.539 177.539 179.235 -1.696 19179 4981 1 12 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.009 -1.685 19179 4982 1 12 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.196 -0.290 19179 4983 1 12 . 1 1 73 73 LYS H H 73 7.796 7.796 8.164 -0.368 19179 4984 1 12 . 1 1 74 74 VAL N N 74 119.691 119.691 121.614 -1.923 19179 4985 1 12 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.727 -0.312 19179 4986 1 12 . 1 1 74 74 VAL C C 74 177.638 177.638 177.588 0.050 19179 4987 1 12 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.179 -0.316 19179 4988 1 12 . 1 1 74 74 VAL H H 74 8.445 8.445 8.296 0.149 19179 4989 1 12 . 1 1 75 75 VAL N N 75 120.095 120.095 120.043 0.052 19179 4990 1 12 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.620 -0.268 19179 4991 1 12 . 1 1 75 75 VAL C C 75 177.621 177.621 177.706 -0.085 19179 4992 1 12 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.910 1.849 19179 4993 1 12 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.024 -1.868 19179 4994 1 12 . 1 1 75 75 VAL H H 75 8.521 8.521 8.343 0.178 19179 4995 1 12 . 1 1 76 76 ALA N N 76 120.276 120.276 122.614 -2.338 19179 4996 1 12 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.991 0.200 19179 4997 1 12 . 1 1 76 76 ALA C C 76 181.968 181.968 179.625 2.343 19179 4998 1 12 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.351 0.130 19179 4999 1 12 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.465 -0.070 19179 5000 1 12 . 1 1 76 76 ALA H H 76 7.839 7.839 8.365 -0.526 19179 5001 1 12 . 1 1 77 77 VAL N N 77 114.746 114.746 119.369 -4.623 19179 5002 1 12 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.674 0.344 19179 5003 1 12 . 1 1 77 77 VAL C C 77 178.133 178.133 177.968 0.165 19179 5004 1 12 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.666 -1.136 19179 5005 1 12 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.242 -0.299 19179 5006 1 12 . 1 1 77 77 VAL H H 77 8.662 8.662 7.867 0.795 19179 5007 1 12 . 1 1 78 78 CYS N N 78 119.096 119.096 118.149 0.947 19179 5008 1 12 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.890 0.101 19179 5009 1 12 . 1 1 78 78 CYS C C 78 177.621 177.621 176.654 0.967 19179 5010 1 12 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.846 1.930 19179 5011 1 12 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.279 0.061 19179 5012 1 12 . 1 1 78 78 CYS H H 78 7.740 7.740 8.585 -0.845 19179 5013 1 12 . 1 1 79 79 GLU N N 79 118.797 118.797 119.333 -0.536 19179 5014 1 12 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.071 -0.035 19179 5015 1 12 . 1 1 79 79 GLU C C 79 179.135 179.135 177.748 1.387 19179 5016 1 12 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.437 0.463 19179 5017 1 12 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.499 0.211 19179 5018 1 12 . 1 1 79 79 GLU H H 79 8.106 8.106 7.861 0.245 19179 5019 1 12 . 1 1 80 80 GLU N N 80 119.483 119.483 118.499 0.984 19179 5020 1 12 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.174 -0.553 19179 5021 1 12 . 1 1 80 80 GLU C C 80 177.433 177.433 178.351 -0.918 19179 5022 1 12 . 1 1 80 80 GLU CA C 80 58.711 58.711 57.953 0.758 19179 5023 1 12 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.881 0.777 19179 5024 1 12 . 1 1 80 80 GLU H H 80 8.167 8.167 7.954 0.213 19179 5025 1 12 . 1 1 81 81 LEU N N 81 117.475 117.475 118.202 -0.727 19179 5026 1 12 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.353 0.299 19179 5027 1 12 . 1 1 81 81 LEU C C 81 177.355 177.355 176.951 0.404 19179 5028 1 12 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.895 -0.486 19179 5029 1 12 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.819 -1.366 19179 5030 1 12 . 1 1 81 81 LEU H H 81 8.145 8.145 7.793 0.352 19179 5031 1 12 . 1 1 82 82 GLY N N 82 127.998 127.998 106.833 21.165 19179 5032 1 12 . 1 1 82 82 GLY C C 82 175.024 175.024 173.906 1.118 19179 5033 1 12 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.771 1.868 19179 5034 1 12 . 1 1 82 82 GLY H H 82 7.218 7.218 7.377 -0.159 19179 5035 1 12 . 1 1 83 83 ALA N N 83 126.068 126.068 121.804 4.264 19179 5036 1 12 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.680 -0.179 19179 5037 1 12 . 1 1 83 83 ALA C C 83 177.567 177.567 175.891 1.676 19179 5038 1 12 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.349 0.755 19179 5039 1 12 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.289 -0.715 19179 5040 1 12 . 1 1 83 83 ALA H H 83 8.202 8.202 7.437 0.765 19179 5041 1 12 . 1 1 84 84 GLU N N 84 118.661 118.661 122.555 -3.894 19179 5042 1 12 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.721 -0.469 19179 5043 1 12 . 1 1 84 84 GLU C C 84 175.915 175.915 175.574 0.341 19179 5044 1 12 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.662 3.009 19179 5045 1 12 . 1 1 84 84 GLU CB C 84 30.666 30.666 30.052 0.614 19179 5046 1 12 . 1 1 84 84 GLU H H 84 9.004 9.004 8.905 0.099 19179 5047 1 12 . 1 1 85 85 GLU N N 85 111.162 111.162 116.241 -5.079 19179 5048 1 12 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.076 -0.195 19179 5049 1 12 . 1 1 85 85 GLU C C 85 173.815 173.815 173.808 0.007 19179 5050 1 12 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.486 -2.829 19179 5051 1 12 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.065 0.299 19179 5052 1 12 . 1 1 85 85 GLU H H 85 7.318 7.318 8.153 -0.835 19179 5053 1 12 . 1 1 86 86 CYS N N 86 122.106 122.106 122.484 -0.378 19179 5054 1 12 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.740 -0.662 19179 5055 1 12 . 1 1 86 86 CYS C C 86 177.088 177.088 176.247 0.841 19179 5056 1 12 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.300 2.170 19179 5057 1 12 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.718 4.723 19179 5058 1 12 . 1 1 86 86 CYS H H 86 8.035 8.035 8.551 -0.516 19179 5059 1 12 . 1 1 87 87 PHE N N 87 129.406 129.406 126.776 2.630 19179 5060 1 12 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.141 0.351 19179 5061 1 12 . 1 1 87 87 PHE C C 87 176.921 176.921 177.282 -0.361 19179 5062 1 12 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.499 -0.902 19179 5063 1 12 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.547 0.392 19179 5064 1 12 . 1 1 87 87 PHE H H 87 8.292 8.292 8.366 -0.074 19179 5065 1 12 . 1 1 88 88 SER N N 88 118.356 118.356 117.158 1.198 19179 5066 1 12 . 1 1 88 88 SER HA H 88 4.131 4.131 4.294 -0.163 19179 5067 1 12 . 1 1 88 88 SER C C 88 174.940 174.940 176.502 -1.562 19179 5068 1 12 . 1 1 88 88 SER CA C 88 60.832 60.832 61.085 -0.253 19179 5069 1 12 . 1 1 88 88 SER CB C 88 62.143 62.143 62.713 -0.570 19179 5070 1 12 . 1 1 88 88 SER H H 88 8.436 8.436 8.379 0.057 19179 5071 1 12 . 1 1 89 89 CYS N N 89 125.476 125.476 118.942 6.534 19179 5072 1 12 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.516 -0.403 19179 5073 1 12 . 1 1 89 89 CYS C C 89 174.660 174.660 176.030 -1.370 19179 5074 1 12 . 1 1 89 89 CYS CA C 89 63.763 63.763 60.907 2.856 19179 5075 1 12 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.579 3.856 19179 5076 1 12 . 1 1 89 89 CYS H H 89 7.699 7.699 8.019 -0.320 19179 5077 1 12 . 1 1 90 90 ASP N N 90 119.756 119.756 118.705 1.051 19179 5078 1 12 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.764 -0.247 19179 5079 1 12 . 1 1 90 90 ASP C C 90 175.429 175.429 175.944 -0.515 19179 5080 1 12 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.664 0.378 19179 5081 1 12 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.122 0.885 19179 5082 1 12 . 1 1 90 90 ASP H H 90 7.569 7.569 8.091 -0.522 19179 5083 1 12 . 1 1 91 91 PHE N N 91 120.531 120.531 121.020 -0.489 19179 5084 1 12 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.614 0.015 19179 5085 1 12 . 1 1 91 91 PHE C C 91 174.893 174.893 174.986 -0.093 19179 5086 1 12 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.812 -0.552 19179 5087 1 12 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.979 -1.434 19179 5088 1 12 . 1 1 91 91 PHE H H 91 7.910 7.910 8.246 -0.336 19179 5089 1 13 . 1 1 17 17 GLU C C 17 178.498 178.498 178.130 0.368 19179 5090 1 13 . 1 1 18 18 ALA N N 18 117.689 117.689 123.079 -5.390 19179 5091 1 13 . 1 1 18 18 ALA CA C 18 55.374 55.374 54.721 0.653 19179 5092 1 13 . 1 1 18 18 ALA CB C 18 18.425 18.425 17.984 0.441 19179 5093 1 13 . 1 1 18 18 ALA H H 18 8.085 8.085 8.389 -0.304 19179 5094 1 13 . 1 1 19 19 VAL C C 19 177.450 177.450 177.018 0.432 19179 5095 1 13 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.265 0.547 19179 5096 1 13 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.744 -0.475 19179 5097 1 13 . 1 1 20 20 TYR N N 20 116.865 116.865 118.474 -1.609 19179 5098 1 13 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.291 -0.166 19179 5099 1 13 . 1 1 20 20 TYR C C 20 179.914 179.914 178.079 1.835 19179 5100 1 13 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.942 2.388 19179 5101 1 13 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.964 -0.782 19179 5102 1 13 . 1 1 20 20 TYR H H 20 8.138 8.138 7.597 0.541 19179 5103 1 13 . 1 1 21 21 ILE N N 21 122.973 122.973 119.691 3.282 19179 5104 1 13 . 1 1 21 21 ILE HA H 21 3.658 3.658 4.088 -0.430 19179 5105 1 13 . 1 1 21 21 ILE C C 21 176.306 176.306 177.108 -0.802 19179 5106 1 13 . 1 1 21 21 ILE CA C 21 66.099 66.099 61.392 4.707 19179 5107 1 13 . 1 1 21 21 ILE CB C 21 37.886 37.886 36.896 0.990 19179 5108 1 13 . 1 1 21 21 ILE H H 21 8.112 8.112 8.627 -0.515 19179 5109 1 13 . 1 1 22 22 ALA N N 22 122.302 122.302 122.595 -0.293 19179 5110 1 13 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.096 -0.249 19179 5111 1 13 . 1 1 22 22 ALA C C 22 179.987 179.987 179.735 0.252 19179 5112 1 13 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.355 -0.172 19179 5113 1 13 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.821 0.113 19179 5114 1 13 . 1 1 22 22 ALA H H 22 7.839 7.839 7.778 0.061 19179 5115 1 13 . 1 1 23 23 ILE N N 23 119.408 119.408 114.735 4.673 19179 5116 1 13 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.836 0.534 19179 5117 1 13 . 1 1 23 23 ILE C C 23 180.184 180.184 176.781 3.403 19179 5118 1 13 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.148 -0.443 19179 5119 1 13 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.849 0.493 19179 5120 1 13 . 1 1 23 23 ILE H H 23 8.328 8.328 8.386 -0.058 19179 5121 1 13 . 1 1 24 24 GLU N N 24 125.684 125.684 120.020 5.664 19179 5122 1 13 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.238 -0.350 19179 5123 1 13 . 1 1 24 24 GLU C C 24 178.861 178.861 177.749 1.112 19179 5124 1 13 . 1 1 24 24 GLU CA C 24 52.588 52.588 57.117 -4.529 19179 5125 1 13 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.332 -0.246 19179 5126 1 13 . 1 1 24 24 GLU H H 24 8.344 8.344 8.070 0.274 19179 5127 1 13 . 1 1 25 25 ALA N N 25 117.589 117.589 121.404 -3.815 19179 5128 1 13 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.174 0.018 19179 5129 1 13 . 1 1 25 25 ALA C C 25 177.866 177.866 177.501 0.365 19179 5130 1 13 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.213 -0.753 19179 5131 1 13 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.694 0.637 19179 5132 1 13 . 1 1 25 25 ALA H H 25 8.228 8.228 7.687 0.541 19179 5133 1 13 . 1 1 26 26 GLY N N 26 129.923 129.923 102.913 27.010 19179 5134 1 13 . 1 1 26 26 GLY C C 26 173.535 173.535 175.282 -1.747 19179 5135 1 13 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.154 -0.367 19179 5136 1 13 . 1 1 26 26 GLY H H 26 8.189 8.189 7.548 0.641 19179 5137 1 13 . 1 1 27 27 THR N N 27 119.446 119.446 117.394 2.052 19179 5138 1 13 . 1 1 27 27 THR HA H 27 4.445 4.445 4.092 0.353 19179 5139 1 13 . 1 1 27 27 THR C C 27 176.521 176.521 174.757 1.764 19179 5140 1 13 . 1 1 27 27 THR CA C 27 66.568 66.568 66.468 0.100 19179 5141 1 13 . 1 1 27 27 THR CB C 27 51.731 51.731 69.398 -17.667 19179 5142 1 13 . 1 1 27 27 THR H H 27 7.919 7.919 7.757 0.162 19179 5143 1 13 . 1 1 28 28 LEU N N 28 119.632 119.632 114.803 4.829 19179 5144 1 13 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.544 0.469 19179 5145 1 13 . 1 1 28 28 LEU C C 28 173.798 173.798 174.351 -0.553 19179 5146 1 13 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.190 -1.190 19179 5147 1 13 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.382 2.439 19179 5148 1 13 . 1 1 28 28 LEU H H 28 7.026 7.026 7.679 -0.653 19179 5149 1 13 . 1 1 29 29 ALA N N 29 121.053 121.053 118.956 2.097 19179 5150 1 13 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.535 -0.143 19179 5151 1 13 . 1 1 29 29 ALA C C 29 173.471 173.471 174.142 -0.671 19179 5152 1 13 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.536 0.147 19179 5153 1 13 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.175 1.794 19179 5154 1 13 . 1 1 29 29 ALA H H 29 8.856 8.856 8.042 0.814 19179 5155 1 13 . 1 1 30 30 GLU N N 30 119.234 119.234 119.717 -0.483 19179 5156 1 13 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.518 0.281 19179 5157 1 13 . 1 1 30 30 GLU C C 30 176.292 176.292 175.138 1.154 19179 5158 1 13 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.398 -0.937 19179 5159 1 13 . 1 1 30 30 GLU CB C 30 33.135 33.135 30.860 2.275 19179 5160 1 13 . 1 1 30 30 GLU H H 30 8.244 8.244 8.215 0.029 19179 5161 1 13 . 1 1 31 31 CYS N N 31 129.774 129.774 123.603 6.171 19179 5162 1 13 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.294 0.018 19179 5163 1 13 . 1 1 31 31 CYS C C 31 175.519 175.519 176.332 -0.813 19179 5164 1 13 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.512 1.032 19179 5165 1 13 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.627 0.961 19179 5166 1 13 . 1 1 31 31 CYS H H 31 8.586 8.586 8.420 0.166 19179 5167 1 13 . 1 1 32 32 GLU N N 32 126.867 126.867 126.743 0.124 19179 5168 1 13 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.078 0.011 19179 5169 1 13 . 1 1 32 32 GLU C C 32 177.061 177.061 176.305 0.756 19179 5170 1 13 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.748 -0.020 19179 5171 1 13 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.503 0.930 19179 5172 1 13 . 1 1 32 32 GLU H H 32 8.756 8.756 8.769 -0.013 19179 5173 1 13 . 1 1 33 33 VAL N N 33 122.528 122.528 116.553 5.975 19179 5174 1 13 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.216 -0.398 19179 5175 1 13 . 1 1 33 33 VAL C C 33 176.434 176.434 175.136 1.298 19179 5176 1 13 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.099 2.033 19179 5177 1 13 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.616 1.128 19179 5178 1 13 . 1 1 33 33 VAL H H 33 8.935 8.935 7.734 1.201 19179 5179 1 13 . 1 1 34 34 HIS N N 34 126.015 126.015 121.395 4.620 19179 5180 1 13 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.686 -0.111 19179 5181 1 13 . 1 1 34 34 HIS C C 34 173.077 173.077 174.018 -0.941 19179 5182 1 13 . 1 1 34 34 HIS CA C 34 56.635 56.635 54.088 2.547 19179 5183 1 13 . 1 1 34 34 HIS CB C 34 28.789 28.789 28.196 0.593 19179 5184 1 13 . 1 1 34 34 HIS H H 34 8.834 8.834 7.697 1.137 19179 5185 1 13 . 1 1 35 35 GLU N N 35 122.059 122.059 126.396 -4.337 19179 5186 1 13 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.194 -0.097 19179 5187 1 13 . 1 1 35 35 GLU C C 35 178.839 178.839 177.270 1.569 19179 5188 1 13 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.084 0.984 19179 5189 1 13 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.538 0.195 19179 5190 1 13 . 1 1 35 35 GLU H H 35 7.643 7.643 8.558 -0.915 19179 5191 1 13 . 1 1 36 36 GLY N N 36 114.969 114.969 115.825 -0.856 19179 5192 1 13 . 1 1 36 36 GLY C C 36 173.165 173.165 174.423 -1.258 19179 5193 1 13 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.279 -0.293 19179 5194 1 13 . 1 1 36 36 GLY H H 36 10.615 10.615 8.944 1.671 19179 5195 1 13 . 1 1 37 37 THR N N 37 116.476 116.476 119.856 -3.380 19179 5196 1 13 . 1 1 37 37 THR HA H 37 4.466 4.466 4.615 -0.149 19179 5197 1 13 . 1 1 37 37 THR C C 37 172.121 172.121 172.976 -0.855 19179 5198 1 13 . 1 1 37 37 THR CA C 37 62.490 62.490 62.790 -0.300 19179 5199 1 13 . 1 1 37 37 THR CB C 37 68.752 68.752 68.754 -0.002 19179 5200 1 13 . 1 1 37 37 THR H H 37 7.669 7.669 7.540 0.129 19179 5201 1 13 . 1 1 38 38 TYR N N 38 124.951 124.951 124.404 0.547 19179 5202 1 13 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.569 1.066 19179 5203 1 13 . 1 1 38 38 TYR C C 38 174.538 174.538 173.920 0.618 19179 5204 1 13 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.363 -1.362 19179 5205 1 13 . 1 1 38 38 TYR CB C 38 42.611 42.611 42.834 -0.223 19179 5206 1 13 . 1 1 38 38 TYR H H 38 8.622 8.622 8.513 0.109 19179 5207 1 13 . 1 1 39 39 PHE N N 39 115.194 115.194 117.532 -2.338 19179 5208 1 13 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.985 0.099 19179 5209 1 13 . 1 1 39 39 PHE C C 39 173.379 173.379 172.614 0.765 19179 5210 1 13 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.321 -1.383 19179 5211 1 13 . 1 1 39 39 PHE CB C 39 39.220 39.220 41.137 -1.917 19179 5212 1 13 . 1 1 39 39 PHE H H 39 8.483 8.483 8.789 -0.306 19179 5213 1 13 . 1 1 40 40 SER N N 40 114.429 114.429 120.268 -5.839 19179 5214 1 13 . 1 1 40 40 SER HA H 40 4.341 4.341 4.529 -0.188 19179 5215 1 13 . 1 1 40 40 SER C C 40 173.355 173.355 174.169 -0.814 19179 5216 1 13 . 1 1 40 40 SER CA C 40 60.726 60.726 56.566 4.160 19179 5217 1 13 . 1 1 40 40 SER CB C 40 63.544 63.544 65.488 -1.944 19179 5218 1 13 . 1 1 40 40 SER H H 40 9.519 9.519 8.317 1.202 19179 5219 1 13 . 1 1 41 41 ASP N N 41 125.551 125.551 124.018 1.533 19179 5220 1 13 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.578 0.335 19179 5221 1 13 . 1 1 41 41 ASP C C 41 176.230 176.230 176.058 0.172 19179 5222 1 13 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.513 -1.774 19179 5223 1 13 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.199 -1.474 19179 5224 1 13 . 1 1 41 41 ASP H H 41 8.431 8.431 8.378 0.053 19179 5225 1 13 . 1 1 42 42 SER N N 42 114.674 114.674 120.373 -5.699 19179 5226 1 13 . 1 1 42 42 SER HA H 42 4.370 4.370 4.421 -0.051 19179 5227 1 13 . 1 1 42 42 SER C C 42 177.229 177.229 175.665 1.564 19179 5228 1 13 . 1 1 42 42 SER CA C 42 59.770 59.770 60.301 -0.531 19179 5229 1 13 . 1 1 42 42 SER CB C 42 62.951 62.951 63.615 -0.664 19179 5230 1 13 . 1 1 42 42 SER H H 42 9.001 9.001 8.226 0.775 19179 5231 1 13 . 1 1 43 43 GLY N N 43 130.573 130.573 114.279 16.294 19179 5232 1 13 . 1 1 43 43 GLY C C 43 172.823 172.823 173.837 -1.014 19179 5233 1 13 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.854 0.975 19179 5234 1 13 . 1 1 43 43 GLY H H 43 8.261 8.261 8.884 -0.623 19179 5235 1 13 . 1 1 44 44 ASP N N 44 120.029 120.029 121.528 -1.499 19179 5236 1 13 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.938 -0.197 19179 5237 1 13 . 1 1 44 44 ASP C C 44 176.327 176.327 176.316 0.011 19179 5238 1 13 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.591 -0.282 19179 5239 1 13 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.464 -1.397 19179 5240 1 13 . 1 1 44 44 ASP H H 44 8.583 8.583 7.834 0.749 19179 5241 1 13 . 1 1 45 45 ILE N N 45 129.584 129.584 123.689 5.895 19179 5242 1 13 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.940 -0.249 19179 5243 1 13 . 1 1 45 45 ILE C C 45 177.352 177.352 177.699 -0.347 19179 5244 1 13 . 1 1 45 45 ILE CA C 45 64.967 64.967 62.832 2.135 19179 5245 1 13 . 1 1 45 45 ILE CB C 45 37.813 37.813 37.951 -0.138 19179 5246 1 13 . 1 1 45 45 ILE H H 45 8.589 8.589 8.513 0.076 19179 5247 1 13 . 1 1 46 46 SER N N 46 117.808 117.808 116.414 1.394 19179 5248 1 13 . 1 1 46 46 SER HA H 46 4.338 4.338 4.216 0.122 19179 5249 1 13 . 1 1 46 46 SER C C 46 177.116 177.116 176.378 0.738 19179 5250 1 13 . 1 1 46 46 SER CA C 46 61.744 61.744 60.811 0.933 19179 5251 1 13 . 1 1 46 46 SER CB C 46 62.502 62.502 63.206 -0.704 19179 5252 1 13 . 1 1 46 46 SER H H 46 8.275 8.275 8.108 0.167 19179 5253 1 13 . 1 1 47 47 GLU N N 47 121.839 121.839 122.471 -0.632 19179 5254 1 13 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.059 -0.017 19179 5255 1 13 . 1 1 47 47 GLU C C 47 178.981 178.981 178.055 0.926 19179 5256 1 13 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.420 -0.002 19179 5257 1 13 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.307 -0.049 19179 5258 1 13 . 1 1 47 47 GLU H H 47 7.372 7.372 8.025 -0.653 19179 5259 1 13 . 1 1 48 48 ALA N N 48 122.935 122.935 121.621 1.314 19179 5260 1 13 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.129 -0.268 19179 5261 1 13 . 1 1 48 48 ALA C C 48 178.641 178.641 179.624 -0.983 19179 5262 1 13 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.257 0.068 19179 5263 1 13 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.409 -1.017 19179 5264 1 13 . 1 1 48 48 ALA H H 48 6.925 6.925 7.571 -0.646 19179 5265 1 13 . 1 1 49 49 GLU N N 49 118.249 118.249 119.587 -1.338 19179 5266 1 13 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.037 -0.424 19179 5267 1 13 . 1 1 49 49 GLU C C 49 177.879 177.879 178.621 -0.742 19179 5268 1 13 . 1 1 49 49 GLU CA C 49 60.322 60.322 58.873 1.449 19179 5269 1 13 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.210 -0.342 19179 5270 1 13 . 1 1 49 49 GLU H H 49 8.288 8.288 7.973 0.315 19179 5271 1 13 . 1 1 50 50 GLU N N 50 117.450 117.450 121.254 -3.804 19179 5272 1 13 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.055 -0.133 19179 5273 1 13 . 1 1 50 50 GLU C C 50 179.532 179.532 178.980 0.552 19179 5274 1 13 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.391 0.362 19179 5275 1 13 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.709 -0.681 19179 5276 1 13 . 1 1 50 50 GLU H H 50 8.108 8.108 7.896 0.212 19179 5277 1 13 . 1 1 51 51 LEU N N 51 120.169 120.169 119.371 0.798 19179 5278 1 13 . 1 1 51 51 LEU HA H 51 4.307 4.307 3.941 0.366 19179 5279 1 13 . 1 1 51 51 LEU C C 51 178.285 178.285 179.153 -0.868 19179 5280 1 13 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.163 -0.725 19179 5281 1 13 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.736 -0.970 19179 5282 1 13 . 1 1 51 51 LEU H H 51 7.835 7.835 8.552 -0.717 19179 5283 1 13 . 1 1 52 52 ALA N N 52 121.167 121.167 120.937 0.230 19179 5284 1 13 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.127 -0.332 19179 5285 1 13 . 1 1 52 52 ALA C C 52 178.611 178.611 179.825 -1.214 19179 5286 1 13 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.839 0.808 19179 5287 1 13 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.327 -0.151 19179 5288 1 13 . 1 1 52 52 ALA H H 52 8.286 8.286 8.200 0.086 19179 5289 1 13 . 1 1 53 53 ARG N N 53 115.092 115.092 119.939 -4.847 19179 5290 1 13 . 1 1 53 53 ARG HA H 53 3.727 3.727 3.955 -0.228 19179 5291 1 13 . 1 1 53 53 ARG C C 53 179.136 179.136 178.495 0.641 19179 5292 1 13 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.702 0.906 19179 5293 1 13 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.153 -0.633 19179 5294 1 13 . 1 1 53 53 ARG H H 53 7.957 7.957 8.467 -0.510 19179 5295 1 13 . 1 1 54 54 GLU N N 54 122.263 122.263 119.460 2.803 19179 5296 1 13 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.144 -0.080 19179 5297 1 13 . 1 1 54 54 GLU C C 54 179.159 179.159 178.669 0.490 19179 5298 1 13 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.291 0.127 19179 5299 1 13 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.677 0.211 19179 5300 1 13 . 1 1 54 54 GLU H H 54 8.089 8.089 8.217 -0.128 19179 5301 1 13 . 1 1 55 55 LYS N N 55 118.511 118.511 119.949 -1.438 19179 5302 1 13 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.046 -0.236 19179 5303 1 13 . 1 1 55 55 LYS C C 55 179.078 179.078 179.483 -0.405 19179 5304 1 13 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.098 0.712 19179 5305 1 13 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.042 0.701 19179 5306 1 13 . 1 1 55 55 LYS H H 55 9.118 9.118 8.481 0.637 19179 5307 1 13 . 1 1 56 56 PHE N N 56 119.918 119.918 119.631 0.287 19179 5308 1 13 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.276 -0.414 19179 5309 1 13 . 1 1 56 56 PHE H H 56 8.456 8.456 8.743 -0.287 19179 5310 1 13 . 1 1 57 57 GLU N N 57 121.819 121.819 119.797 2.022 19179 5311 1 13 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.172 -0.044 19179 5312 1 13 . 1 1 57 57 GLU C C 57 177.889 177.889 177.804 0.085 19179 5313 1 13 . 1 1 57 57 GLU CA C 57 59.238 59.238 57.862 1.376 19179 5314 1 13 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.309 0.174 19179 5315 1 13 . 1 1 57 57 GLU H H 57 8.153 8.153 8.010 0.143 19179 5316 1 13 . 1 1 58 58 LYS N N 58 115.784 115.784 118.387 -2.603 19179 5317 1 13 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.301 -0.034 19179 5318 1 13 . 1 1 58 58 LYS C C 58 176.710 176.710 176.272 0.438 19179 5319 1 13 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.724 1.018 19179 5320 1 13 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.647 0.380 19179 5321 1 13 . 1 1 58 58 LYS H H 58 7.684 7.684 7.970 -0.286 19179 5322 1 13 . 1 1 59 59 GLY N N 59 130.075 130.075 107.978 22.097 19179 5323 1 13 . 1 1 59 59 GLY C C 59 175.969 175.969 172.842 3.127 19179 5324 1 13 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.032 1.298 19179 5325 1 13 . 1 1 59 59 GLY H H 59 7.644 7.644 7.689 -0.045 19179 5326 1 13 . 1 1 60 60 GLU N N 60 117.714 117.714 121.296 -3.582 19179 5327 1 13 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.541 -0.202 19179 5328 1 13 . 1 1 60 60 GLU C C 60 175.359 175.359 175.342 0.017 19179 5329 1 13 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.093 0.440 19179 5330 1 13 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.864 -0.508 19179 5331 1 13 . 1 1 60 60 GLU H H 60 8.008 8.008 8.180 -0.172 19179 5332 1 13 . 1 1 61 61 VAL N N 61 120.144 120.144 118.804 1.340 19179 5333 1 13 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.536 -0.014 19179 5334 1 13 . 1 1 61 61 VAL C C 61 176.175 176.175 175.935 0.240 19179 5335 1 13 . 1 1 61 61 VAL CA C 61 61.267 61.267 60.770 0.497 19179 5336 1 13 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.092 1.594 19179 5337 1 13 . 1 1 61 61 VAL H H 61 7.745 7.745 7.880 -0.135 19179 5338 1 13 . 1 1 62 62 SER N N 62 126.283 126.283 121.562 4.721 19179 5339 1 13 . 1 1 62 62 SER HA H 62 4.644 4.644 4.123 0.521 19179 5340 1 13 . 1 1 62 62 SER C C 62 176.781 176.781 174.525 2.256 19179 5341 1 13 . 1 1 62 62 SER CA C 62 60.796 60.796 60.284 0.512 19179 5342 1 13 . 1 1 62 62 SER CB C 62 65.061 65.061 63.550 1.511 19179 5343 1 13 . 1 1 62 62 SER H H 62 11.396 11.396 8.764 2.632 19179 5344 1 13 . 1 1 63 63 ASN N N 63 118.526 118.526 118.162 0.364 19179 5345 1 13 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.906 -0.174 19179 5346 1 13 . 1 1 63 63 ASN C C 63 172.632 172.632 174.897 -2.265 19179 5347 1 13 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.380 2.205 19179 5348 1 13 . 1 1 63 63 ASN CB C 63 39.772 39.772 39.701 0.071 19179 5349 1 13 . 1 1 63 63 ASN H H 63 10.333 10.333 7.728 2.605 19179 5350 1 13 . 1 1 64 64 PHE N N 64 112.992 112.992 121.321 -8.329 19179 5351 1 13 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.368 0.498 19179 5352 1 13 . 1 1 64 64 PHE C C 64 174.310 174.310 176.870 -2.560 19179 5353 1 13 . 1 1 64 64 PHE CA C 64 56.626 56.626 60.599 -3.973 19179 5354 1 13 . 1 1 64 64 PHE CB C 64 42.883 42.883 39.419 3.465 19179 5355 1 13 . 1 1 64 64 PHE H H 64 6.971 6.971 9.066 -2.095 19179 5356 1 13 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.693 0.195 19179 5357 1 13 . 1 1 65 65 ASP C C 65 175.049 175.049 176.178 -1.129 19179 5358 1 13 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.234 -1.587 19179 5359 1 13 . 1 1 65 65 ASP CB C 65 41.367 41.367 40.666 0.701 19179 5360 1 13 . 1 1 66 66 ASP N N 66 119.568 119.568 118.639 0.929 19179 5361 1 13 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.774 0.087 19179 5362 1 13 . 1 1 66 66 ASP C C 66 175.858 175.858 176.408 -0.550 19179 5363 1 13 . 1 1 66 66 ASP CA C 66 52.663 52.663 52.823 -0.160 19179 5364 1 13 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.378 2.883 19179 5365 1 13 . 1 1 66 66 ASP H H 66 7.413 7.413 7.723 -0.310 19179 5366 1 13 . 1 1 67 67 VAL N N 67 127.826 127.826 121.066 6.760 19179 5367 1 13 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.464 -0.482 19179 5368 1 13 . 1 1 67 67 VAL C C 67 175.173 175.173 176.810 -1.637 19179 5369 1 13 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.439 -2.228 19179 5370 1 13 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.158 -1.310 19179 5371 1 13 . 1 1 67 67 VAL H H 67 8.298 8.298 7.145 1.153 19179 5372 1 13 . 1 1 68 68 GLU N N 68 120.580 120.580 117.943 2.637 19179 5373 1 13 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.941 0.108 19179 5374 1 13 . 1 1 68 68 GLU C C 68 180.052 180.052 178.620 1.432 19179 5375 1 13 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.296 -2.438 19179 5376 1 13 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.944 -1.540 19179 5377 1 13 . 1 1 68 68 GLU H H 68 7.909 7.909 8.754 -0.845 19179 5378 1 13 . 1 1 69 69 GLU N N 69 121.347 121.347 120.653 0.694 19179 5379 1 13 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.120 -0.188 19179 5380 1 13 . 1 1 69 69 GLU C C 69 179.095 179.095 178.614 0.481 19179 5381 1 13 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.864 0.123 19179 5382 1 13 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.413 0.107 19179 5383 1 13 . 1 1 69 69 GLU H H 69 7.669 7.669 7.877 -0.208 19179 5384 1 13 . 1 1 70 70 LEU N N 70 120.330 120.330 121.161 -0.831 19179 5385 1 13 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.932 -0.987 19179 5386 1 13 . 1 1 70 70 LEU C C 70 177.014 177.014 178.450 -1.436 19179 5387 1 13 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.202 -0.723 19179 5388 1 13 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.275 -1.031 19179 5389 1 13 . 1 1 70 70 LEU H H 70 7.184 7.184 8.143 -0.959 19179 5390 1 13 . 1 1 71 71 VAL N N 71 118.625 118.625 114.970 3.655 19179 5391 1 13 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.600 -0.530 19179 5392 1 13 . 1 1 71 71 VAL C C 71 177.049 177.049 177.935 -0.886 19179 5393 1 13 . 1 1 71 71 VAL CA C 71 67.888 67.888 65.762 2.126 19179 5394 1 13 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.547 0.848 19179 5395 1 13 . 1 1 71 71 VAL H H 71 8.262 8.262 8.325 -0.063 19179 5396 1 13 . 1 1 72 72 LYS N N 72 116.770 116.770 120.642 -3.872 19179 5397 1 13 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.972 -0.135 19179 5398 1 13 . 1 1 72 72 LYS C C 72 179.439 179.439 179.172 0.267 19179 5399 1 13 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.278 0.676 19179 5400 1 13 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.774 0.845 19179 5401 1 13 . 1 1 72 72 LYS H H 72 7.791 7.791 7.700 0.091 19179 5402 1 13 . 1 1 73 73 LYS N N 73 121.221 121.221 119.467 1.754 19179 5403 1 13 . 1 1 73 73 LYS HA H 73 4.216 4.216 3.989 0.227 19179 5404 1 13 . 1 1 73 73 LYS C C 73 177.539 177.539 179.063 -1.524 19179 5405 1 13 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.754 -2.430 19179 5406 1 13 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.209 -0.303 19179 5407 1 13 . 1 1 73 73 LYS H H 73 7.796 7.796 7.963 -0.167 19179 5408 1 13 . 1 1 74 74 VAL N N 74 119.691 119.691 121.432 -1.741 19179 5409 1 13 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.649 -0.234 19179 5410 1 13 . 1 1 74 74 VAL C C 74 177.638 177.638 177.705 -0.067 19179 5411 1 13 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.382 -0.519 19179 5412 1 13 . 1 1 74 74 VAL H H 74 8.445 8.445 7.851 0.594 19179 5413 1 13 . 1 1 75 75 VAL N N 75 120.095 120.095 120.667 -0.572 19179 5414 1 13 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.622 -0.270 19179 5415 1 13 . 1 1 75 75 VAL C C 75 177.621 177.621 177.992 -0.371 19179 5416 1 13 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.231 1.528 19179 5417 1 13 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.041 -1.885 19179 5418 1 13 . 1 1 75 75 VAL H H 75 8.521 8.521 8.245 0.276 19179 5419 1 13 . 1 1 76 76 ALA N N 76 120.276 120.276 122.845 -2.569 19179 5420 1 13 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.007 0.184 19179 5421 1 13 . 1 1 76 76 ALA C C 76 181.968 181.968 179.915 2.053 19179 5422 1 13 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.238 0.243 19179 5423 1 13 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.520 -0.125 19179 5424 1 13 . 1 1 76 76 ALA H H 76 7.839 7.839 8.180 -0.341 19179 5425 1 13 . 1 1 77 77 VAL N N 77 114.746 114.746 118.589 -3.843 19179 5426 1 13 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.637 0.381 19179 5427 1 13 . 1 1 77 77 VAL C C 77 178.133 178.133 177.781 0.352 19179 5428 1 13 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.441 -0.911 19179 5429 1 13 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.440 -0.497 19179 5430 1 13 . 1 1 77 77 VAL H H 77 8.662 8.662 8.167 0.495 19179 5431 1 13 . 1 1 78 78 CYS N N 78 119.096 119.096 118.840 0.256 19179 5432 1 13 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.877 0.114 19179 5433 1 13 . 1 1 78 78 CYS C C 78 177.621 177.621 176.365 1.256 19179 5434 1 13 . 1 1 78 78 CYS CA C 78 64.776 64.776 64.215 0.561 19179 5435 1 13 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.447 -0.107 19179 5436 1 13 . 1 1 78 78 CYS H H 78 7.740 7.740 8.338 -0.598 19179 5437 1 13 . 1 1 79 79 GLU N N 79 118.797 118.797 118.914 -0.117 19179 5438 1 13 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.040 -0.004 19179 5439 1 13 . 1 1 79 79 GLU C C 79 179.135 179.135 179.282 -0.147 19179 5440 1 13 . 1 1 79 79 GLU CA C 79 58.900 58.900 59.088 -0.188 19179 5441 1 13 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.579 0.131 19179 5442 1 13 . 1 1 79 79 GLU H H 79 8.106 8.106 8.035 0.071 19179 5443 1 13 . 1 1 80 80 GLU N N 80 119.483 119.483 119.898 -0.415 19179 5444 1 13 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.151 -0.530 19179 5445 1 13 . 1 1 80 80 GLU C C 80 177.433 177.433 178.045 -0.612 19179 5446 1 13 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.366 0.345 19179 5447 1 13 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.943 0.715 19179 5448 1 13 . 1 1 80 80 GLU H H 80 8.167 8.167 8.287 -0.120 19179 5449 1 13 . 1 1 81 81 LEU N N 81 117.475 117.475 118.822 -1.347 19179 5450 1 13 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.296 0.356 19179 5451 1 13 . 1 1 81 81 LEU C C 81 177.355 177.355 176.680 0.675 19179 5452 1 13 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.634 -0.225 19179 5453 1 13 . 1 1 81 81 LEU CB C 81 41.453 41.453 41.808 -0.355 19179 5454 1 13 . 1 1 81 81 LEU H H 81 8.145 8.145 7.877 0.268 19179 5455 1 13 . 1 1 82 82 GLY N N 82 127.998 127.998 107.128 20.870 19179 5456 1 13 . 1 1 82 82 GLY C C 82 175.024 175.024 174.343 0.681 19179 5457 1 13 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.960 1.679 19179 5458 1 13 . 1 1 82 82 GLY H H 82 7.218 7.218 7.325 -0.107 19179 5459 1 13 . 1 1 83 83 ALA N N 83 126.068 126.068 122.023 4.045 19179 5460 1 13 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.433 0.068 19179 5461 1 13 . 1 1 83 83 ALA C C 83 177.567 177.567 177.173 0.394 19179 5462 1 13 . 1 1 83 83 ALA CA C 83 52.104 52.104 52.465 -0.361 19179 5463 1 13 . 1 1 83 83 ALA CB C 83 20.574 20.574 18.510 2.064 19179 5464 1 13 . 1 1 83 83 ALA H H 83 8.202 8.202 7.315 0.887 19179 5465 1 13 . 1 1 84 84 GLU N N 84 118.661 118.661 124.627 -5.966 19179 5466 1 13 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.643 -0.391 19179 5467 1 13 . 1 1 84 84 GLU C C 84 175.915 175.915 176.295 -0.380 19179 5468 1 13 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.390 2.281 19179 5469 1 13 . 1 1 84 84 GLU CB C 84 30.666 30.666 32.745 -2.079 19179 5470 1 13 . 1 1 84 84 GLU H H 84 9.004 9.004 8.766 0.238 19179 5471 1 13 . 1 1 85 85 GLU N N 85 111.162 111.162 115.665 -4.503 19179 5472 1 13 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.492 -0.611 19179 5473 1 13 . 1 1 85 85 GLU C C 85 173.815 173.815 174.559 -0.744 19179 5474 1 13 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.271 -2.614 19179 5475 1 13 . 1 1 85 85 GLU CB C 85 32.364 32.364 30.216 2.148 19179 5476 1 13 . 1 1 85 85 GLU H H 85 7.318 7.318 7.817 -0.499 19179 5477 1 13 . 1 1 86 86 CYS N N 86 122.106 122.106 119.695 2.411 19179 5478 1 13 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.983 -0.905 19179 5479 1 13 . 1 1 86 86 CYS C C 86 177.088 177.088 175.482 1.606 19179 5480 1 13 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.489 1.981 19179 5481 1 13 . 1 1 86 86 CYS CB C 86 29.441 29.441 26.796 2.645 19179 5482 1 13 . 1 1 86 86 CYS H H 86 8.035 8.035 8.383 -0.348 19179 5483 1 13 . 1 1 87 87 PHE N N 87 129.406 129.406 124.474 4.932 19179 5484 1 13 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.559 -0.067 19179 5485 1 13 . 1 1 87 87 PHE C C 87 176.921 176.921 176.884 0.037 19179 5486 1 13 . 1 1 87 87 PHE CA C 87 59.597 59.597 57.967 1.630 19179 5487 1 13 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.413 0.526 19179 5488 1 13 . 1 1 87 87 PHE H H 87 8.292 8.292 8.953 -0.661 19179 5489 1 13 . 1 1 88 88 SER N N 88 118.356 118.356 117.652 0.704 19179 5490 1 13 . 1 1 88 88 SER HA H 88 4.131 4.131 3.909 0.222 19179 5491 1 13 . 1 1 88 88 SER C C 88 174.940 174.940 175.556 -0.616 19179 5492 1 13 . 1 1 88 88 SER CA C 88 60.832 60.832 60.582 0.250 19179 5493 1 13 . 1 1 88 88 SER CB C 88 62.143 62.143 61.992 0.151 19179 5494 1 13 . 1 1 88 88 SER H H 88 8.436 8.436 7.876 0.560 19179 5495 1 13 . 1 1 89 89 CYS N N 89 125.476 125.476 118.084 7.392 19179 5496 1 13 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.446 -0.333 19179 5497 1 13 . 1 1 89 89 CYS C C 89 174.660 174.660 176.353 -1.693 19179 5498 1 13 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.052 2.711 19179 5499 1 13 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.662 3.773 19179 5500 1 13 . 1 1 89 89 CYS H H 89 7.699 7.699 8.003 -0.304 19179 5501 1 13 . 1 1 90 90 ASP N N 90 119.756 119.756 118.083 1.673 19179 5502 1 13 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.808 -0.291 19179 5503 1 13 . 1 1 90 90 ASP C C 90 175.429 175.429 175.327 0.102 19179 5504 1 13 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.260 -0.218 19179 5505 1 13 . 1 1 90 90 ASP CB C 90 42.007 42.007 42.934 -0.927 19179 5506 1 13 . 1 1 90 90 ASP H H 90 7.569 7.569 8.262 -0.693 19179 5507 1 13 . 1 1 91 91 PHE N N 91 120.531 120.531 121.623 -1.092 19179 5508 1 13 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.506 0.123 19179 5509 1 13 . 1 1 91 91 PHE C C 91 174.893 174.893 174.411 0.482 19179 5510 1 13 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.643 -0.383 19179 5511 1 13 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.196 -0.651 19179 5512 1 13 . 1 1 91 91 PHE H H 91 7.910 7.910 7.378 0.532 19179 5513 1 14 . 1 1 17 17 GLU C C 17 178.498 178.498 177.431 1.067 19179 5514 1 14 . 1 1 18 18 ALA N N 18 117.689 117.689 123.565 -5.876 19179 5515 1 14 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.818 -0.444 19179 5516 1 14 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.353 0.072 19179 5517 1 14 . 1 1 18 18 ALA H H 18 8.085 8.085 8.630 -0.545 19179 5518 1 14 . 1 1 19 19 VAL C C 19 177.450 177.450 177.189 0.261 19179 5519 1 14 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.636 1.176 19179 5520 1 14 . 1 1 19 19 VAL CB C 19 31.269 31.269 30.718 0.551 19179 5521 1 14 . 1 1 20 20 TYR N N 20 116.865 116.865 118.967 -2.102 19179 5522 1 14 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.254 -0.129 19179 5523 1 14 . 1 1 20 20 TYR C C 20 179.914 179.914 178.708 1.206 19179 5524 1 14 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.010 2.320 19179 5525 1 14 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.350 -0.168 19179 5526 1 14 . 1 1 20 20 TYR H H 20 8.138 8.138 8.314 -0.176 19179 5527 1 14 . 1 1 21 21 ILE N N 21 122.973 122.973 120.620 2.353 19179 5528 1 14 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.747 -0.089 19179 5529 1 14 . 1 1 21 21 ILE C C 21 176.306 176.306 177.911 -1.605 19179 5530 1 14 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.103 2.996 19179 5531 1 14 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.136 0.750 19179 5532 1 14 . 1 1 21 21 ILE H H 21 8.112 8.112 8.306 -0.194 19179 5533 1 14 . 1 1 22 22 ALA N N 22 122.302 122.302 122.686 -0.384 19179 5534 1 14 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.156 -0.309 19179 5535 1 14 . 1 1 22 22 ALA C C 22 179.987 179.987 179.698 0.289 19179 5536 1 14 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.392 -0.207 19179 5537 1 14 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.666 0.268 19179 5538 1 14 . 1 1 22 22 ALA H H 22 7.839 7.839 8.184 -0.345 19179 5539 1 14 . 1 1 23 23 ILE N N 23 119.408 119.408 114.398 5.010 19179 5540 1 14 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.001 0.369 19179 5541 1 14 . 1 1 23 23 ILE C C 23 180.184 180.184 177.513 2.671 19179 5542 1 14 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.737 -0.032 19179 5543 1 14 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.188 0.154 19179 5544 1 14 . 1 1 23 23 ILE H H 23 8.328 8.328 8.073 0.255 19179 5545 1 14 . 1 1 24 24 GLU N N 24 125.684 125.684 121.366 4.318 19179 5546 1 14 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.071 -0.183 19179 5547 1 14 . 1 1 24 24 GLU C C 24 178.861 178.861 178.157 0.704 19179 5548 1 14 . 1 1 24 24 GLU CA C 24 52.588 52.588 58.374 -5.786 19179 5549 1 14 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.497 -0.411 19179 5550 1 14 . 1 1 24 24 GLU H H 24 8.344 8.344 8.088 0.256 19179 5551 1 14 . 1 1 25 25 ALA N N 25 117.589 117.589 120.249 -2.660 19179 5552 1 14 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.222 -0.030 19179 5553 1 14 . 1 1 25 25 ALA C C 25 177.866 177.866 177.878 -0.012 19179 5554 1 14 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.134 -0.674 19179 5555 1 14 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.277 0.054 19179 5556 1 14 . 1 1 25 25 ALA H H 25 8.228 8.228 7.761 0.467 19179 5557 1 14 . 1 1 26 26 GLY N N 26 129.923 129.923 104.898 25.025 19179 5558 1 14 . 1 1 26 26 GLY C C 26 173.535 173.535 174.690 -1.155 19179 5559 1 14 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.587 0.200 19179 5560 1 14 . 1 1 26 26 GLY H H 26 8.189 8.189 7.430 0.759 19179 5561 1 14 . 1 1 27 27 THR N N 27 119.446 119.446 116.598 2.848 19179 5562 1 14 . 1 1 27 27 THR HA H 27 4.445 4.445 4.312 0.133 19179 5563 1 14 . 1 1 27 27 THR C C 27 176.521 176.521 174.181 2.340 19179 5564 1 14 . 1 1 27 27 THR CA C 27 66.568 66.568 66.383 0.185 19179 5565 1 14 . 1 1 27 27 THR CB C 27 51.731 51.731 70.052 -18.321 19179 5566 1 14 . 1 1 27 27 THR H H 27 7.919 7.919 8.433 -0.514 19179 5567 1 14 . 1 1 28 28 LEU N N 28 119.632 119.632 116.063 3.569 19179 5568 1 14 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.543 0.470 19179 5569 1 14 . 1 1 28 28 LEU C C 28 173.798 173.798 173.793 0.005 19179 5570 1 14 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.393 -1.393 19179 5571 1 14 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.410 2.411 19179 5572 1 14 . 1 1 28 28 LEU H H 28 7.026 7.026 7.206 -0.180 19179 5573 1 14 . 1 1 29 29 ALA N N 29 121.053 121.053 120.562 0.491 19179 5574 1 14 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.626 -0.234 19179 5575 1 14 . 1 1 29 29 ALA C C 29 173.471 173.471 174.804 -1.333 19179 5576 1 14 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.205 0.478 19179 5577 1 14 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.228 1.742 19179 5578 1 14 . 1 1 29 29 ALA H H 29 8.856 8.856 8.038 0.818 19179 5579 1 14 . 1 1 30 30 GLU N N 30 119.234 119.234 118.584 0.650 19179 5580 1 14 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.402 0.397 19179 5581 1 14 . 1 1 30 30 GLU C C 30 176.292 176.292 174.803 1.489 19179 5582 1 14 . 1 1 30 30 GLU CA C 30 53.461 53.461 53.905 -0.444 19179 5583 1 14 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.691 1.444 19179 5584 1 14 . 1 1 30 30 GLU H H 30 8.244 8.244 8.033 0.211 19179 5585 1 14 . 1 1 31 31 CYS N N 31 129.774 129.774 122.395 7.379 19179 5586 1 14 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.330 -0.018 19179 5587 1 14 . 1 1 31 31 CYS C C 31 175.519 175.519 176.469 -0.950 19179 5588 1 14 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.103 1.441 19179 5589 1 14 . 1 1 31 31 CYS CB C 31 28.588 28.588 26.713 1.875 19179 5590 1 14 . 1 1 31 31 CYS H H 31 8.586 8.586 8.588 -0.002 19179 5591 1 14 . 1 1 32 32 GLU N N 32 126.867 126.867 127.853 -0.986 19179 5592 1 14 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.062 0.027 19179 5593 1 14 . 1 1 32 32 GLU C C 32 177.061 177.061 175.753 1.308 19179 5594 1 14 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.453 0.275 19179 5595 1 14 . 1 1 32 32 GLU CB C 32 30.433 30.433 28.883 1.550 19179 5596 1 14 . 1 1 32 32 GLU H H 32 8.756 8.756 9.034 -0.278 19179 5597 1 14 . 1 1 33 33 VAL N N 33 122.528 122.528 115.442 7.086 19179 5598 1 14 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.213 -0.395 19179 5599 1 14 . 1 1 33 33 VAL C C 33 176.434 176.434 175.832 0.602 19179 5600 1 14 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.606 1.526 19179 5601 1 14 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.552 1.192 19179 5602 1 14 . 1 1 33 33 VAL H H 33 8.935 8.935 7.639 1.296 19179 5603 1 14 . 1 1 34 34 HIS N N 34 126.015 126.015 120.858 5.157 19179 5604 1 14 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.708 -0.133 19179 5605 1 14 . 1 1 34 34 HIS C C 34 173.077 173.077 173.958 -0.881 19179 5606 1 14 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.907 2.728 19179 5607 1 14 . 1 1 34 34 HIS CB C 34 28.789 28.789 28.729 0.060 19179 5608 1 14 . 1 1 34 34 HIS H H 34 8.834 8.834 7.547 1.287 19179 5609 1 14 . 1 1 35 35 GLU N N 35 122.059 122.059 125.553 -3.494 19179 5610 1 14 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.096 0.001 19179 5611 1 14 . 1 1 35 35 GLU C C 35 178.839 178.839 177.342 1.497 19179 5612 1 14 . 1 1 35 35 GLU CA C 35 58.068 58.068 58.005 0.063 19179 5613 1 14 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.720 0.013 19179 5614 1 14 . 1 1 35 35 GLU H H 35 7.643 7.643 8.621 -0.978 19179 5615 1 14 . 1 1 36 36 GLY N N 36 114.969 114.969 115.297 -0.328 19179 5616 1 14 . 1 1 36 36 GLY C C 36 173.165 173.165 174.581 -1.416 19179 5617 1 14 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.063 -0.077 19179 5618 1 14 . 1 1 36 36 GLY H H 36 10.615 10.615 8.922 1.693 19179 5619 1 14 . 1 1 37 37 THR N N 37 116.476 116.476 120.352 -3.876 19179 5620 1 14 . 1 1 37 37 THR HA H 37 4.466 4.466 4.627 -0.161 19179 5621 1 14 . 1 1 37 37 THR C C 37 172.121 172.121 172.978 -0.857 19179 5622 1 14 . 1 1 37 37 THR CA C 37 62.490 62.490 63.242 -0.752 19179 5623 1 14 . 1 1 37 37 THR CB C 37 68.752 68.752 69.382 -0.630 19179 5624 1 14 . 1 1 37 37 THR H H 37 7.669 7.669 7.873 -0.204 19179 5625 1 14 . 1 1 38 38 TYR N N 38 124.951 124.951 124.587 0.364 19179 5626 1 14 . 1 1 38 38 TYR HA H 38 5.635 5.635 5.165 0.470 19179 5627 1 14 . 1 1 38 38 TYR C C 38 174.538 174.538 173.900 0.638 19179 5628 1 14 . 1 1 38 38 TYR CA C 38 56.001 56.001 56.676 -0.675 19179 5629 1 14 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.066 -0.455 19179 5630 1 14 . 1 1 38 38 TYR H H 38 8.622 8.622 8.703 -0.081 19179 5631 1 14 . 1 1 39 39 PHE N N 39 115.194 115.194 117.454 -2.260 19179 5632 1 14 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.932 0.152 19179 5633 1 14 . 1 1 39 39 PHE C C 39 173.379 173.379 172.859 0.520 19179 5634 1 14 . 1 1 39 39 PHE CA C 39 55.938 55.938 56.851 -0.913 19179 5635 1 14 . 1 1 39 39 PHE CB C 39 39.220 39.220 41.526 -2.306 19179 5636 1 14 . 1 1 39 39 PHE H H 39 8.483 8.483 8.709 -0.226 19179 5637 1 14 . 1 1 40 40 SER N N 40 114.429 114.429 119.618 -5.189 19179 5638 1 14 . 1 1 40 40 SER HA H 40 4.341 4.341 4.544 -0.203 19179 5639 1 14 . 1 1 40 40 SER C C 40 173.355 173.355 174.523 -1.168 19179 5640 1 14 . 1 1 40 40 SER CA C 40 60.726 60.726 56.540 4.186 19179 5641 1 14 . 1 1 40 40 SER CB C 40 63.544 63.544 64.907 -1.363 19179 5642 1 14 . 1 1 40 40 SER H H 40 9.519 9.519 8.370 1.149 19179 5643 1 14 . 1 1 41 41 ASP N N 41 125.551 125.551 124.083 1.468 19179 5644 1 14 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.585 0.328 19179 5645 1 14 . 1 1 41 41 ASP C C 41 176.230 176.230 176.098 0.132 19179 5646 1 14 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.503 -1.764 19179 5647 1 14 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.159 -1.434 19179 5648 1 14 . 1 1 41 41 ASP H H 41 8.431 8.431 8.676 -0.245 19179 5649 1 14 . 1 1 42 42 SER N N 42 114.674 114.674 120.959 -6.285 19179 5650 1 14 . 1 1 42 42 SER HA H 42 4.370 4.370 4.349 0.021 19179 5651 1 14 . 1 1 42 42 SER C C 42 177.229 177.229 175.822 1.407 19179 5652 1 14 . 1 1 42 42 SER CA C 42 59.770 59.770 59.872 -0.102 19179 5653 1 14 . 1 1 42 42 SER CB C 42 62.951 62.951 63.656 -0.705 19179 5654 1 14 . 1 1 42 42 SER H H 42 9.001 9.001 8.546 0.455 19179 5655 1 14 . 1 1 43 43 GLY N N 43 130.573 130.573 116.046 14.527 19179 5656 1 14 . 1 1 43 43 GLY C C 43 172.823 172.823 173.843 -1.020 19179 5657 1 14 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.891 0.938 19179 5658 1 14 . 1 1 43 43 GLY H H 43 8.261 8.261 8.793 -0.532 19179 5659 1 14 . 1 1 44 44 ASP N N 44 120.029 120.029 121.516 -1.487 19179 5660 1 14 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.921 -0.180 19179 5661 1 14 . 1 1 44 44 ASP C C 44 176.327 176.327 175.868 0.459 19179 5662 1 14 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.556 -0.247 19179 5663 1 14 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.645 -1.579 19179 5664 1 14 . 1 1 44 44 ASP H H 44 8.583 8.583 7.840 0.743 19179 5665 1 14 . 1 1 45 45 ILE N N 45 129.584 129.584 122.463 7.121 19179 5666 1 14 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.907 -0.216 19179 5667 1 14 . 1 1 45 45 ILE C C 45 177.352 177.352 177.509 -0.157 19179 5668 1 14 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.012 1.955 19179 5669 1 14 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.311 -0.498 19179 5670 1 14 . 1 1 45 45 ILE H H 45 8.589 8.589 8.378 0.211 19179 5671 1 14 . 1 1 46 46 SER N N 46 117.808 117.808 116.321 1.487 19179 5672 1 14 . 1 1 46 46 SER HA H 46 4.338 4.338 4.171 0.167 19179 5673 1 14 . 1 1 46 46 SER C C 46 177.116 177.116 176.258 0.858 19179 5674 1 14 . 1 1 46 46 SER CA C 46 61.744 61.744 61.303 0.441 19179 5675 1 14 . 1 1 46 46 SER CB C 46 62.502 62.502 62.782 -0.280 19179 5676 1 14 . 1 1 46 46 SER H H 46 8.275 8.275 8.212 0.063 19179 5677 1 14 . 1 1 47 47 GLU N N 47 121.839 121.839 121.583 0.256 19179 5678 1 14 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.026 0.016 19179 5679 1 14 . 1 1 47 47 GLU C C 47 178.981 178.981 178.355 0.626 19179 5680 1 14 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.359 0.059 19179 5681 1 14 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.576 -0.318 19179 5682 1 14 . 1 1 47 47 GLU H H 47 7.372 7.372 8.100 -0.728 19179 5683 1 14 . 1 1 48 48 ALA N N 48 122.935 122.935 121.262 1.673 19179 5684 1 14 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.084 -0.223 19179 5685 1 14 . 1 1 48 48 ALA C C 48 178.641 178.641 179.913 -1.272 19179 5686 1 14 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.350 -0.025 19179 5687 1 14 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.186 -0.794 19179 5688 1 14 . 1 1 48 48 ALA H H 48 6.925 6.925 7.554 -0.629 19179 5689 1 14 . 1 1 49 49 GLU N N 49 118.249 118.249 119.472 -1.223 19179 5690 1 14 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.010 -0.397 19179 5691 1 14 . 1 1 49 49 GLU C C 49 177.879 177.879 179.412 -1.533 19179 5692 1 14 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.160 1.161 19179 5693 1 14 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.900 -0.032 19179 5694 1 14 . 1 1 49 49 GLU H H 49 8.288 8.288 7.667 0.621 19179 5695 1 14 . 1 1 50 50 GLU N N 50 117.450 117.450 120.401 -2.951 19179 5696 1 14 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.060 -0.138 19179 5697 1 14 . 1 1 50 50 GLU C C 50 179.532 179.532 179.225 0.307 19179 5698 1 14 . 1 1 50 50 GLU CA C 50 59.753 59.753 58.935 0.818 19179 5699 1 14 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.730 -0.702 19179 5700 1 14 . 1 1 50 50 GLU H H 50 8.108 8.108 7.957 0.151 19179 5701 1 14 . 1 1 51 51 LEU N N 51 120.169 120.169 121.160 -0.991 19179 5702 1 14 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.073 0.234 19179 5703 1 14 . 1 1 51 51 LEU C C 51 178.285 178.285 178.194 0.091 19179 5704 1 14 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.001 -0.563 19179 5705 1 14 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.935 -1.169 19179 5706 1 14 . 1 1 51 51 LEU H H 51 7.835 7.835 8.515 -0.680 19179 5707 1 14 . 1 1 52 52 ALA N N 52 121.167 121.167 120.797 0.370 19179 5708 1 14 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.140 -0.345 19179 5709 1 14 . 1 1 52 52 ALA C C 52 178.611 178.611 179.768 -1.157 19179 5710 1 14 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.755 0.892 19179 5711 1 14 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.394 -0.218 19179 5712 1 14 . 1 1 52 52 ALA H H 52 8.286 8.286 8.516 -0.230 19179 5713 1 14 . 1 1 53 53 ARG N N 53 115.092 115.092 119.777 -4.685 19179 5714 1 14 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.009 -0.282 19179 5715 1 14 . 1 1 53 53 ARG C C 53 179.136 179.136 178.475 0.661 19179 5716 1 14 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.219 1.389 19179 5717 1 14 . 1 1 53 53 ARG CB C 53 29.520 29.520 30.078 -0.558 19179 5718 1 14 . 1 1 53 53 ARG H H 53 7.957 7.957 8.252 -0.295 19179 5719 1 14 . 1 1 54 54 GLU N N 54 122.263 122.263 119.617 2.646 19179 5720 1 14 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.194 -0.130 19179 5721 1 14 . 1 1 54 54 GLU C C 54 179.159 179.159 178.676 0.483 19179 5722 1 14 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.289 0.129 19179 5723 1 14 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.273 0.615 19179 5724 1 14 . 1 1 54 54 GLU H H 54 8.089 8.089 8.512 -0.423 19179 5725 1 14 . 1 1 55 55 LYS N N 55 118.511 118.511 119.436 -0.925 19179 5726 1 14 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.053 -0.243 19179 5727 1 14 . 1 1 55 55 LYS C C 55 179.078 179.078 178.223 0.855 19179 5728 1 14 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.439 0.371 19179 5729 1 14 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.451 0.292 19179 5730 1 14 . 1 1 55 55 LYS H H 55 9.118 9.118 8.276 0.842 19179 5731 1 14 . 1 1 56 56 PHE N N 56 119.918 119.918 117.675 2.243 19179 5732 1 14 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.352 -0.490 19179 5733 1 14 . 1 1 56 56 PHE H H 56 8.456 8.456 8.456 -0.000 19179 5734 1 14 . 1 1 57 57 GLU N N 57 121.819 121.819 121.203 0.616 19179 5735 1 14 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.249 -0.121 19179 5736 1 14 . 1 1 57 57 GLU C C 57 177.889 177.889 178.712 -0.823 19179 5737 1 14 . 1 1 57 57 GLU CA C 57 59.238 59.238 59.424 -0.186 19179 5738 1 14 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.360 0.123 19179 5739 1 14 . 1 1 57 57 GLU H H 57 8.153 8.153 8.227 -0.074 19179 5740 1 14 . 1 1 58 58 LYS N N 58 115.784 115.784 116.850 -1.066 19179 5741 1 14 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.285 -0.018 19179 5742 1 14 . 1 1 58 58 LYS C C 58 176.710 176.710 176.457 0.253 19179 5743 1 14 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.650 1.092 19179 5744 1 14 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.340 0.687 19179 5745 1 14 . 1 1 58 58 LYS H H 58 7.684 7.684 8.032 -0.348 19179 5746 1 14 . 1 1 59 59 GLY N N 59 130.075 130.075 109.384 20.691 19179 5747 1 14 . 1 1 59 59 GLY C C 59 175.969 175.969 173.322 2.647 19179 5748 1 14 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.109 1.221 19179 5749 1 14 . 1 1 59 59 GLY H H 59 7.644 7.644 7.836 -0.192 19179 5750 1 14 . 1 1 60 60 GLU N N 60 117.714 117.714 122.775 -5.061 19179 5751 1 14 . 1 1 60 60 GLU HA H 60 4.339 4.339 2.658 1.681 19179 5752 1 14 . 1 1 60 60 GLU C C 60 175.359 175.359 175.529 -0.170 19179 5753 1 14 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.861 -0.328 19179 5754 1 14 . 1 1 60 60 GLU CB C 60 30.356 30.356 29.828 0.528 19179 5755 1 14 . 1 1 60 60 GLU H H 60 8.008 8.008 8.103 -0.095 19179 5756 1 14 . 1 1 61 61 VAL N N 61 120.144 120.144 114.494 5.650 19179 5757 1 14 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.044 0.478 19179 5758 1 14 . 1 1 61 61 VAL C C 61 176.175 176.175 175.330 0.845 19179 5759 1 14 . 1 1 61 61 VAL CA C 61 61.267 61.267 63.145 -1.878 19179 5760 1 14 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.126 1.560 19179 5761 1 14 . 1 1 61 61 VAL H H 61 7.745 7.745 7.768 -0.023 19179 5762 1 14 . 1 1 62 62 SER N N 62 126.283 126.283 115.912 10.371 19179 5763 1 14 . 1 1 62 62 SER HA H 62 4.644 4.644 4.356 0.288 19179 5764 1 14 . 1 1 62 62 SER C C 62 176.781 176.781 173.867 2.914 19179 5765 1 14 . 1 1 62 62 SER CA C 62 60.796 60.796 59.268 1.528 19179 5766 1 14 . 1 1 62 62 SER CB C 62 65.061 65.061 61.740 3.321 19179 5767 1 14 . 1 1 62 62 SER H H 62 11.396 11.396 8.711 2.685 19179 5768 1 14 . 1 1 63 63 ASN N N 63 118.526 118.526 117.690 0.836 19179 5769 1 14 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.709 0.023 19179 5770 1 14 . 1 1 63 63 ASN C C 63 172.632 172.632 176.037 -3.405 19179 5771 1 14 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.530 1.056 19179 5772 1 14 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.674 1.098 19179 5773 1 14 . 1 1 63 63 ASN H H 63 10.333 10.333 8.139 2.194 19179 5774 1 14 . 1 1 64 64 PHE N N 64 112.992 112.992 119.860 -6.868 19179 5775 1 14 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.706 0.160 19179 5776 1 14 . 1 1 64 64 PHE C C 64 174.310 174.310 175.960 -1.650 19179 5777 1 14 . 1 1 64 64 PHE CA C 64 56.626 56.626 60.018 -3.392 19179 5778 1 14 . 1 1 64 64 PHE CB C 64 42.883 42.883 39.576 3.307 19179 5779 1 14 . 1 1 64 64 PHE H H 64 6.971 6.971 8.321 -1.350 19179 5780 1 14 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.549 0.339 19179 5781 1 14 . 1 1 65 65 ASP C C 65 175.049 175.049 174.795 0.254 19179 5782 1 14 . 1 1 65 65 ASP CA C 65 53.647 53.647 55.266 -1.619 19179 5783 1 14 . 1 1 65 65 ASP CB C 65 41.367 41.367 39.904 1.463 19179 5784 1 14 . 1 1 66 66 ASP N N 66 119.568 119.568 118.993 0.575 19179 5785 1 14 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.770 0.091 19179 5786 1 14 . 1 1 66 66 ASP C C 66 175.858 175.858 175.618 0.240 19179 5787 1 14 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.632 -0.969 19179 5788 1 14 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.955 2.306 19179 5789 1 14 . 1 1 66 66 ASP H H 66 7.413 7.413 7.923 -0.510 19179 5790 1 14 . 1 1 67 67 VAL N N 67 127.826 127.826 126.764 1.062 19179 5791 1 14 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.328 -0.346 19179 5792 1 14 . 1 1 67 67 VAL C C 67 175.173 175.173 176.598 -1.425 19179 5793 1 14 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.743 -1.532 19179 5794 1 14 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.267 -1.419 19179 5795 1 14 . 1 1 67 67 VAL H H 67 8.298 8.298 8.395 -0.097 19179 5796 1 14 . 1 1 68 68 GLU N N 68 120.580 120.580 119.106 1.474 19179 5797 1 14 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.784 0.265 19179 5798 1 14 . 1 1 68 68 GLU C C 68 180.052 180.052 178.532 1.520 19179 5799 1 14 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.081 -2.223 19179 5800 1 14 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.287 -1.883 19179 5801 1 14 . 1 1 68 68 GLU H H 68 7.909 7.909 8.414 -0.505 19179 5802 1 14 . 1 1 69 69 GLU N N 69 121.347 121.347 119.712 1.635 19179 5803 1 14 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.003 -0.071 19179 5804 1 14 . 1 1 69 69 GLU C C 69 179.095 179.095 178.868 0.227 19179 5805 1 14 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.563 0.424 19179 5806 1 14 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.285 0.235 19179 5807 1 14 . 1 1 69 69 GLU H H 69 7.669 7.669 8.124 -0.455 19179 5808 1 14 . 1 1 70 70 LEU N N 70 120.330 120.330 120.468 -0.138 19179 5809 1 14 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.579 -0.634 19179 5810 1 14 . 1 1 70 70 LEU C C 70 177.014 177.014 178.770 -1.756 19179 5811 1 14 . 1 1 70 70 LEU CA C 70 57.479 57.479 57.959 -0.480 19179 5812 1 14 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.065 -0.820 19179 5813 1 14 . 1 1 70 70 LEU H H 70 7.184 7.184 8.006 -0.822 19179 5814 1 14 . 1 1 71 71 VAL N N 71 118.625 118.625 115.691 2.934 19179 5815 1 14 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.533 -0.463 19179 5816 1 14 . 1 1 71 71 VAL C C 71 177.049 177.049 177.901 -0.852 19179 5817 1 14 . 1 1 71 71 VAL CA C 71 67.888 67.888 65.841 2.047 19179 5818 1 14 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.697 0.698 19179 5819 1 14 . 1 1 71 71 VAL H H 71 8.262 8.262 8.377 -0.115 19179 5820 1 14 . 1 1 72 72 LYS N N 72 116.770 116.770 120.158 -3.388 19179 5821 1 14 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.922 -0.085 19179 5822 1 14 . 1 1 72 72 LYS C C 72 179.439 179.439 178.927 0.512 19179 5823 1 14 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.095 0.859 19179 5824 1 14 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.854 0.765 19179 5825 1 14 . 1 1 72 72 LYS H H 72 7.791 7.791 8.017 -0.226 19179 5826 1 14 . 1 1 73 73 LYS N N 73 121.221 121.221 119.542 1.679 19179 5827 1 14 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.073 0.143 19179 5828 1 14 . 1 1 73 73 LYS C C 73 177.539 177.539 178.991 -1.452 19179 5829 1 14 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.072 -1.748 19179 5830 1 14 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.193 -0.287 19179 5831 1 14 . 1 1 73 73 LYS H H 73 7.796 7.796 7.609 0.187 19179 5832 1 14 . 1 1 74 74 VAL N N 74 119.691 119.691 121.081 -1.390 19179 5833 1 14 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.677 -0.262 19179 5834 1 14 . 1 1 74 74 VAL C C 74 177.638 177.638 177.960 -0.322 19179 5835 1 14 . 1 1 74 74 VAL CA C 74 66.863 66.863 66.898 -0.035 19179 5836 1 14 . 1 1 74 74 VAL H H 74 8.445 8.445 7.891 0.554 19179 5837 1 14 . 1 1 75 75 VAL N N 75 120.095 120.095 120.104 -0.009 19179 5838 1 14 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.758 -0.406 19179 5839 1 14 . 1 1 75 75 VAL C C 75 177.621 177.621 176.861 0.760 19179 5840 1 14 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.216 2.542 19179 5841 1 14 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.573 -2.417 19179 5842 1 14 . 1 1 75 75 VAL H H 75 8.521 8.521 8.369 0.152 19179 5843 1 14 . 1 1 76 76 ALA N N 76 120.276 120.276 122.637 -2.361 19179 5844 1 14 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.978 0.213 19179 5845 1 14 . 1 1 76 76 ALA C C 76 181.968 181.968 179.407 2.561 19179 5846 1 14 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.495 -0.014 19179 5847 1 14 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.222 0.173 19179 5848 1 14 . 1 1 76 76 ALA H H 76 7.839 7.839 7.981 -0.142 19179 5849 1 14 . 1 1 77 77 VAL N N 77 114.746 114.746 118.551 -3.805 19179 5850 1 14 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.777 0.241 19179 5851 1 14 . 1 1 77 77 VAL C C 77 178.133 178.133 177.842 0.291 19179 5852 1 14 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.057 0.473 19179 5853 1 14 . 1 1 77 77 VAL CB C 77 30.943 30.943 30.717 0.226 19179 5854 1 14 . 1 1 77 77 VAL H H 77 8.662 8.662 8.373 0.289 19179 5855 1 14 . 1 1 78 78 CYS N N 78 119.096 119.096 119.347 -0.251 19179 5856 1 14 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.941 0.050 19179 5857 1 14 . 1 1 78 78 CYS C C 78 177.621 177.621 176.811 0.810 19179 5858 1 14 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.425 1.351 19179 5859 1 14 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.018 0.322 19179 5860 1 14 . 1 1 78 78 CYS H H 78 7.740 7.740 8.456 -0.716 19179 5861 1 14 . 1 1 79 79 GLU N N 79 118.797 118.797 118.209 0.588 19179 5862 1 14 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.139 -0.103 19179 5863 1 14 . 1 1 79 79 GLU C C 79 179.135 179.135 179.582 -0.447 19179 5864 1 14 . 1 1 79 79 GLU CA C 79 58.900 58.900 59.319 -0.419 19179 5865 1 14 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.185 0.525 19179 5866 1 14 . 1 1 79 79 GLU H H 79 8.106 8.106 8.430 -0.324 19179 5867 1 14 . 1 1 80 80 GLU N N 80 119.483 119.483 119.542 -0.059 19179 5868 1 14 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.196 -0.575 19179 5869 1 14 . 1 1 80 80 GLU C C 80 177.433 177.433 178.089 -0.656 19179 5870 1 14 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.076 0.635 19179 5871 1 14 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.515 1.143 19179 5872 1 14 . 1 1 80 80 GLU H H 80 8.167 8.167 8.155 0.012 19179 5873 1 14 . 1 1 81 81 LEU N N 81 117.475 117.475 119.403 -1.928 19179 5874 1 14 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.262 0.390 19179 5875 1 14 . 1 1 81 81 LEU C C 81 177.355 177.355 176.409 0.946 19179 5876 1 14 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.118 0.291 19179 5877 1 14 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.095 -0.642 19179 5878 1 14 . 1 1 81 81 LEU H H 81 8.145 8.145 7.800 0.345 19179 5879 1 14 . 1 1 82 82 GLY N N 82 127.998 127.998 107.376 20.622 19179 5880 1 14 . 1 1 82 82 GLY C C 82 175.024 175.024 174.292 0.732 19179 5881 1 14 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.845 1.794 19179 5882 1 14 . 1 1 82 82 GLY H H 82 7.218 7.218 7.338 -0.120 19179 5883 1 14 . 1 1 83 83 ALA N N 83 126.068 126.068 122.205 3.863 19179 5884 1 14 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.514 -0.013 19179 5885 1 14 . 1 1 83 83 ALA C C 83 177.567 177.567 177.087 0.480 19179 5886 1 14 . 1 1 83 83 ALA CA C 83 52.104 52.104 52.050 0.054 19179 5887 1 14 . 1 1 83 83 ALA CB C 83 20.574 20.574 18.922 1.651 19179 5888 1 14 . 1 1 83 83 ALA H H 83 8.202 8.202 7.334 0.868 19179 5889 1 14 . 1 1 84 84 GLU N N 84 118.661 118.661 125.325 -6.664 19179 5890 1 14 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.635 -0.383 19179 5891 1 14 . 1 1 84 84 GLU C C 84 175.915 175.915 176.851 -0.936 19179 5892 1 14 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.165 2.506 19179 5893 1 14 . 1 1 84 84 GLU CB C 84 30.666 30.666 32.627 -1.961 19179 5894 1 14 . 1 1 84 84 GLU H H 84 9.004 9.004 8.594 0.410 19179 5895 1 14 . 1 1 85 85 GLU N N 85 111.162 111.162 117.081 -5.919 19179 5896 1 14 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.493 -0.612 19179 5897 1 14 . 1 1 85 85 GLU C C 85 173.815 173.815 174.536 -0.721 19179 5898 1 14 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.212 -2.555 19179 5899 1 14 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.194 0.170 19179 5900 1 14 . 1 1 85 85 GLU H H 85 7.318 7.318 8.206 -0.888 19179 5901 1 14 . 1 1 86 86 CYS N N 86 122.106 122.106 123.077 -0.971 19179 5902 1 14 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.605 -0.527 19179 5903 1 14 . 1 1 86 86 CYS C C 86 177.088 177.088 176.541 0.547 19179 5904 1 14 . 1 1 86 86 CYS CA C 86 59.470 59.470 58.036 1.434 19179 5905 1 14 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.410 5.031 19179 5906 1 14 . 1 1 86 86 CYS H H 86 8.035 8.035 8.781 -0.746 19179 5907 1 14 . 1 1 87 87 PHE N N 87 129.406 129.406 127.040 2.366 19179 5908 1 14 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.172 0.320 19179 5909 1 14 . 1 1 87 87 PHE C C 87 176.921 176.921 176.993 -0.072 19179 5910 1 14 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.402 -0.805 19179 5911 1 14 . 1 1 87 87 PHE CB C 87 38.939 38.939 37.703 1.236 19179 5912 1 14 . 1 1 87 87 PHE H H 87 8.292 8.292 8.339 -0.047 19179 5913 1 14 . 1 1 88 88 SER N N 88 118.356 118.356 116.459 1.897 19179 5914 1 14 . 1 1 88 88 SER HA H 88 4.131 4.131 4.094 0.037 19179 5915 1 14 . 1 1 88 88 SER C C 88 174.940 174.940 176.934 -1.994 19179 5916 1 14 . 1 1 88 88 SER CA C 88 60.832 60.832 61.616 -0.784 19179 5917 1 14 . 1 1 88 88 SER CB C 88 62.143 62.143 62.267 -0.124 19179 5918 1 14 . 1 1 88 88 SER H H 88 8.436 8.436 6.808 1.628 19179 5919 1 14 . 1 1 89 89 CYS N N 89 125.476 125.476 117.866 7.610 19179 5920 1 14 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.272 -0.159 19179 5921 1 14 . 1 1 89 89 CYS C C 89 174.660 174.660 175.728 -1.068 19179 5922 1 14 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.198 2.565 19179 5923 1 14 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.293 4.142 19179 5924 1 14 . 1 1 89 89 CYS H H 89 7.699 7.699 7.799 -0.100 19179 5925 1 14 . 1 1 90 90 ASP N N 90 119.756 119.756 117.392 2.364 19179 5926 1 14 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.725 -0.208 19179 5927 1 14 . 1 1 90 90 ASP C C 90 175.429 175.429 175.724 -0.295 19179 5928 1 14 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.597 -0.555 19179 5929 1 14 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.543 0.464 19179 5930 1 14 . 1 1 90 90 ASP H H 90 7.569 7.569 8.159 -0.590 19179 5931 1 14 . 1 1 91 91 PHE N N 91 120.531 120.531 121.321 -0.790 19179 5932 1 14 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.496 0.133 19179 5933 1 14 . 1 1 91 91 PHE C C 91 174.893 174.893 174.564 0.329 19179 5934 1 14 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.416 -0.156 19179 5935 1 14 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.634 -1.089 19179 5936 1 14 . 1 1 91 91 PHE H H 91 7.910 7.910 7.808 0.102 19179 5937 1 15 . 1 1 17 17 GLU C C 17 178.498 178.498 176.378 2.120 19179 5938 1 15 . 1 1 18 18 ALA N N 18 117.689 117.689 125.872 -8.183 19179 5939 1 15 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.787 -0.413 19179 5940 1 15 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.698 -0.274 19179 5941 1 15 . 1 1 18 18 ALA H H 18 8.085 8.085 9.056 -0.971 19179 5942 1 15 . 1 1 19 19 VAL C C 19 177.450 177.450 177.434 0.016 19179 5943 1 15 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.465 0.347 19179 5944 1 15 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.978 -0.709 19179 5945 1 15 . 1 1 20 20 TYR N N 20 116.865 116.865 116.975 -0.110 19179 5946 1 15 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.254 -0.129 19179 5947 1 15 . 1 1 20 20 TYR C C 20 179.914 179.914 177.884 2.030 19179 5948 1 15 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.869 2.461 19179 5949 1 15 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.524 -0.342 19179 5950 1 15 . 1 1 20 20 TYR H H 20 8.138 8.138 8.129 0.009 19179 5951 1 15 . 1 1 21 21 ILE N N 21 122.973 122.973 121.465 1.508 19179 5952 1 15 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.797 -0.139 19179 5953 1 15 . 1 1 21 21 ILE C C 21 176.306 176.306 178.000 -1.694 19179 5954 1 15 . 1 1 21 21 ILE CA C 21 66.099 66.099 62.878 3.221 19179 5955 1 15 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.220 0.666 19179 5956 1 15 . 1 1 21 21 ILE H H 21 8.112 8.112 8.258 -0.146 19179 5957 1 15 . 1 1 22 22 ALA N N 22 122.302 122.302 122.261 0.041 19179 5958 1 15 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.117 -0.270 19179 5959 1 15 . 1 1 22 22 ALA C C 22 179.987 179.987 179.973 0.014 19179 5960 1 15 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.155 0.029 19179 5961 1 15 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.525 0.409 19179 5962 1 15 . 1 1 22 22 ALA H H 22 7.839 7.839 8.023 -0.184 19179 5963 1 15 . 1 1 23 23 ILE N N 23 119.408 119.408 115.412 3.996 19179 5964 1 15 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.917 0.453 19179 5965 1 15 . 1 1 23 23 ILE C C 23 180.184 180.184 177.208 2.976 19179 5966 1 15 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.267 -0.562 19179 5967 1 15 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.291 0.051 19179 5968 1 15 . 1 1 23 23 ILE H H 23 8.328 8.328 7.941 0.387 19179 5969 1 15 . 1 1 24 24 GLU N N 24 125.684 125.684 121.650 4.034 19179 5970 1 15 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.051 -0.163 19179 5971 1 15 . 1 1 24 24 GLU C C 24 178.861 178.861 178.236 0.625 19179 5972 1 15 . 1 1 24 24 GLU CA C 24 52.588 52.588 58.247 -5.659 19179 5973 1 15 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.532 -0.446 19179 5974 1 15 . 1 1 24 24 GLU H H 24 8.344 8.344 8.311 0.033 19179 5975 1 15 . 1 1 25 25 ALA N N 25 117.589 117.589 120.277 -2.688 19179 5976 1 15 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.178 0.014 19179 5977 1 15 . 1 1 25 25 ALA C C 25 177.866 177.866 177.734 0.132 19179 5978 1 15 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.014 -0.554 19179 5979 1 15 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.157 0.174 19179 5980 1 15 . 1 1 25 25 ALA H H 25 8.228 8.228 7.958 0.270 19179 5981 1 15 . 1 1 26 26 GLY N N 26 129.923 129.923 104.365 25.558 19179 5982 1 15 . 1 1 26 26 GLY C C 26 173.535 173.535 174.899 -1.364 19179 5983 1 15 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.914 -0.127 19179 5984 1 15 . 1 1 26 26 GLY H H 26 8.189 8.189 7.490 0.699 19179 5985 1 15 . 1 1 27 27 THR N N 27 119.446 119.446 116.308 3.138 19179 5986 1 15 . 1 1 27 27 THR HA H 27 4.445 4.445 4.562 -0.117 19179 5987 1 15 . 1 1 27 27 THR C C 27 176.521 176.521 173.901 2.620 19179 5988 1 15 . 1 1 27 27 THR CA C 27 66.568 66.568 63.729 2.839 19179 5989 1 15 . 1 1 27 27 THR CB C 27 51.731 51.731 69.982 -18.251 19179 5990 1 15 . 1 1 27 27 THR H H 27 7.919 7.919 8.542 -0.623 19179 5991 1 15 . 1 1 28 28 LEU N N 28 119.632 119.632 116.816 2.816 19179 5992 1 15 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.619 0.394 19179 5993 1 15 . 1 1 28 28 LEU C C 28 173.798 173.798 174.337 -0.539 19179 5994 1 15 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.395 -1.395 19179 5995 1 15 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.625 2.196 19179 5996 1 15 . 1 1 28 28 LEU H H 28 7.026 7.026 7.265 -0.239 19179 5997 1 15 . 1 1 29 29 ALA N N 29 121.053 121.053 119.981 1.072 19179 5998 1 15 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.549 -0.157 19179 5999 1 15 . 1 1 29 29 ALA C C 29 173.471 173.471 173.681 -0.210 19179 6000 1 15 . 1 1 29 29 ALA CA C 29 50.683 50.683 49.940 0.743 19179 6001 1 15 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.789 1.181 19179 6002 1 15 . 1 1 29 29 ALA H H 29 8.856 8.856 8.074 0.782 19179 6003 1 15 . 1 1 30 30 GLU N N 30 119.234 119.234 117.093 2.141 19179 6004 1 15 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.338 0.461 19179 6005 1 15 . 1 1 30 30 GLU C C 30 176.292 176.292 174.849 1.443 19179 6006 1 15 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.723 -1.262 19179 6007 1 15 . 1 1 30 30 GLU CB C 30 33.135 33.135 30.485 2.651 19179 6008 1 15 . 1 1 30 30 GLU H H 30 8.244 8.244 8.052 0.192 19179 6009 1 15 . 1 1 31 31 CYS N N 31 129.774 129.774 122.943 6.831 19179 6010 1 15 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.476 -0.164 19179 6011 1 15 . 1 1 31 31 CYS C C 31 175.519 175.519 177.019 -1.500 19179 6012 1 15 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.441 1.103 19179 6013 1 15 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.504 1.084 19179 6014 1 15 . 1 1 31 31 CYS H H 31 8.586 8.586 8.887 -0.301 19179 6015 1 15 . 1 1 32 32 GLU N N 32 126.867 126.867 126.573 0.294 19179 6016 1 15 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.370 -0.281 19179 6017 1 15 . 1 1 32 32 GLU C C 32 177.061 177.061 176.335 0.726 19179 6018 1 15 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.779 -0.051 19179 6019 1 15 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.514 0.919 19179 6020 1 15 . 1 1 32 32 GLU H H 32 8.756 8.756 8.917 -0.161 19179 6021 1 15 . 1 1 33 33 VAL N N 33 122.528 122.528 114.721 7.807 19179 6022 1 15 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.169 -0.351 19179 6023 1 15 . 1 1 33 33 VAL C C 33 176.434 176.434 174.307 2.127 19179 6024 1 15 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.923 2.209 19179 6025 1 15 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.400 1.344 19179 6026 1 15 . 1 1 33 33 VAL H H 33 8.935 8.935 7.922 1.013 19179 6027 1 15 . 1 1 34 34 HIS N N 34 126.015 126.015 120.518 5.497 19179 6028 1 15 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.881 -0.306 19179 6029 1 15 . 1 1 34 34 HIS C C 34 173.077 173.077 174.213 -1.136 19179 6030 1 15 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.642 2.993 19179 6031 1 15 . 1 1 34 34 HIS CB C 34 28.789 28.789 28.912 -0.123 19179 6032 1 15 . 1 1 34 34 HIS H H 34 8.834 8.834 7.749 1.085 19179 6033 1 15 . 1 1 35 35 GLU N N 35 122.059 122.059 126.000 -3.941 19179 6034 1 15 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.284 -0.187 19179 6035 1 15 . 1 1 35 35 GLU C C 35 178.839 178.839 177.474 1.365 19179 6036 1 15 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.523 0.545 19179 6037 1 15 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.901 -0.168 19179 6038 1 15 . 1 1 35 35 GLU H H 35 7.643 7.643 8.896 -1.253 19179 6039 1 15 . 1 1 36 36 GLY N N 36 114.969 114.969 113.472 1.497 19179 6040 1 15 . 1 1 36 36 GLY C C 36 173.165 173.165 174.373 -1.208 19179 6041 1 15 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.976 0.010 19179 6042 1 15 . 1 1 36 36 GLY H H 36 10.615 10.615 8.869 1.746 19179 6043 1 15 . 1 1 37 37 THR N N 37 116.476 116.476 118.861 -2.385 19179 6044 1 15 . 1 1 37 37 THR HA H 37 4.466 4.466 4.539 -0.073 19179 6045 1 15 . 1 1 37 37 THR C C 37 172.121 172.121 173.218 -1.097 19179 6046 1 15 . 1 1 37 37 THR CA C 37 62.490 62.490 63.103 -0.613 19179 6047 1 15 . 1 1 37 37 THR CB C 37 68.752 68.752 69.907 -1.155 19179 6048 1 15 . 1 1 37 37 THR H H 37 7.669 7.669 7.723 -0.054 19179 6049 1 15 . 1 1 38 38 TYR N N 38 124.951 124.951 124.064 0.887 19179 6050 1 15 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.696 0.939 19179 6051 1 15 . 1 1 38 38 TYR C C 38 174.538 174.538 173.936 0.602 19179 6052 1 15 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.600 -1.599 19179 6053 1 15 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.471 -0.860 19179 6054 1 15 . 1 1 38 38 TYR H H 38 8.622 8.622 8.698 -0.076 19179 6055 1 15 . 1 1 39 39 PHE N N 39 115.194 115.194 114.777 0.417 19179 6056 1 15 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.003 0.081 19179 6057 1 15 . 1 1 39 39 PHE C C 39 173.379 173.379 172.767 0.612 19179 6058 1 15 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.957 -2.019 19179 6059 1 15 . 1 1 39 39 PHE CB C 39 39.220 39.220 39.782 -0.562 19179 6060 1 15 . 1 1 39 39 PHE H H 39 8.483 8.483 8.943 -0.460 19179 6061 1 15 . 1 1 40 40 SER N N 40 114.429 114.429 120.317 -5.888 19179 6062 1 15 . 1 1 40 40 SER HA H 40 4.341 4.341 4.540 -0.199 19179 6063 1 15 . 1 1 40 40 SER C C 40 173.355 173.355 174.131 -0.776 19179 6064 1 15 . 1 1 40 40 SER CA C 40 60.726 60.726 57.535 3.191 19179 6065 1 15 . 1 1 40 40 SER CB C 40 63.544 63.544 64.386 -0.842 19179 6066 1 15 . 1 1 40 40 SER H H 40 9.519 9.519 8.764 0.755 19179 6067 1 15 . 1 1 41 41 ASP N N 41 125.551 125.551 124.676 0.875 19179 6068 1 15 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.530 0.383 19179 6069 1 15 . 1 1 41 41 ASP C C 41 176.230 176.230 176.235 -0.005 19179 6070 1 15 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.246 -1.507 19179 6071 1 15 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.862 -1.137 19179 6072 1 15 . 1 1 41 41 ASP H H 41 8.431 8.431 8.113 0.318 19179 6073 1 15 . 1 1 42 42 SER N N 42 114.674 114.674 119.981 -5.307 19179 6074 1 15 . 1 1 42 42 SER HA H 42 4.370 4.370 4.477 -0.107 19179 6075 1 15 . 1 1 42 42 SER C C 42 177.229 177.229 175.599 1.630 19179 6076 1 15 . 1 1 42 42 SER CA C 42 59.770 59.770 59.311 0.459 19179 6077 1 15 . 1 1 42 42 SER CB C 42 62.951 62.951 63.758 -0.807 19179 6078 1 15 . 1 1 42 42 SER H H 42 9.001 9.001 8.054 0.947 19179 6079 1 15 . 1 1 43 43 GLY N N 43 130.573 130.573 113.532 17.041 19179 6080 1 15 . 1 1 43 43 GLY C C 43 172.823 172.823 173.696 -0.873 19179 6081 1 15 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.900 0.929 19179 6082 1 15 . 1 1 43 43 GLY H H 43 8.261 8.261 8.892 -0.631 19179 6083 1 15 . 1 1 44 44 ASP N N 44 120.029 120.029 121.042 -1.013 19179 6084 1 15 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.947 -0.206 19179 6085 1 15 . 1 1 44 44 ASP C C 44 176.327 176.327 175.921 0.406 19179 6086 1 15 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.541 -0.232 19179 6087 1 15 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.179 -1.112 19179 6088 1 15 . 1 1 44 44 ASP H H 44 8.583 8.583 7.824 0.759 19179 6089 1 15 . 1 1 45 45 ILE N N 45 129.584 129.584 119.197 10.387 19179 6090 1 15 . 1 1 45 45 ILE HA H 45 3.691 3.691 4.041 -0.350 19179 6091 1 15 . 1 1 45 45 ILE C C 45 177.352 177.352 177.106 0.246 19179 6092 1 15 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.175 1.792 19179 6093 1 15 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.613 -0.800 19179 6094 1 15 . 1 1 45 45 ILE H H 45 8.589 8.589 7.935 0.654 19179 6095 1 15 . 1 1 46 46 SER N N 46 117.808 117.808 116.658 1.150 19179 6096 1 15 . 1 1 46 46 SER HA H 46 4.338 4.338 4.142 0.196 19179 6097 1 15 . 1 1 46 46 SER C C 46 177.116 177.116 176.460 0.656 19179 6098 1 15 . 1 1 46 46 SER CA C 46 61.744 61.744 60.825 0.919 19179 6099 1 15 . 1 1 46 46 SER CB C 46 62.502 62.502 62.555 -0.053 19179 6100 1 15 . 1 1 46 46 SER H H 46 8.275 8.275 8.011 0.265 19179 6101 1 15 . 1 1 47 47 GLU N N 47 121.839 121.839 122.575 -0.736 19179 6102 1 15 . 1 1 47 47 GLU HA H 47 4.042 4.042 3.987 0.055 19179 6103 1 15 . 1 1 47 47 GLU C C 47 178.981 178.981 178.277 0.704 19179 6104 1 15 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.181 0.237 19179 6105 1 15 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.644 -0.386 19179 6106 1 15 . 1 1 47 47 GLU H H 47 7.372 7.372 8.513 -1.141 19179 6107 1 15 . 1 1 48 48 ALA N N 48 122.935 122.935 121.625 1.310 19179 6108 1 15 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.181 -0.320 19179 6109 1 15 . 1 1 48 48 ALA C C 48 178.641 178.641 179.396 -0.755 19179 6110 1 15 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.170 0.155 19179 6111 1 15 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.593 -1.201 19179 6112 1 15 . 1 1 48 48 ALA H H 48 6.925 6.925 7.636 -0.711 19179 6113 1 15 . 1 1 49 49 GLU N N 49 118.249 118.249 120.435 -2.186 19179 6114 1 15 . 1 1 49 49 GLU HA H 49 3.613 3.613 3.960 -0.347 19179 6115 1 15 . 1 1 49 49 GLU C C 49 177.879 177.879 178.574 -0.695 19179 6116 1 15 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.224 1.098 19179 6117 1 15 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.941 -0.073 19179 6118 1 15 . 1 1 49 49 GLU H H 49 8.288 8.288 7.725 0.563 19179 6119 1 15 . 1 1 50 50 GLU N N 50 117.450 117.450 121.175 -3.725 19179 6120 1 15 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.062 -0.140 19179 6121 1 15 . 1 1 50 50 GLU C C 50 179.532 179.532 178.877 0.655 19179 6122 1 15 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.006 0.747 19179 6123 1 15 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.882 -0.854 19179 6124 1 15 . 1 1 50 50 GLU H H 50 8.108 8.108 8.003 0.105 19179 6125 1 15 . 1 1 51 51 LEU N N 51 120.169 120.169 120.474 -0.305 19179 6126 1 15 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.095 0.212 19179 6127 1 15 . 1 1 51 51 LEU C C 51 178.285 178.285 178.720 -0.435 19179 6128 1 15 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.129 -0.691 19179 6129 1 15 . 1 1 51 51 LEU CB C 51 40.766 40.766 40.971 -0.205 19179 6130 1 15 . 1 1 51 51 LEU H H 51 7.835 7.835 8.350 -0.515 19179 6131 1 15 . 1 1 52 52 ALA N N 52 121.167 121.167 122.125 -0.958 19179 6132 1 15 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.061 -0.266 19179 6133 1 15 . 1 1 52 52 ALA C C 52 178.611 178.611 179.437 -0.826 19179 6134 1 15 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.133 0.514 19179 6135 1 15 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.457 -0.281 19179 6136 1 15 . 1 1 52 52 ALA H H 52 8.286 8.286 8.593 -0.307 19179 6137 1 15 . 1 1 53 53 ARG N N 53 115.092 115.092 119.303 -4.211 19179 6138 1 15 . 1 1 53 53 ARG HA H 53 3.727 3.727 3.950 -0.223 19179 6139 1 15 . 1 1 53 53 ARG C C 53 179.136 179.136 178.218 0.918 19179 6140 1 15 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.263 1.345 19179 6141 1 15 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.684 -0.164 19179 6142 1 15 . 1 1 53 53 ARG H H 53 7.957 7.957 8.186 -0.229 19179 6143 1 15 . 1 1 54 54 GLU N N 54 122.263 122.263 120.848 1.415 19179 6144 1 15 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.087 -0.023 19179 6145 1 15 . 1 1 54 54 GLU C C 54 179.159 179.159 178.664 0.495 19179 6146 1 15 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.593 -0.175 19179 6147 1 15 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.533 0.355 19179 6148 1 15 . 1 1 54 54 GLU H H 54 8.089 8.089 8.218 -0.129 19179 6149 1 15 . 1 1 55 55 LYS N N 55 118.511 118.511 118.905 -0.394 19179 6150 1 15 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.059 -0.249 19179 6151 1 15 . 1 1 55 55 LYS C C 55 179.078 179.078 178.335 0.743 19179 6152 1 15 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.132 0.678 19179 6153 1 15 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.655 0.088 19179 6154 1 15 . 1 1 55 55 LYS H H 55 9.118 9.118 7.883 1.235 19179 6155 1 15 . 1 1 56 56 PHE N N 56 119.918 119.918 118.391 1.527 19179 6156 1 15 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.290 -0.428 19179 6157 1 15 . 1 1 56 56 PHE H H 56 8.456 8.456 8.314 0.142 19179 6158 1 15 . 1 1 57 57 GLU N N 57 121.819 121.819 120.306 1.513 19179 6159 1 15 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.301 -0.173 19179 6160 1 15 . 1 1 57 57 GLU C C 57 177.889 177.889 178.493 -0.604 19179 6161 1 15 . 1 1 57 57 GLU CA C 57 59.238 59.238 59.027 0.211 19179 6162 1 15 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.726 -0.243 19179 6163 1 15 . 1 1 57 57 GLU H H 57 8.153 8.153 8.619 -0.466 19179 6164 1 15 . 1 1 58 58 LYS N N 58 115.784 115.784 118.666 -2.882 19179 6165 1 15 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.246 0.021 19179 6166 1 15 . 1 1 58 58 LYS C C 58 176.710 176.710 176.165 0.545 19179 6167 1 15 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.096 0.645 19179 6168 1 15 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.223 0.804 19179 6169 1 15 . 1 1 58 58 LYS H H 58 7.684 7.684 7.747 -0.063 19179 6170 1 15 . 1 1 59 59 GLY N N 59 130.075 130.075 108.870 21.205 19179 6171 1 15 . 1 1 59 59 GLY C C 59 175.969 175.969 172.813 3.156 19179 6172 1 15 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.300 1.030 19179 6173 1 15 . 1 1 59 59 GLY H H 59 7.644 7.644 7.367 0.278 19179 6174 1 15 . 1 1 60 60 GLU N N 60 117.714 117.714 122.212 -4.498 19179 6175 1 15 . 1 1 60 60 GLU HA H 60 4.339 4.339 3.645 0.694 19179 6176 1 15 . 1 1 60 60 GLU C C 60 175.359 175.359 175.417 -0.058 19179 6177 1 15 . 1 1 60 60 GLU CA C 60 55.533 55.533 56.415 -0.882 19179 6178 1 15 . 1 1 60 60 GLU CB C 60 30.356 30.356 29.775 0.581 19179 6179 1 15 . 1 1 60 60 GLU H H 60 8.008 8.008 8.189 -0.181 19179 6180 1 15 . 1 1 61 61 VAL N N 61 120.144 120.144 123.711 -3.567 19179 6181 1 15 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.027 0.495 19179 6182 1 15 . 1 1 61 61 VAL C C 61 176.175 176.175 175.267 0.908 19179 6183 1 15 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.874 -0.608 19179 6184 1 15 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.365 1.321 19179 6185 1 15 . 1 1 61 61 VAL H H 61 7.745 7.745 7.817 -0.072 19179 6186 1 15 . 1 1 62 62 SER N N 62 126.283 126.283 116.011 10.272 19179 6187 1 15 . 1 1 62 62 SER HA H 62 4.644 4.644 4.146 0.498 19179 6188 1 15 . 1 1 62 62 SER C C 62 176.781 176.781 173.461 3.320 19179 6189 1 15 . 1 1 62 62 SER CA C 62 60.796 60.796 59.185 1.611 19179 6190 1 15 . 1 1 62 62 SER CB C 62 65.061 65.061 61.726 3.335 19179 6191 1 15 . 1 1 62 62 SER H H 62 11.396 11.396 8.677 2.719 19179 6192 1 15 . 1 1 63 63 ASN N N 63 118.526 118.526 115.633 2.893 19179 6193 1 15 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.493 0.239 19179 6194 1 15 . 1 1 63 63 ASN C C 63 172.632 172.632 174.342 -1.710 19179 6195 1 15 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.970 0.616 19179 6196 1 15 . 1 1 63 63 ASN CB C 63 39.772 39.772 37.341 2.431 19179 6197 1 15 . 1 1 63 63 ASN H H 63 10.333 10.333 8.392 1.941 19179 6198 1 15 . 1 1 64 64 PHE N N 64 112.992 112.992 114.104 -1.112 19179 6199 1 15 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.085 0.781 19179 6200 1 15 . 1 1 64 64 PHE C C 64 174.310 174.310 174.034 0.276 19179 6201 1 15 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.851 -2.225 19179 6202 1 15 . 1 1 64 64 PHE CB C 64 42.883 42.883 37.295 5.588 19179 6203 1 15 . 1 1 64 64 PHE H H 64 6.971 6.971 8.362 -1.391 19179 6204 1 15 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.935 -0.047 19179 6205 1 15 . 1 1 65 65 ASP C C 65 175.049 175.049 174.753 0.296 19179 6206 1 15 . 1 1 65 65 ASP CA C 65 53.647 53.647 52.916 0.731 19179 6207 1 15 . 1 1 65 65 ASP CB C 65 41.367 41.367 43.675 -2.308 19179 6208 1 15 . 1 1 66 66 ASP N N 66 119.568 119.568 121.281 -1.713 19179 6209 1 15 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.848 0.013 19179 6210 1 15 . 1 1 66 66 ASP C C 66 175.858 175.858 177.580 -1.722 19179 6211 1 15 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.965 -1.302 19179 6212 1 15 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.143 2.118 19179 6213 1 15 . 1 1 66 66 ASP H H 66 7.413 7.413 8.553 -1.140 19179 6214 1 15 . 1 1 67 67 VAL N N 67 127.826 127.826 121.956 5.870 19179 6215 1 15 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.692 -0.710 19179 6216 1 15 . 1 1 67 67 VAL C C 67 175.173 175.173 177.552 -2.379 19179 6217 1 15 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.331 -2.120 19179 6218 1 15 . 1 1 67 67 VAL CB C 67 30.848 30.848 31.747 -0.899 19179 6219 1 15 . 1 1 67 67 VAL H H 67 8.298 8.298 8.514 -0.216 19179 6220 1 15 . 1 1 68 68 GLU N N 68 120.580 120.580 119.262 1.318 19179 6221 1 15 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.846 0.203 19179 6222 1 15 . 1 1 68 68 GLU C C 68 180.052 180.052 178.428 1.624 19179 6223 1 15 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.727 -1.869 19179 6224 1 15 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.851 -1.447 19179 6225 1 15 . 1 1 68 68 GLU H H 68 7.909 7.909 8.479 -0.570 19179 6226 1 15 . 1 1 69 69 GLU N N 69 121.347 121.347 119.306 2.041 19179 6227 1 15 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.159 -0.227 19179 6228 1 15 . 1 1 69 69 GLU C C 69 179.095 179.095 178.419 0.676 19179 6229 1 15 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.756 0.231 19179 6230 1 15 . 1 1 69 69 GLU CB C 69 29.520 29.520 28.979 0.541 19179 6231 1 15 . 1 1 69 69 GLU H H 69 7.669 7.669 8.254 -0.585 19179 6232 1 15 . 1 1 70 70 LEU N N 70 120.330 120.330 120.862 -0.532 19179 6233 1 15 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.053 -1.108 19179 6234 1 15 . 1 1 70 70 LEU C C 70 177.014 177.014 178.817 -1.803 19179 6235 1 15 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.330 -0.851 19179 6236 1 15 . 1 1 70 70 LEU CB C 70 40.244 40.244 42.225 -1.981 19179 6237 1 15 . 1 1 70 70 LEU H H 70 7.184 7.184 7.989 -0.805 19179 6238 1 15 . 1 1 71 71 VAL N N 71 118.625 118.625 115.148 3.477 19179 6239 1 15 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.580 -0.510 19179 6240 1 15 . 1 1 71 71 VAL C C 71 177.049 177.049 177.756 -0.707 19179 6241 1 15 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.602 1.286 19179 6242 1 15 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.215 1.180 19179 6243 1 15 . 1 1 71 71 VAL H H 71 8.262 8.262 8.519 -0.257 19179 6244 1 15 . 1 1 72 72 LYS N N 72 116.770 116.770 120.373 -3.603 19179 6245 1 15 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.958 -0.121 19179 6246 1 15 . 1 1 72 72 LYS C C 72 179.439 179.439 178.946 0.493 19179 6247 1 15 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.556 0.398 19179 6248 1 15 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.866 0.753 19179 6249 1 15 . 1 1 72 72 LYS H H 72 7.791 7.791 7.799 -0.008 19179 6250 1 15 . 1 1 73 73 LYS N N 73 121.221 121.221 119.338 1.883 19179 6251 1 15 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.114 0.102 19179 6252 1 15 . 1 1 73 73 LYS C C 73 177.539 177.539 179.107 -1.568 19179 6253 1 15 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.166 -1.842 19179 6254 1 15 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.304 -0.398 19179 6255 1 15 . 1 1 73 73 LYS H H 73 7.796 7.796 7.812 -0.016 19179 6256 1 15 . 1 1 74 74 VAL N N 74 119.691 119.691 121.097 -1.406 19179 6257 1 15 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.640 -0.225 19179 6258 1 15 . 1 1 74 74 VAL C C 74 177.638 177.638 177.517 0.121 19179 6259 1 15 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.702 -0.839 19179 6260 1 15 . 1 1 74 74 VAL H H 74 8.445 8.445 8.018 0.427 19179 6261 1 15 . 1 1 75 75 VAL N N 75 120.095 120.095 119.003 1.092 19179 6262 1 15 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.727 -0.375 19179 6263 1 15 . 1 1 75 75 VAL C C 75 177.621 177.621 177.013 0.608 19179 6264 1 15 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.306 2.453 19179 6265 1 15 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.588 -2.432 19179 6266 1 15 . 1 1 75 75 VAL H H 75 8.521 8.521 7.951 0.570 19179 6267 1 15 . 1 1 76 76 ALA N N 76 120.276 120.276 122.467 -2.191 19179 6268 1 15 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.067 0.124 19179 6269 1 15 . 1 1 76 76 ALA C C 76 181.968 181.968 179.705 2.263 19179 6270 1 15 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.295 0.186 19179 6271 1 15 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.086 0.309 19179 6272 1 15 . 1 1 76 76 ALA H H 76 7.839 7.839 7.866 -0.027 19179 6273 1 15 . 1 1 77 77 VAL N N 77 114.746 114.746 119.022 -4.276 19179 6274 1 15 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.791 0.227 19179 6275 1 15 . 1 1 77 77 VAL C C 77 178.133 178.133 177.471 0.662 19179 6276 1 15 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.233 -0.703 19179 6277 1 15 . 1 1 77 77 VAL CB C 77 30.943 30.943 32.035 -1.092 19179 6278 1 15 . 1 1 77 77 VAL H H 77 8.662 8.662 7.820 0.842 19179 6279 1 15 . 1 1 78 78 CYS N N 78 119.096 119.096 118.255 0.841 19179 6280 1 15 . 1 1 78 78 CYS HA H 78 3.991 3.991 4.072 -0.081 19179 6281 1 15 . 1 1 78 78 CYS C C 78 177.621 177.621 177.030 0.591 19179 6282 1 15 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.533 1.243 19179 6283 1 15 . 1 1 78 78 CYS CB C 78 27.340 27.340 26.976 0.364 19179 6284 1 15 . 1 1 78 78 CYS H H 78 7.740 7.740 7.879 -0.139 19179 6285 1 15 . 1 1 79 79 GLU N N 79 118.797 118.797 118.416 0.381 19179 6286 1 15 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.101 -0.065 19179 6287 1 15 . 1 1 79 79 GLU C C 79 179.135 179.135 179.334 -0.199 19179 6288 1 15 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.608 0.292 19179 6289 1 15 . 1 1 79 79 GLU CB C 79 29.710 29.710 28.808 0.902 19179 6290 1 15 . 1 1 79 79 GLU H H 79 8.106 8.106 8.325 -0.219 19179 6291 1 15 . 1 1 80 80 GLU N N 80 119.483 119.483 120.941 -1.458 19179 6292 1 15 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.100 -0.479 19179 6293 1 15 . 1 1 80 80 GLU C C 80 177.433 177.433 177.864 -0.431 19179 6294 1 15 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.667 0.044 19179 6295 1 15 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.482 1.176 19179 6296 1 15 . 1 1 80 80 GLU H H 80 8.167 8.167 8.245 -0.078 19179 6297 1 15 . 1 1 81 81 LEU N N 81 117.475 117.475 117.280 0.195 19179 6298 1 15 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.265 0.387 19179 6299 1 15 . 1 1 81 81 LEU C C 81 177.355 177.355 177.089 0.266 19179 6300 1 15 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.817 -0.408 19179 6301 1 15 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.514 -1.060 19179 6302 1 15 . 1 1 81 81 LEU H H 81 8.145 8.145 7.574 0.571 19179 6303 1 15 . 1 1 82 82 GLY N N 82 127.998 127.998 107.403 20.595 19179 6304 1 15 . 1 1 82 82 GLY C C 82 175.024 175.024 173.555 1.469 19179 6305 1 15 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.839 1.800 19179 6306 1 15 . 1 1 82 82 GLY H H 82 7.218 7.218 7.831 -0.613 19179 6307 1 15 . 1 1 83 83 ALA N N 83 126.068 126.068 120.993 5.075 19179 6308 1 15 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.761 -0.260 19179 6309 1 15 . 1 1 83 83 ALA C C 83 177.567 177.567 175.744 1.823 19179 6310 1 15 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.128 0.976 19179 6311 1 15 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.767 -1.193 19179 6312 1 15 . 1 1 83 83 ALA H H 83 8.202 8.202 7.469 0.733 19179 6313 1 15 . 1 1 84 84 GLU N N 84 118.661 118.661 122.167 -3.506 19179 6314 1 15 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.841 -0.589 19179 6315 1 15 . 1 1 84 84 GLU C C 84 175.915 175.915 175.208 0.707 19179 6316 1 15 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.132 2.539 19179 6317 1 15 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.203 -0.537 19179 6318 1 15 . 1 1 84 84 GLU H H 84 9.004 9.004 9.014 -0.010 19179 6319 1 15 . 1 1 85 85 GLU N N 85 111.162 111.162 115.680 -4.518 19179 6320 1 15 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.438 -0.557 19179 6321 1 15 . 1 1 85 85 GLU C C 85 173.815 173.815 174.011 -0.196 19179 6322 1 15 . 1 1 85 85 GLU CA C 85 53.657 53.657 55.505 -1.848 19179 6323 1 15 . 1 1 85 85 GLU CB C 85 32.364 32.364 31.074 1.290 19179 6324 1 15 . 1 1 85 85 GLU H H 85 7.318 7.318 8.250 -0.932 19179 6325 1 15 . 1 1 86 86 CYS N N 86 122.106 122.106 122.310 -0.204 19179 6326 1 15 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.855 -0.777 19179 6327 1 15 . 1 1 86 86 CYS C C 86 177.088 177.088 175.689 1.399 19179 6328 1 15 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.195 2.275 19179 6329 1 15 . 1 1 86 86 CYS CB C 86 29.441 29.441 25.308 4.133 19179 6330 1 15 . 1 1 86 86 CYS H H 86 8.035 8.035 8.692 -0.657 19179 6331 1 15 . 1 1 87 87 PHE N N 87 129.406 129.406 128.358 1.048 19179 6332 1 15 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.195 0.297 19179 6333 1 15 . 1 1 87 87 PHE C C 87 176.921 176.921 176.795 0.126 19179 6334 1 15 . 1 1 87 87 PHE CA C 87 59.597 59.597 61.193 -1.596 19179 6335 1 15 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.312 -0.373 19179 6336 1 15 . 1 1 87 87 PHE H H 87 8.292 8.292 8.749 -0.457 19179 6337 1 15 . 1 1 88 88 SER N N 88 118.356 118.356 115.723 2.633 19179 6338 1 15 . 1 1 88 88 SER HA H 88 4.131 4.131 4.452 -0.321 19179 6339 1 15 . 1 1 88 88 SER C C 88 174.940 174.940 175.915 -0.975 19179 6340 1 15 . 1 1 88 88 SER CA C 88 60.832 60.832 60.463 0.369 19179 6341 1 15 . 1 1 88 88 SER CB C 88 62.143 62.143 62.645 -0.502 19179 6342 1 15 . 1 1 88 88 SER H H 88 8.436 8.436 8.470 -0.034 19179 6343 1 15 . 1 1 89 89 CYS N N 89 125.476 125.476 118.187 7.289 19179 6344 1 15 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.472 -0.359 19179 6345 1 15 . 1 1 89 89 CYS C C 89 174.660 174.660 176.286 -1.626 19179 6346 1 15 . 1 1 89 89 CYS CA C 89 63.763 63.763 60.430 3.333 19179 6347 1 15 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.832 3.603 19179 6348 1 15 . 1 1 89 89 CYS H H 89 7.699 7.699 8.042 -0.343 19179 6349 1 15 . 1 1 90 90 ASP N N 90 119.756 119.756 117.220 2.536 19179 6350 1 15 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.715 -0.198 19179 6351 1 15 . 1 1 90 90 ASP C C 90 175.429 175.429 175.112 0.317 19179 6352 1 15 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.715 -0.673 19179 6353 1 15 . 1 1 90 90 ASP CB C 90 42.007 42.007 42.597 -0.590 19179 6354 1 15 . 1 1 90 90 ASP H H 90 7.569 7.569 8.223 -0.654 19179 6355 1 15 . 1 1 91 91 PHE N N 91 120.531 120.531 122.198 -1.667 19179 6356 1 15 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.596 0.033 19179 6357 1 15 . 1 1 91 91 PHE C C 91 174.893 174.893 173.711 1.182 19179 6358 1 15 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.760 -0.500 19179 6359 1 15 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.178 -0.633 19179 6360 1 15 . 1 1 91 91 PHE H H 91 7.910 7.910 7.408 0.502 19179 6361 1 16 . 1 1 17 17 GLU C C 17 178.498 178.498 177.774 0.724 19179 6362 1 16 . 1 1 18 18 ALA N N 18 117.689 117.689 123.777 -6.088 19179 6363 1 16 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.041 0.333 19179 6364 1 16 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.360 0.065 19179 6365 1 16 . 1 1 18 18 ALA H H 18 8.085 8.085 8.332 -0.247 19179 6366 1 16 . 1 1 19 19 VAL C C 19 177.450 177.450 177.258 0.192 19179 6367 1 16 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.083 0.729 19179 6368 1 16 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.870 -0.601 19179 6369 1 16 . 1 1 20 20 TYR N N 20 116.865 116.865 118.748 -1.883 19179 6370 1 16 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.214 -0.089 19179 6371 1 16 . 1 1 20 20 TYR C C 20 179.914 179.914 178.216 1.698 19179 6372 1 16 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.819 1.511 19179 6373 1 16 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.964 -0.782 19179 6374 1 16 . 1 1 20 20 TYR H H 20 8.138 8.138 8.218 -0.080 19179 6375 1 16 . 1 1 21 21 ILE N N 21 122.973 122.973 118.688 4.285 19179 6376 1 16 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.827 -0.169 19179 6377 1 16 . 1 1 21 21 ILE C C 21 176.306 176.306 177.560 -1.254 19179 6378 1 16 . 1 1 21 21 ILE CA C 21 66.099 66.099 62.538 3.562 19179 6379 1 16 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.024 0.862 19179 6380 1 16 . 1 1 21 21 ILE H H 21 8.112 8.112 8.254 -0.142 19179 6381 1 16 . 1 1 22 22 ALA N N 22 122.302 122.302 122.183 0.119 19179 6382 1 16 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.128 -0.281 19179 6383 1 16 . 1 1 22 22 ALA C C 22 179.987 179.987 179.437 0.550 19179 6384 1 16 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.148 0.036 19179 6385 1 16 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.663 0.271 19179 6386 1 16 . 1 1 22 22 ALA H H 22 7.839 7.839 8.050 -0.211 19179 6387 1 16 . 1 1 23 23 ILE N N 23 119.408 119.408 116.042 3.366 19179 6388 1 16 . 1 1 23 23 ILE HA H 23 4.370 4.370 4.060 0.310 19179 6389 1 16 . 1 1 23 23 ILE C C 23 180.184 180.184 175.669 4.515 19179 6390 1 16 . 1 1 23 23 ILE CA C 23 63.705 63.705 62.721 0.984 19179 6391 1 16 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.595 -0.253 19179 6392 1 16 . 1 1 23 23 ILE H H 23 8.328 8.328 7.991 0.337 19179 6393 1 16 . 1 1 24 24 GLU N N 24 125.684 125.684 119.673 6.011 19179 6394 1 16 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.258 -0.370 19179 6395 1 16 . 1 1 24 24 GLU C C 24 178.861 178.861 177.083 1.778 19179 6396 1 16 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.064 -3.476 19179 6397 1 16 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.689 -0.603 19179 6398 1 16 . 1 1 24 24 GLU H H 24 8.344 8.344 8.374 -0.030 19179 6399 1 16 . 1 1 25 25 ALA N N 25 117.589 117.589 121.362 -3.773 19179 6400 1 16 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.320 -0.128 19179 6401 1 16 . 1 1 25 25 ALA C C 25 177.866 177.866 177.125 0.741 19179 6402 1 16 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.564 -0.104 19179 6403 1 16 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.958 0.373 19179 6404 1 16 . 1 1 25 25 ALA H H 25 8.228 8.228 7.590 0.638 19179 6405 1 16 . 1 1 26 26 GLY N N 26 129.923 129.923 103.534 26.389 19179 6406 1 16 . 1 1 26 26 GLY C C 26 173.535 173.535 175.682 -2.147 19179 6407 1 16 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.166 -0.379 19179 6408 1 16 . 1 1 26 26 GLY H H 26 8.189 8.189 7.818 0.371 19179 6409 1 16 . 1 1 27 27 THR N N 27 119.446 119.446 117.426 2.020 19179 6410 1 16 . 1 1 27 27 THR HA H 27 4.445 4.445 4.040 0.405 19179 6411 1 16 . 1 1 27 27 THR C C 27 176.521 176.521 174.785 1.736 19179 6412 1 16 . 1 1 27 27 THR CA C 27 66.568 66.568 65.620 0.948 19179 6413 1 16 . 1 1 27 27 THR CB C 27 51.731 51.731 69.196 -17.465 19179 6414 1 16 . 1 1 27 27 THR H H 27 7.919 7.919 8.131 -0.212 19179 6415 1 16 . 1 1 28 28 LEU N N 28 119.632 119.632 117.396 2.236 19179 6416 1 16 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.415 0.598 19179 6417 1 16 . 1 1 28 28 LEU C C 28 173.798 173.798 174.143 -0.345 19179 6418 1 16 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.181 -1.181 19179 6419 1 16 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.489 2.332 19179 6420 1 16 . 1 1 28 28 LEU H H 28 7.026 7.026 7.363 -0.337 19179 6421 1 16 . 1 1 29 29 ALA N N 29 121.053 121.053 120.231 0.822 19179 6422 1 16 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.579 -0.187 19179 6423 1 16 . 1 1 29 29 ALA C C 29 173.471 173.471 173.981 -0.510 19179 6424 1 16 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.173 0.510 19179 6425 1 16 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.227 1.743 19179 6426 1 16 . 1 1 29 29 ALA H H 29 8.856 8.856 7.907 0.949 19179 6427 1 16 . 1 1 30 30 GLU N N 30 119.234 119.234 118.846 0.388 19179 6428 1 16 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.448 0.351 19179 6429 1 16 . 1 1 30 30 GLU C C 30 176.292 176.292 174.577 1.715 19179 6430 1 16 . 1 1 30 30 GLU CA C 30 53.461 53.461 53.924 -0.463 19179 6431 1 16 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.870 1.265 19179 6432 1 16 . 1 1 30 30 GLU H H 30 8.244 8.244 8.192 0.052 19179 6433 1 16 . 1 1 31 31 CYS N N 31 129.774 129.774 123.697 6.077 19179 6434 1 16 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.399 -0.087 19179 6435 1 16 . 1 1 31 31 CYS C C 31 175.519 175.519 176.605 -1.086 19179 6436 1 16 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.062 1.482 19179 6437 1 16 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.198 1.390 19179 6438 1 16 . 1 1 31 31 CYS H H 31 8.586 8.586 8.793 -0.207 19179 6439 1 16 . 1 1 32 32 GLU N N 32 126.867 126.867 128.208 -1.341 19179 6440 1 16 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.158 -0.069 19179 6441 1 16 . 1 1 32 32 GLU C C 32 177.061 177.061 175.668 1.393 19179 6442 1 16 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.488 0.240 19179 6443 1 16 . 1 1 32 32 GLU CB C 32 30.433 30.433 28.839 1.594 19179 6444 1 16 . 1 1 32 32 GLU H H 32 8.756 8.756 8.894 -0.138 19179 6445 1 16 . 1 1 33 33 VAL N N 33 122.528 122.528 117.938 4.590 19179 6446 1 16 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.184 -0.366 19179 6447 1 16 . 1 1 33 33 VAL C C 33 176.434 176.434 174.537 1.897 19179 6448 1 16 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.022 2.110 19179 6449 1 16 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.773 0.971 19179 6450 1 16 . 1 1 33 33 VAL H H 33 8.935 8.935 7.817 1.118 19179 6451 1 16 . 1 1 34 34 HIS N N 34 126.015 126.015 119.890 6.125 19179 6452 1 16 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.840 -0.265 19179 6453 1 16 . 1 1 34 34 HIS C C 34 173.077 173.077 173.758 -0.681 19179 6454 1 16 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.917 2.718 19179 6455 1 16 . 1 1 34 34 HIS CB C 34 28.789 28.789 30.058 -1.269 19179 6456 1 16 . 1 1 34 34 HIS H H 34 8.834 8.834 7.744 1.090 19179 6457 1 16 . 1 1 35 35 GLU N N 35 122.059 122.059 126.176 -4.117 19179 6458 1 16 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.209 -0.112 19179 6459 1 16 . 1 1 35 35 GLU C C 35 178.839 178.839 177.371 1.468 19179 6460 1 16 . 1 1 35 35 GLU CA C 35 58.068 58.068 56.954 1.114 19179 6461 1 16 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.476 0.257 19179 6462 1 16 . 1 1 35 35 GLU H H 35 7.643 7.643 8.902 -1.259 19179 6463 1 16 . 1 1 36 36 GLY N N 36 114.969 114.969 114.703 0.266 19179 6464 1 16 . 1 1 36 36 GLY C C 36 173.165 173.165 174.370 -1.205 19179 6465 1 16 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.860 0.126 19179 6466 1 16 . 1 1 36 36 GLY H H 36 10.615 10.615 8.788 1.827 19179 6467 1 16 . 1 1 37 37 THR N N 37 116.476 116.476 117.850 -1.374 19179 6468 1 16 . 1 1 37 37 THR HA H 37 4.466 4.466 4.471 -0.005 19179 6469 1 16 . 1 1 37 37 THR C C 37 172.121 172.121 173.141 -1.020 19179 6470 1 16 . 1 1 37 37 THR CA C 37 62.490 62.490 63.607 -1.117 19179 6471 1 16 . 1 1 37 37 THR CB C 37 68.752 68.752 69.861 -1.109 19179 6472 1 16 . 1 1 37 37 THR H H 37 7.669 7.669 7.693 -0.024 19179 6473 1 16 . 1 1 38 38 TYR N N 38 124.951 124.951 125.201 -0.250 19179 6474 1 16 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.619 1.016 19179 6475 1 16 . 1 1 38 38 TYR C C 38 174.538 174.538 173.949 0.589 19179 6476 1 16 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.460 -1.459 19179 6477 1 16 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.177 -0.566 19179 6478 1 16 . 1 1 38 38 TYR H H 38 8.622 8.622 8.478 0.144 19179 6479 1 16 . 1 1 39 39 PHE N N 39 115.194 115.194 114.858 0.336 19179 6480 1 16 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.989 0.095 19179 6481 1 16 . 1 1 39 39 PHE C C 39 173.379 173.379 173.166 0.213 19179 6482 1 16 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.709 -1.772 19179 6483 1 16 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.147 -0.927 19179 6484 1 16 . 1 1 39 39 PHE H H 39 8.483 8.483 8.713 -0.230 19179 6485 1 16 . 1 1 40 40 SER N N 40 114.429 114.429 120.246 -5.817 19179 6486 1 16 . 1 1 40 40 SER HA H 40 4.341 4.341 4.494 -0.153 19179 6487 1 16 . 1 1 40 40 SER C C 40 173.355 173.355 174.308 -0.953 19179 6488 1 16 . 1 1 40 40 SER CA C 40 60.726 60.726 57.783 2.943 19179 6489 1 16 . 1 1 40 40 SER CB C 40 63.544 63.544 64.628 -1.084 19179 6490 1 16 . 1 1 40 40 SER H H 40 9.519 9.519 8.459 1.060 19179 6491 1 16 . 1 1 41 41 ASP N N 41 125.551 125.551 124.330 1.221 19179 6492 1 16 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.504 0.409 19179 6493 1 16 . 1 1 41 41 ASP C C 41 176.230 176.230 175.772 0.458 19179 6494 1 16 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.322 -1.583 19179 6495 1 16 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.045 -1.320 19179 6496 1 16 . 1 1 41 41 ASP H H 41 8.431 8.431 8.875 -0.444 19179 6497 1 16 . 1 1 42 42 SER N N 42 114.674 114.674 121.206 -6.532 19179 6498 1 16 . 1 1 42 42 SER HA H 42 4.370 4.370 4.384 -0.014 19179 6499 1 16 . 1 1 42 42 SER C C 42 177.229 177.229 175.663 1.566 19179 6500 1 16 . 1 1 42 42 SER CA C 42 59.770 59.770 59.977 -0.207 19179 6501 1 16 . 1 1 42 42 SER CB C 42 62.951 62.951 63.525 -0.574 19179 6502 1 16 . 1 1 42 42 SER H H 42 9.001 9.001 8.650 0.351 19179 6503 1 16 . 1 1 43 43 GLY N N 43 130.573 130.573 115.772 14.801 19179 6504 1 16 . 1 1 43 43 GLY C C 43 172.823 172.823 173.928 -1.105 19179 6505 1 16 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.874 0.955 19179 6506 1 16 . 1 1 43 43 GLY H H 43 8.261 8.261 8.796 -0.535 19179 6507 1 16 . 1 1 44 44 ASP N N 44 120.029 120.029 121.597 -1.568 19179 6508 1 16 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.948 -0.207 19179 6509 1 16 . 1 1 44 44 ASP C C 44 176.327 176.327 175.844 0.483 19179 6510 1 16 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.664 -0.355 19179 6511 1 16 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.691 -1.624 19179 6512 1 16 . 1 1 44 44 ASP H H 44 8.583 8.583 7.847 0.736 19179 6513 1 16 . 1 1 45 45 ILE N N 45 129.584 129.584 122.519 7.065 19179 6514 1 16 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.922 -0.231 19179 6515 1 16 . 1 1 45 45 ILE C C 45 177.352 177.352 177.517 -0.165 19179 6516 1 16 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.329 1.638 19179 6517 1 16 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.445 -0.632 19179 6518 1 16 . 1 1 45 45 ILE H H 45 8.589 8.589 8.313 0.276 19179 6519 1 16 . 1 1 46 46 SER N N 46 117.808 117.808 115.127 2.681 19179 6520 1 16 . 1 1 46 46 SER HA H 46 4.338 4.338 4.197 0.141 19179 6521 1 16 . 1 1 46 46 SER C C 46 177.116 177.116 176.707 0.409 19179 6522 1 16 . 1 1 46 46 SER CA C 46 61.744 61.744 61.540 0.204 19179 6523 1 16 . 1 1 46 46 SER CB C 46 62.502 62.502 62.609 -0.107 19179 6524 1 16 . 1 1 46 46 SER H H 46 8.275 8.275 8.287 -0.012 19179 6525 1 16 . 1 1 47 47 GLU N N 47 121.839 121.839 122.091 -0.252 19179 6526 1 16 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.040 0.002 19179 6527 1 16 . 1 1 47 47 GLU C C 47 178.981 178.981 177.809 1.172 19179 6528 1 16 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.461 -0.043 19179 6529 1 16 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.451 -0.193 19179 6530 1 16 . 1 1 47 47 GLU H H 47 7.372 7.372 8.055 -0.683 19179 6531 1 16 . 1 1 48 48 ALA N N 48 122.935 122.935 121.581 1.354 19179 6532 1 16 . 1 1 48 48 ALA HA H 48 3.861 3.861 3.982 -0.121 19179 6533 1 16 . 1 1 48 48 ALA C C 48 178.641 178.641 179.451 -0.810 19179 6534 1 16 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.532 -0.207 19179 6535 1 16 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.141 -0.749 19179 6536 1 16 . 1 1 48 48 ALA H H 48 6.925 6.925 7.580 -0.655 19179 6537 1 16 . 1 1 49 49 GLU N N 49 118.249 118.249 119.548 -1.299 19179 6538 1 16 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.003 -0.390 19179 6539 1 16 . 1 1 49 49 GLU C C 49 177.879 177.879 178.650 -0.771 19179 6540 1 16 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.214 1.108 19179 6541 1 16 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.928 -0.060 19179 6542 1 16 . 1 1 49 49 GLU H H 49 8.288 8.288 7.748 0.540 19179 6543 1 16 . 1 1 50 50 GLU N N 50 117.450 117.450 120.839 -3.389 19179 6544 1 16 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.052 -0.130 19179 6545 1 16 . 1 1 50 50 GLU C C 50 179.532 179.532 179.135 0.397 19179 6546 1 16 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.500 0.253 19179 6547 1 16 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.556 -0.528 19179 6548 1 16 . 1 1 50 50 GLU H H 50 8.108 8.108 7.935 0.173 19179 6549 1 16 . 1 1 51 51 LEU N N 51 120.169 120.169 117.281 2.888 19179 6550 1 16 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.164 0.143 19179 6551 1 16 . 1 1 51 51 LEU C C 51 178.285 178.285 178.877 -0.592 19179 6552 1 16 . 1 1 51 51 LEU CA C 51 57.438 57.438 58.180 -0.742 19179 6553 1 16 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.065 -0.299 19179 6554 1 16 . 1 1 51 51 LEU H H 51 7.835 7.835 8.418 -0.583 19179 6555 1 16 . 1 1 52 52 ALA N N 52 121.167 121.167 124.082 -2.915 19179 6556 1 16 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.174 -0.379 19179 6557 1 16 . 1 1 52 52 ALA C C 52 178.611 178.611 179.556 -0.945 19179 6558 1 16 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.011 0.636 19179 6559 1 16 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.436 -0.261 19179 6560 1 16 . 1 1 52 52 ALA H H 52 8.286 8.286 8.314 -0.028 19179 6561 1 16 . 1 1 53 53 ARG N N 53 115.092 115.092 119.164 -4.072 19179 6562 1 16 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.055 -0.328 19179 6563 1 16 . 1 1 53 53 ARG C C 53 179.136 179.136 178.399 0.737 19179 6564 1 16 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.172 1.436 19179 6565 1 16 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.680 -0.160 19179 6566 1 16 . 1 1 53 53 ARG H H 53 7.957 7.957 8.559 -0.602 19179 6567 1 16 . 1 1 54 54 GLU N N 54 122.263 122.263 120.268 1.995 19179 6568 1 16 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.110 -0.046 19179 6569 1 16 . 1 1 54 54 GLU C C 54 179.159 179.159 178.900 0.259 19179 6570 1 16 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.800 -0.382 19179 6571 1 16 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.552 0.336 19179 6572 1 16 . 1 1 54 54 GLU H H 54 8.089 8.089 8.153 -0.064 19179 6573 1 16 . 1 1 55 55 LYS N N 55 118.511 118.511 119.056 -0.545 19179 6574 1 16 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.041 -0.231 19179 6575 1 16 . 1 1 55 55 LYS C C 55 179.078 179.078 179.299 -0.221 19179 6576 1 16 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.199 0.611 19179 6577 1 16 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.272 0.471 19179 6578 1 16 . 1 1 55 55 LYS H H 55 9.118 9.118 8.160 0.958 19179 6579 1 16 . 1 1 56 56 PHE N N 56 119.918 119.918 118.633 1.285 19179 6580 1 16 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.348 -0.486 19179 6581 1 16 . 1 1 56 56 PHE H H 56 8.456 8.456 8.561 -0.105 19179 6582 1 16 . 1 1 57 57 GLU N N 57 121.819 121.819 121.582 0.237 19179 6583 1 16 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.103 0.025 19179 6584 1 16 . 1 1 57 57 GLU C C 57 177.889 177.889 177.634 0.255 19179 6585 1 16 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.959 0.279 19179 6586 1 16 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.275 0.208 19179 6587 1 16 . 1 1 57 57 GLU H H 57 8.153 8.153 8.545 -0.392 19179 6588 1 16 . 1 1 58 58 LYS N N 58 115.784 115.784 118.158 -2.374 19179 6589 1 16 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.333 -0.066 19179 6590 1 16 . 1 1 58 58 LYS C C 58 176.710 176.710 176.486 0.224 19179 6591 1 16 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.390 1.352 19179 6592 1 16 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.561 0.466 19179 6593 1 16 . 1 1 58 58 LYS H H 58 7.684 7.684 7.772 -0.088 19179 6594 1 16 . 1 1 59 59 GLY N N 59 130.075 130.075 108.125 21.950 19179 6595 1 16 . 1 1 59 59 GLY C C 59 175.969 175.969 173.322 2.647 19179 6596 1 16 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.950 1.381 19179 6597 1 16 . 1 1 59 59 GLY H H 59 7.644 7.644 7.912 -0.268 19179 6598 1 16 . 1 1 60 60 GLU N N 60 117.714 117.714 122.057 -4.343 19179 6599 1 16 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.552 -0.213 19179 6600 1 16 . 1 1 60 60 GLU C C 60 175.359 175.359 175.090 0.269 19179 6601 1 16 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.674 -0.141 19179 6602 1 16 . 1 1 60 60 GLU CB C 60 30.356 30.356 29.697 0.659 19179 6603 1 16 . 1 1 60 60 GLU H H 60 8.008 8.008 8.529 -0.521 19179 6604 1 16 . 1 1 61 61 VAL N N 61 120.144 120.144 120.281 -0.137 19179 6605 1 16 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.551 -0.029 19179 6606 1 16 . 1 1 61 61 VAL C C 61 176.175 176.175 175.758 0.417 19179 6607 1 16 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.741 -0.474 19179 6608 1 16 . 1 1 61 61 VAL CB C 61 33.686 33.686 32.358 1.328 19179 6609 1 16 . 1 1 61 61 VAL H H 61 7.745 7.745 8.443 -0.698 19179 6610 1 16 . 1 1 62 62 SER N N 62 126.283 126.283 120.662 5.621 19179 6611 1 16 . 1 1 62 62 SER HA H 62 4.644 4.644 4.692 -0.048 19179 6612 1 16 . 1 1 62 62 SER C C 62 176.781 176.781 174.510 2.271 19179 6613 1 16 . 1 1 62 62 SER CA C 62 60.796 60.796 58.932 1.864 19179 6614 1 16 . 1 1 62 62 SER CB C 62 65.061 65.061 63.416 1.645 19179 6615 1 16 . 1 1 62 62 SER H H 62 11.396 11.396 8.892 2.504 19179 6616 1 16 . 1 1 63 63 ASN N N 63 118.526 118.526 119.273 -0.747 19179 6617 1 16 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.289 0.443 19179 6618 1 16 . 1 1 63 63 ASN C C 63 172.632 172.632 173.918 -1.286 19179 6619 1 16 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.821 1.765 19179 6620 1 16 . 1 1 63 63 ASN CB C 63 39.772 39.772 37.490 2.281 19179 6621 1 16 . 1 1 63 63 ASN H H 63 10.333 10.333 8.088 2.245 19179 6622 1 16 . 1 1 64 64 PHE N N 64 112.992 112.992 113.314 -0.322 19179 6623 1 16 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.170 0.696 19179 6624 1 16 . 1 1 64 64 PHE C C 64 174.310 174.310 174.529 -0.219 19179 6625 1 16 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.543 -1.917 19179 6626 1 16 . 1 1 64 64 PHE CB C 64 42.883 42.883 37.143 5.740 19179 6627 1 16 . 1 1 64 64 PHE H H 64 6.971 6.971 7.897 -0.926 19179 6628 1 16 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.543 0.345 19179 6629 1 16 . 1 1 65 65 ASP C C 65 175.049 175.049 176.762 -1.713 19179 6630 1 16 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.495 -0.848 19179 6631 1 16 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.008 0.359 19179 6632 1 16 . 1 1 66 66 ASP N N 66 119.568 119.568 118.438 1.130 19179 6633 1 16 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.577 0.284 19179 6634 1 16 . 1 1 66 66 ASP C C 66 175.858 175.858 177.514 -1.656 19179 6635 1 16 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.071 -0.408 19179 6636 1 16 . 1 1 66 66 ASP CB C 66 44.261 44.261 40.047 4.213 19179 6637 1 16 . 1 1 66 66 ASP H H 66 7.413 7.413 8.261 -0.848 19179 6638 1 16 . 1 1 67 67 VAL N N 67 127.826 127.826 121.320 6.506 19179 6639 1 16 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.556 -0.574 19179 6640 1 16 . 1 1 67 67 VAL C C 67 175.173 175.173 176.861 -1.688 19179 6641 1 16 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.102 -1.891 19179 6642 1 16 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.114 -1.266 19179 6643 1 16 . 1 1 67 67 VAL H H 67 8.298 8.298 7.736 0.562 19179 6644 1 16 . 1 1 68 68 GLU N N 68 120.580 120.580 118.716 1.864 19179 6645 1 16 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.826 0.223 19179 6646 1 16 . 1 1 68 68 GLU C C 68 180.052 180.052 178.621 1.431 19179 6647 1 16 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.575 -2.717 19179 6648 1 16 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.880 -1.476 19179 6649 1 16 . 1 1 68 68 GLU H H 68 7.909 7.909 8.855 -0.946 19179 6650 1 16 . 1 1 69 69 GLU N N 69 121.347 121.347 119.642 1.705 19179 6651 1 16 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.081 -0.149 19179 6652 1 16 . 1 1 69 69 GLU C C 69 179.095 179.095 178.714 0.381 19179 6653 1 16 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.743 0.244 19179 6654 1 16 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.498 0.022 19179 6655 1 16 . 1 1 69 69 GLU H H 69 7.669 7.669 8.054 -0.385 19179 6656 1 16 . 1 1 70 70 LEU N N 70 120.330 120.330 120.891 -0.561 19179 6657 1 16 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.948 -1.003 19179 6658 1 16 . 1 1 70 70 LEU C C 70 177.014 177.014 178.841 -1.827 19179 6659 1 16 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.097 -0.618 19179 6660 1 16 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.858 -1.614 19179 6661 1 16 . 1 1 70 70 LEU H H 70 7.184 7.184 8.104 -0.920 19179 6662 1 16 . 1 1 71 71 VAL N N 71 118.625 118.625 116.066 2.559 19179 6663 1 16 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.588 -0.518 19179 6664 1 16 . 1 1 71 71 VAL C C 71 177.049 177.049 177.717 -0.668 19179 6665 1 16 . 1 1 71 71 VAL CA C 71 67.888 67.888 65.944 1.944 19179 6666 1 16 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.859 0.536 19179 6667 1 16 . 1 1 71 71 VAL H H 71 8.262 8.262 8.443 -0.181 19179 6668 1 16 . 1 1 72 72 LYS N N 72 116.770 116.770 119.947 -3.177 19179 6669 1 16 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.882 -0.045 19179 6670 1 16 . 1 1 72 72 LYS C C 72 179.439 179.439 178.544 0.895 19179 6671 1 16 . 1 1 72 72 LYS CA C 72 59.954 59.954 60.071 -0.117 19179 6672 1 16 . 1 1 72 72 LYS CB C 72 32.619 32.619 32.129 0.490 19179 6673 1 16 . 1 1 72 72 LYS H H 72 7.791 7.791 8.107 -0.316 19179 6674 1 16 . 1 1 73 73 LYS N N 73 121.221 121.221 119.358 1.863 19179 6675 1 16 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.067 0.149 19179 6676 1 16 . 1 1 73 73 LYS C C 73 177.539 177.539 179.209 -1.670 19179 6677 1 16 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.450 -2.126 19179 6678 1 16 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.346 -0.440 19179 6679 1 16 . 1 1 73 73 LYS H H 73 7.796 7.796 7.717 0.079 19179 6680 1 16 . 1 1 74 74 VAL N N 74 119.691 119.691 120.435 -0.744 19179 6681 1 16 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.758 -0.343 19179 6682 1 16 . 1 1 74 74 VAL C C 74 177.638 177.638 177.844 -0.206 19179 6683 1 16 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.184 -0.321 19179 6684 1 16 . 1 1 74 74 VAL H H 74 8.445 8.445 7.980 0.465 19179 6685 1 16 . 1 1 75 75 VAL N N 75 120.095 120.095 120.643 -0.548 19179 6686 1 16 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.759 -0.407 19179 6687 1 16 . 1 1 75 75 VAL C C 75 177.621 177.621 177.525 0.096 19179 6688 1 16 . 1 1 75 75 VAL CA C 75 67.759 67.759 66.112 1.647 19179 6689 1 16 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.451 -2.295 19179 6690 1 16 . 1 1 75 75 VAL H H 75 8.521 8.521 8.378 0.143 19179 6691 1 16 . 1 1 76 76 ALA N N 76 120.276 120.276 122.408 -2.132 19179 6692 1 16 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.076 0.115 19179 6693 1 16 . 1 1 76 76 ALA C C 76 181.968 181.968 179.703 2.265 19179 6694 1 16 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.263 0.218 19179 6695 1 16 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.218 0.177 19179 6696 1 16 . 1 1 76 76 ALA H H 76 7.839 7.839 8.205 -0.366 19179 6697 1 16 . 1 1 77 77 VAL N N 77 114.746 114.746 119.230 -4.484 19179 6698 1 16 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.635 0.383 19179 6699 1 16 . 1 1 77 77 VAL C C 77 178.133 178.133 177.736 0.397 19179 6700 1 16 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.594 -1.064 19179 6701 1 16 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.953 -1.010 19179 6702 1 16 . 1 1 77 77 VAL H H 77 8.662 8.662 7.858 0.804 19179 6703 1 16 . 1 1 78 78 CYS N N 78 119.096 119.096 117.772 1.324 19179 6704 1 16 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.983 0.008 19179 6705 1 16 . 1 1 78 78 CYS C C 78 177.621 177.621 176.556 1.065 19179 6706 1 16 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.099 2.677 19179 6707 1 16 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.834 -0.494 19179 6708 1 16 . 1 1 78 78 CYS H H 78 7.740 7.740 8.469 -0.729 19179 6709 1 16 . 1 1 79 79 GLU N N 79 118.797 118.797 120.631 -1.834 19179 6710 1 16 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.065 -0.029 19179 6711 1 16 . 1 1 79 79 GLU C C 79 179.135 179.135 179.119 0.016 19179 6712 1 16 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.664 0.235 19179 6713 1 16 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.409 0.301 19179 6714 1 16 . 1 1 79 79 GLU H H 79 8.106 8.106 8.032 0.074 19179 6715 1 16 . 1 1 80 80 GLU N N 80 119.483 119.483 120.738 -1.255 19179 6716 1 16 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.125 -0.503 19179 6717 1 16 . 1 1 80 80 GLU C C 80 177.433 177.433 177.896 -0.463 19179 6718 1 16 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.630 0.081 19179 6719 1 16 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.555 1.103 19179 6720 1 16 . 1 1 80 80 GLU H H 80 8.167 8.167 8.286 -0.119 19179 6721 1 16 . 1 1 81 81 LEU N N 81 117.475 117.475 116.778 0.697 19179 6722 1 16 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.300 0.352 19179 6723 1 16 . 1 1 81 81 LEU C C 81 177.355 177.355 176.992 0.363 19179 6724 1 16 . 1 1 81 81 LEU CA C 81 54.409 54.409 55.274 -0.865 19179 6725 1 16 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.584 -1.131 19179 6726 1 16 . 1 1 81 81 LEU H H 81 8.145 8.145 7.588 0.557 19179 6727 1 16 . 1 1 82 82 GLY N N 82 127.998 127.998 108.033 19.965 19179 6728 1 16 . 1 1 82 82 GLY C C 82 175.024 175.024 173.577 1.447 19179 6729 1 16 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.985 1.654 19179 6730 1 16 . 1 1 82 82 GLY H H 82 7.218 7.218 7.626 -0.408 19179 6731 1 16 . 1 1 83 83 ALA N N 83 126.068 126.068 122.697 3.371 19179 6732 1 16 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.629 -0.128 19179 6733 1 16 . 1 1 83 83 ALA C C 83 177.567 177.567 175.622 1.945 19179 6734 1 16 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.641 0.463 19179 6735 1 16 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.459 -0.885 19179 6736 1 16 . 1 1 83 83 ALA H H 83 8.202 8.202 7.558 0.644 19179 6737 1 16 . 1 1 84 84 GLU N N 84 118.661 118.661 121.524 -2.863 19179 6738 1 16 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.751 -0.499 19179 6739 1 16 . 1 1 84 84 GLU C C 84 175.915 175.915 175.626 0.289 19179 6740 1 16 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.384 3.287 19179 6741 1 16 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.092 -0.426 19179 6742 1 16 . 1 1 84 84 GLU H H 84 9.004 9.004 8.842 0.162 19179 6743 1 16 . 1 1 85 85 GLU N N 85 111.162 111.162 117.996 -6.834 19179 6744 1 16 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.215 -0.334 19179 6745 1 16 . 1 1 85 85 GLU C C 85 173.815 173.815 173.812 0.003 19179 6746 1 16 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.173 -2.516 19179 6747 1 16 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.615 -0.251 19179 6748 1 16 . 1 1 85 85 GLU H H 85 7.318 7.318 7.859 -0.541 19179 6749 1 16 . 1 1 86 86 CYS N N 86 122.106 122.106 121.950 0.156 19179 6750 1 16 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.688 -0.610 19179 6751 1 16 . 1 1 86 86 CYS C C 86 177.088 177.088 176.143 0.945 19179 6752 1 16 . 1 1 86 86 CYS CA C 86 59.470 59.470 56.799 2.671 19179 6753 1 16 . 1 1 86 86 CYS CB C 86 29.441 29.441 26.032 3.409 19179 6754 1 16 . 1 1 86 86 CYS H H 86 8.035 8.035 8.222 -0.187 19179 6755 1 16 . 1 1 87 87 PHE N N 87 129.406 129.406 127.066 2.340 19179 6756 1 16 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.398 0.094 19179 6757 1 16 . 1 1 87 87 PHE C C 87 176.921 176.921 177.288 -0.367 19179 6758 1 16 . 1 1 87 87 PHE CA C 87 59.597 59.597 58.151 1.446 19179 6759 1 16 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.366 0.573 19179 6760 1 16 . 1 1 87 87 PHE H H 87 8.292 8.292 8.497 -0.205 19179 6761 1 16 . 1 1 88 88 SER N N 88 118.356 118.356 116.233 2.123 19179 6762 1 16 . 1 1 88 88 SER HA H 88 4.131 4.131 4.563 -0.432 19179 6763 1 16 . 1 1 88 88 SER C C 88 174.940 174.940 176.859 -1.919 19179 6764 1 16 . 1 1 88 88 SER CA C 88 60.832 60.832 60.996 -0.164 19179 6765 1 16 . 1 1 88 88 SER CB C 88 62.143 62.143 62.705 -0.562 19179 6766 1 16 . 1 1 88 88 SER H H 88 8.436 8.436 8.707 -0.271 19179 6767 1 16 . 1 1 89 89 CYS N N 89 125.476 125.476 121.548 3.928 19179 6768 1 16 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.531 -0.418 19179 6769 1 16 . 1 1 89 89 CYS C C 89 174.660 174.660 176.584 -1.924 19179 6770 1 16 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.710 2.053 19179 6771 1 16 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.075 4.360 19179 6772 1 16 . 1 1 89 89 CYS H H 89 7.699 7.699 7.698 0.001 19179 6773 1 16 . 1 1 90 90 ASP N N 90 119.756 119.756 117.631 2.125 19179 6774 1 16 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.749 -0.232 19179 6775 1 16 . 1 1 90 90 ASP C C 90 175.429 175.429 175.181 0.248 19179 6776 1 16 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.163 -0.121 19179 6777 1 16 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.825 0.182 19179 6778 1 16 . 1 1 90 90 ASP H H 90 7.569 7.569 8.094 -0.525 19179 6779 1 16 . 1 1 91 91 PHE N N 91 120.531 120.531 121.934 -1.403 19179 6780 1 16 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.607 0.022 19179 6781 1 16 . 1 1 91 91 PHE C C 91 174.893 174.893 173.921 0.972 19179 6782 1 16 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.186 0.074 19179 6783 1 16 . 1 1 91 91 PHE CB C 91 39.545 39.545 39.920 -0.375 19179 6784 1 16 . 1 1 91 91 PHE H H 91 7.910 7.910 7.894 0.016 19179 6785 1 17 . 1 1 17 17 GLU C C 17 178.498 178.498 178.026 0.472 19179 6786 1 17 . 1 1 18 18 ALA N N 18 117.689 117.689 122.652 -4.963 19179 6787 1 17 . 1 1 18 18 ALA CA C 18 55.374 55.374 54.991 0.383 19179 6788 1 17 . 1 1 18 18 ALA CB C 18 18.425 18.425 17.786 0.639 19179 6789 1 17 . 1 1 18 18 ALA H H 18 8.085 8.085 8.335 -0.250 19179 6790 1 17 . 1 1 19 19 VAL C C 19 177.450 177.450 176.899 0.551 19179 6791 1 17 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.892 0.920 19179 6792 1 17 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.729 -0.460 19179 6793 1 17 . 1 1 20 20 TYR N N 20 116.865 116.865 120.156 -3.291 19179 6794 1 17 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.234 -0.109 19179 6795 1 17 . 1 1 20 20 TYR C C 20 179.914 179.914 178.682 1.232 19179 6796 1 17 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.963 2.367 19179 6797 1 17 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.968 -0.786 19179 6798 1 17 . 1 1 20 20 TYR H H 20 8.138 8.138 7.635 0.503 19179 6799 1 17 . 1 1 21 21 ILE N N 21 122.973 122.973 119.977 2.996 19179 6800 1 17 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.821 -0.163 19179 6801 1 17 . 1 1 21 21 ILE C C 21 176.306 176.306 177.673 -1.367 19179 6802 1 17 . 1 1 21 21 ILE CA C 21 66.099 66.099 61.884 4.215 19179 6803 1 17 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.131 0.755 19179 6804 1 17 . 1 1 21 21 ILE H H 21 8.112 8.112 8.586 -0.474 19179 6805 1 17 . 1 1 22 22 ALA N N 22 122.302 122.302 122.063 0.239 19179 6806 1 17 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.100 -0.253 19179 6807 1 17 . 1 1 22 22 ALA C C 22 179.987 179.987 179.687 0.300 19179 6808 1 17 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.173 0.010 19179 6809 1 17 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.716 0.218 19179 6810 1 17 . 1 1 22 22 ALA H H 22 7.839 7.839 7.903 -0.064 19179 6811 1 17 . 1 1 23 23 ILE N N 23 119.408 119.408 113.287 6.121 19179 6812 1 17 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.974 0.396 19179 6813 1 17 . 1 1 23 23 ILE C C 23 180.184 180.184 176.592 3.592 19179 6814 1 17 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.867 -0.162 19179 6815 1 17 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.190 0.152 19179 6816 1 17 . 1 1 23 23 ILE H H 23 8.328 8.328 8.289 0.039 19179 6817 1 17 . 1 1 24 24 GLU N N 24 125.684 125.684 119.814 5.870 19179 6818 1 17 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.315 -0.427 19179 6819 1 17 . 1 1 24 24 GLU C C 24 178.861 178.861 177.081 1.780 19179 6820 1 17 . 1 1 24 24 GLU CA C 24 52.588 52.588 55.993 -3.405 19179 6821 1 17 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.989 -0.903 19179 6822 1 17 . 1 1 24 24 GLU H H 24 8.344 8.344 8.086 0.258 19179 6823 1 17 . 1 1 25 25 ALA N N 25 117.589 117.589 121.274 -3.685 19179 6824 1 17 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.353 -0.161 19179 6825 1 17 . 1 1 25 25 ALA C C 25 177.866 177.866 176.811 1.055 19179 6826 1 17 . 1 1 25 25 ALA CA C 25 52.460 52.460 52.392 0.068 19179 6827 1 17 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.067 0.264 19179 6828 1 17 . 1 1 25 25 ALA H H 25 8.228 8.228 7.820 0.408 19179 6829 1 17 . 1 1 26 26 GLY N N 26 129.923 129.923 104.240 25.683 19179 6830 1 17 . 1 1 26 26 GLY C C 26 173.535 173.535 174.880 -1.345 19179 6831 1 17 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.074 -0.287 19179 6832 1 17 . 1 1 26 26 GLY H H 26 8.189 8.189 7.605 0.584 19179 6833 1 17 . 1 1 27 27 THR N N 27 119.446 119.446 116.443 3.003 19179 6834 1 17 . 1 1 27 27 THR HA H 27 4.445 4.445 4.311 0.134 19179 6835 1 17 . 1 1 27 27 THR C C 27 176.521 176.521 174.348 2.173 19179 6836 1 17 . 1 1 27 27 THR CA C 27 66.568 66.568 65.224 1.344 19179 6837 1 17 . 1 1 27 27 THR CB C 27 51.731 51.731 70.147 -18.416 19179 6838 1 17 . 1 1 27 27 THR H H 27 7.919 7.919 7.721 0.198 19179 6839 1 17 . 1 1 28 28 LEU N N 28 119.632 119.632 118.828 0.804 19179 6840 1 17 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.519 0.494 19179 6841 1 17 . 1 1 28 28 LEU C C 28 173.798 173.798 174.338 -0.540 19179 6842 1 17 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.084 -1.084 19179 6843 1 17 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.591 2.230 19179 6844 1 17 . 1 1 28 28 LEU H H 28 7.026 7.026 7.520 -0.494 19179 6845 1 17 . 1 1 29 29 ALA N N 29 121.053 121.053 120.957 0.096 19179 6846 1 17 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.575 -0.183 19179 6847 1 17 . 1 1 29 29 ALA C C 29 173.471 173.471 174.260 -0.789 19179 6848 1 17 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.346 0.337 19179 6849 1 17 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.103 1.867 19179 6850 1 17 . 1 1 29 29 ALA H H 29 8.856 8.856 7.869 0.987 19179 6851 1 17 . 1 1 30 30 GLU N N 30 119.234 119.234 118.892 0.342 19179 6852 1 17 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.297 0.502 19179 6853 1 17 . 1 1 30 30 GLU C C 30 176.292 176.292 175.348 0.944 19179 6854 1 17 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.024 -0.563 19179 6855 1 17 . 1 1 30 30 GLU CB C 30 33.135 33.135 29.709 3.426 19179 6856 1 17 . 1 1 30 30 GLU H H 30 8.244 8.244 7.896 0.348 19179 6857 1 17 . 1 1 31 31 CYS N N 31 129.774 129.774 123.870 5.904 19179 6858 1 17 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.402 -0.090 19179 6859 1 17 . 1 1 31 31 CYS C C 31 175.519 175.519 174.824 0.695 19179 6860 1 17 . 1 1 31 31 CYS CA C 31 61.544 61.544 61.097 0.447 19179 6861 1 17 . 1 1 31 31 CYS CB C 31 28.588 28.588 28.156 0.432 19179 6862 1 17 . 1 1 31 31 CYS H H 31 8.586 8.586 8.692 -0.106 19179 6863 1 17 . 1 1 32 32 GLU N N 32 126.867 126.867 123.104 3.763 19179 6864 1 17 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.310 -0.221 19179 6865 1 17 . 1 1 32 32 GLU C C 32 177.061 177.061 175.784 1.277 19179 6866 1 17 . 1 1 32 32 GLU CA C 32 58.728 58.728 57.872 0.856 19179 6867 1 17 . 1 1 32 32 GLU CB C 32 30.433 30.433 28.915 1.518 19179 6868 1 17 . 1 1 32 32 GLU H H 32 8.756 8.756 8.497 0.259 19179 6869 1 17 . 1 1 33 33 VAL N N 33 122.528 122.528 115.341 7.187 19179 6870 1 17 . 1 1 33 33 VAL HA H 33 3.818 3.818 3.980 -0.162 19179 6871 1 17 . 1 1 33 33 VAL C C 33 176.434 176.434 174.703 1.731 19179 6872 1 17 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.248 1.884 19179 6873 1 17 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.561 1.183 19179 6874 1 17 . 1 1 33 33 VAL H H 33 8.935 8.935 7.379 1.556 19179 6875 1 17 . 1 1 34 34 HIS N N 34 126.015 126.015 117.186 8.829 19179 6876 1 17 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.854 -0.279 19179 6877 1 17 . 1 1 34 34 HIS C C 34 173.077 173.077 173.959 -0.882 19179 6878 1 17 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.675 2.961 19179 6879 1 17 . 1 1 34 34 HIS CB C 34 28.789 28.789 31.245 -2.456 19179 6880 1 17 . 1 1 34 34 HIS H H 34 8.834 8.834 7.479 1.355 19179 6881 1 17 . 1 1 35 35 GLU N N 35 122.059 122.059 124.515 -2.456 19179 6882 1 17 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.285 -0.188 19179 6883 1 17 . 1 1 35 35 GLU C C 35 178.839 178.839 177.435 1.404 19179 6884 1 17 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.825 0.243 19179 6885 1 17 . 1 1 35 35 GLU CB C 35 29.733 29.733 30.042 -0.309 19179 6886 1 17 . 1 1 35 35 GLU H H 35 7.643 7.643 8.655 -1.012 19179 6887 1 17 . 1 1 36 36 GLY N N 36 114.969 114.969 112.486 2.483 19179 6888 1 17 . 1 1 36 36 GLY C C 36 173.165 173.165 174.667 -1.502 19179 6889 1 17 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.071 -0.084 19179 6890 1 17 . 1 1 36 36 GLY H H 36 10.615 10.615 8.999 1.616 19179 6891 1 17 . 1 1 37 37 THR N N 37 116.476 116.476 117.961 -1.485 19179 6892 1 17 . 1 1 37 37 THR HA H 37 4.466 4.466 4.561 -0.095 19179 6893 1 17 . 1 1 37 37 THR C C 37 172.121 172.121 173.412 -1.291 19179 6894 1 17 . 1 1 37 37 THR CA C 37 62.490 62.490 62.859 -0.369 19179 6895 1 17 . 1 1 37 37 THR CB C 37 68.752 68.752 69.577 -0.825 19179 6896 1 17 . 1 1 37 37 THR H H 37 7.669 7.669 7.575 0.094 19179 6897 1 17 . 1 1 38 38 TYR N N 38 124.951 124.951 123.775 1.176 19179 6898 1 17 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.749 0.886 19179 6899 1 17 . 1 1 38 38 TYR C C 38 174.538 174.538 174.060 0.478 19179 6900 1 17 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.419 -1.418 19179 6901 1 17 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.495 -0.884 19179 6902 1 17 . 1 1 38 38 TYR H H 38 8.622 8.622 8.695 -0.073 19179 6903 1 17 . 1 1 39 39 PHE N N 39 115.194 115.194 115.646 -0.452 19179 6904 1 17 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.045 0.039 19179 6905 1 17 . 1 1 39 39 PHE C C 39 173.379 173.379 172.597 0.782 19179 6906 1 17 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.752 -1.814 19179 6907 1 17 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.410 -1.190 19179 6908 1 17 . 1 1 39 39 PHE H H 39 8.483 8.483 8.850 -0.367 19179 6909 1 17 . 1 1 40 40 SER N N 40 114.429 114.429 119.043 -4.614 19179 6910 1 17 . 1 1 40 40 SER HA H 40 4.341 4.341 4.527 -0.186 19179 6911 1 17 . 1 1 40 40 SER C C 40 173.355 173.355 174.757 -1.402 19179 6912 1 17 . 1 1 40 40 SER CA C 40 60.726 60.726 56.957 3.769 19179 6913 1 17 . 1 1 40 40 SER CB C 40 63.544 63.544 64.499 -0.954 19179 6914 1 17 . 1 1 40 40 SER H H 40 9.519 9.519 8.630 0.889 19179 6915 1 17 . 1 1 41 41 ASP N N 41 125.551 125.551 123.907 1.644 19179 6916 1 17 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.486 0.427 19179 6917 1 17 . 1 1 41 41 ASP C C 41 176.230 176.230 175.858 0.372 19179 6918 1 17 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.817 -2.078 19179 6919 1 17 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.205 -1.480 19179 6920 1 17 . 1 1 41 41 ASP H H 41 8.431 8.431 8.663 -0.232 19179 6921 1 17 . 1 1 42 42 SER N N 42 114.674 114.674 120.620 -5.946 19179 6922 1 17 . 1 1 42 42 SER HA H 42 4.370 4.370 4.364 0.006 19179 6923 1 17 . 1 1 42 42 SER C C 42 177.229 177.229 175.790 1.439 19179 6924 1 17 . 1 1 42 42 SER CA C 42 59.770 59.770 59.871 -0.101 19179 6925 1 17 . 1 1 42 42 SER CB C 42 62.951 62.951 63.592 -0.641 19179 6926 1 17 . 1 1 42 42 SER H H 42 9.001 9.001 8.560 0.441 19179 6927 1 17 . 1 1 43 43 GLY N N 43 130.573 130.573 116.062 14.511 19179 6928 1 17 . 1 1 43 43 GLY C C 43 172.823 172.823 173.762 -0.939 19179 6929 1 17 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.956 0.873 19179 6930 1 17 . 1 1 43 43 GLY H H 43 8.261 8.261 8.814 -0.553 19179 6931 1 17 . 1 1 44 44 ASP N N 44 120.029 120.029 121.126 -1.097 19179 6932 1 17 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.995 -0.254 19179 6933 1 17 . 1 1 44 44 ASP C C 44 176.327 176.327 175.214 1.113 19179 6934 1 17 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.456 -0.148 19179 6935 1 17 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.931 -1.864 19179 6936 1 17 . 1 1 44 44 ASP H H 44 8.583 8.583 7.836 0.747 19179 6937 1 17 . 1 1 45 45 ILE N N 45 129.584 129.584 122.365 7.219 19179 6938 1 17 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.880 -0.189 19179 6939 1 17 . 1 1 45 45 ILE C C 45 177.352 177.352 177.827 -0.475 19179 6940 1 17 . 1 1 45 45 ILE CA C 45 64.967 64.967 64.066 0.901 19179 6941 1 17 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.372 -0.559 19179 6942 1 17 . 1 1 45 45 ILE H H 45 8.589 8.589 8.437 0.152 19179 6943 1 17 . 1 1 46 46 SER N N 46 117.808 117.808 115.102 2.706 19179 6944 1 17 . 1 1 46 46 SER HA H 46 4.338 4.338 4.489 -0.151 19179 6945 1 17 . 1 1 46 46 SER C C 46 177.116 177.116 176.161 0.955 19179 6946 1 17 . 1 1 46 46 SER CA C 46 61.744 61.744 60.883 0.861 19179 6947 1 17 . 1 1 46 46 SER CB C 46 62.502 62.502 63.305 -0.803 19179 6948 1 17 . 1 1 46 46 SER H H 46 8.275 8.275 8.001 0.274 19179 6949 1 17 . 1 1 47 47 GLU N N 47 121.839 121.839 122.987 -1.148 19179 6950 1 17 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.043 -0.001 19179 6951 1 17 . 1 1 47 47 GLU C C 47 178.981 178.981 177.701 1.280 19179 6952 1 17 . 1 1 47 47 GLU CA C 47 59.418 59.418 58.813 0.605 19179 6953 1 17 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.329 -0.072 19179 6954 1 17 . 1 1 47 47 GLU H H 47 7.372 7.372 8.254 -0.882 19179 6955 1 17 . 1 1 48 48 ALA N N 48 122.935 122.935 120.783 2.152 19179 6956 1 17 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.118 -0.257 19179 6957 1 17 . 1 1 48 48 ALA C C 48 178.641 178.641 179.949 -1.308 19179 6958 1 17 . 1 1 48 48 ALA CA C 48 55.325 55.325 54.953 0.372 19179 6959 1 17 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.413 -1.021 19179 6960 1 17 . 1 1 48 48 ALA H H 48 6.925 6.925 7.580 -0.655 19179 6961 1 17 . 1 1 49 49 GLU N N 49 118.249 118.249 118.775 -0.526 19179 6962 1 17 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.106 -0.493 19179 6963 1 17 . 1 1 49 49 GLU C C 49 177.879 177.879 178.947 -1.068 19179 6964 1 17 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.654 0.668 19179 6965 1 17 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.288 -0.419 19179 6966 1 17 . 1 1 49 49 GLU H H 49 8.288 8.288 8.007 0.281 19179 6967 1 17 . 1 1 50 50 GLU N N 50 117.450 117.450 121.312 -3.862 19179 6968 1 17 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.092 -0.170 19179 6969 1 17 . 1 1 50 50 GLU C C 50 179.532 179.532 178.977 0.555 19179 6970 1 17 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.268 0.485 19179 6971 1 17 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.029 -0.001 19179 6972 1 17 . 1 1 50 50 GLU H H 50 8.108 8.108 8.179 -0.071 19179 6973 1 17 . 1 1 51 51 LEU N N 51 120.169 120.169 117.299 2.870 19179 6974 1 17 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.330 -0.023 19179 6975 1 17 . 1 1 51 51 LEU C C 51 178.285 178.285 179.042 -0.757 19179 6976 1 17 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.850 -0.412 19179 6977 1 17 . 1 1 51 51 LEU CB C 51 40.766 40.766 40.955 -0.189 19179 6978 1 17 . 1 1 51 51 LEU H H 51 7.835 7.835 8.225 -0.390 19179 6979 1 17 . 1 1 52 52 ALA N N 52 121.167 121.167 122.837 -1.670 19179 6980 1 17 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.169 -0.374 19179 6981 1 17 . 1 1 52 52 ALA C C 52 178.611 178.611 179.595 -0.984 19179 6982 1 17 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.045 0.602 19179 6983 1 17 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.529 -0.353 19179 6984 1 17 . 1 1 52 52 ALA H H 52 8.286 8.286 8.042 0.244 19179 6985 1 17 . 1 1 53 53 ARG N N 53 115.092 115.092 119.492 -4.400 19179 6986 1 17 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.387 -0.660 19179 6987 1 17 . 1 1 53 53 ARG C C 53 179.136 179.136 178.111 1.025 19179 6988 1 17 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.313 1.295 19179 6989 1 17 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.821 -0.301 19179 6990 1 17 . 1 1 53 53 ARG H H 53 7.957 7.957 8.550 -0.593 19179 6991 1 17 . 1 1 54 54 GLU N N 54 122.263 122.263 119.225 3.038 19179 6992 1 17 . 1 1 54 54 GLU HA H 54 4.064 4.064 3.989 0.075 19179 6993 1 17 . 1 1 54 54 GLU C C 54 179.159 179.159 178.829 0.330 19179 6994 1 17 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.014 0.404 19179 6995 1 17 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.378 0.510 19179 6996 1 17 . 1 1 54 54 GLU H H 54 8.089 8.089 7.938 0.151 19179 6997 1 17 . 1 1 55 55 LYS N N 55 118.511 118.511 119.989 -1.478 19179 6998 1 17 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.050 -0.240 19179 6999 1 17 . 1 1 55 55 LYS C C 55 179.078 179.078 179.172 -0.094 19179 7000 1 17 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.843 0.967 19179 7001 1 17 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.286 0.457 19179 7002 1 17 . 1 1 55 55 LYS H H 55 9.118 9.118 8.200 0.918 19179 7003 1 17 . 1 1 56 56 PHE N N 56 119.918 119.918 117.101 2.817 19179 7004 1 17 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.405 -0.543 19179 7005 1 17 . 1 1 56 56 PHE H H 56 8.456 8.456 8.347 0.109 19179 7006 1 17 . 1 1 57 57 GLU N N 57 121.819 121.819 119.739 2.080 19179 7007 1 17 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.537 0.591 19179 7008 1 17 . 1 1 57 57 GLU C C 57 177.889 177.889 177.407 0.482 19179 7009 1 17 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.452 0.786 19179 7010 1 17 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.970 0.513 19179 7011 1 17 . 1 1 57 57 GLU H H 57 8.153 8.153 7.313 0.840 19179 7012 1 17 . 1 1 58 58 LYS N N 58 115.784 115.784 117.615 -1.831 19179 7013 1 17 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.426 -0.159 19179 7014 1 17 . 1 1 58 58 LYS C C 58 176.710 176.710 175.495 1.215 19179 7015 1 17 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.203 1.539 19179 7016 1 17 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.398 -0.371 19179 7017 1 17 . 1 1 58 58 LYS H H 58 7.684 7.684 7.763 -0.079 19179 7018 1 17 . 1 1 59 59 GLY N N 59 130.075 130.075 108.316 21.759 19179 7019 1 17 . 1 1 59 59 GLY C C 59 175.969 175.969 173.340 2.629 19179 7020 1 17 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.978 1.352 19179 7021 1 17 . 1 1 59 59 GLY H H 59 7.644 7.644 7.483 0.161 19179 7022 1 17 . 1 1 60 60 GLU N N 60 117.714 117.714 121.500 -3.786 19179 7023 1 17 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.679 -0.340 19179 7024 1 17 . 1 1 60 60 GLU C C 60 175.359 175.359 175.379 -0.020 19179 7025 1 17 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.840 -0.307 19179 7026 1 17 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.897 -0.541 19179 7027 1 17 . 1 1 60 60 GLU H H 60 8.008 8.008 8.495 -0.487 19179 7028 1 17 . 1 1 61 61 VAL N N 61 120.144 120.144 121.138 -0.994 19179 7029 1 17 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.558 -0.036 19179 7030 1 17 . 1 1 61 61 VAL C C 61 176.175 176.175 175.784 0.391 19179 7031 1 17 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.268 -0.001 19179 7032 1 17 . 1 1 61 61 VAL CB C 61 33.686 33.686 33.409 0.277 19179 7033 1 17 . 1 1 61 61 VAL H H 61 7.745 7.745 8.504 -0.759 19179 7034 1 17 . 1 1 62 62 SER N N 62 126.283 126.283 122.515 3.768 19179 7035 1 17 . 1 1 62 62 SER HA H 62 4.644 4.644 4.177 0.467 19179 7036 1 17 . 1 1 62 62 SER C C 62 176.781 176.781 175.159 1.622 19179 7037 1 17 . 1 1 62 62 SER CA C 62 60.796 60.796 60.687 0.109 19179 7038 1 17 . 1 1 62 62 SER CB C 62 65.061 65.061 63.406 1.655 19179 7039 1 17 . 1 1 62 62 SER H H 62 11.396 11.396 8.935 2.461 19179 7040 1 17 . 1 1 63 63 ASN N N 63 118.526 118.526 116.032 2.494 19179 7041 1 17 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.844 -0.112 19179 7042 1 17 . 1 1 63 63 ASN C C 63 172.632 172.632 174.923 -2.291 19179 7043 1 17 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.518 1.068 19179 7044 1 17 . 1 1 63 63 ASN CB C 63 39.772 39.772 41.358 -1.585 19179 7045 1 17 . 1 1 63 63 ASN H H 63 10.333 10.333 8.673 1.660 19179 7046 1 17 . 1 1 64 64 PHE N N 64 112.992 112.992 117.570 -4.578 19179 7047 1 17 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.669 0.197 19179 7048 1 17 . 1 1 64 64 PHE C C 64 174.310 174.310 173.603 0.707 19179 7049 1 17 . 1 1 64 64 PHE CA C 64 56.626 56.626 57.871 -1.245 19179 7050 1 17 . 1 1 64 64 PHE CB C 64 42.883 42.883 39.642 3.241 19179 7051 1 17 . 1 1 64 64 PHE H H 64 6.971 6.971 7.668 -0.697 19179 7052 1 17 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.126 0.762 19179 7053 1 17 . 1 1 65 65 ASP C C 65 175.049 175.049 174.421 0.628 19179 7054 1 17 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.065 -0.418 19179 7055 1 17 . 1 1 65 65 ASP CB C 65 41.367 41.367 42.277 -0.910 19179 7056 1 17 . 1 1 66 66 ASP N N 66 119.568 119.568 122.165 -2.597 19179 7057 1 17 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.591 0.270 19179 7058 1 17 . 1 1 66 66 ASP C C 66 175.858 175.858 177.707 -1.849 19179 7059 1 17 . 1 1 66 66 ASP CA C 66 52.663 52.663 55.324 -2.661 19179 7060 1 17 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.370 1.891 19179 7061 1 17 . 1 1 66 66 ASP H H 66 7.413 7.413 8.451 -1.038 19179 7062 1 17 . 1 1 67 67 VAL N N 67 127.826 127.826 125.098 2.728 19179 7063 1 17 . 1 1 67 67 VAL HA H 67 2.982 2.982 4.179 -1.197 19179 7064 1 17 . 1 1 67 67 VAL C C 67 175.173 175.173 176.790 -1.617 19179 7065 1 17 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.335 -1.123 19179 7066 1 17 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.445 -1.597 19179 7067 1 17 . 1 1 67 67 VAL H H 67 8.298 8.298 8.667 -0.369 19179 7068 1 17 . 1 1 68 68 GLU N N 68 120.580 120.580 118.699 1.881 19179 7069 1 17 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.100 -0.051 19179 7070 1 17 . 1 1 68 68 GLU C C 68 180.052 180.052 178.487 1.565 19179 7071 1 17 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.779 -1.921 19179 7072 1 17 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.133 -1.729 19179 7073 1 17 . 1 1 68 68 GLU H H 68 7.909 7.909 8.214 -0.305 19179 7074 1 17 . 1 1 69 69 GLU N N 69 121.347 121.347 120.479 0.868 19179 7075 1 17 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.117 -0.185 19179 7076 1 17 . 1 1 69 69 GLU C C 69 179.095 179.095 178.496 0.599 19179 7077 1 17 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.755 0.232 19179 7078 1 17 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.432 0.088 19179 7079 1 17 . 1 1 69 69 GLU H H 69 7.669 7.669 8.201 -0.532 19179 7080 1 17 . 1 1 70 70 LEU N N 70 120.330 120.330 120.682 -0.352 19179 7081 1 17 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.892 -0.947 19179 7082 1 17 . 1 1 70 70 LEU C C 70 177.014 177.014 179.051 -2.037 19179 7083 1 17 . 1 1 70 70 LEU CA C 70 57.479 57.479 57.744 -0.265 19179 7084 1 17 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.923 -1.679 19179 7085 1 17 . 1 1 70 70 LEU H H 70 7.184 7.184 8.259 -1.075 19179 7086 1 17 . 1 1 71 71 VAL N N 71 118.625 118.625 115.824 2.801 19179 7087 1 17 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.603 -0.533 19179 7088 1 17 . 1 1 71 71 VAL C C 71 177.049 177.049 177.776 -0.727 19179 7089 1 17 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.781 1.107 19179 7090 1 17 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.832 0.563 19179 7091 1 17 . 1 1 71 71 VAL H H 71 8.262 8.262 8.385 -0.123 19179 7092 1 17 . 1 1 72 72 LYS N N 72 116.770 116.770 119.830 -3.060 19179 7093 1 17 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.014 -0.177 19179 7094 1 17 . 1 1 72 72 LYS C C 72 179.439 179.439 178.772 0.667 19179 7095 1 17 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.222 0.732 19179 7096 1 17 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.954 0.665 19179 7097 1 17 . 1 1 72 72 LYS H H 72 7.791 7.791 7.897 -0.106 19179 7098 1 17 . 1 1 73 73 LYS N N 73 121.221 121.221 118.918 2.303 19179 7099 1 17 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.110 0.106 19179 7100 1 17 . 1 1 73 73 LYS C C 73 177.539 177.539 178.977 -1.438 19179 7101 1 17 . 1 1 73 73 LYS CA C 73 57.324 57.324 59.190 -1.866 19179 7102 1 17 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.422 -0.516 19179 7103 1 17 . 1 1 73 73 LYS H H 73 7.796 7.796 7.488 0.308 19179 7104 1 17 . 1 1 74 74 VAL N N 74 119.691 119.691 121.836 -2.145 19179 7105 1 17 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.729 -0.314 19179 7106 1 17 . 1 1 74 74 VAL C C 74 177.638 177.638 177.780 -0.142 19179 7107 1 17 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.054 -0.191 19179 7108 1 17 . 1 1 74 74 VAL H H 74 8.445 8.445 8.392 0.053 19179 7109 1 17 . 1 1 75 75 VAL N N 75 120.095 120.095 120.279 -0.184 19179 7110 1 17 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.816 -0.464 19179 7111 1 17 . 1 1 75 75 VAL C C 75 177.621 177.621 177.551 0.070 19179 7112 1 17 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.741 2.018 19179 7113 1 17 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.670 -2.514 19179 7114 1 17 . 1 1 75 75 VAL H H 75 8.521 8.521 8.708 -0.187 19179 7115 1 17 . 1 1 76 76 ALA N N 76 120.276 120.276 122.665 -2.389 19179 7116 1 17 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.026 0.165 19179 7117 1 17 . 1 1 76 76 ALA C C 76 181.968 181.968 179.491 2.477 19179 7118 1 17 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.325 0.156 19179 7119 1 17 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.277 0.118 19179 7120 1 17 . 1 1 76 76 ALA H H 76 7.839 7.839 7.780 0.059 19179 7121 1 17 . 1 1 77 77 VAL N N 77 114.746 114.746 119.030 -4.284 19179 7122 1 17 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.586 0.432 19179 7123 1 17 . 1 1 77 77 VAL C C 77 178.133 178.133 177.708 0.425 19179 7124 1 17 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.815 -1.285 19179 7125 1 17 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.851 -0.908 19179 7126 1 17 . 1 1 77 77 VAL H H 77 8.662 8.662 7.877 0.785 19179 7127 1 17 . 1 1 78 78 CYS N N 78 119.096 119.096 117.675 1.421 19179 7128 1 17 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.957 0.034 19179 7129 1 17 . 1 1 78 78 CYS C C 78 177.621 177.621 176.784 0.837 19179 7130 1 17 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.826 1.950 19179 7131 1 17 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.533 -0.193 19179 7132 1 17 . 1 1 78 78 CYS H H 78 7.740 7.740 8.395 -0.655 19179 7133 1 17 . 1 1 79 79 GLU N N 79 118.797 118.797 120.047 -1.250 19179 7134 1 17 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.123 -0.087 19179 7135 1 17 . 1 1 79 79 GLU C C 79 179.135 179.135 177.456 1.679 19179 7136 1 17 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.133 0.767 19179 7137 1 17 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.542 0.168 19179 7138 1 17 . 1 1 79 79 GLU H H 79 8.106 8.106 8.236 -0.130 19179 7139 1 17 . 1 1 80 80 GLU N N 80 119.483 119.483 118.020 1.463 19179 7140 1 17 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.166 -0.545 19179 7141 1 17 . 1 1 80 80 GLU C C 80 177.433 177.433 178.243 -0.810 19179 7142 1 17 . 1 1 80 80 GLU CA C 80 58.711 58.711 57.840 0.871 19179 7143 1 17 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.772 0.886 19179 7144 1 17 . 1 1 80 80 GLU H H 80 8.167 8.167 7.940 0.227 19179 7145 1 17 . 1 1 81 81 LEU N N 81 117.475 117.475 117.962 -0.487 19179 7146 1 17 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.299 0.353 19179 7147 1 17 . 1 1 81 81 LEU C C 81 177.355 177.355 176.726 0.629 19179 7148 1 17 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.614 -0.205 19179 7149 1 17 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.753 -1.300 19179 7150 1 17 . 1 1 81 81 LEU H H 81 8.145 8.145 7.616 0.529 19179 7151 1 17 . 1 1 82 82 GLY N N 82 127.998 127.998 106.921 21.077 19179 7152 1 17 . 1 1 82 82 GLY C C 82 175.024 175.024 173.723 1.301 19179 7153 1 17 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.622 2.017 19179 7154 1 17 . 1 1 82 82 GLY H H 82 7.218 7.218 7.409 -0.191 19179 7155 1 17 . 1 1 83 83 ALA N N 83 126.068 126.068 121.235 4.833 19179 7156 1 17 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.622 -0.121 19179 7157 1 17 . 1 1 83 83 ALA C C 83 177.567 177.567 175.698 1.869 19179 7158 1 17 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.404 0.700 19179 7159 1 17 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.849 -1.275 19179 7160 1 17 . 1 1 83 83 ALA H H 83 8.202 8.202 7.439 0.763 19179 7161 1 17 . 1 1 84 84 GLU N N 84 118.661 118.661 122.135 -3.474 19179 7162 1 17 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.832 -0.580 19179 7163 1 17 . 1 1 84 84 GLU C C 84 175.915 175.915 175.294 0.621 19179 7164 1 17 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.792 2.879 19179 7165 1 17 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.770 -1.104 19179 7166 1 17 . 1 1 84 84 GLU H H 84 9.004 9.004 9.081 -0.077 19179 7167 1 17 . 1 1 85 85 GLU N N 85 111.162 111.162 116.168 -5.006 19179 7168 1 17 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.355 -0.474 19179 7169 1 17 . 1 1 85 85 GLU C C 85 173.815 173.815 174.874 -1.059 19179 7170 1 17 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.062 -2.405 19179 7171 1 17 . 1 1 85 85 GLU CB C 85 32.364 32.364 30.228 2.136 19179 7172 1 17 . 1 1 85 85 GLU H H 85 7.318 7.318 8.118 -0.800 19179 7173 1 17 . 1 1 86 86 CYS N N 86 122.106 122.106 119.903 2.203 19179 7174 1 17 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.953 -0.875 19179 7175 1 17 . 1 1 86 86 CYS C C 86 177.088 177.088 174.895 2.193 19179 7176 1 17 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.670 1.800 19179 7177 1 17 . 1 1 86 86 CYS CB C 86 29.441 29.441 27.857 1.584 19179 7178 1 17 . 1 1 86 86 CYS H H 86 8.035 8.035 8.462 -0.427 19179 7179 1 17 . 1 1 87 87 PHE N N 87 129.406 129.406 124.008 5.398 19179 7180 1 17 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.497 -0.005 19179 7181 1 17 . 1 1 87 87 PHE C C 87 176.921 176.921 176.358 0.563 19179 7182 1 17 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.274 0.323 19179 7183 1 17 . 1 1 87 87 PHE CB C 87 38.939 38.939 40.351 -1.412 19179 7184 1 17 . 1 1 87 87 PHE H H 87 8.292 8.292 8.948 -0.656 19179 7185 1 17 . 1 1 88 88 SER N N 88 118.356 118.356 115.522 2.834 19179 7186 1 17 . 1 1 88 88 SER HA H 88 4.131 4.131 4.217 -0.086 19179 7187 1 17 . 1 1 88 88 SER C C 88 174.940 174.940 176.136 -1.196 19179 7188 1 17 . 1 1 88 88 SER CA C 88 60.832 60.832 60.765 0.067 19179 7189 1 17 . 1 1 88 88 SER CB C 88 62.143 62.143 61.803 0.340 19179 7190 1 17 . 1 1 88 88 SER H H 88 8.436 8.436 8.296 0.140 19179 7191 1 17 . 1 1 89 89 CYS N N 89 125.476 125.476 118.587 6.889 19179 7192 1 17 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.445 -0.332 19179 7193 1 17 . 1 1 89 89 CYS C C 89 174.660 174.660 175.903 -1.243 19179 7194 1 17 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.085 2.678 19179 7195 1 17 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.467 3.968 19179 7196 1 17 . 1 1 89 89 CYS H H 89 7.699 7.699 8.341 -0.642 19179 7197 1 17 . 1 1 90 90 ASP N N 90 119.756 119.756 117.564 2.192 19179 7198 1 17 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.620 -0.103 19179 7199 1 17 . 1 1 90 90 ASP C C 90 175.429 175.429 174.895 0.534 19179 7200 1 17 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.392 0.650 19179 7201 1 17 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.883 0.124 19179 7202 1 17 . 1 1 90 90 ASP H H 90 7.569 7.569 7.750 -0.181 19179 7203 1 17 . 1 1 91 91 PHE N N 91 120.531 120.531 121.181 -0.650 19179 7204 1 17 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.401 0.228 19179 7205 1 17 . 1 1 91 91 PHE C C 91 174.893 174.893 174.145 0.748 19179 7206 1 17 . 1 1 91 91 PHE CA C 91 57.260 57.260 59.495 -2.235 19179 7207 1 17 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.009 -0.464 19179 7208 1 17 . 1 1 91 91 PHE H H 91 7.910 7.910 7.235 0.675 19179 7209 1 18 . 1 1 17 17 GLU C C 17 178.498 178.498 176.714 1.784 19179 7210 1 18 . 1 1 18 18 ALA N N 18 117.689 117.689 125.367 -7.678 19179 7211 1 18 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.638 -0.264 19179 7212 1 18 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.546 -0.121 19179 7213 1 18 . 1 1 18 18 ALA H H 18 8.085 8.085 8.761 -0.676 19179 7214 1 18 . 1 1 19 19 VAL C C 19 177.450 177.450 177.009 0.441 19179 7215 1 18 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.698 0.114 19179 7216 1 18 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.686 -0.417 19179 7217 1 18 . 1 1 20 20 TYR N N 20 116.865 116.865 117.569 -0.704 19179 7218 1 18 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.194 -0.069 19179 7219 1 18 . 1 1 20 20 TYR C C 20 179.914 179.914 178.660 1.254 19179 7220 1 18 . 1 1 20 20 TYR CA C 20 62.330 62.330 59.880 2.450 19179 7221 1 18 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.353 -0.171 19179 7222 1 18 . 1 1 20 20 TYR H H 20 8.138 8.138 8.332 -0.194 19179 7223 1 18 . 1 1 21 21 ILE N N 21 122.973 122.973 121.245 1.728 19179 7224 1 18 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.924 -0.266 19179 7225 1 18 . 1 1 21 21 ILE C C 21 176.306 176.306 177.960 -1.654 19179 7226 1 18 . 1 1 21 21 ILE CA C 21 66.099 66.099 62.932 3.167 19179 7227 1 18 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.174 0.712 19179 7228 1 18 . 1 1 21 21 ILE H H 21 8.112 8.112 8.191 -0.079 19179 7229 1 18 . 1 1 22 22 ALA N N 22 122.302 122.302 122.437 -0.135 19179 7230 1 18 . 1 1 22 22 ALA HA H 22 3.847 3.847 3.652 0.195 19179 7231 1 18 . 1 1 22 22 ALA C C 22 179.987 179.987 180.608 -0.621 19179 7232 1 18 . 1 1 22 22 ALA CA C 22 55.184 55.184 54.923 0.260 19179 7233 1 18 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.381 0.553 19179 7234 1 18 . 1 1 22 22 ALA H H 22 7.839 7.839 7.900 -0.061 19179 7235 1 18 . 1 1 23 23 ILE N N 23 119.408 119.408 115.673 3.735 19179 7236 1 18 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.712 0.658 19179 7237 1 18 . 1 1 23 23 ILE C C 23 180.184 180.184 177.621 2.563 19179 7238 1 18 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.713 -1.008 19179 7239 1 18 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.846 0.496 19179 7240 1 18 . 1 1 23 23 ILE H H 23 8.328 8.328 8.121 0.207 19179 7241 1 18 . 1 1 24 24 GLU N N 24 125.684 125.684 119.898 5.786 19179 7242 1 18 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.024 -0.136 19179 7243 1 18 . 1 1 24 24 GLU C C 24 178.861 178.861 177.886 0.975 19179 7244 1 18 . 1 1 24 24 GLU CA C 24 52.588 52.588 58.428 -5.840 19179 7245 1 18 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.311 -0.225 19179 7246 1 18 . 1 1 24 24 GLU H H 24 8.344 8.344 7.884 0.460 19179 7247 1 18 . 1 1 25 25 ALA N N 25 117.589 117.589 119.846 -2.257 19179 7248 1 18 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.142 0.050 19179 7249 1 18 . 1 1 25 25 ALA C C 25 177.866 177.866 177.749 0.117 19179 7250 1 18 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.194 -0.734 19179 7251 1 18 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.327 0.004 19179 7252 1 18 . 1 1 25 25 ALA H H 25 8.228 8.228 7.758 0.470 19179 7253 1 18 . 1 1 26 26 GLY N N 26 129.923 129.923 102.643 27.280 19179 7254 1 18 . 1 1 26 26 GLY C C 26 173.535 173.535 174.688 -1.153 19179 7255 1 18 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.099 -0.312 19179 7256 1 18 . 1 1 26 26 GLY H H 26 8.189 8.189 7.519 0.670 19179 7257 1 18 . 1 1 27 27 THR N N 27 119.446 119.446 116.445 3.001 19179 7258 1 18 . 1 1 27 27 THR HA H 27 4.445 4.445 4.397 0.048 19179 7259 1 18 . 1 1 27 27 THR C C 27 176.521 176.521 173.715 2.806 19179 7260 1 18 . 1 1 27 27 THR CA C 27 66.568 66.568 64.335 2.233 19179 7261 1 18 . 1 1 27 27 THR CB C 27 51.731 51.731 70.158 -18.427 19179 7262 1 18 . 1 1 27 27 THR H H 27 7.919 7.919 8.016 -0.097 19179 7263 1 18 . 1 1 28 28 LEU N N 28 119.632 119.632 119.782 -0.150 19179 7264 1 18 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.373 0.640 19179 7265 1 18 . 1 1 28 28 LEU C C 28 173.798 173.798 173.887 -0.089 19179 7266 1 18 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.390 -1.390 19179 7267 1 18 . 1 1 28 28 LEU CB C 28 46.821 46.821 45.078 1.743 19179 7268 1 18 . 1 1 28 28 LEU H H 28 7.026 7.026 7.432 -0.406 19179 7269 1 18 . 1 1 29 29 ALA N N 29 121.053 121.053 120.820 0.233 19179 7270 1 18 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.501 -0.109 19179 7271 1 18 . 1 1 29 29 ALA C C 29 173.471 173.471 173.750 -0.279 19179 7272 1 18 . 1 1 29 29 ALA CA C 29 50.683 50.683 51.014 -0.331 19179 7273 1 18 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.008 1.962 19179 7274 1 18 . 1 1 29 29 ALA H H 29 8.856 8.856 7.795 1.061 19179 7275 1 18 . 1 1 30 30 GLU N N 30 119.234 119.234 118.777 0.457 19179 7276 1 18 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.642 0.157 19179 7277 1 18 . 1 1 30 30 GLU C C 30 176.292 176.292 175.279 1.013 19179 7278 1 18 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.358 -0.896 19179 7279 1 18 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.641 1.494 19179 7280 1 18 . 1 1 30 30 GLU H H 30 8.244 8.244 7.903 0.341 19179 7281 1 18 . 1 1 31 31 CYS N N 31 129.774 129.774 122.191 7.583 19179 7282 1 18 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.367 -0.055 19179 7283 1 18 . 1 1 31 31 CYS C C 31 175.519 175.519 175.611 -0.092 19179 7284 1 18 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.295 1.248 19179 7285 1 18 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.732 0.856 19179 7286 1 18 . 1 1 31 31 CYS H H 31 8.586 8.586 8.892 -0.306 19179 7287 1 18 . 1 1 32 32 GLU N N 32 126.867 126.867 124.923 1.944 19179 7288 1 18 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.313 -0.224 19179 7289 1 18 . 1 1 32 32 GLU C C 32 177.061 177.061 176.508 0.553 19179 7290 1 18 . 1 1 32 32 GLU CA C 32 58.728 58.728 57.773 0.955 19179 7291 1 18 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.613 0.820 19179 7292 1 18 . 1 1 32 32 GLU H H 32 8.756 8.756 8.769 -0.013 19179 7293 1 18 . 1 1 33 33 VAL N N 33 122.528 122.528 116.369 6.159 19179 7294 1 18 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.186 -0.368 19179 7295 1 18 . 1 1 33 33 VAL C C 33 176.434 176.434 174.198 2.236 19179 7296 1 18 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.325 1.808 19179 7297 1 18 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.383 1.361 19179 7298 1 18 . 1 1 33 33 VAL H H 33 8.935 8.935 8.049 0.886 19179 7299 1 18 . 1 1 34 34 HIS N N 34 126.015 126.015 119.983 6.032 19179 7300 1 18 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.795 -0.220 19179 7301 1 18 . 1 1 34 34 HIS C C 34 173.077 173.077 174.271 -1.194 19179 7302 1 18 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.212 3.423 19179 7303 1 18 . 1 1 34 34 HIS CB C 34 28.789 28.789 28.770 0.019 19179 7304 1 18 . 1 1 34 34 HIS H H 34 8.834 8.834 8.002 0.832 19179 7305 1 18 . 1 1 35 35 GLU N N 35 122.059 122.059 125.903 -3.844 19179 7306 1 18 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.155 -0.058 19179 7307 1 18 . 1 1 35 35 GLU C C 35 178.839 178.839 176.721 2.118 19179 7308 1 18 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.223 0.845 19179 7309 1 18 . 1 1 35 35 GLU CB C 35 29.733 29.733 28.886 0.847 19179 7310 1 18 . 1 1 35 35 GLU H H 35 7.643 7.643 8.805 -1.162 19179 7311 1 18 . 1 1 36 36 GLY N N 36 114.969 114.969 114.366 0.603 19179 7312 1 18 . 1 1 36 36 GLY C C 36 173.165 173.165 174.321 -1.156 19179 7313 1 18 . 1 1 36 36 GLY CA C 36 44.986 44.986 44.970 0.016 19179 7314 1 18 . 1 1 36 36 GLY H H 36 10.615 10.615 9.003 1.612 19179 7315 1 18 . 1 1 37 37 THR N N 37 116.476 116.476 119.755 -3.279 19179 7316 1 18 . 1 1 37 37 THR HA H 37 4.466 4.466 4.519 -0.053 19179 7317 1 18 . 1 1 37 37 THR C C 37 172.121 172.121 172.992 -0.871 19179 7318 1 18 . 1 1 37 37 THR CA C 37 62.490 62.490 63.215 -0.725 19179 7319 1 18 . 1 1 37 37 THR CB C 37 68.752 68.752 69.692 -0.939 19179 7320 1 18 . 1 1 37 37 THR H H 37 7.669 7.669 7.638 0.031 19179 7321 1 18 . 1 1 38 38 TYR N N 38 124.951 124.951 123.447 1.504 19179 7322 1 18 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.721 0.914 19179 7323 1 18 . 1 1 38 38 TYR C C 38 174.538 174.538 173.893 0.645 19179 7324 1 18 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.595 -1.594 19179 7325 1 18 . 1 1 38 38 TYR CB C 38 42.611 42.611 42.988 -0.377 19179 7326 1 18 . 1 1 38 38 TYR H H 38 8.622 8.622 8.579 0.043 19179 7327 1 18 . 1 1 39 39 PHE N N 39 115.194 115.194 114.401 0.793 19179 7328 1 18 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.995 0.089 19179 7329 1 18 . 1 1 39 39 PHE C C 39 173.379 173.379 172.721 0.658 19179 7330 1 18 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.973 -2.035 19179 7331 1 18 . 1 1 39 39 PHE CB C 39 39.220 39.220 39.898 -0.678 19179 7332 1 18 . 1 1 39 39 PHE H H 39 8.483 8.483 8.909 -0.426 19179 7333 1 18 . 1 1 40 40 SER N N 40 114.429 114.429 119.899 -5.470 19179 7334 1 18 . 1 1 40 40 SER HA H 40 4.341 4.341 4.451 -0.110 19179 7335 1 18 . 1 1 40 40 SER C C 40 173.355 173.355 174.332 -0.977 19179 7336 1 18 . 1 1 40 40 SER CA C 40 60.726 60.726 57.302 3.424 19179 7337 1 18 . 1 1 40 40 SER CB C 40 63.544 63.544 64.536 -0.992 19179 7338 1 18 . 1 1 40 40 SER H H 40 9.519 9.519 8.430 1.089 19179 7339 1 18 . 1 1 41 41 ASP N N 41 125.551 125.551 125.680 -0.129 19179 7340 1 18 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.465 0.448 19179 7341 1 18 . 1 1 41 41 ASP C C 41 176.230 176.230 175.833 0.397 19179 7342 1 18 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.580 -1.841 19179 7343 1 18 . 1 1 41 41 ASP CB C 41 39.725 39.725 41.274 -1.549 19179 7344 1 18 . 1 1 41 41 ASP H H 41 8.431 8.431 8.480 -0.049 19179 7345 1 18 . 1 1 42 42 SER N N 42 114.674 114.674 120.628 -5.954 19179 7346 1 18 . 1 1 42 42 SER HA H 42 4.370 4.370 4.554 -0.184 19179 7347 1 18 . 1 1 42 42 SER C C 42 177.229 177.229 175.681 1.548 19179 7348 1 18 . 1 1 42 42 SER CA C 42 59.770 59.770 60.130 -0.360 19179 7349 1 18 . 1 1 42 42 SER CB C 42 62.951 62.951 63.607 -0.656 19179 7350 1 18 . 1 1 42 42 SER H H 42 9.001 9.001 8.535 0.466 19179 7351 1 18 . 1 1 43 43 GLY N N 43 130.573 130.573 114.235 16.338 19179 7352 1 18 . 1 1 43 43 GLY C C 43 172.823 172.823 173.847 -1.024 19179 7353 1 18 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.920 0.909 19179 7354 1 18 . 1 1 43 43 GLY H H 43 8.261 8.261 8.889 -0.628 19179 7355 1 18 . 1 1 44 44 ASP N N 44 120.029 120.029 121.551 -1.522 19179 7356 1 18 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.941 -0.200 19179 7357 1 18 . 1 1 44 44 ASP C C 44 176.327 176.327 175.829 0.498 19179 7358 1 18 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.361 -0.052 19179 7359 1 18 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.604 -1.537 19179 7360 1 18 . 1 1 44 44 ASP H H 44 8.583 8.583 7.800 0.783 19179 7361 1 18 . 1 1 45 45 ILE N N 45 129.584 129.584 122.112 7.472 19179 7362 1 18 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.934 -0.243 19179 7363 1 18 . 1 1 45 45 ILE C C 45 177.352 177.352 177.989 -0.637 19179 7364 1 18 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.044 1.923 19179 7365 1 18 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.224 -0.411 19179 7366 1 18 . 1 1 45 45 ILE H H 45 8.589 8.589 8.357 0.232 19179 7367 1 18 . 1 1 46 46 SER N N 46 117.808 117.808 115.377 2.431 19179 7368 1 18 . 1 1 46 46 SER HA H 46 4.338 4.338 4.205 0.133 19179 7369 1 18 . 1 1 46 46 SER C C 46 177.116 177.116 175.480 1.636 19179 7370 1 18 . 1 1 46 46 SER CA C 46 61.744 61.744 61.520 0.224 19179 7371 1 18 . 1 1 46 46 SER CB C 46 62.502 62.502 62.739 -0.237 19179 7372 1 18 . 1 1 46 46 SER H H 46 8.275 8.275 8.496 -0.221 19179 7373 1 18 . 1 1 47 47 GLU N N 47 121.839 121.839 122.453 -0.614 19179 7374 1 18 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.012 0.030 19179 7375 1 18 . 1 1 47 47 GLU C C 47 178.981 178.981 177.698 1.283 19179 7376 1 18 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.138 0.280 19179 7377 1 18 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.342 -0.084 19179 7378 1 18 . 1 1 47 47 GLU H H 47 7.372 7.372 7.947 -0.575 19179 7379 1 18 . 1 1 48 48 ALA N N 48 122.935 122.935 121.608 1.327 19179 7380 1 18 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.056 -0.195 19179 7381 1 18 . 1 1 48 48 ALA C C 48 178.641 178.641 179.326 -0.685 19179 7382 1 18 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.083 0.242 19179 7383 1 18 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.457 -1.065 19179 7384 1 18 . 1 1 48 48 ALA H H 48 6.925 6.925 7.521 -0.596 19179 7385 1 18 . 1 1 49 49 GLU N N 49 118.249 118.249 118.615 -0.366 19179 7386 1 18 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.004 -0.391 19179 7387 1 18 . 1 1 49 49 GLU C C 49 177.879 177.879 178.581 -0.702 19179 7388 1 18 . 1 1 49 49 GLU CA C 49 60.322 60.322 58.915 1.407 19179 7389 1 18 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.730 0.138 19179 7390 1 18 . 1 1 49 49 GLU H H 49 8.288 8.288 7.912 0.376 19179 7391 1 18 . 1 1 50 50 GLU N N 50 117.450 117.450 121.555 -4.105 19179 7392 1 18 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.069 -0.147 19179 7393 1 18 . 1 1 50 50 GLU C C 50 179.532 179.532 179.063 0.469 19179 7394 1 18 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.463 0.290 19179 7395 1 18 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.682 -0.654 19179 7396 1 18 . 1 1 50 50 GLU H H 50 8.108 8.108 8.051 0.057 19179 7397 1 18 . 1 1 51 51 LEU N N 51 120.169 120.169 119.022 1.147 19179 7398 1 18 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.040 0.267 19179 7399 1 18 . 1 1 51 51 LEU C C 51 178.285 178.285 178.935 -0.650 19179 7400 1 18 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.521 -0.083 19179 7401 1 18 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.473 -0.707 19179 7402 1 18 . 1 1 51 51 LEU H H 51 7.835 7.835 8.283 -0.448 19179 7403 1 18 . 1 1 52 52 ALA N N 52 121.167 121.167 123.934 -2.767 19179 7404 1 18 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.043 -0.248 19179 7405 1 18 . 1 1 52 52 ALA C C 52 178.611 178.611 179.282 -0.671 19179 7406 1 18 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.150 0.497 19179 7407 1 18 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.345 -0.169 19179 7408 1 18 . 1 1 52 52 ALA H H 52 8.286 8.286 8.131 0.155 19179 7409 1 18 . 1 1 53 53 ARG N N 53 115.092 115.092 119.059 -3.967 19179 7410 1 18 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.073 -0.346 19179 7411 1 18 . 1 1 53 53 ARG C C 53 179.136 179.136 178.426 0.710 19179 7412 1 18 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.452 1.156 19179 7413 1 18 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.829 -0.309 19179 7414 1 18 . 1 1 53 53 ARG H H 53 7.957 7.957 8.702 -0.745 19179 7415 1 18 . 1 1 54 54 GLU N N 54 122.263 122.263 120.671 1.592 19179 7416 1 18 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.302 -0.238 19179 7417 1 18 . 1 1 54 54 GLU C C 54 179.159 179.159 179.000 0.159 19179 7418 1 18 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.253 0.165 19179 7419 1 18 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.610 0.278 19179 7420 1 18 . 1 1 54 54 GLU H H 54 8.089 8.089 8.331 -0.242 19179 7421 1 18 . 1 1 55 55 LYS N N 55 118.511 118.511 118.910 -0.399 19179 7422 1 18 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.022 -0.212 19179 7423 1 18 . 1 1 55 55 LYS C C 55 179.078 179.078 179.910 -0.832 19179 7424 1 18 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.750 1.060 19179 7425 1 18 . 1 1 55 55 LYS CB C 55 32.743 32.743 31.997 0.746 19179 7426 1 18 . 1 1 55 55 LYS H H 55 9.118 9.118 8.253 0.865 19179 7427 1 18 . 1 1 56 56 PHE N N 56 119.918 119.918 119.317 0.601 19179 7428 1 18 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.373 -0.511 19179 7429 1 18 . 1 1 56 56 PHE H H 56 8.456 8.456 8.782 -0.326 19179 7430 1 18 . 1 1 57 57 GLU N N 57 121.819 121.819 119.299 2.520 19179 7431 1 18 . 1 1 57 57 GLU HA H 57 4.128 4.128 4.274 -0.146 19179 7432 1 18 . 1 1 57 57 GLU C C 57 177.889 177.889 177.770 0.119 19179 7433 1 18 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.770 0.468 19179 7434 1 18 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.519 -0.036 19179 7435 1 18 . 1 1 57 57 GLU H H 57 8.153 8.153 8.456 -0.303 19179 7436 1 18 . 1 1 58 58 LYS N N 58 115.784 115.784 118.480 -2.696 19179 7437 1 18 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.323 -0.056 19179 7438 1 18 . 1 1 58 58 LYS C C 58 176.710 176.710 175.948 0.762 19179 7439 1 18 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.030 0.712 19179 7440 1 18 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.703 0.325 19179 7441 1 18 . 1 1 58 58 LYS H H 58 7.684 7.684 7.754 -0.070 19179 7442 1 18 . 1 1 59 59 GLY N N 59 130.075 130.075 108.949 21.126 19179 7443 1 18 . 1 1 59 59 GLY C C 59 175.969 175.969 172.636 3.333 19179 7444 1 18 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.401 0.929 19179 7445 1 18 . 1 1 59 59 GLY H H 59 7.644 7.644 7.501 0.143 19179 7446 1 18 . 1 1 60 60 GLU N N 60 117.714 117.714 124.250 -6.536 19179 7447 1 18 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.413 -0.074 19179 7448 1 18 . 1 1 60 60 GLU C C 60 175.359 175.359 176.057 -0.698 19179 7449 1 18 . 1 1 60 60 GLU CA C 60 55.533 55.533 57.213 -1.680 19179 7450 1 18 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.089 0.267 19179 7451 1 18 . 1 1 60 60 GLU H H 60 8.008 8.008 8.372 -0.364 19179 7452 1 18 . 1 1 61 61 VAL N N 61 120.144 120.144 123.468 -3.324 19179 7453 1 18 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.330 0.192 19179 7454 1 18 . 1 1 61 61 VAL C C 61 176.175 176.175 175.591 0.584 19179 7455 1 18 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.753 -0.486 19179 7456 1 18 . 1 1 61 61 VAL CB C 61 33.686 33.686 33.158 0.527 19179 7457 1 18 . 1 1 61 61 VAL H H 61 7.745 7.745 8.329 -0.584 19179 7458 1 18 . 1 1 62 62 SER N N 62 126.283 126.283 114.734 11.549 19179 7459 1 18 . 1 1 62 62 SER HA H 62 4.644 4.644 4.517 0.127 19179 7460 1 18 . 1 1 62 62 SER C C 62 176.781 176.781 174.652 2.129 19179 7461 1 18 . 1 1 62 62 SER CA C 62 60.796 60.796 60.142 0.654 19179 7462 1 18 . 1 1 62 62 SER CB C 62 65.061 65.061 63.841 1.220 19179 7463 1 18 . 1 1 62 62 SER H H 62 11.396 11.396 8.549 2.847 19179 7464 1 18 . 1 1 63 63 ASN N N 63 118.526 118.526 117.531 0.995 19179 7465 1 18 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.707 0.025 19179 7466 1 18 . 1 1 63 63 ASN C C 63 172.632 172.632 174.589 -1.957 19179 7467 1 18 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.584 2.002 19179 7468 1 18 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.135 1.637 19179 7469 1 18 . 1 1 63 63 ASN H H 63 10.333 10.333 8.099 2.234 19179 7470 1 18 . 1 1 64 64 PHE N N 64 112.992 112.992 121.943 -8.951 19179 7471 1 18 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.193 0.673 19179 7472 1 18 . 1 1 64 64 PHE C C 64 174.310 174.310 175.506 -1.196 19179 7473 1 18 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.752 -2.126 19179 7474 1 18 . 1 1 64 64 PHE CB C 64 42.883 42.883 38.861 4.022 19179 7475 1 18 . 1 1 64 64 PHE H H 64 6.971 6.971 7.660 -0.689 19179 7476 1 18 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.581 0.307 19179 7477 1 18 . 1 1 65 65 ASP C C 65 175.049 175.049 175.451 -0.402 19179 7478 1 18 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.863 -1.216 19179 7479 1 18 . 1 1 65 65 ASP CB C 65 41.367 41.367 42.060 -0.693 19179 7480 1 18 . 1 1 66 66 ASP N N 66 119.568 119.568 114.908 4.660 19179 7481 1 18 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.753 0.108 19179 7482 1 18 . 1 1 66 66 ASP C C 66 175.858 175.858 176.835 -0.977 19179 7483 1 18 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.178 -0.515 19179 7484 1 18 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.631 1.630 19179 7485 1 18 . 1 1 66 66 ASP H H 66 7.413 7.413 7.465 -0.052 19179 7486 1 18 . 1 1 67 67 VAL N N 67 127.826 127.826 124.607 3.219 19179 7487 1 18 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.620 -0.638 19179 7488 1 18 . 1 1 67 67 VAL C C 67 175.173 175.173 177.677 -2.504 19179 7489 1 18 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.255 -2.044 19179 7490 1 18 . 1 1 67 67 VAL CB C 67 30.848 30.848 31.716 -0.868 19179 7491 1 18 . 1 1 67 67 VAL H H 67 8.298 8.298 8.371 -0.073 19179 7492 1 18 . 1 1 68 68 GLU N N 68 120.580 120.580 119.880 0.700 19179 7493 1 18 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.003 0.046 19179 7494 1 18 . 1 1 68 68 GLU C C 68 180.052 180.052 178.684 1.368 19179 7495 1 18 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.771 -1.913 19179 7496 1 18 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.419 -2.015 19179 7497 1 18 . 1 1 68 68 GLU H H 68 7.909 7.909 8.648 -0.739 19179 7498 1 18 . 1 1 69 69 GLU N N 69 121.347 121.347 119.470 1.877 19179 7499 1 18 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.099 -0.167 19179 7500 1 18 . 1 1 69 69 GLU C C 69 179.095 179.095 178.523 0.572 19179 7501 1 18 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.936 0.051 19179 7502 1 18 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.199 0.321 19179 7503 1 18 . 1 1 69 69 GLU H H 69 7.669 7.669 8.167 -0.498 19179 7504 1 18 . 1 1 70 70 LEU N N 70 120.330 120.330 120.386 -0.056 19179 7505 1 18 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.952 -1.007 19179 7506 1 18 . 1 1 70 70 LEU C C 70 177.014 177.014 179.246 -2.232 19179 7507 1 18 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.502 -1.023 19179 7508 1 18 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.329 -1.085 19179 7509 1 18 . 1 1 70 70 LEU H H 70 7.184 7.184 8.268 -1.084 19179 7510 1 18 . 1 1 71 71 VAL N N 71 118.625 118.625 114.789 3.836 19179 7511 1 18 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.703 -0.633 19179 7512 1 18 . 1 1 71 71 VAL C C 71 177.049 177.049 177.991 -0.942 19179 7513 1 18 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.066 1.822 19179 7514 1 18 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.314 1.081 19179 7515 1 18 . 1 1 71 71 VAL H H 71 8.262 8.262 8.669 -0.407 19179 7516 1 18 . 1 1 72 72 LYS N N 72 116.770 116.770 120.362 -3.592 19179 7517 1 18 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.087 -0.250 19179 7518 1 18 . 1 1 72 72 LYS C C 72 179.439 179.439 179.050 0.389 19179 7519 1 18 . 1 1 72 72 LYS CA C 72 59.954 59.954 58.643 1.311 19179 7520 1 18 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.810 0.809 19179 7521 1 18 . 1 1 72 72 LYS H H 72 7.791 7.791 7.856 -0.065 19179 7522 1 18 . 1 1 73 73 LYS N N 73 121.221 121.221 119.293 1.928 19179 7523 1 18 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.148 0.068 19179 7524 1 18 . 1 1 73 73 LYS C C 73 177.539 177.539 179.169 -1.630 19179 7525 1 18 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.534 -1.210 19179 7526 1 18 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.133 -0.227 19179 7527 1 18 . 1 1 73 73 LYS H H 73 7.796 7.796 8.143 -0.347 19179 7528 1 18 . 1 1 74 74 VAL N N 74 119.691 119.691 120.597 -0.906 19179 7529 1 18 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.709 -0.294 19179 7530 1 18 . 1 1 74 74 VAL C C 74 177.638 177.638 177.792 -0.154 19179 7531 1 18 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.025 -0.162 19179 7532 1 18 . 1 1 74 74 VAL H H 74 8.445 8.445 8.081 0.364 19179 7533 1 18 . 1 1 75 75 VAL N N 75 120.095 120.095 117.325 2.770 19179 7534 1 18 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.720 -0.368 19179 7535 1 18 . 1 1 75 75 VAL C C 75 177.621 177.621 177.542 0.079 19179 7536 1 18 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.996 1.764 19179 7537 1 18 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.217 -2.061 19179 7538 1 18 . 1 1 75 75 VAL H H 75 8.521 8.521 8.274 0.247 19179 7539 1 18 . 1 1 76 76 ALA N N 76 120.276 120.276 123.168 -2.892 19179 7540 1 18 . 1 1 76 76 ALA HA H 76 4.191 4.191 3.994 0.197 19179 7541 1 18 . 1 1 76 76 ALA C C 76 181.968 181.968 179.395 2.573 19179 7542 1 18 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.342 0.139 19179 7543 1 18 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.249 0.146 19179 7544 1 18 . 1 1 76 76 ALA H H 76 7.839 7.839 7.825 0.014 19179 7545 1 18 . 1 1 77 77 VAL N N 77 114.746 114.746 119.215 -4.469 19179 7546 1 18 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.813 0.205 19179 7547 1 18 . 1 1 77 77 VAL C C 77 178.133 178.133 177.585 0.548 19179 7548 1 18 . 1 1 77 77 VAL CA C 77 65.530 65.530 64.889 0.641 19179 7549 1 18 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.199 -0.256 19179 7550 1 18 . 1 1 77 77 VAL H H 77 8.662 8.662 7.903 0.759 19179 7551 1 18 . 1 1 78 78 CYS N N 78 119.096 119.096 118.551 0.545 19179 7552 1 18 . 1 1 78 78 CYS HA H 78 3.991 3.991 4.027 -0.036 19179 7553 1 18 . 1 1 78 78 CYS C C 78 177.621 177.621 176.752 0.869 19179 7554 1 18 . 1 1 78 78 CYS CA C 78 64.776 64.776 62.210 2.566 19179 7555 1 18 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.300 0.040 19179 7556 1 18 . 1 1 78 78 CYS H H 78 7.740 7.740 8.390 -0.650 19179 7557 1 18 . 1 1 79 79 GLU N N 79 118.797 118.797 120.540 -1.743 19179 7558 1 18 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.070 -0.034 19179 7559 1 18 . 1 1 79 79 GLU C C 79 179.135 179.135 178.956 0.179 19179 7560 1 18 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.716 0.184 19179 7561 1 18 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.284 0.426 19179 7562 1 18 . 1 1 79 79 GLU H H 79 8.106 8.106 8.272 -0.166 19179 7563 1 18 . 1 1 80 80 GLU N N 80 119.483 119.483 120.338 -0.855 19179 7564 1 18 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.114 -0.493 19179 7565 1 18 . 1 1 80 80 GLU C C 80 177.433 177.433 177.976 -0.543 19179 7566 1 18 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.444 0.267 19179 7567 1 18 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.713 0.945 19179 7568 1 18 . 1 1 80 80 GLU H H 80 8.167 8.167 8.193 -0.026 19179 7569 1 18 . 1 1 81 81 LEU N N 81 117.475 117.475 118.626 -1.151 19179 7570 1 18 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.297 0.355 19179 7571 1 18 . 1 1 81 81 LEU C C 81 177.355 177.355 176.833 0.522 19179 7572 1 18 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.695 -0.286 19179 7573 1 18 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.858 -1.405 19179 7574 1 18 . 1 1 81 81 LEU H H 81 8.145 8.145 7.573 0.572 19179 7575 1 18 . 1 1 82 82 GLY N N 82 127.998 127.998 107.194 20.804 19179 7576 1 18 . 1 1 82 82 GLY C C 82 175.024 175.024 173.821 1.203 19179 7577 1 18 . 1 1 82 82 GLY CA C 82 47.639 47.639 46.001 1.638 19179 7578 1 18 . 1 1 82 82 GLY H H 82 7.218 7.218 7.624 -0.406 19179 7579 1 18 . 1 1 83 83 ALA N N 83 126.068 126.068 120.798 5.270 19179 7580 1 18 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.592 -0.091 19179 7581 1 18 . 1 1 83 83 ALA C C 83 177.567 177.567 175.401 2.166 19179 7582 1 18 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.411 0.693 19179 7583 1 18 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.820 -1.246 19179 7584 1 18 . 1 1 83 83 ALA H H 83 8.202 8.202 7.477 0.725 19179 7585 1 18 . 1 1 84 84 GLU N N 84 118.661 118.661 123.049 -4.388 19179 7586 1 18 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.781 -0.529 19179 7587 1 18 . 1 1 84 84 GLU C C 84 175.915 175.915 175.379 0.536 19179 7588 1 18 . 1 1 84 84 GLU CA C 84 58.671 58.671 56.374 2.297 19179 7589 1 18 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.638 -0.972 19179 7590 1 18 . 1 1 84 84 GLU H H 84 9.004 9.004 9.048 -0.044 19179 7591 1 18 . 1 1 85 85 GLU N N 85 111.162 111.162 117.107 -5.945 19179 7592 1 18 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.319 -0.438 19179 7593 1 18 . 1 1 85 85 GLU C C 85 173.815 173.815 174.357 -0.542 19179 7594 1 18 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.285 -2.628 19179 7595 1 18 . 1 1 85 85 GLU CB C 85 32.364 32.364 32.690 -0.326 19179 7596 1 18 . 1 1 85 85 GLU H H 85 7.318 7.318 8.128 -0.810 19179 7597 1 18 . 1 1 86 86 CYS N N 86 122.106 122.106 124.242 -2.136 19179 7598 1 18 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.798 -0.720 19179 7599 1 18 . 1 1 86 86 CYS C C 86 177.088 177.088 175.830 1.258 19179 7600 1 18 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.391 2.079 19179 7601 1 18 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.796 4.645 19179 7602 1 18 . 1 1 86 86 CYS H H 86 8.035 8.035 8.660 -0.625 19179 7603 1 18 . 1 1 87 87 PHE N N 87 129.406 129.406 127.452 1.954 19179 7604 1 18 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.187 0.305 19179 7605 1 18 . 1 1 87 87 PHE C C 87 176.921 176.921 176.373 0.548 19179 7606 1 18 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.665 -0.068 19179 7607 1 18 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.208 -0.269 19179 7608 1 18 . 1 1 87 87 PHE H H 87 8.292 8.292 8.516 -0.224 19179 7609 1 18 . 1 1 88 88 SER N N 88 118.356 118.356 115.063 3.293 19179 7610 1 18 . 1 1 88 88 SER HA H 88 4.131 4.131 4.228 -0.097 19179 7611 1 18 . 1 1 88 88 SER C C 88 174.940 174.940 175.911 -0.971 19179 7612 1 18 . 1 1 88 88 SER CA C 88 60.832 60.832 60.572 0.260 19179 7613 1 18 . 1 1 88 88 SER CB C 88 62.143 62.143 62.412 -0.269 19179 7614 1 18 . 1 1 88 88 SER H H 88 8.436 8.436 8.390 0.046 19179 7615 1 18 . 1 1 89 89 CYS N N 89 125.476 125.476 121.575 3.901 19179 7616 1 18 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.488 -0.375 19179 7617 1 18 . 1 1 89 89 CYS C C 89 174.660 174.660 176.120 -1.460 19179 7618 1 18 . 1 1 89 89 CYS CA C 89 63.763 63.763 62.026 1.737 19179 7619 1 18 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.846 3.589 19179 7620 1 18 . 1 1 89 89 CYS H H 89 7.699 7.699 7.936 -0.237 19179 7621 1 18 . 1 1 90 90 ASP N N 90 119.756 119.756 117.800 1.956 19179 7622 1 18 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.582 -0.065 19179 7623 1 18 . 1 1 90 90 ASP C C 90 175.429 175.429 175.652 -0.223 19179 7624 1 18 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.424 -0.382 19179 7625 1 18 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.466 0.541 19179 7626 1 18 . 1 1 90 90 ASP H H 90 7.569 7.569 7.777 -0.208 19179 7627 1 18 . 1 1 91 91 PHE N N 91 120.531 120.531 121.091 -0.560 19179 7628 1 18 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.356 0.273 19179 7629 1 18 . 1 1 91 91 PHE C C 91 174.893 174.893 174.720 0.173 19179 7630 1 18 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.760 -0.500 19179 7631 1 18 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.543 -0.998 19179 7632 1 18 . 1 1 91 91 PHE H H 91 7.910 7.910 7.224 0.686 19179 7633 1 19 . 1 1 17 17 GLU C C 17 178.498 178.498 177.862 0.636 19179 7634 1 19 . 1 1 18 18 ALA N N 18 117.689 117.689 125.157 -7.468 19179 7635 1 19 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.075 0.299 19179 7636 1 19 . 1 1 18 18 ALA CB C 18 18.425 18.425 17.960 0.465 19179 7637 1 19 . 1 1 18 18 ALA H H 18 8.085 8.085 8.049 0.036 19179 7638 1 19 . 1 1 19 19 VAL C C 19 177.450 177.450 177.380 0.070 19179 7639 1 19 . 1 1 19 19 VAL CA C 19 66.812 66.812 65.660 1.152 19179 7640 1 19 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.121 0.148 19179 7641 1 19 . 1 1 20 20 TYR N N 20 116.865 116.865 118.214 -1.349 19179 7642 1 19 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.204 -0.079 19179 7643 1 19 . 1 1 20 20 TYR C C 20 179.914 179.914 178.488 1.426 19179 7644 1 19 . 1 1 20 20 TYR CA C 20 62.330 62.330 61.255 1.075 19179 7645 1 19 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.651 -0.469 19179 7646 1 19 . 1 1 20 20 TYR H H 20 8.138 8.138 8.078 0.060 19179 7647 1 19 . 1 1 21 21 ILE N N 21 122.973 122.973 118.804 4.169 19179 7648 1 19 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.852 -0.194 19179 7649 1 19 . 1 1 21 21 ILE C C 21 176.306 176.306 177.879 -1.573 19179 7650 1 19 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.173 2.926 19179 7651 1 19 . 1 1 21 21 ILE CB C 21 37.886 37.886 36.898 0.988 19179 7652 1 19 . 1 1 21 21 ILE H H 21 8.112 8.112 8.230 -0.118 19179 7653 1 19 . 1 1 22 22 ALA N N 22 122.302 122.302 123.522 -1.220 19179 7654 1 19 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.129 -0.282 19179 7655 1 19 . 1 1 22 22 ALA C C 22 179.987 179.987 179.590 0.397 19179 7656 1 19 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.291 -0.107 19179 7657 1 19 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.385 0.549 19179 7658 1 19 . 1 1 22 22 ALA H H 22 7.839 7.839 8.053 -0.214 19179 7659 1 19 . 1 1 23 23 ILE N N 23 119.408 119.408 118.302 1.106 19179 7660 1 19 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.859 0.511 19179 7661 1 19 . 1 1 23 23 ILE C C 23 180.184 180.184 176.729 3.455 19179 7662 1 19 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.257 -0.552 19179 7663 1 19 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.975 0.367 19179 7664 1 19 . 1 1 23 23 ILE H H 23 8.328 8.328 8.565 -0.237 19179 7665 1 19 . 1 1 24 24 GLU N N 24 125.684 125.684 120.455 5.229 19179 7666 1 19 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.290 -0.402 19179 7667 1 19 . 1 1 24 24 GLU C C 24 178.861 178.861 178.208 0.653 19179 7668 1 19 . 1 1 24 24 GLU CA C 24 52.588 52.588 58.004 -5.416 19179 7669 1 19 . 1 1 24 24 GLU CB C 24 29.086 29.086 28.751 0.335 19179 7670 1 19 . 1 1 24 24 GLU H H 24 8.344 8.344 8.126 0.218 19179 7671 1 19 . 1 1 25 25 ALA N N 25 117.589 117.589 121.478 -3.889 19179 7672 1 19 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.191 0.001 19179 7673 1 19 . 1 1 25 25 ALA C C 25 177.866 177.866 177.915 -0.049 19179 7674 1 19 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.632 -1.172 19179 7675 1 19 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.969 0.362 19179 7676 1 19 . 1 1 25 25 ALA H H 25 8.228 8.228 7.797 0.431 19179 7677 1 19 . 1 1 26 26 GLY N N 26 129.923 129.923 102.022 27.901 19179 7678 1 19 . 1 1 26 26 GLY C C 26 173.535 173.535 174.560 -1.025 19179 7679 1 19 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.954 -0.167 19179 7680 1 19 . 1 1 26 26 GLY H H 26 8.189 8.189 7.535 0.654 19179 7681 1 19 . 1 1 27 27 THR N N 27 119.446 119.446 116.515 2.931 19179 7682 1 19 . 1 1 27 27 THR HA H 27 4.445 4.445 4.335 0.110 19179 7683 1 19 . 1 1 27 27 THR C C 27 176.521 176.521 174.567 1.954 19179 7684 1 19 . 1 1 27 27 THR CA C 27 66.568 66.568 65.820 0.748 19179 7685 1 19 . 1 1 27 27 THR CB C 27 51.731 51.731 70.155 -18.424 19179 7686 1 19 . 1 1 27 27 THR H H 27 7.919 7.919 8.029 -0.110 19179 7687 1 19 . 1 1 28 28 LEU N N 28 119.632 119.632 117.664 1.968 19179 7688 1 19 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.591 0.422 19179 7689 1 19 . 1 1 28 28 LEU C C 28 173.798 173.798 174.103 -0.305 19179 7690 1 19 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.195 -1.195 19179 7691 1 19 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.081 2.740 19179 7692 1 19 . 1 1 28 28 LEU H H 28 7.026 7.026 7.363 -0.337 19179 7693 1 19 . 1 1 29 29 ALA N N 29 121.053 121.053 118.868 2.185 19179 7694 1 19 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.544 -0.152 19179 7695 1 19 . 1 1 29 29 ALA C C 29 173.471 173.471 174.083 -0.612 19179 7696 1 19 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.111 0.572 19179 7697 1 19 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.594 1.376 19179 7698 1 19 . 1 1 29 29 ALA H H 29 8.856 8.856 7.845 1.011 19179 7699 1 19 . 1 1 30 30 GLU N N 30 119.234 119.234 118.208 1.026 19179 7700 1 19 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.477 0.322 19179 7701 1 19 . 1 1 30 30 GLU C C 30 176.292 176.292 174.955 1.337 19179 7702 1 19 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.654 -1.193 19179 7703 1 19 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.035 2.100 19179 7704 1 19 . 1 1 30 30 GLU H H 30 8.244 8.244 8.042 0.202 19179 7705 1 19 . 1 1 31 31 CYS N N 31 129.774 129.774 121.856 7.918 19179 7706 1 19 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.405 -0.093 19179 7707 1 19 . 1 1 31 31 CYS C C 31 175.519 175.519 176.812 -1.293 19179 7708 1 19 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.410 1.134 19179 7709 1 19 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.018 1.570 19179 7710 1 19 . 1 1 31 31 CYS H H 31 8.586 8.586 8.896 -0.310 19179 7711 1 19 . 1 1 32 32 GLU N N 32 126.867 126.867 127.179 -0.312 19179 7712 1 19 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.221 -0.132 19179 7713 1 19 . 1 1 32 32 GLU C C 32 177.061 177.061 176.298 0.763 19179 7714 1 19 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.071 0.657 19179 7715 1 19 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.653 0.780 19179 7716 1 19 . 1 1 32 32 GLU H H 32 8.756 8.756 9.133 -0.377 19179 7717 1 19 . 1 1 33 33 VAL N N 33 122.528 122.528 115.932 6.596 19179 7718 1 19 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.164 -0.346 19179 7719 1 19 . 1 1 33 33 VAL C C 33 176.434 176.434 174.800 1.634 19179 7720 1 19 . 1 1 33 33 VAL CA C 33 64.132 64.132 61.982 2.150 19179 7721 1 19 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.918 0.826 19179 7722 1 19 . 1 1 33 33 VAL H H 33 8.935 8.935 7.848 1.087 19179 7723 1 19 . 1 1 34 34 HIS N N 34 126.015 126.015 120.928 5.087 19179 7724 1 19 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.850 -0.275 19179 7725 1 19 . 1 1 34 34 HIS C C 34 173.077 173.077 173.903 -0.826 19179 7726 1 19 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.687 2.948 19179 7727 1 19 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.235 -0.446 19179 7728 1 19 . 1 1 34 34 HIS H H 34 8.834 8.834 7.545 1.289 19179 7729 1 19 . 1 1 35 35 GLU N N 35 122.059 122.059 125.213 -3.154 19179 7730 1 19 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.233 -0.136 19179 7731 1 19 . 1 1 35 35 GLU C C 35 178.839 178.839 176.933 1.906 19179 7732 1 19 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.203 0.865 19179 7733 1 19 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.485 0.248 19179 7734 1 19 . 1 1 35 35 GLU H H 35 7.643 7.643 8.763 -1.120 19179 7735 1 19 . 1 1 36 36 GLY N N 36 114.969 114.969 113.648 1.321 19179 7736 1 19 . 1 1 36 36 GLY C C 36 173.165 173.165 174.327 -1.162 19179 7737 1 19 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.022 -0.036 19179 7738 1 19 . 1 1 36 36 GLY H H 36 10.615 10.615 8.824 1.791 19179 7739 1 19 . 1 1 37 37 THR N N 37 116.476 116.476 118.057 -1.581 19179 7740 1 19 . 1 1 37 37 THR HA H 37 4.466 4.466 4.608 -0.142 19179 7741 1 19 . 1 1 37 37 THR C C 37 172.121 172.121 173.121 -1.000 19179 7742 1 19 . 1 1 37 37 THR CA C 37 62.490 62.490 62.577 -0.087 19179 7743 1 19 . 1 1 37 37 THR CB C 37 68.752 68.752 69.746 -0.994 19179 7744 1 19 . 1 1 37 37 THR H H 37 7.669 7.669 7.642 0.027 19179 7745 1 19 . 1 1 38 38 TYR N N 38 124.951 124.951 123.507 1.444 19179 7746 1 19 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.691 0.944 19179 7747 1 19 . 1 1 38 38 TYR C C 38 174.538 174.538 173.751 0.787 19179 7748 1 19 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.871 -1.871 19179 7749 1 19 . 1 1 38 38 TYR CB C 38 42.611 42.611 42.941 -0.330 19179 7750 1 19 . 1 1 38 38 TYR H H 38 8.622 8.622 8.613 0.009 19179 7751 1 19 . 1 1 39 39 PHE N N 39 115.194 115.194 115.377 -0.183 19179 7752 1 19 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.004 0.080 19179 7753 1 19 . 1 1 39 39 PHE C C 39 173.379 173.379 172.520 0.859 19179 7754 1 19 . 1 1 39 39 PHE CA C 39 55.938 55.938 58.028 -2.090 19179 7755 1 19 . 1 1 39 39 PHE CB C 39 39.220 39.220 39.941 -0.721 19179 7756 1 19 . 1 1 39 39 PHE H H 39 8.483 8.483 8.877 -0.394 19179 7757 1 19 . 1 1 40 40 SER N N 40 114.429 114.429 118.843 -4.414 19179 7758 1 19 . 1 1 40 40 SER HA H 40 4.341 4.341 4.560 -0.219 19179 7759 1 19 . 1 1 40 40 SER C C 40 173.355 173.355 174.656 -1.301 19179 7760 1 19 . 1 1 40 40 SER CA C 40 60.726 60.726 56.792 3.934 19179 7761 1 19 . 1 1 40 40 SER CB C 40 63.544 63.544 64.967 -1.423 19179 7762 1 19 . 1 1 40 40 SER H H 40 9.519 9.519 8.634 0.885 19179 7763 1 19 . 1 1 41 41 ASP N N 41 125.551 125.551 123.136 2.415 19179 7764 1 19 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.536 0.377 19179 7765 1 19 . 1 1 41 41 ASP C C 41 176.230 176.230 176.161 0.069 19179 7766 1 19 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.512 -1.773 19179 7767 1 19 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.835 -1.110 19179 7768 1 19 . 1 1 41 41 ASP H H 41 8.431 8.431 8.814 -0.383 19179 7769 1 19 . 1 1 42 42 SER N N 42 114.674 114.674 119.486 -4.812 19179 7770 1 19 . 1 1 42 42 SER HA H 42 4.370 4.370 4.441 -0.071 19179 7771 1 19 . 1 1 42 42 SER C C 42 177.229 177.229 175.663 1.566 19179 7772 1 19 . 1 1 42 42 SER CA C 42 59.770 59.770 59.283 0.487 19179 7773 1 19 . 1 1 42 42 SER CB C 42 62.951 62.951 63.629 -0.678 19179 7774 1 19 . 1 1 42 42 SER H H 42 9.001 9.001 8.011 0.990 19179 7775 1 19 . 1 1 43 43 GLY N N 43 130.573 130.573 115.171 15.402 19179 7776 1 19 . 1 1 43 43 GLY C C 43 172.823 172.823 173.822 -0.999 19179 7777 1 19 . 1 1 43 43 GLY CA C 43 45.829 45.829 45.070 0.759 19179 7778 1 19 . 1 1 43 43 GLY H H 43 8.261 8.261 9.130 -0.869 19179 7779 1 19 . 1 1 44 44 ASP N N 44 120.029 120.029 121.667 -1.638 19179 7780 1 19 . 1 1 44 44 ASP HA H 44 4.741 4.741 5.035 -0.294 19179 7781 1 19 . 1 1 44 44 ASP C C 44 176.327 176.327 175.913 0.414 19179 7782 1 19 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.724 -0.415 19179 7783 1 19 . 1 1 44 44 ASP CB C 44 40.067 40.067 42.045 -1.978 19179 7784 1 19 . 1 1 44 44 ASP H H 44 8.583 8.583 7.899 0.684 19179 7785 1 19 . 1 1 45 45 ILE N N 45 129.584 129.584 120.095 9.489 19179 7786 1 19 . 1 1 45 45 ILE HA H 45 3.691 3.691 4.105 -0.414 19179 7787 1 19 . 1 1 45 45 ILE C C 45 177.352 177.352 177.379 -0.027 19179 7788 1 19 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.538 1.429 19179 7789 1 19 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.556 -0.743 19179 7790 1 19 . 1 1 45 45 ILE H H 45 8.589 8.589 8.084 0.505 19179 7791 1 19 . 1 1 46 46 SER N N 46 117.808 117.808 116.108 1.700 19179 7792 1 19 . 1 1 46 46 SER HA H 46 4.338 4.338 4.087 0.251 19179 7793 1 19 . 1 1 46 46 SER C C 46 177.116 177.116 176.654 0.462 19179 7794 1 19 . 1 1 46 46 SER CA C 46 61.744 61.744 61.380 0.364 19179 7795 1 19 . 1 1 46 46 SER CB C 46 62.502 62.502 62.126 0.376 19179 7796 1 19 . 1 1 46 46 SER H H 46 8.275 8.275 8.302 -0.027 19179 7797 1 19 . 1 1 47 47 GLU N N 47 121.839 121.839 123.016 -1.177 19179 7798 1 19 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.083 -0.041 19179 7799 1 19 . 1 1 47 47 GLU C C 47 178.981 178.981 178.278 0.703 19179 7800 1 19 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.164 0.254 19179 7801 1 19 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.430 -0.172 19179 7802 1 19 . 1 1 47 47 GLU H H 47 7.372 7.372 7.971 -0.599 19179 7803 1 19 . 1 1 48 48 ALA N N 48 122.935 122.935 122.451 0.484 19179 7804 1 19 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.032 -0.171 19179 7805 1 19 . 1 1 48 48 ALA C C 48 178.641 178.641 179.810 -1.169 19179 7806 1 19 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.308 0.017 19179 7807 1 19 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.253 -0.861 19179 7808 1 19 . 1 1 48 48 ALA H H 48 6.925 6.925 7.654 -0.729 19179 7809 1 19 . 1 1 49 49 GLU N N 49 118.249 118.249 119.034 -0.785 19179 7810 1 19 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.002 -0.389 19179 7811 1 19 . 1 1 49 49 GLU C C 49 177.879 177.879 179.561 -1.682 19179 7812 1 19 . 1 1 49 49 GLU CA C 49 60.322 60.322 58.828 1.494 19179 7813 1 19 . 1 1 49 49 GLU CB C 49 28.868 28.868 28.578 0.290 19179 7814 1 19 . 1 1 49 49 GLU H H 49 8.288 8.288 7.774 0.514 19179 7815 1 19 . 1 1 50 50 GLU N N 50 117.450 117.450 119.930 -2.480 19179 7816 1 19 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.082 -0.160 19179 7817 1 19 . 1 1 50 50 GLU C C 50 179.532 179.532 179.185 0.347 19179 7818 1 19 . 1 1 50 50 GLU CA C 50 59.753 59.753 58.891 0.862 19179 7819 1 19 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.617 -0.590 19179 7820 1 19 . 1 1 50 50 GLU H H 50 8.108 8.108 8.195 -0.087 19179 7821 1 19 . 1 1 51 51 LEU N N 51 120.169 120.169 121.665 -1.496 19179 7822 1 19 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.281 0.026 19179 7823 1 19 . 1 1 51 51 LEU C C 51 178.285 178.285 178.696 -0.411 19179 7824 1 19 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.681 -0.243 19179 7825 1 19 . 1 1 51 51 LEU CB C 51 40.766 40.766 42.012 -1.246 19179 7826 1 19 . 1 1 51 51 LEU H H 51 7.835 7.835 8.376 -0.541 19179 7827 1 19 . 1 1 52 52 ALA N N 52 121.167 121.167 121.819 -0.652 19179 7828 1 19 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.075 -0.280 19179 7829 1 19 . 1 1 52 52 ALA C C 52 178.611 178.611 179.196 -0.585 19179 7830 1 19 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.208 0.439 19179 7831 1 19 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.537 -0.361 19179 7832 1 19 . 1 1 52 52 ALA H H 52 8.286 8.286 8.545 -0.259 19179 7833 1 19 . 1 1 53 53 ARG N N 53 115.092 115.092 119.696 -4.604 19179 7834 1 19 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.399 -0.672 19179 7835 1 19 . 1 1 53 53 ARG C C 53 179.136 179.136 178.087 1.049 19179 7836 1 19 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.703 0.905 19179 7837 1 19 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.998 -0.478 19179 7838 1 19 . 1 1 53 53 ARG H H 53 7.957 7.957 8.492 -0.535 19179 7839 1 19 . 1 1 54 54 GLU N N 54 122.263 122.263 118.681 3.582 19179 7840 1 19 . 1 1 54 54 GLU HA H 54 4.064 4.064 3.885 0.179 19179 7841 1 19 . 1 1 54 54 GLU C C 54 179.159 179.159 178.538 0.621 19179 7842 1 19 . 1 1 54 54 GLU CA C 54 59.418 59.418 58.411 1.007 19179 7843 1 19 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.111 0.777 19179 7844 1 19 . 1 1 54 54 GLU H H 54 8.089 8.089 8.333 -0.244 19179 7845 1 19 . 1 1 55 55 LYS N N 55 118.511 118.511 121.179 -2.668 19179 7846 1 19 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.012 -0.202 19179 7847 1 19 . 1 1 55 55 LYS C C 55 179.078 179.078 178.506 0.572 19179 7848 1 19 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.566 1.244 19179 7849 1 19 . 1 1 55 55 LYS CB C 55 32.743 32.743 31.990 0.753 19179 7850 1 19 . 1 1 55 55 LYS H H 55 9.118 9.118 7.926 1.192 19179 7851 1 19 . 1 1 56 56 PHE N N 56 119.918 119.918 115.818 4.100 19179 7852 1 19 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.519 -0.657 19179 7853 1 19 . 1 1 56 56 PHE H H 56 8.456 8.456 8.340 0.116 19179 7854 1 19 . 1 1 57 57 GLU N N 57 121.819 121.819 119.763 2.056 19179 7855 1 19 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.941 0.187 19179 7856 1 19 . 1 1 57 57 GLU C C 57 177.889 177.889 177.591 0.298 19179 7857 1 19 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.027 1.211 19179 7858 1 19 . 1 1 57 57 GLU CB C 57 29.483 29.483 28.116 1.367 19179 7859 1 19 . 1 1 57 57 GLU H H 57 8.153 8.153 7.054 1.099 19179 7860 1 19 . 1 1 58 58 LYS N N 58 115.784 115.784 117.917 -2.133 19179 7861 1 19 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.209 0.058 19179 7862 1 19 . 1 1 58 58 LYS C C 58 176.710 176.710 176.714 -0.004 19179 7863 1 19 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.861 -0.119 19179 7864 1 19 . 1 1 58 58 LYS CB C 58 33.027 33.027 33.166 -0.139 19179 7865 1 19 . 1 1 58 58 LYS H H 58 7.684 7.684 7.943 -0.259 19179 7866 1 19 . 1 1 59 59 GLY N N 59 130.075 130.075 107.352 22.723 19179 7867 1 19 . 1 1 59 59 GLY C C 59 175.969 175.969 173.141 2.828 19179 7868 1 19 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.449 0.881 19179 7869 1 19 . 1 1 59 59 GLY H H 59 7.644 7.644 7.689 -0.045 19179 7870 1 19 . 1 1 60 60 GLU N N 60 117.714 117.714 118.901 -1.187 19179 7871 1 19 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.791 -0.452 19179 7872 1 19 . 1 1 60 60 GLU C C 60 175.359 175.359 175.095 0.264 19179 7873 1 19 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.282 0.251 19179 7874 1 19 . 1 1 60 60 GLU CB C 60 30.356 30.356 33.023 -2.667 19179 7875 1 19 . 1 1 60 60 GLU H H 60 8.008 8.008 8.253 -0.245 19179 7876 1 19 . 1 1 61 61 VAL N N 61 120.144 120.144 121.365 -1.221 19179 7877 1 19 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.389 0.133 19179 7878 1 19 . 1 1 61 61 VAL C C 61 176.175 176.175 174.701 1.474 19179 7879 1 19 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.785 -0.518 19179 7880 1 19 . 1 1 61 61 VAL CB C 61 33.686 33.686 35.358 -1.671 19179 7881 1 19 . 1 1 61 61 VAL H H 61 7.745 7.745 8.274 -0.529 19179 7882 1 19 . 1 1 62 62 SER N N 62 126.283 126.283 122.830 3.453 19179 7883 1 19 . 1 1 62 62 SER HA H 62 4.644 4.644 4.695 -0.051 19179 7884 1 19 . 1 1 62 62 SER C C 62 176.781 176.781 175.038 1.743 19179 7885 1 19 . 1 1 62 62 SER CA C 62 60.796 60.796 59.013 1.783 19179 7886 1 19 . 1 1 62 62 SER CB C 62 65.061 65.061 63.562 1.500 19179 7887 1 19 . 1 1 62 62 SER H H 62 11.396 11.396 8.687 2.709 19179 7888 1 19 . 1 1 63 63 ASN N N 63 118.526 118.526 118.945 -0.419 19179 7889 1 19 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.458 0.274 19179 7890 1 19 . 1 1 63 63 ASN C C 63 172.632 172.632 175.596 -2.964 19179 7891 1 19 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.874 0.712 19179 7892 1 19 . 1 1 63 63 ASN CB C 63 39.772 39.772 37.735 2.037 19179 7893 1 19 . 1 1 63 63 ASN H H 63 10.333 10.333 8.158 2.175 19179 7894 1 19 . 1 1 64 64 PHE N N 64 112.992 112.992 118.300 -5.308 19179 7895 1 19 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.207 0.659 19179 7896 1 19 . 1 1 64 64 PHE C C 64 174.310 174.310 173.430 0.880 19179 7897 1 19 . 1 1 64 64 PHE CA C 64 56.626 56.626 59.109 -2.483 19179 7898 1 19 . 1 1 64 64 PHE CB C 64 42.883 42.883 37.923 4.960 19179 7899 1 19 . 1 1 64 64 PHE H H 64 6.971 6.971 8.085 -1.114 19179 7900 1 19 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.608 0.280 19179 7901 1 19 . 1 1 65 65 ASP C C 65 175.049 175.049 174.109 0.940 19179 7902 1 19 . 1 1 65 65 ASP CA C 65 53.647 53.647 52.313 1.334 19179 7903 1 19 . 1 1 65 65 ASP CB C 65 41.367 41.367 44.063 -2.696 19179 7904 1 19 . 1 1 66 66 ASP N N 66 119.568 119.568 120.498 -0.930 19179 7905 1 19 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.466 0.395 19179 7906 1 19 . 1 1 66 66 ASP C C 66 175.858 175.858 178.078 -2.220 19179 7907 1 19 . 1 1 66 66 ASP CA C 66 52.663 52.663 54.804 -2.141 19179 7908 1 19 . 1 1 66 66 ASP CB C 66 44.261 44.261 41.833 2.428 19179 7909 1 19 . 1 1 66 66 ASP H H 66 7.413 7.413 8.513 -1.100 19179 7910 1 19 . 1 1 67 67 VAL N N 67 127.826 127.826 123.893 3.933 19179 7911 1 19 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.739 -0.757 19179 7912 1 19 . 1 1 67 67 VAL C C 67 175.173 175.173 177.315 -2.142 19179 7913 1 19 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.999 -1.788 19179 7914 1 19 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.251 -1.403 19179 7915 1 19 . 1 1 67 67 VAL H H 67 8.298 8.298 8.478 -0.180 19179 7916 1 19 . 1 1 68 68 GLU N N 68 120.580 120.580 118.657 1.923 19179 7917 1 19 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.063 -0.014 19179 7918 1 19 . 1 1 68 68 GLU C C 68 180.052 180.052 178.748 1.304 19179 7919 1 19 . 1 1 68 68 GLU CA C 68 57.858 57.858 60.227 -2.369 19179 7920 1 19 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.243 -1.839 19179 7921 1 19 . 1 1 68 68 GLU H H 68 7.909 7.909 8.817 -0.908 19179 7922 1 19 . 1 1 69 69 GLU N N 69 121.347 121.347 120.500 0.847 19179 7923 1 19 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.093 -0.161 19179 7924 1 19 . 1 1 69 69 GLU C C 69 179.095 179.095 178.864 0.231 19179 7925 1 19 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.801 0.186 19179 7926 1 19 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.448 0.072 19179 7927 1 19 . 1 1 69 69 GLU H H 69 7.669 7.669 8.102 -0.433 19179 7928 1 19 . 1 1 70 70 LEU N N 70 120.330 120.330 120.726 -0.396 19179 7929 1 19 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.933 -0.988 19179 7930 1 19 . 1 1 70 70 LEU C C 70 177.014 177.014 178.723 -1.709 19179 7931 1 19 . 1 1 70 70 LEU CA C 70 57.479 57.479 57.966 -0.487 19179 7932 1 19 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.962 -1.718 19179 7933 1 19 . 1 1 70 70 LEU H H 70 7.184 7.184 7.915 -0.731 19179 7934 1 19 . 1 1 71 71 VAL N N 71 118.625 118.625 116.535 2.090 19179 7935 1 19 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.652 -0.582 19179 7936 1 19 . 1 1 71 71 VAL C C 71 177.049 177.049 177.993 -0.944 19179 7937 1 19 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.097 1.791 19179 7938 1 19 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.618 0.777 19179 7939 1 19 . 1 1 71 71 VAL H H 71 8.262 8.262 8.512 -0.250 19179 7940 1 19 . 1 1 72 72 LYS N N 72 116.770 116.770 119.461 -2.691 19179 7941 1 19 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.970 -0.133 19179 7942 1 19 . 1 1 72 72 LYS C C 72 179.439 179.439 179.007 0.432 19179 7943 1 19 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.603 0.351 19179 7944 1 19 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.849 0.770 19179 7945 1 19 . 1 1 72 72 LYS H H 72 7.791 7.791 8.150 -0.359 19179 7946 1 19 . 1 1 73 73 LYS N N 73 121.221 121.221 119.180 2.041 19179 7947 1 19 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.113 0.103 19179 7948 1 19 . 1 1 73 73 LYS C C 73 177.539 177.539 178.753 -1.214 19179 7949 1 19 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.342 -1.018 19179 7950 1 19 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.117 -0.211 19179 7951 1 19 . 1 1 73 73 LYS H H 73 7.796 7.796 7.666 0.130 19179 7952 1 19 . 1 1 74 74 VAL N N 74 119.691 119.691 120.703 -1.012 19179 7953 1 19 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.769 -0.354 19179 7954 1 19 . 1 1 74 74 VAL C C 74 177.638 177.638 178.037 -0.399 19179 7955 1 19 . 1 1 74 74 VAL CA C 74 66.863 66.863 66.857 0.006 19179 7956 1 19 . 1 1 74 74 VAL H H 74 8.445 8.445 8.376 0.069 19179 7957 1 19 . 1 1 75 75 VAL N N 75 120.095 120.095 120.744 -0.649 19179 7958 1 19 . 1 1 75 75 VAL HA H 75 3.352 3.352 4.022 -0.670 19179 7959 1 19 . 1 1 75 75 VAL C C 75 177.621 177.621 177.239 0.382 19179 7960 1 19 . 1 1 75 75 VAL CA C 75 67.759 67.759 64.799 2.960 19179 7961 1 19 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.307 -2.151 19179 7962 1 19 . 1 1 75 75 VAL H H 75 8.521 8.521 8.531 -0.010 19179 7963 1 19 . 1 1 76 76 ALA N N 76 120.276 120.276 122.873 -2.597 19179 7964 1 19 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.033 0.158 19179 7965 1 19 . 1 1 76 76 ALA C C 76 181.968 181.968 179.626 2.342 19179 7966 1 19 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.419 0.062 19179 7967 1 19 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.075 0.320 19179 7968 1 19 . 1 1 76 76 ALA H H 76 7.839 7.839 7.818 0.021 19179 7969 1 19 . 1 1 77 77 VAL N N 77 114.746 114.746 119.189 -4.443 19179 7970 1 19 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.564 0.454 19179 7971 1 19 . 1 1 77 77 VAL C C 77 178.133 178.133 177.575 0.558 19179 7972 1 19 . 1 1 77 77 VAL CA C 77 65.530 65.530 65.345 0.185 19179 7973 1 19 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.692 -0.749 19179 7974 1 19 . 1 1 77 77 VAL H H 77 8.662 8.662 7.825 0.837 19179 7975 1 19 . 1 1 78 78 CYS N N 78 119.096 119.096 118.023 1.073 19179 7976 1 19 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.891 0.100 19179 7977 1 19 . 1 1 78 78 CYS C C 78 177.621 177.621 176.762 0.859 19179 7978 1 19 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.752 1.024 19179 7979 1 19 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.328 0.012 19179 7980 1 19 . 1 1 78 78 CYS H H 78 7.740 7.740 8.389 -0.649 19179 7981 1 19 . 1 1 79 79 GLU N N 79 118.797 118.797 117.454 1.343 19179 7982 1 19 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.140 -0.104 19179 7983 1 19 . 1 1 79 79 GLU C C 79 179.135 179.135 179.312 -0.177 19179 7984 1 19 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.856 0.044 19179 7985 1 19 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.214 0.496 19179 7986 1 19 . 1 1 79 79 GLU H H 79 8.106 8.106 8.277 -0.171 19179 7987 1 19 . 1 1 80 80 GLU N N 80 119.483 119.483 120.480 -0.997 19179 7988 1 19 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.135 -0.514 19179 7989 1 19 . 1 1 80 80 GLU C C 80 177.433 177.433 178.023 -0.590 19179 7990 1 19 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.572 0.139 19179 7991 1 19 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.558 1.099 19179 7992 1 19 . 1 1 80 80 GLU H H 80 8.167 8.167 8.088 0.079 19179 7993 1 19 . 1 1 81 81 LEU N N 81 117.475 117.475 117.840 -0.365 19179 7994 1 19 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.334 0.318 19179 7995 1 19 . 1 1 81 81 LEU C C 81 177.355 177.355 177.324 0.031 19179 7996 1 19 . 1 1 81 81 LEU CA C 81 54.409 54.409 55.551 -1.143 19179 7997 1 19 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.312 -0.859 19179 7998 1 19 . 1 1 81 81 LEU H H 81 8.145 8.145 7.782 0.363 19179 7999 1 19 . 1 1 82 82 GLY N N 82 127.998 127.998 107.452 20.546 19179 8000 1 19 . 1 1 82 82 GLY C C 82 175.024 175.024 173.893 1.131 19179 8001 1 19 . 1 1 82 82 GLY CA C 82 47.639 47.639 46.003 1.636 19179 8002 1 19 . 1 1 82 82 GLY H H 82 7.218 7.218 7.489 -0.271 19179 8003 1 19 . 1 1 83 83 ALA N N 83 126.068 126.068 121.342 4.726 19179 8004 1 19 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.773 -0.272 19179 8005 1 19 . 1 1 83 83 ALA C C 83 177.567 177.567 176.069 1.498 19179 8006 1 19 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.064 1.040 19179 8007 1 19 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.161 -0.587 19179 8008 1 19 . 1 1 83 83 ALA H H 83 8.202 8.202 7.668 0.534 19179 8009 1 19 . 1 1 84 84 GLU N N 84 118.661 118.661 122.212 -3.551 19179 8010 1 19 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.797 -0.545 19179 8011 1 19 . 1 1 84 84 GLU C C 84 175.915 175.915 175.214 0.701 19179 8012 1 19 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.714 2.957 19179 8013 1 19 . 1 1 84 84 GLU CB C 84 30.666 30.666 30.750 -0.084 19179 8014 1 19 . 1 1 84 84 GLU H H 84 9.004 9.004 9.022 -0.018 19179 8015 1 19 . 1 1 85 85 GLU N N 85 111.162 111.162 115.115 -3.953 19179 8016 1 19 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.187 -0.306 19179 8017 1 19 . 1 1 85 85 GLU C C 85 173.815 173.815 173.802 0.013 19179 8018 1 19 . 1 1 85 85 GLU CA C 85 53.657 53.657 55.610 -1.953 19179 8019 1 19 . 1 1 85 85 GLU CB C 85 32.364 32.364 30.894 1.470 19179 8020 1 19 . 1 1 85 85 GLU H H 85 7.318 7.318 8.102 -0.784 19179 8021 1 19 . 1 1 86 86 CYS N N 86 122.106 122.106 121.670 0.436 19179 8022 1 19 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.748 -0.670 19179 8023 1 19 . 1 1 86 86 CYS C C 86 177.088 177.088 175.656 1.432 19179 8024 1 19 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.430 2.040 19179 8025 1 19 . 1 1 86 86 CYS CB C 86 29.441 29.441 24.487 4.954 19179 8026 1 19 . 1 1 86 86 CYS H H 86 8.035 8.035 8.542 -0.507 19179 8027 1 19 . 1 1 87 87 PHE N N 87 129.406 129.406 126.027 3.379 19179 8028 1 19 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.213 0.279 19179 8029 1 19 . 1 1 87 87 PHE C C 87 176.921 176.921 177.204 -0.283 19179 8030 1 19 . 1 1 87 87 PHE CA C 87 59.597 59.597 60.932 -1.335 19179 8031 1 19 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.463 0.476 19179 8032 1 19 . 1 1 87 87 PHE H H 87 8.292 8.292 8.278 0.014 19179 8033 1 19 . 1 1 88 88 SER N N 88 118.356 118.356 115.883 2.473 19179 8034 1 19 . 1 1 88 88 SER HA H 88 4.131 4.131 4.326 -0.195 19179 8035 1 19 . 1 1 88 88 SER C C 88 174.940 174.940 176.586 -1.646 19179 8036 1 19 . 1 1 88 88 SER CA C 88 60.832 60.832 60.878 -0.046 19179 8037 1 19 . 1 1 88 88 SER CB C 88 62.143 62.143 61.853 0.290 19179 8038 1 19 . 1 1 88 88 SER H H 88 8.436 8.436 8.387 0.049 19179 8039 1 19 . 1 1 89 89 CYS N N 89 125.476 125.476 119.971 5.505 19179 8040 1 19 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.465 -0.352 19179 8041 1 19 . 1 1 89 89 CYS C C 89 174.660 174.660 175.932 -1.272 19179 8042 1 19 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.246 2.517 19179 8043 1 19 . 1 1 89 89 CYS CB C 89 30.435 30.435 27.089 3.346 19179 8044 1 19 . 1 1 89 89 CYS H H 89 7.699 7.699 8.004 -0.305 19179 8045 1 19 . 1 1 90 90 ASP N N 90 119.756 119.756 117.977 1.779 19179 8046 1 19 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.691 -0.174 19179 8047 1 19 . 1 1 90 90 ASP C C 90 175.429 175.429 176.092 -0.663 19179 8048 1 19 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.028 1.014 19179 8049 1 19 . 1 1 90 90 ASP CB C 90 42.007 42.007 40.126 1.881 19179 8050 1 19 . 1 1 90 90 ASP H H 90 7.569 7.569 8.052 -0.483 19179 8051 1 19 . 1 1 91 91 PHE N N 91 120.531 120.531 122.579 -2.048 19179 8052 1 19 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.340 0.289 19179 8053 1 19 . 1 1 91 91 PHE C C 91 174.893 174.893 174.421 0.472 19179 8054 1 19 . 1 1 91 91 PHE CA C 91 57.260 57.260 59.105 -1.845 19179 8055 1 19 . 1 1 91 91 PHE CB C 91 39.545 39.545 39.945 -0.400 19179 8056 1 19 . 1 1 91 91 PHE H H 91 7.910 7.910 8.017 -0.107 19179 8057 1 20 . 1 1 17 17 GLU C C 17 178.498 178.498 177.059 1.439 19179 8058 1 20 . 1 1 18 18 ALA N N 18 117.689 117.689 125.165 -7.476 19179 8059 1 20 . 1 1 18 18 ALA CA C 18 55.374 55.374 54.781 0.593 19179 8060 1 20 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.032 0.393 19179 8061 1 20 . 1 1 18 18 ALA H H 18 8.085 8.085 8.141 -0.056 19179 8062 1 20 . 1 1 19 19 VAL C C 19 177.450 177.450 177.102 0.348 19179 8063 1 20 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.100 0.712 19179 8064 1 20 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.751 -0.482 19179 8065 1 20 . 1 1 20 20 TYR N N 20 116.865 116.865 118.179 -1.314 19179 8066 1 20 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.173 -0.048 19179 8067 1 20 . 1 1 20 20 TYR C C 20 179.914 179.914 178.345 1.569 19179 8068 1 20 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.225 2.105 19179 8069 1 20 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.560 -0.378 19179 8070 1 20 . 1 1 20 20 TYR H H 20 8.138 8.138 8.222 -0.084 19179 8071 1 20 . 1 1 21 21 ILE N N 21 122.973 122.973 120.139 2.834 19179 8072 1 20 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.699 -0.041 19179 8073 1 20 . 1 1 21 21 ILE C C 21 176.306 176.306 177.838 -1.532 19179 8074 1 20 . 1 1 21 21 ILE CA C 21 66.099 66.099 63.096 3.003 19179 8075 1 20 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.093 0.793 19179 8076 1 20 . 1 1 21 21 ILE H H 21 8.112 8.112 8.079 0.033 19179 8077 1 20 . 1 1 22 22 ALA N N 22 122.302 122.302 122.541 -0.239 19179 8078 1 20 . 1 1 22 22 ALA HA H 22 3.847 3.847 3.980 -0.133 19179 8079 1 20 . 1 1 22 22 ALA C C 22 179.987 179.987 179.869 0.118 19179 8080 1 20 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.166 0.018 19179 8081 1 20 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.614 0.320 19179 8082 1 20 . 1 1 22 22 ALA H H 22 7.839 7.839 7.958 -0.119 19179 8083 1 20 . 1 1 23 23 ILE N N 23 119.408 119.408 113.874 5.534 19179 8084 1 20 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.800 0.570 19179 8085 1 20 . 1 1 23 23 ILE C C 23 180.184 180.184 176.861 3.323 19179 8086 1 20 . 1 1 23 23 ILE CA C 23 63.705 63.705 64.155 -0.450 19179 8087 1 20 . 1 1 23 23 ILE CB C 23 38.342 38.342 37.943 0.399 19179 8088 1 20 . 1 1 23 23 ILE H H 23 8.328 8.328 8.418 -0.090 19179 8089 1 20 . 1 1 24 24 GLU N N 24 125.684 125.684 119.851 5.833 19179 8090 1 20 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.194 -0.306 19179 8091 1 20 . 1 1 24 24 GLU C C 24 178.861 178.861 177.599 1.262 19179 8092 1 20 . 1 1 24 24 GLU CA C 24 52.588 52.588 56.489 -3.901 19179 8093 1 20 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.619 -0.533 19179 8094 1 20 . 1 1 24 24 GLU H H 24 8.344 8.344 7.860 0.484 19179 8095 1 20 . 1 1 25 25 ALA N N 25 117.589 117.589 120.552 -2.963 19179 8096 1 20 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.199 -0.007 19179 8097 1 20 . 1 1 25 25 ALA C C 25 177.866 177.866 177.163 0.703 19179 8098 1 20 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.032 -0.572 19179 8099 1 20 . 1 1 25 25 ALA CB C 25 19.331 19.331 18.956 0.375 19179 8100 1 20 . 1 1 25 25 ALA H H 25 8.228 8.228 7.829 0.399 19179 8101 1 20 . 1 1 26 26 GLY N N 26 129.923 129.923 102.644 27.279 19179 8102 1 20 . 1 1 26 26 GLY C C 26 173.535 173.535 175.380 -1.845 19179 8103 1 20 . 1 1 26 26 GLY CA C 26 44.787 44.787 45.172 -0.385 19179 8104 1 20 . 1 1 26 26 GLY H H 26 8.189 8.189 7.433 0.756 19179 8105 1 20 . 1 1 27 27 THR N N 27 119.446 119.446 117.033 2.413 19179 8106 1 20 . 1 1 27 27 THR HA H 27 4.445 4.445 4.069 0.376 19179 8107 1 20 . 1 1 27 27 THR C C 27 176.521 176.521 174.618 1.903 19179 8108 1 20 . 1 1 27 27 THR CA C 27 66.568 66.568 66.550 0.018 19179 8109 1 20 . 1 1 27 27 THR CB C 27 51.731 51.731 69.454 -17.723 19179 8110 1 20 . 1 1 27 27 THR H H 27 7.919 7.919 7.725 0.194 19179 8111 1 20 . 1 1 28 28 LEU N N 28 119.632 119.632 114.915 4.717 19179 8112 1 20 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.566 0.447 19179 8113 1 20 . 1 1 28 28 LEU C C 28 173.798 173.798 173.908 -0.110 19179 8114 1 20 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.048 -1.048 19179 8115 1 20 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.195 2.626 19179 8116 1 20 . 1 1 28 28 LEU H H 28 7.026 7.026 7.420 -0.394 19179 8117 1 20 . 1 1 29 29 ALA N N 29 121.053 121.053 120.331 0.722 19179 8118 1 20 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.661 -0.269 19179 8119 1 20 . 1 1 29 29 ALA C C 29 173.471 173.471 174.450 -0.979 19179 8120 1 20 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.268 0.415 19179 8121 1 20 . 1 1 29 29 ALA CB C 29 22.970 22.970 20.945 2.025 19179 8122 1 20 . 1 1 29 29 ALA H H 29 8.856 8.856 7.741 1.115 19179 8123 1 20 . 1 1 30 30 GLU N N 30 119.234 119.234 118.979 0.255 19179 8124 1 20 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.239 0.560 19179 8125 1 20 . 1 1 30 30 GLU C C 30 176.292 176.292 174.909 1.383 19179 8126 1 20 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.288 -0.827 19179 8127 1 20 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.391 1.744 19179 8128 1 20 . 1 1 30 30 GLU H H 30 8.244 8.244 7.939 0.305 19179 8129 1 20 . 1 1 31 31 CYS N N 31 129.774 129.774 121.856 7.918 19179 8130 1 20 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.588 -0.276 19179 8131 1 20 . 1 1 31 31 CYS C C 31 175.519 175.519 175.526 -0.007 19179 8132 1 20 . 1 1 31 31 CYS CA C 31 61.544 61.544 59.305 2.239 19179 8133 1 20 . 1 1 31 31 CYS CB C 31 28.588 28.588 28.599 -0.011 19179 8134 1 20 . 1 1 31 31 CYS H H 31 8.586 8.586 8.273 0.313 19179 8135 1 20 . 1 1 32 32 GLU N N 32 126.867 126.867 123.823 3.044 19179 8136 1 20 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.305 -0.216 19179 8137 1 20 . 1 1 32 32 GLU C C 32 177.061 177.061 175.676 1.385 19179 8138 1 20 . 1 1 32 32 GLU CA C 32 58.728 58.728 57.211 1.517 19179 8139 1 20 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.224 1.209 19179 8140 1 20 . 1 1 32 32 GLU H H 32 8.756 8.756 8.835 -0.079 19179 8141 1 20 . 1 1 33 33 VAL N N 33 122.528 122.528 115.941 6.587 19179 8142 1 20 . 1 1 33 33 VAL HA H 33 3.818 3.818 3.990 -0.172 19179 8143 1 20 . 1 1 33 33 VAL C C 33 176.434 176.434 175.321 1.113 19179 8144 1 20 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.495 1.637 19179 8145 1 20 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.525 1.219 19179 8146 1 20 . 1 1 33 33 VAL H H 33 8.935 8.935 7.627 1.308 19179 8147 1 20 . 1 1 34 34 HIS N N 34 126.015 126.015 117.422 8.593 19179 8148 1 20 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.897 -0.322 19179 8149 1 20 . 1 1 34 34 HIS C C 34 173.077 173.077 174.391 -1.314 19179 8150 1 20 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.492 3.143 19179 8151 1 20 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.698 -0.909 19179 8152 1 20 . 1 1 34 34 HIS H H 34 8.834 8.834 7.973 0.861 19179 8153 1 20 . 1 1 35 35 GLU N N 35 122.059 122.059 125.424 -3.365 19179 8154 1 20 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.114 -0.017 19179 8155 1 20 . 1 1 35 35 GLU C C 35 178.839 178.839 177.120 1.719 19179 8156 1 20 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.694 0.374 19179 8157 1 20 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.779 -0.046 19179 8158 1 20 . 1 1 35 35 GLU H H 35 7.643 7.643 8.592 -0.949 19179 8159 1 20 . 1 1 36 36 GLY N N 36 114.969 114.969 113.124 1.845 19179 8160 1 20 . 1 1 36 36 GLY C C 36 173.165 173.165 174.811 -1.646 19179 8161 1 20 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.081 -0.095 19179 8162 1 20 . 1 1 36 36 GLY H H 36 10.615 10.615 9.240 1.375 19179 8163 1 20 . 1 1 37 37 THR N N 37 116.476 116.476 119.897 -3.421 19179 8164 1 20 . 1 1 37 37 THR HA H 37 4.466 4.466 4.698 -0.232 19179 8165 1 20 . 1 1 37 37 THR C C 37 172.121 172.121 173.324 -1.203 19179 8166 1 20 . 1 1 37 37 THR CA C 37 62.490 62.490 62.711 -0.221 19179 8167 1 20 . 1 1 37 37 THR CB C 37 68.752 68.752 68.543 0.209 19179 8168 1 20 . 1 1 37 37 THR H H 37 7.669 7.669 7.660 0.009 19179 8169 1 20 . 1 1 38 38 TYR N N 38 124.951 124.951 124.498 0.453 19179 8170 1 20 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.738 0.897 19179 8171 1 20 . 1 1 38 38 TYR C C 38 174.538 174.538 174.112 0.426 19179 8172 1 20 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.512 -1.511 19179 8173 1 20 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.702 -1.091 19179 8174 1 20 . 1 1 38 38 TYR H H 38 8.622 8.622 8.626 -0.004 19179 8175 1 20 . 1 1 39 39 PHE N N 39 115.194 115.194 114.845 0.349 19179 8176 1 20 . 1 1 39 39 PHE HA H 39 5.084 5.084 5.046 0.038 19179 8177 1 20 . 1 1 39 39 PHE C C 39 173.379 173.379 173.177 0.202 19179 8178 1 20 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.816 -1.879 19179 8179 1 20 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.572 -1.351 19179 8180 1 20 . 1 1 39 39 PHE H H 39 8.483 8.483 8.578 -0.095 19179 8181 1 20 . 1 1 40 40 SER N N 40 114.429 114.429 119.716 -5.287 19179 8182 1 20 . 1 1 40 40 SER HA H 40 4.341 4.341 4.538 -0.197 19179 8183 1 20 . 1 1 40 40 SER C C 40 173.355 173.355 174.492 -1.137 19179 8184 1 20 . 1 1 40 40 SER CA C 40 60.726 60.726 57.517 3.209 19179 8185 1 20 . 1 1 40 40 SER CB C 40 63.544 63.544 64.852 -1.308 19179 8186 1 20 . 1 1 40 40 SER H H 40 9.519 9.519 8.479 1.040 19179 8187 1 20 . 1 1 41 41 ASP N N 41 125.551 125.551 120.923 4.628 19179 8188 1 20 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.449 0.464 19179 8189 1 20 . 1 1 41 41 ASP C C 41 176.230 176.230 176.592 -0.362 19179 8190 1 20 . 1 1 41 41 ASP CA C 41 53.739 53.739 54.380 -0.641 19179 8191 1 20 . 1 1 41 41 ASP CB C 41 39.725 39.725 39.456 0.269 19179 8192 1 20 . 1 1 41 41 ASP H H 41 8.431 8.431 8.119 0.312 19179 8193 1 20 . 1 1 42 42 SER N N 42 114.674 114.674 118.719 -4.045 19179 8194 1 20 . 1 1 42 42 SER HA H 42 4.370 4.370 4.334 0.036 19179 8195 1 20 . 1 1 42 42 SER C C 42 177.229 177.229 175.925 1.304 19179 8196 1 20 . 1 1 42 42 SER CA C 42 59.770 59.770 59.536 0.234 19179 8197 1 20 . 1 1 42 42 SER CB C 42 62.951 62.951 63.470 -0.519 19179 8198 1 20 . 1 1 42 42 SER H H 42 9.001 9.001 7.996 1.005 19179 8199 1 20 . 1 1 43 43 GLY N N 43 130.573 130.573 114.001 16.572 19179 8200 1 20 . 1 1 43 43 GLY C C 43 172.823 172.823 173.702 -0.879 19179 8201 1 20 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.907 0.922 19179 8202 1 20 . 1 1 43 43 GLY H H 43 8.261 8.261 8.925 -0.664 19179 8203 1 20 . 1 1 44 44 ASP N N 44 120.029 120.029 121.632 -1.603 19179 8204 1 20 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.947 -0.206 19179 8205 1 20 . 1 1 44 44 ASP C C 44 176.327 176.327 175.788 0.539 19179 8206 1 20 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.451 -0.142 19179 8207 1 20 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.678 -1.611 19179 8208 1 20 . 1 1 44 44 ASP H H 44 8.583 8.583 7.823 0.760 19179 8209 1 20 . 1 1 45 45 ILE N N 45 129.584 129.584 123.007 6.577 19179 8210 1 20 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.963 -0.272 19179 8211 1 20 . 1 1 45 45 ILE C C 45 177.352 177.352 177.503 -0.151 19179 8212 1 20 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.120 1.847 19179 8213 1 20 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.318 -0.505 19179 8214 1 20 . 1 1 45 45 ILE H H 45 8.589 8.589 8.382 0.207 19179 8215 1 20 . 1 1 46 46 SER N N 46 117.808 117.808 114.761 3.047 19179 8216 1 20 . 1 1 46 46 SER HA H 46 4.338 4.338 4.223 0.115 19179 8217 1 20 . 1 1 46 46 SER C C 46 177.116 177.116 176.428 0.688 19179 8218 1 20 . 1 1 46 46 SER CA C 46 61.744 61.744 61.813 -0.069 19179 8219 1 20 . 1 1 46 46 SER CB C 46 62.502 62.502 62.748 -0.246 19179 8220 1 20 . 1 1 46 46 SER H H 46 8.275 8.275 8.423 -0.148 19179 8221 1 20 . 1 1 47 47 GLU N N 47 121.839 121.839 121.808 0.031 19179 8222 1 20 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.039 0.003 19179 8223 1 20 . 1 1 47 47 GLU C C 47 178.981 178.981 177.900 1.081 19179 8224 1 20 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.046 0.372 19179 8225 1 20 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.318 -0.060 19179 8226 1 20 . 1 1 47 47 GLU H H 47 7.372 7.372 7.963 -0.591 19179 8227 1 20 . 1 1 48 48 ALA N N 48 122.935 122.935 122.389 0.546 19179 8228 1 20 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.069 -0.208 19179 8229 1 20 . 1 1 48 48 ALA C C 48 178.641 178.641 179.476 -0.835 19179 8230 1 20 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.270 0.055 19179 8231 1 20 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.545 -1.153 19179 8232 1 20 . 1 1 48 48 ALA H H 48 6.925 6.925 7.511 -0.586 19179 8233 1 20 . 1 1 49 49 GLU N N 49 118.249 118.249 119.166 -0.917 19179 8234 1 20 . 1 1 49 49 GLU HA H 49 3.613 3.613 3.983 -0.370 19179 8235 1 20 . 1 1 49 49 GLU C C 49 177.879 177.879 178.849 -0.970 19179 8236 1 20 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.137 1.185 19179 8237 1 20 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.092 -0.224 19179 8238 1 20 . 1 1 49 49 GLU H H 49 8.288 8.288 7.918 0.370 19179 8239 1 20 . 1 1 50 50 GLU N N 50 117.450 117.450 120.156 -2.706 19179 8240 1 20 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.130 -0.208 19179 8241 1 20 . 1 1 50 50 GLU C C 50 179.532 179.532 178.998 0.534 19179 8242 1 20 . 1 1 50 50 GLU CA C 50 59.753 59.753 58.564 1.189 19179 8243 1 20 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.956 -0.928 19179 8244 1 20 . 1 1 50 50 GLU H H 50 8.108 8.108 8.094 0.014 19179 8245 1 20 . 1 1 51 51 LEU N N 51 120.169 120.169 121.752 -1.583 19179 8246 1 20 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.146 0.161 19179 8247 1 20 . 1 1 51 51 LEU C C 51 178.285 178.285 178.395 -0.110 19179 8248 1 20 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.664 -0.226 19179 8249 1 20 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.948 -1.182 19179 8250 1 20 . 1 1 51 51 LEU H H 51 7.835 7.835 8.398 -0.563 19179 8251 1 20 . 1 1 52 52 ALA N N 52 121.167 121.167 121.420 -0.253 19179 8252 1 20 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.117 -0.322 19179 8253 1 20 . 1 1 52 52 ALA C C 52 178.611 178.611 179.434 -0.823 19179 8254 1 20 . 1 1 52 52 ALA CA C 52 55.647 55.647 55.018 0.629 19179 8255 1 20 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.533 -0.357 19179 8256 1 20 . 1 1 52 52 ALA H H 52 8.286 8.286 8.721 -0.435 19179 8257 1 20 . 1 1 53 53 ARG N N 53 115.092 115.092 118.979 -3.887 19179 8258 1 20 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.264 -0.537 19179 8259 1 20 . 1 1 53 53 ARG C C 53 179.136 179.136 178.397 0.739 19179 8260 1 20 . 1 1 53 53 ARG CA C 53 60.608 60.608 58.758 1.850 19179 8261 1 20 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.535 -0.015 19179 8262 1 20 . 1 1 53 53 ARG H H 53 7.957 7.957 8.266 -0.309 19179 8263 1 20 . 1 1 54 54 GLU N N 54 122.263 122.263 121.233 1.030 19179 8264 1 20 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.040 0.024 19179 8265 1 20 . 1 1 54 54 GLU C C 54 179.159 179.159 178.578 0.581 19179 8266 1 20 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.451 -0.033 19179 8267 1 20 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.603 0.285 19179 8268 1 20 . 1 1 54 54 GLU H H 54 8.089 8.089 8.164 -0.075 19179 8269 1 20 . 1 1 55 55 LYS N N 55 118.511 118.511 119.579 -1.068 19179 8270 1 20 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.098 -0.288 19179 8271 1 20 . 1 1 55 55 LYS C C 55 179.078 179.078 178.876 0.202 19179 8272 1 20 . 1 1 55 55 LYS CA C 55 59.810 59.810 58.889 0.921 19179 8273 1 20 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.360 0.383 19179 8274 1 20 . 1 1 55 55 LYS H H 55 9.118 9.118 7.940 1.178 19179 8275 1 20 . 1 1 56 56 PHE N N 56 119.918 119.918 119.455 0.463 19179 8276 1 20 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.251 -0.389 19179 8277 1 20 . 1 1 56 56 PHE H H 56 8.456 8.456 8.543 -0.087 19179 8278 1 20 . 1 1 57 57 GLU N N 57 121.819 121.819 118.654 3.165 19179 8279 1 20 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.687 0.441 19179 8280 1 20 . 1 1 57 57 GLU C C 57 177.889 177.889 177.968 -0.079 19179 8281 1 20 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.381 0.857 19179 8282 1 20 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.616 -0.133 19179 8283 1 20 . 1 1 57 57 GLU H H 57 8.153 8.153 7.911 0.242 19179 8284 1 20 . 1 1 58 58 LYS N N 58 115.784 115.784 116.369 -0.585 19179 8285 1 20 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.243 0.024 19179 8286 1 20 . 1 1 58 58 LYS C C 58 176.710 176.710 176.686 0.024 19179 8287 1 20 . 1 1 58 58 LYS CA C 58 56.742 56.742 56.476 0.266 19179 8288 1 20 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.621 0.406 19179 8289 1 20 . 1 1 58 58 LYS H H 58 7.684 7.684 7.775 -0.091 19179 8290 1 20 . 1 1 59 59 GLY N N 59 130.075 130.075 108.945 21.130 19179 8291 1 20 . 1 1 59 59 GLY C C 59 175.969 175.969 172.989 2.980 19179 8292 1 20 . 1 1 59 59 GLY CA C 59 46.330 46.330 44.816 1.514 19179 8293 1 20 . 1 1 59 59 GLY H H 59 7.644 7.644 7.211 0.433 19179 8294 1 20 . 1 1 60 60 GLU N N 60 117.714 117.714 123.300 -5.586 19179 8295 1 20 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.038 0.301 19179 8296 1 20 . 1 1 60 60 GLU C C 60 175.359 175.359 175.448 -0.089 19179 8297 1 20 . 1 1 60 60 GLU CA C 60 55.533 55.533 57.335 -1.802 19179 8298 1 20 . 1 1 60 60 GLU CB C 60 30.356 30.356 30.284 0.072 19179 8299 1 20 . 1 1 60 60 GLU H H 60 8.008 8.008 8.124 -0.116 19179 8300 1 20 . 1 1 61 61 VAL N N 61 120.144 120.144 126.073 -5.929 19179 8301 1 20 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.413 0.109 19179 8302 1 20 . 1 1 61 61 VAL C C 61 176.175 176.175 175.649 0.526 19179 8303 1 20 . 1 1 61 61 VAL CA C 61 61.267 61.267 60.395 0.872 19179 8304 1 20 . 1 1 61 61 VAL CB C 61 33.686 33.686 33.932 -0.246 19179 8305 1 20 . 1 1 61 61 VAL H H 61 7.745 7.745 8.495 -0.750 19179 8306 1 20 . 1 1 62 62 SER N N 62 126.283 126.283 119.140 7.143 19179 8307 1 20 . 1 1 62 62 SER HA H 62 4.644 4.644 4.948 -0.304 19179 8308 1 20 . 1 1 62 62 SER C C 62 176.781 176.781 173.826 2.955 19179 8309 1 20 . 1 1 62 62 SER CA C 62 60.796 60.796 58.902 1.894 19179 8310 1 20 . 1 1 62 62 SER CB C 62 65.061 65.061 63.875 1.186 19179 8311 1 20 . 1 1 62 62 SER H H 62 11.396 11.396 8.596 2.800 19179 8312 1 20 . 1 1 63 63 ASN N N 63 118.526 118.526 118.887 -0.361 19179 8313 1 20 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.869 -0.137 19179 8314 1 20 . 1 1 63 63 ASN C C 63 172.632 172.632 173.736 -1.104 19179 8315 1 20 . 1 1 63 63 ASN CA C 63 54.586 54.586 52.778 1.808 19179 8316 1 20 . 1 1 63 63 ASN CB C 63 39.772 39.772 39.200 0.572 19179 8317 1 20 . 1 1 63 63 ASN H H 63 10.333 10.333 8.300 2.033 19179 8318 1 20 . 1 1 64 64 PHE N N 64 112.992 112.992 117.656 -4.664 19179 8319 1 20 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.723 0.143 19179 8320 1 20 . 1 1 64 64 PHE C C 64 174.310 174.310 174.338 -0.028 19179 8321 1 20 . 1 1 64 64 PHE CA C 64 56.626 56.626 56.635 -0.009 19179 8322 1 20 . 1 1 64 64 PHE CB C 64 42.883 42.883 41.343 1.540 19179 8323 1 20 . 1 1 64 64 PHE H H 64 6.971 6.971 7.660 -0.689 19179 8324 1 20 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.496 0.392 19179 8325 1 20 . 1 1 65 65 ASP C C 65 175.049 175.049 175.611 -0.562 19179 8326 1 20 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.963 -1.316 19179 8327 1 20 . 1 1 65 65 ASP CB C 65 41.367 41.367 42.740 -1.373 19179 8328 1 20 . 1 1 66 66 ASP N N 66 119.568 119.568 118.114 1.454 19179 8329 1 20 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.955 -0.094 19179 8330 1 20 . 1 1 66 66 ASP C C 66 175.858 175.858 176.325 -0.467 19179 8331 1 20 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.827 -1.163 19179 8332 1 20 . 1 1 66 66 ASP CB C 66 44.261 44.261 43.997 0.264 19179 8333 1 20 . 1 1 66 66 ASP H H 66 7.413 7.413 7.883 -0.470 19179 8334 1 20 . 1 1 67 67 VAL N N 67 127.826 127.826 123.038 4.788 19179 8335 1 20 . 1 1 67 67 VAL HA H 67 2.982 2.982 4.053 -1.071 19179 8336 1 20 . 1 1 67 67 VAL C C 67 175.173 175.173 176.925 -1.752 19179 8337 1 20 . 1 1 67 67 VAL CA C 67 64.211 64.211 65.351 -1.140 19179 8338 1 20 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.290 -1.442 19179 8339 1 20 . 1 1 67 67 VAL H H 67 8.298 8.298 8.437 -0.139 19179 8340 1 20 . 1 1 68 68 GLU N N 68 120.580 120.580 118.821 1.759 19179 8341 1 20 . 1 1 68 68 GLU HA H 68 4.049 4.049 4.109 -0.060 19179 8342 1 20 . 1 1 68 68 GLU C C 68 180.052 180.052 179.117 0.935 19179 8343 1 20 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.819 -1.961 19179 8344 1 20 . 1 1 68 68 GLU CB C 68 27.404 27.404 29.132 -1.728 19179 8345 1 20 . 1 1 68 68 GLU H H 68 7.909 7.909 8.859 -0.950 19179 8346 1 20 . 1 1 69 69 GLU N N 69 121.347 121.347 120.398 0.949 19179 8347 1 20 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.203 -0.271 19179 8348 1 20 . 1 1 69 69 GLU C C 69 179.095 179.095 178.667 0.428 19179 8349 1 20 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.928 0.059 19179 8350 1 20 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.491 0.029 19179 8351 1 20 . 1 1 69 69 GLU H H 69 7.669 7.669 8.327 -0.658 19179 8352 1 20 . 1 1 70 70 LEU N N 70 120.330 120.330 120.984 -0.654 19179 8353 1 20 . 1 1 70 70 LEU HA H 70 2.945 2.945 4.039 -1.094 19179 8354 1 20 . 1 1 70 70 LEU C C 70 177.014 177.014 178.960 -1.946 19179 8355 1 20 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.397 -0.918 19179 8356 1 20 . 1 1 70 70 LEU CB C 70 40.244 40.244 42.169 -1.925 19179 8357 1 20 . 1 1 70 70 LEU H H 70 7.184 7.184 8.326 -1.142 19179 8358 1 20 . 1 1 71 71 VAL N N 71 118.625 118.625 115.527 3.098 19179 8359 1 20 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.644 -0.574 19179 8360 1 20 . 1 1 71 71 VAL C C 71 177.049 177.049 177.822 -0.773 19179 8361 1 20 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.298 1.590 19179 8362 1 20 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.851 0.544 19179 8363 1 20 . 1 1 71 71 VAL H H 71 8.262 8.262 8.633 -0.371 19179 8364 1 20 . 1 1 72 72 LYS N N 72 116.770 116.770 119.701 -2.931 19179 8365 1 20 . 1 1 72 72 LYS HA H 72 3.837 3.837 4.021 -0.184 19179 8366 1 20 . 1 1 72 72 LYS C C 72 179.439 179.439 178.910 0.529 19179 8367 1 20 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.276 0.678 19179 8368 1 20 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.901 0.718 19179 8369 1 20 . 1 1 72 72 LYS H H 72 7.791 7.791 7.814 -0.023 19179 8370 1 20 . 1 1 73 73 LYS N N 73 121.221 121.221 118.728 2.493 19179 8371 1 20 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.153 0.063 19179 8372 1 20 . 1 1 73 73 LYS C C 73 177.539 177.539 178.880 -1.341 19179 8373 1 20 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.477 -1.153 19179 8374 1 20 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.152 -0.246 19179 8375 1 20 . 1 1 73 73 LYS H H 73 7.796 7.796 7.977 -0.181 19179 8376 1 20 . 1 1 74 74 VAL N N 74 119.691 119.691 121.014 -1.323 19179 8377 1 20 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.724 -0.309 19179 8378 1 20 . 1 1 74 74 VAL C C 74 177.638 177.638 177.873 -0.235 19179 8379 1 20 . 1 1 74 74 VAL CA C 74 66.863 66.863 67.266 -0.403 19179 8380 1 20 . 1 1 74 74 VAL H H 74 8.445 8.445 8.219 0.226 19179 8381 1 20 . 1 1 75 75 VAL N N 75 120.095 120.095 120.453 -0.358 19179 8382 1 20 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.754 -0.402 19179 8383 1 20 . 1 1 75 75 VAL C C 75 177.621 177.621 177.029 0.592 19179 8384 1 20 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.171 2.588 19179 8385 1 20 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.356 -2.200 19179 8386 1 20 . 1 1 75 75 VAL H H 75 8.521 8.521 8.125 0.396 19179 8387 1 20 . 1 1 76 76 ALA N N 76 120.276 120.276 121.949 -1.673 19179 8388 1 20 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.055 0.136 19179 8389 1 20 . 1 1 76 76 ALA C C 76 181.968 181.968 179.872 2.096 19179 8390 1 20 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.122 0.359 19179 8391 1 20 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.318 0.077 19179 8392 1 20 . 1 1 76 76 ALA H H 76 7.839 7.839 7.867 -0.028 19179 8393 1 20 . 1 1 77 77 VAL N N 77 114.746 114.746 119.138 -4.392 19179 8394 1 20 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.649 0.369 19179 8395 1 20 . 1 1 77 77 VAL C C 77 178.133 178.133 177.646 0.487 19179 8396 1 20 . 1 1 77 77 VAL CA C 77 65.530 65.530 67.172 -1.642 19179 8397 1 20 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.771 -0.828 19179 8398 1 20 . 1 1 77 77 VAL H H 77 8.662 8.662 8.093 0.569 19179 8399 1 20 . 1 1 78 78 CYS N N 78 119.096 119.096 118.169 0.927 19179 8400 1 20 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.950 0.041 19179 8401 1 20 . 1 1 78 78 CYS C C 78 177.621 177.621 176.600 1.021 19179 8402 1 20 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.128 1.648 19179 8403 1 20 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.433 -0.094 19179 8404 1 20 . 1 1 78 78 CYS H H 78 7.740 7.740 8.421 -0.681 19179 8405 1 20 . 1 1 79 79 GLU N N 79 118.797 118.797 119.771 -0.974 19179 8406 1 20 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.094 -0.058 19179 8407 1 20 . 1 1 79 79 GLU C C 79 179.135 179.135 178.868 0.267 19179 8408 1 20 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.520 0.380 19179 8409 1 20 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.531 0.179 19179 8410 1 20 . 1 1 79 79 GLU H H 79 8.106 8.106 8.316 -0.210 19179 8411 1 20 . 1 1 80 80 GLU N N 80 119.483 119.483 120.352 -0.869 19179 8412 1 20 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.175 -0.554 19179 8413 1 20 . 1 1 80 80 GLU C C 80 177.433 177.433 177.908 -0.475 19179 8414 1 20 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.380 0.331 19179 8415 1 20 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.706 0.952 19179 8416 1 20 . 1 1 80 80 GLU H H 80 8.167 8.167 8.205 -0.038 19179 8417 1 20 . 1 1 81 81 LEU N N 81 117.475 117.475 117.172 0.303 19179 8418 1 20 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.316 0.336 19179 8419 1 20 . 1 1 81 81 LEU C C 81 177.355 177.355 177.004 0.351 19179 8420 1 20 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.683 -0.274 19179 8421 1 20 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.573 -1.120 19179 8422 1 20 . 1 1 81 81 LEU H H 81 8.145 8.145 7.798 0.347 19179 8423 1 20 . 1 1 82 82 GLY N N 82 127.998 127.998 106.758 21.240 19179 8424 1 20 . 1 1 82 82 GLY C C 82 175.024 175.024 173.771 1.253 19179 8425 1 20 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.696 1.943 19179 8426 1 20 . 1 1 82 82 GLY H H 82 7.218 7.218 7.444 -0.226 19179 8427 1 20 . 1 1 83 83 ALA N N 83 126.068 126.068 122.084 3.984 19179 8428 1 20 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.624 -0.123 19179 8429 1 20 . 1 1 83 83 ALA C C 83 177.567 177.567 175.957 1.610 19179 8430 1 20 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.298 0.806 19179 8431 1 20 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.186 -0.612 19179 8432 1 20 . 1 1 83 83 ALA H H 83 8.202 8.202 7.376 0.826 19179 8433 1 20 . 1 1 84 84 GLU N N 84 118.661 118.661 121.794 -3.133 19179 8434 1 20 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.764 -0.512 19179 8435 1 20 . 1 1 84 84 GLU C C 84 175.915 175.915 175.213 0.702 19179 8436 1 20 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.506 3.165 19179 8437 1 20 . 1 1 84 84 GLU CB C 84 30.666 30.666 29.963 0.703 19179 8438 1 20 . 1 1 84 84 GLU H H 84 9.004 9.004 8.964 0.040 19179 8439 1 20 . 1 1 85 85 GLU N N 85 111.162 111.162 116.781 -5.619 19179 8440 1 20 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.304 -0.423 19179 8441 1 20 . 1 1 85 85 GLU C C 85 173.815 173.815 173.934 -0.119 19179 8442 1 20 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.081 -2.424 19179 8443 1 20 . 1 1 85 85 GLU CB C 85 32.364 32.364 30.387 1.977 19179 8444 1 20 . 1 1 85 85 GLU H H 85 7.318 7.318 8.027 -0.709 19179 8445 1 20 . 1 1 86 86 CYS N N 86 122.106 122.106 119.962 2.144 19179 8446 1 20 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.833 -0.755 19179 8447 1 20 . 1 1 86 86 CYS C C 86 177.088 177.088 174.759 2.329 19179 8448 1 20 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.489 1.981 19179 8449 1 20 . 1 1 86 86 CYS CB C 86 29.441 29.441 27.290 2.151 19179 8450 1 20 . 1 1 86 86 CYS H H 86 8.035 8.035 8.476 -0.441 19179 8451 1 20 . 1 1 87 87 PHE N N 87 129.406 129.406 125.787 3.619 19179 8452 1 20 . 1 1 87 87 PHE HA H 87 4.492 4.492 5.066 -0.574 19179 8453 1 20 . 1 1 87 87 PHE C C 87 176.921 176.921 176.622 0.299 19179 8454 1 20 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.195 0.402 19179 8455 1 20 . 1 1 87 87 PHE CB C 87 38.939 38.939 39.118 -0.179 19179 8456 1 20 . 1 1 87 87 PHE H H 87 8.292 8.292 8.964 -0.672 19179 8457 1 20 . 1 1 88 88 SER N N 88 118.356 118.356 116.569 1.787 19179 8458 1 20 . 1 1 88 88 SER HA H 88 4.131 4.131 3.643 0.488 19179 8459 1 20 . 1 1 88 88 SER C C 88 174.940 174.940 176.394 -1.454 19179 8460 1 20 . 1 1 88 88 SER CA C 88 60.832 60.832 60.847 -0.015 19179 8461 1 20 . 1 1 88 88 SER CB C 88 62.143 62.143 61.680 0.463 19179 8462 1 20 . 1 1 88 88 SER H H 88 8.436 8.436 7.573 0.863 19179 8463 1 20 . 1 1 89 89 CYS N N 89 125.476 125.476 118.431 7.045 19179 8464 1 20 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.328 -0.215 19179 8465 1 20 . 1 1 89 89 CYS C C 89 174.660 174.660 175.675 -1.015 19179 8466 1 20 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.255 2.508 19179 8467 1 20 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.348 4.087 19179 8468 1 20 . 1 1 89 89 CYS H H 89 7.699 7.699 7.748 -0.049 19179 8469 1 20 . 1 1 90 90 ASP N N 90 119.756 119.756 118.923 0.833 19179 8470 1 20 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.624 -0.107 19179 8471 1 20 . 1 1 90 90 ASP C C 90 175.429 175.429 175.762 -0.333 19179 8472 1 20 . 1 1 90 90 ASP CA C 90 54.042 54.042 53.605 0.437 19179 8473 1 20 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.305 0.702 19179 8474 1 20 . 1 1 90 90 ASP H H 90 7.569 7.569 7.809 -0.240 19179 8475 1 20 . 1 1 91 91 PHE N N 91 120.531 120.531 121.255 -0.724 19179 8476 1 20 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.489 0.140 19179 8477 1 20 . 1 1 91 91 PHE C C 91 174.893 174.893 174.081 0.812 19179 8478 1 20 . 1 1 91 91 PHE CA C 91 57.260 57.260 58.024 -0.764 19179 8479 1 20 . 1 1 91 91 PHE CB C 91 39.545 39.545 41.172 -1.627 19179 8480 1 20 . 1 1 91 91 PHE H H 91 7.910 7.910 7.628 0.282 19179 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 72 5.920 -1.423 5.787 19179 2 1 1 "Average Difference" HA 77 0.341 0.045 0.341 19179 3 1 1 "Average Difference" C 73 1.225 -0.095 1.230 19179 4 1 1 "Average Difference" CA 73 1.545 -0.224 1.539 19179 5 1 1 "Average Difference" CB 67 2.669 0.081 2.688 19179 6 1 1 "Average Difference" HN 72 0.691 -0.022 0.695 19179 7 1 2 "Average Difference" N 72 6.142 -1.642 5.960 19179 8 1 2 "Average Difference" HA 77 0.385 0.046 0.385 19179 9 1 2 "Average Difference" C 73 1.262 -0.172 1.259 19179 10 1 2 "Average Difference" CA 73 1.512 -0.213 1.507 19179 11 1 2 "Average Difference" CB 67 2.619 0.249 2.627 19179 12 1 2 "Average Difference" HN 72 0.669 -0.059 0.671 19179 13 1 3 "Average Difference" N 72 6.201 -1.653 6.019 19179 14 1 3 "Average Difference" HA 77 0.407 0.045 0.407 19179 15 1 3 "Average Difference" C 73 1.268 -0.176 1.264 19179 16 1 3 "Average Difference" CA 73 1.498 -0.239 1.489 19179 17 1 3 "Average Difference" CB 67 2.574 0.152 2.589 19179 18 1 3 "Average Difference" HN 72 0.726 -0.023 0.731 19179 19 1 4 "Average Difference" N 72 6.114 -1.563 5.953 19179 20 1 4 "Average Difference" HA 77 0.367 0.047 0.366 19179 21 1 4 "Average Difference" C 73 1.163 -0.087 1.168 19179 22 1 4 "Average Difference" CA 73 1.512 -0.235 1.504 19179 23 1 4 "Average Difference" CB 67 2.756 0.034 2.777 19179 24 1 4 "Average Difference" HN 72 0.757 0.014 0.763 19179 25 1 5 "Average Difference" N 72 5.796 -1.375 5.670 19179 26 1 5 "Average Difference" HA 77 0.360 0.022 0.362 19179 27 1 5 "Average Difference" C 73 1.350 -0.134 1.353 19179 28 1 5 "Average Difference" CA 73 1.433 -0.181 1.431 19179 29 1 5 "Average Difference" CB 67 2.466 0.101 2.483 19179 30 1 5 "Average Difference" HN 72 0.678 -0.030 0.682 19179 31 1 6 "Average Difference" N 72 6.200 -1.581 6.037 19179 32 1 6 "Average Difference" HA 77 0.347 0.032 0.347 19179 33 1 6 "Average Difference" C 73 1.245 -0.181 1.241 19179 34 1 6 "Average Difference" CA 73 1.577 -0.402 1.535 19179 35 1 6 "Average Difference" CB 67 2.460 0.171 2.473 19179 36 1 6 "Average Difference" HN 72 0.707 -0.110 0.703 19179 37 1 7 "Average Difference" N 72 6.054 -1.613 5.876 19179 38 1 7 "Average Difference" HA 77 0.374 0.047 0.374 19179 39 1 7 "Average Difference" C 73 1.192 -0.220 1.179 19179 40 1 7 "Average Difference" CA 73 1.545 -0.413 1.499 19179 41 1 7 "Average Difference" CB 67 2.600 0.147 2.616 19179 42 1 7 "Average Difference" HN 72 0.709 -0.096 0.707 19179 43 1 8 "Average Difference" N 72 6.042 -1.548 5.881 19179 44 1 8 "Average Difference" HA 77 0.355 0.007 0.358 19179 45 1 8 "Average Difference" C 73 1.259 -0.102 1.263 19179 46 1 8 "Average Difference" CA 73 1.432 -0.156 1.434 19179 47 1 8 "Average Difference" CB 67 2.575 0.024 2.595 19179 48 1 8 "Average Difference" HN 72 0.691 -0.046 0.694 19179 49 1 9 "Average Difference" N 72 6.119 -1.691 5.922 19179 50 1 9 "Average Difference" HA 77 0.330 0.051 0.328 19179 51 1 9 "Average Difference" C 73 1.179 -0.233 1.164 19179 52 1 9 "Average Difference" CA 73 1.493 -0.282 1.476 19179 53 1 9 "Average Difference" CB 67 2.624 0.178 2.638 19179 54 1 9 "Average Difference" HN 72 0.744 -0.057 0.747 19179 55 1 10 "Average Difference" N 72 6.154 -1.539 6.001 19179 56 1 10 "Average Difference" HA 77 0.368 0.045 0.368 19179 57 1 10 "Average Difference" C 73 1.260 -0.206 1.252 19179 58 1 10 "Average Difference" CA 73 1.444 -0.312 1.419 19179 59 1 10 "Average Difference" CB 67 2.547 0.220 2.557 19179 60 1 10 "Average Difference" HN 72 0.711 -0.006 0.716 19179 61 1 11 "Average Difference" N 72 6.293 -1.802 6.072 19179 62 1 11 "Average Difference" HA 77 0.353 0.050 0.352 19179 63 1 11 "Average Difference" C 73 1.246 -0.298 1.218 19179 64 1 11 "Average Difference" CA 73 1.380 -0.280 1.361 19179 65 1 11 "Average Difference" CB 67 2.460 0.248 2.465 19179 66 1 11 "Average Difference" HN 72 0.733 -0.064 0.735 19179 67 1 12 "Average Difference" N 72 6.211 -1.770 5.995 19179 68 1 12 "Average Difference" HA 77 0.372 0.071 0.368 19179 69 1 12 "Average Difference" C 73 1.277 -0.258 1.259 19179 70 1 12 "Average Difference" CA 73 1.426 -0.409 1.376 19179 71 1 12 "Average Difference" CB 67 2.510 0.194 2.521 19179 72 1 12 "Average Difference" HN 72 0.746 -0.031 0.751 19179 73 1 13 "Average Difference" N 72 6.176 -1.359 6.066 19179 74 1 13 "Average Difference" HA 77 0.343 0.040 0.343 19179 75 1 13 "Average Difference" C 73 1.162 -0.084 1.167 19179 76 1 13 "Average Difference" CA 73 1.592 -0.236 1.585 19179 77 1 13 "Average Difference" CB 67 2.510 0.062 2.528 19179 78 1 13 "Average Difference" HN 72 0.744 -0.097 0.743 19179 79 1 14 "Average Difference" N 72 5.990 -1.340 5.879 19179 80 1 14 "Average Difference" HA 77 0.342 0.004 0.344 19179 81 1 14 "Average Difference" C 73 1.199 -0.066 1.206 19179 82 1 14 "Average Difference" CA 73 1.539 -0.189 1.538 19179 83 1 14 "Average Difference" CB 67 2.657 -0.024 2.677 19179 84 1 14 "Average Difference" HN 72 0.717 -0.066 0.719 19179 85 1 15 "Average Difference" N 72 6.145 -1.587 5.979 19179 86 1 15 "Average Difference" HA 77 0.361 0.044 0.361 19179 87 1 15 "Average Difference" C 73 1.273 -0.268 1.253 19179 88 1 15 "Average Difference" CA 73 1.553 -0.215 1.548 19179 89 1 15 "Average Difference" CB 67 2.667 0.074 2.686 19179 90 1 15 "Average Difference" HN 72 0.728 -0.034 0.732 19179 91 1 16 "Average Difference" N 72 5.884 -1.345 5.769 19179 92 1 16 "Average Difference" HA 77 0.339 0.044 0.338 19179 93 1 16 "Average Difference" C 73 1.266 -0.193 1.260 19179 94 1 16 "Average Difference" CA 73 1.451 -0.298 1.430 19179 95 1 16 "Average Difference" CB 67 2.576 0.051 2.595 19179 96 1 16 "Average Difference" HN 72 0.687 -0.031 0.691 19179 97 1 17 "Average Difference" N 72 6.019 -1.699 5.815 19179 98 1 17 "Average Difference" HA 77 0.381 0.075 0.376 19179 99 1 17 "Average Difference" C 73 1.267 -0.285 1.243 19179 100 1 17 "Average Difference" CA 73 1.454 -0.323 1.427 19179 101 1 17 "Average Difference" CB 67 2.600 0.315 2.600 19179 102 1 17 "Average Difference" HN 72 0.680 -0.074 0.681 19179 103 1 18 "Average Difference" N 72 6.311 -1.349 6.208 19179 104 1 18 "Average Difference" HA 77 0.337 0.044 0.336 19179 105 1 18 "Average Difference" C 73 1.247 -0.193 1.241 19179 106 1 18 "Average Difference" CA 73 1.544 -0.228 1.538 19179 107 1 18 "Average Difference" CB 67 2.570 0.123 2.586 19179 108 1 18 "Average Difference" HN 72 0.686 -0.047 0.690 19179 109 1 19 "Average Difference" N 72 6.102 -1.508 5.954 19179 110 1 19 "Average Difference" HA 77 0.359 0.065 0.355 19179 111 1 19 "Average Difference" C 73 1.222 -0.154 1.221 19179 112 1 19 "Average Difference" CA 73 1.546 -0.251 1.536 19179 113 1 19 "Average Difference" CB 67 2.701 0.073 2.721 19179 114 1 19 "Average Difference" HN 72 0.718 -0.039 0.722 19179 115 1 20 "Average Difference" N 72 6.246 -1.656 6.064 19179 116 1 20 "Average Difference" HA 77 0.368 0.062 0.365 19179 117 1 20 "Average Difference" C 73 1.185 -0.234 1.170 19179 118 1 20 "Average Difference" CA 73 1.445 -0.374 1.405 19179 119 1 20 "Average Difference" CB 67 2.440 0.232 2.448 19179 120 1 20 "Average Difference" HN 72 0.690 -0.096 0.688 19179 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 19179 _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 17 17 GLU C C 17 178.498 178.498 177.102 1.396 19179 2 1 . 1 1 18 18 ALA N N 18 117.689 117.689 124.254 -6.565 19179 3 1 . 1 1 18 18 ALA CA C 18 55.374 55.374 55.199 0.175 19179 4 1 . 1 1 18 18 ALA CB C 18 18.425 18.425 18.288 0.137 19179 5 1 . 1 1 18 18 ALA H H 18 8.085 8.085 8.481 -0.396 19179 6 1 . 1 1 19 19 VAL C C 19 177.450 177.450 177.176 0.274 19179 7 1 . 1 1 19 19 VAL CA C 19 66.812 66.812 66.065 0.747 19179 8 1 . 1 1 19 19 VAL CB C 19 31.269 31.269 31.500 -0.231 19179 9 1 . 1 1 20 20 TYR N N 20 116.865 116.865 118.667 -1.802 19179 10 1 . 1 1 20 20 TYR HA H 20 4.125 4.125 4.221 -0.096 19179 11 1 . 1 1 20 20 TYR C C 20 179.914 179.914 178.421 1.493 19179 12 1 . 1 1 20 20 TYR CA C 20 62.330 62.330 60.196 2.134 19179 13 1 . 1 1 20 20 TYR CB C 20 37.182 37.182 37.671 -0.489 19179 14 1 . 1 1 20 20 TYR H H 20 8.138 8.138 8.117 0.022 19179 15 1 . 1 1 21 21 ILE N N 21 122.973 122.973 119.792 3.181 19179 16 1 . 1 1 21 21 ILE HA H 21 3.658 3.658 3.795 -0.137 19179 17 1 . 1 1 21 21 ILE C C 21 176.306 176.306 177.690 -1.384 19179 18 1 . 1 1 21 21 ILE CA C 21 66.099 66.099 62.943 3.156 19179 19 1 . 1 1 21 21 ILE CB C 21 37.886 37.886 37.291 0.595 19179 20 1 . 1 1 21 21 ILE H H 21 8.112 8.112 8.397 -0.285 19179 21 1 . 1 1 22 22 ALA N N 22 122.302 122.302 122.328 -0.026 19179 22 1 . 1 1 22 22 ALA HA H 22 3.847 3.847 4.078 -0.231 19179 23 1 . 1 1 22 22 ALA C C 22 179.987 179.987 179.694 0.293 19179 24 1 . 1 1 22 22 ALA CA C 22 55.184 55.184 55.209 -0.025 19179 25 1 . 1 1 22 22 ALA CB C 22 18.934 18.934 18.634 0.301 19179 26 1 . 1 1 22 22 ALA H H 22 7.839 7.839 7.997 -0.158 19179 27 1 . 1 1 23 23 ILE N N 23 119.408 119.408 114.947 4.460 19179 28 1 . 1 1 23 23 ILE HA H 23 4.370 4.370 3.957 0.413 19179 29 1 . 1 1 23 23 ILE C C 23 180.184 180.184 176.682 3.502 19179 30 1 . 1 1 23 23 ILE CA C 23 63.705 63.705 63.600 0.105 19179 31 1 . 1 1 23 23 ILE CB C 23 38.342 38.342 38.188 0.154 19179 32 1 . 1 1 23 23 ILE H H 23 8.328 8.328 8.246 0.082 19179 33 1 . 1 1 24 24 GLU N N 24 125.684 125.684 120.108 5.576 19179 34 1 . 1 1 24 24 GLU HA H 24 3.888 3.888 4.242 -0.354 19179 35 1 . 1 1 24 24 GLU C C 24 178.861 178.861 177.600 1.261 19179 36 1 . 1 1 24 24 GLU CA C 24 52.588 52.588 57.026 -4.438 19179 37 1 . 1 1 24 24 GLU CB C 24 29.086 29.086 29.542 -0.456 19179 38 1 . 1 1 24 24 GLU H H 24 8.344 8.344 8.125 0.219 19179 39 1 . 1 1 25 25 ALA N N 25 117.589 117.589 121.011 -3.422 19179 40 1 . 1 1 25 25 ALA HA H 25 4.192 4.192 4.232 -0.040 19179 41 1 . 1 1 25 25 ALA C C 25 177.866 177.866 177.444 0.422 19179 42 1 . 1 1 25 25 ALA CA C 25 52.460 52.460 53.096 -0.636 19179 43 1 . 1 1 25 25 ALA CB C 25 19.331 19.331 19.034 0.297 19179 44 1 . 1 1 25 25 ALA H H 25 8.228 8.228 7.758 0.470 19179 45 1 . 1 1 26 26 GLY N N 26 129.923 129.923 103.579 26.344 19179 46 1 . 1 1 26 26 GLY C C 26 173.535 173.535 175.017 -1.482 19179 47 1 . 1 1 26 26 GLY CA C 26 44.787 44.787 44.922 -0.135 19179 48 1 . 1 1 26 26 GLY H H 26 8.189 8.189 7.581 0.608 19179 49 1 . 1 1 27 27 THR N N 27 119.446 119.446 116.836 2.610 19179 50 1 . 1 1 27 27 THR HA H 27 4.445 4.445 4.243 0.202 19179 51 1 . 1 1 27 27 THR C C 27 176.521 176.521 174.353 2.168 19179 52 1 . 1 1 27 27 THR CA C 27 66.568 66.568 65.545 1.023 19179 53 1 . 1 1 27 27 THR CB C 27 51.731 51.731 69.836 -18.105 19179 54 1 . 1 1 27 27 THR H H 27 7.919 7.919 8.013 -0.094 19179 55 1 . 1 1 28 28 LEU N N 28 119.632 119.632 116.515 3.117 19179 56 1 . 1 1 28 28 LEU HA H 28 5.013 5.013 4.525 0.488 19179 57 1 . 1 1 28 28 LEU C C 28 173.798 173.798 174.128 -0.330 19179 58 1 . 1 1 28 28 LEU CA C 28 52.000 52.000 53.267 -1.267 19179 59 1 . 1 1 28 28 LEU CB C 28 46.821 46.821 44.604 2.217 19179 60 1 . 1 1 28 28 LEU H H 28 7.026 7.026 7.399 -0.373 19179 61 1 . 1 1 29 29 ALA N N 29 121.053 121.053 120.216 0.837 19179 62 1 . 1 1 29 29 ALA HA H 29 4.392 4.392 4.548 -0.156 19179 63 1 . 1 1 29 29 ALA C C 29 173.471 173.471 174.186 -0.715 19179 64 1 . 1 1 29 29 ALA CA C 29 50.683 50.683 50.185 0.498 19179 65 1 . 1 1 29 29 ALA CB C 29 22.970 22.970 21.396 1.573 19179 66 1 . 1 1 29 29 ALA H H 29 8.856 8.856 7.880 0.976 19179 67 1 . 1 1 30 30 GLU N N 30 119.234 119.234 118.278 0.956 19179 68 1 . 1 1 30 30 GLU HA H 30 4.799 4.799 4.434 0.365 19179 69 1 . 1 1 30 30 GLU C C 30 176.292 176.292 174.881 1.411 19179 70 1 . 1 1 30 30 GLU CA C 30 53.461 53.461 54.359 -0.898 19179 71 1 . 1 1 30 30 GLU CB C 30 33.135 33.135 31.126 2.009 19179 72 1 . 1 1 30 30 GLU H H 30 8.244 8.244 8.052 0.192 19179 73 1 . 1 1 31 31 CYS N N 31 129.774 129.774 122.575 7.199 19179 74 1 . 1 1 31 31 CYS HA H 31 4.312 4.312 4.425 -0.113 19179 75 1 . 1 1 31 31 CYS C C 31 175.519 175.519 176.274 -0.755 19179 76 1 . 1 1 31 31 CYS CA C 31 61.544 61.544 60.255 1.289 19179 77 1 . 1 1 31 31 CYS CB C 31 28.588 28.588 27.700 0.888 19179 78 1 . 1 1 31 31 CYS H H 31 8.586 8.586 8.672 -0.086 19179 79 1 . 1 1 32 32 GLU N N 32 126.867 126.867 126.164 0.703 19179 80 1 . 1 1 32 32 GLU HA H 32 4.089 4.089 4.231 -0.142 19179 81 1 . 1 1 32 32 GLU C C 32 177.061 177.061 176.076 0.985 19179 82 1 . 1 1 32 32 GLU CA C 32 58.728 58.728 58.276 0.452 19179 83 1 . 1 1 32 32 GLU CB C 32 30.433 30.433 29.386 1.047 19179 84 1 . 1 1 32 32 GLU H H 32 8.756 8.756 8.858 -0.102 19179 85 1 . 1 1 33 33 VAL N N 33 122.528 122.528 116.128 6.400 19179 86 1 . 1 1 33 33 VAL HA H 33 3.818 3.818 4.139 -0.320 19179 87 1 . 1 1 33 33 VAL C C 33 176.434 176.434 174.777 1.657 19179 88 1 . 1 1 33 33 VAL CA C 33 64.132 64.132 62.162 1.971 19179 89 1 . 1 1 33 33 VAL CB C 33 33.744 33.744 32.654 1.090 19179 90 1 . 1 1 33 33 VAL H H 33 8.935 8.935 7.751 1.184 19179 91 1 . 1 1 34 34 HIS N N 34 126.015 126.015 119.878 6.137 19179 92 1 . 1 1 34 34 HIS HA H 34 4.575 4.575 4.820 -0.245 19179 93 1 . 1 1 34 34 HIS C C 34 173.077 173.077 174.031 -0.954 19179 94 1 . 1 1 34 34 HIS CA C 34 56.635 56.635 53.733 2.902 19179 95 1 . 1 1 34 34 HIS CB C 34 28.789 28.789 29.405 -0.617 19179 96 1 . 1 1 34 34 HIS H H 34 8.834 8.834 7.669 1.165 19179 97 1 . 1 1 35 35 GLU N N 35 122.059 122.059 125.513 -3.454 19179 98 1 . 1 1 35 35 GLU HA H 35 4.097 4.097 4.228 -0.131 19179 99 1 . 1 1 35 35 GLU C C 35 178.839 178.839 177.280 1.559 19179 100 1 . 1 1 35 35 GLU CA C 35 58.068 58.068 57.412 0.656 19179 101 1 . 1 1 35 35 GLU CB C 35 29.733 29.733 29.717 0.016 19179 102 1 . 1 1 35 35 GLU H H 35 7.643 7.643 8.708 -1.065 19179 103 1 . 1 1 36 36 GLY N N 36 114.969 114.969 113.884 1.085 19179 104 1 . 1 1 36 36 GLY C C 36 173.165 173.165 174.456 -1.291 19179 105 1 . 1 1 36 36 GLY CA C 36 44.986 44.986 45.043 -0.057 19179 106 1 . 1 1 36 36 GLY H H 36 10.615 10.615 8.876 1.739 19179 107 1 . 1 1 37 37 THR N N 37 116.476 116.476 118.708 -2.232 19179 108 1 . 1 1 37 37 THR HA H 37 4.466 4.466 4.580 -0.114 19179 109 1 . 1 1 37 37 THR C C 37 172.121 172.121 173.170 -1.049 19179 110 1 . 1 1 37 37 THR CA C 37 62.490 62.490 62.787 -0.297 19179 111 1 . 1 1 37 37 THR CB C 37 68.752 68.752 69.411 -0.659 19179 112 1 . 1 1 37 37 THR H H 37 7.669 7.669 7.657 0.012 19179 113 1 . 1 1 38 38 TYR N N 38 124.951 124.951 123.988 0.963 19179 114 1 . 1 1 38 38 TYR HA H 38 5.635 5.635 4.724 0.911 19179 115 1 . 1 1 38 38 TYR C C 38 174.538 174.538 173.962 0.576 19179 116 1 . 1 1 38 38 TYR CA C 38 56.001 56.001 57.425 -1.425 19179 117 1 . 1 1 38 38 TYR CB C 38 42.611 42.611 43.248 -0.637 19179 118 1 . 1 1 38 38 TYR H H 38 8.622 8.622 8.601 0.021 19179 119 1 . 1 1 39 39 PHE N N 39 115.194 115.194 115.272 -0.078 19179 120 1 . 1 1 39 39 PHE HA H 39 5.084 5.084 4.997 0.087 19179 121 1 . 1 1 39 39 PHE C C 39 173.379 173.379 172.719 0.660 19179 122 1 . 1 1 39 39 PHE CA C 39 55.938 55.938 57.769 -1.831 19179 123 1 . 1 1 39 39 PHE CB C 39 39.220 39.220 40.362 -1.142 19179 124 1 . 1 1 39 39 PHE H H 39 8.483 8.483 8.802 -0.319 19179 125 1 . 1 1 40 40 SER N N 40 114.429 114.429 119.306 -4.877 19179 126 1 . 1 1 40 40 SER HA H 40 4.341 4.341 4.517 -0.176 19179 127 1 . 1 1 40 40 SER C C 40 173.355 173.355 174.532 -1.177 19179 128 1 . 1 1 40 40 SER CA C 40 60.726 60.726 57.061 3.665 19179 129 1 . 1 1 40 40 SER CB C 40 63.544 63.544 64.785 -1.241 19179 130 1 . 1 1 40 40 SER H H 40 9.519 9.519 8.569 0.950 19179 131 1 . 1 1 41 41 ASP N N 41 125.551 125.551 124.110 1.441 19179 132 1 . 1 1 41 41 ASP HA H 41 4.913 4.913 4.504 0.409 19179 133 1 . 1 1 41 41 ASP C C 41 176.230 176.230 176.061 0.169 19179 134 1 . 1 1 41 41 ASP CA C 41 53.739 53.739 55.252 -1.513 19179 135 1 . 1 1 41 41 ASP CB C 41 39.725 39.725 40.692 -0.967 19179 136 1 . 1 1 41 41 ASP H H 41 8.431 8.431 8.465 -0.034 19179 137 1 . 1 1 42 42 SER N N 42 114.674 114.674 119.950 -5.276 19179 138 1 . 1 1 42 42 SER HA H 42 4.370 4.370 4.387 -0.017 19179 139 1 . 1 1 42 42 SER C C 42 177.229 177.229 175.757 1.472 19179 140 1 . 1 1 42 42 SER CA C 42 59.770 59.770 59.619 0.151 19179 141 1 . 1 1 42 42 SER CB C 42 62.951 62.951 63.596 -0.645 19179 142 1 . 1 1 42 42 SER H H 42 9.001 9.001 8.261 0.740 19179 143 1 . 1 1 43 43 GLY N N 43 130.573 130.573 115.115 15.458 19179 144 1 . 1 1 43 43 GLY C C 43 172.823 172.823 173.764 -0.941 19179 145 1 . 1 1 43 43 GLY CA C 43 45.829 45.829 44.959 0.870 19179 146 1 . 1 1 43 43 GLY H H 43 8.261 8.261 8.925 -0.664 19179 147 1 . 1 1 44 44 ASP N N 44 120.029 120.029 121.142 -1.113 19179 148 1 . 1 1 44 44 ASP HA H 44 4.741 4.741 4.945 -0.204 19179 149 1 . 1 1 44 44 ASP C C 44 176.327 176.327 175.760 0.567 19179 150 1 . 1 1 44 44 ASP CA C 44 53.309 53.309 53.427 -0.118 19179 151 1 . 1 1 44 44 ASP CB C 44 40.067 40.067 41.658 -1.591 19179 152 1 . 1 1 44 44 ASP H H 44 8.583 8.583 7.813 0.770 19179 153 1 . 1 1 45 45 ILE N N 45 129.584 129.584 121.717 7.867 19179 154 1 . 1 1 45 45 ILE HA H 45 3.691 3.691 3.964 -0.273 19179 155 1 . 1 1 45 45 ILE C C 45 177.352 177.352 177.611 -0.259 19179 156 1 . 1 1 45 45 ILE CA C 45 64.967 64.967 63.359 1.608 19179 157 1 . 1 1 45 45 ILE CB C 45 37.813 37.813 38.346 -0.533 19179 158 1 . 1 1 45 45 ILE H H 45 8.589 8.589 8.334 0.255 19179 159 1 . 1 1 46 46 SER N N 46 117.808 117.808 115.677 2.131 19179 160 1 . 1 1 46 46 SER HA H 46 4.338 4.338 4.211 0.127 19179 161 1 . 1 1 46 46 SER C C 46 177.116 177.116 176.270 0.846 19179 162 1 . 1 1 46 46 SER CA C 46 61.744 61.744 61.225 0.519 19179 163 1 . 1 1 46 46 SER CB C 46 62.502 62.502 62.629 -0.127 19179 164 1 . 1 1 46 46 SER H H 46 8.275 8.275 8.291 -0.016 19179 165 1 . 1 1 47 47 GLU N N 47 121.839 121.839 122.407 -0.568 19179 166 1 . 1 1 47 47 GLU HA H 47 4.042 4.042 4.066 -0.024 19179 167 1 . 1 1 47 47 GLU C C 47 178.981 178.981 177.881 1.100 19179 168 1 . 1 1 47 47 GLU CA C 47 59.418 59.418 59.154 0.264 19179 169 1 . 1 1 47 47 GLU CB C 47 29.258 29.258 29.303 -0.045 19179 170 1 . 1 1 47 47 GLU H H 47 7.372 7.372 8.064 -0.692 19179 171 1 . 1 1 48 48 ALA N N 48 122.935 122.935 121.525 1.410 19179 172 1 . 1 1 48 48 ALA HA H 48 3.861 3.861 4.101 -0.240 19179 173 1 . 1 1 48 48 ALA C C 48 178.641 178.641 179.551 -0.910 19179 174 1 . 1 1 48 48 ALA CA C 48 55.325 55.325 55.190 0.135 19179 175 1 . 1 1 48 48 ALA CB C 48 17.392 17.392 18.403 -1.011 19179 176 1 . 1 1 48 48 ALA H H 48 6.925 6.925 7.654 -0.729 19179 177 1 . 1 1 49 49 GLU N N 49 118.249 118.249 119.441 -1.192 19179 178 1 . 1 1 49 49 GLU HA H 49 3.613 3.613 4.027 -0.414 19179 179 1 . 1 1 49 49 GLU C C 49 177.879 177.879 178.823 -0.944 19179 180 1 . 1 1 49 49 GLU CA C 49 60.322 60.322 59.151 1.171 19179 181 1 . 1 1 49 49 GLU CB C 49 28.868 28.868 29.112 -0.244 19179 182 1 . 1 1 49 49 GLU H H 49 8.288 8.288 7.881 0.407 19179 183 1 . 1 1 50 50 GLU N N 50 117.450 117.450 120.807 -3.357 19179 184 1 . 1 1 50 50 GLU HA H 50 3.922 3.922 4.077 -0.155 19179 185 1 . 1 1 50 50 GLU C C 50 179.532 179.532 179.045 0.487 19179 186 1 . 1 1 50 50 GLU CA C 50 59.753 59.753 59.213 0.540 19179 187 1 . 1 1 50 50 GLU CB C 50 29.028 29.028 29.649 -0.621 19179 188 1 . 1 1 50 50 GLU H H 50 8.108 8.108 8.092 0.016 19179 189 1 . 1 1 51 51 LEU N N 51 120.169 120.169 119.839 0.330 19179 190 1 . 1 1 51 51 LEU HA H 51 4.307 4.307 4.123 0.184 19179 191 1 . 1 1 51 51 LEU C C 51 178.285 178.285 178.835 -0.550 19179 192 1 . 1 1 51 51 LEU CA C 51 57.438 57.438 57.985 -0.547 19179 193 1 . 1 1 51 51 LEU CB C 51 40.766 40.766 41.433 -0.667 19179 194 1 . 1 1 51 51 LEU H H 51 7.835 7.835 8.458 -0.623 19179 195 1 . 1 1 52 52 ALA N N 52 121.167 121.167 122.328 -1.161 19179 196 1 . 1 1 52 52 ALA HA H 52 3.795 3.795 4.129 -0.334 19179 197 1 . 1 1 52 52 ALA C C 52 178.611 178.611 179.569 -0.958 19179 198 1 . 1 1 52 52 ALA CA C 52 55.647 55.647 54.986 0.661 19179 199 1 . 1 1 52 52 ALA CB C 52 18.176 18.176 18.471 -0.295 19179 200 1 . 1 1 52 52 ALA H H 52 8.286 8.286 8.263 0.023 19179 201 1 . 1 1 53 53 ARG N N 53 115.092 115.092 119.367 -4.275 19179 202 1 . 1 1 53 53 ARG HA H 53 3.727 3.727 4.181 -0.454 19179 203 1 . 1 1 53 53 ARG C C 53 179.136 179.136 178.391 0.745 19179 204 1 . 1 1 53 53 ARG CA C 53 60.608 60.608 59.408 1.200 19179 205 1 . 1 1 53 53 ARG CB C 53 29.520 29.520 29.953 -0.433 19179 206 1 . 1 1 53 53 ARG H H 53 7.957 7.957 8.428 -0.471 19179 207 1 . 1 1 54 54 GLU N N 54 122.263 122.263 119.842 2.421 19179 208 1 . 1 1 54 54 GLU HA H 54 4.064 4.064 4.108 -0.044 19179 209 1 . 1 1 54 54 GLU C C 54 179.159 179.159 178.744 0.415 19179 210 1 . 1 1 54 54 GLU CA C 54 59.418 59.418 59.086 0.332 19179 211 1 . 1 1 54 54 GLU CB C 54 29.888 29.888 29.425 0.463 19179 212 1 . 1 1 54 54 GLU H H 54 8.089 8.089 8.209 -0.121 19179 213 1 . 1 1 55 55 LYS N N 55 118.511 118.511 119.749 -1.238 19179 214 1 . 1 1 55 55 LYS HA H 55 3.810 3.810 4.035 -0.225 19179 215 1 . 1 1 55 55 LYS C C 55 179.078 179.078 179.037 0.041 19179 216 1 . 1 1 55 55 LYS CA C 55 59.810 59.810 59.109 0.701 19179 217 1 . 1 1 55 55 LYS CB C 55 32.743 32.743 32.245 0.498 19179 218 1 . 1 1 55 55 LYS H H 55 9.118 9.118 8.177 0.941 19179 219 1 . 1 1 56 56 PHE N N 56 119.918 119.918 118.336 1.582 19179 220 1 . 1 1 56 56 PHE HA H 56 3.862 3.862 4.393 -0.531 19179 221 1 . 1 1 56 56 PHE H H 56 8.456 8.456 8.549 -0.093 19179 222 1 . 1 1 57 57 GLU N N 57 121.819 121.819 119.910 1.909 19179 223 1 . 1 1 57 57 GLU HA H 57 4.128 4.128 3.955 0.173 19179 224 1 . 1 1 57 57 GLU C C 57 177.889 177.889 177.782 0.107 19179 225 1 . 1 1 57 57 GLU CA C 57 59.238 59.238 58.381 0.857 19179 226 1 . 1 1 57 57 GLU CB C 57 29.483 29.483 29.088 0.395 19179 227 1 . 1 1 57 57 GLU H H 57 8.153 8.153 7.868 0.285 19179 228 1 . 1 1 58 58 LYS N N 58 115.784 115.784 117.768 -1.984 19179 229 1 . 1 1 58 58 LYS HA H 58 4.267 4.267 4.281 -0.014 19179 230 1 . 1 1 58 58 LYS C C 58 176.710 176.710 176.348 0.362 19179 231 1 . 1 1 58 58 LYS CA C 58 56.742 56.742 55.907 0.835 19179 232 1 . 1 1 58 58 LYS CB C 58 33.027 33.027 32.830 0.197 19179 233 1 . 1 1 58 58 LYS H H 58 7.684 7.684 7.805 -0.121 19179 234 1 . 1 1 59 59 GLY N N 59 130.075 130.075 108.269 21.806 19179 235 1 . 1 1 59 59 GLY C C 59 175.969 175.969 173.210 2.759 19179 236 1 . 1 1 59 59 GLY CA C 59 46.330 46.330 45.126 1.205 19179 237 1 . 1 1 59 59 GLY H H 59 7.644 7.644 7.614 0.030 19179 238 1 . 1 1 60 60 GLU N N 60 117.714 117.714 121.197 -3.483 19179 239 1 . 1 1 60 60 GLU HA H 60 4.339 4.339 4.336 0.003 19179 240 1 . 1 1 60 60 GLU C C 60 175.359 175.359 175.536 -0.177 19179 241 1 . 1 1 60 60 GLU CA C 60 55.533 55.533 55.820 -0.287 19179 242 1 . 1 1 60 60 GLU CB C 60 30.356 30.356 31.174 -0.818 19179 243 1 . 1 1 60 60 GLU H H 60 8.008 8.008 8.233 -0.225 19179 244 1 . 1 1 61 61 VAL N N 61 120.144 120.144 119.484 0.660 19179 245 1 . 1 1 61 61 VAL HA H 61 4.522 4.522 4.267 0.255 19179 246 1 . 1 1 61 61 VAL C C 61 176.175 176.175 175.556 0.619 19179 247 1 . 1 1 61 61 VAL CA C 61 61.267 61.267 61.572 -0.305 19179 248 1 . 1 1 61 61 VAL CB C 61 33.686 33.686 33.200 0.486 19179 249 1 . 1 1 61 61 VAL H H 61 7.745 7.745 8.168 -0.423 19179 250 1 . 1 1 62 62 SER N N 62 126.283 126.283 118.879 7.404 19179 251 1 . 1 1 62 62 SER HA H 62 4.644 4.644 4.423 0.221 19179 252 1 . 1 1 62 62 SER C C 62 176.781 176.781 174.694 2.087 19179 253 1 . 1 1 62 62 SER CA C 62 60.796 60.796 59.567 1.229 19179 254 1 . 1 1 62 62 SER CB C 62 65.061 65.061 63.273 1.788 19179 255 1 . 1 1 62 62 SER H H 62 11.396 11.396 8.670 2.726 19179 256 1 . 1 1 63 63 ASN N N 63 118.526 118.526 118.517 0.009 19179 257 1 . 1 1 63 63 ASN HA H 63 4.732 4.732 4.658 0.074 19179 258 1 . 1 1 63 63 ASN C C 63 172.632 172.632 174.967 -2.335 19179 259 1 . 1 1 63 63 ASN CA C 63 54.586 54.586 53.589 0.997 19179 260 1 . 1 1 63 63 ASN CB C 63 39.772 39.772 38.688 1.084 19179 261 1 . 1 1 63 63 ASN H H 63 10.333 10.333 8.242 2.091 19179 262 1 . 1 1 64 64 PHE N N 64 112.992 112.992 118.081 -5.089 19179 263 1 . 1 1 64 64 PHE HA H 64 4.866 4.866 4.376 0.490 19179 264 1 . 1 1 64 64 PHE C C 64 174.310 174.310 174.859 -0.549 19179 265 1 . 1 1 64 64 PHE CA C 64 56.626 56.626 58.304 -1.678 19179 266 1 . 1 1 64 64 PHE CB C 64 42.883 42.883 38.768 4.115 19179 267 1 . 1 1 64 64 PHE H H 64 6.971 6.971 8.061 -1.090 19179 268 1 . 1 1 65 65 ASP HA H 65 4.888 4.888 4.360 0.528 19179 269 1 . 1 1 65 65 ASP C C 65 175.049 175.049 175.453 -0.404 19179 270 1 . 1 1 65 65 ASP CA C 65 53.647 53.647 54.571 -0.924 19179 271 1 . 1 1 65 65 ASP CB C 65 41.367 41.367 41.560 -0.193 19179 272 1 . 1 1 66 66 ASP N N 66 119.568 119.568 119.182 0.386 19179 273 1 . 1 1 66 66 ASP HA H 66 4.861 4.861 4.696 0.165 19179 274 1 . 1 1 66 66 ASP C C 66 175.858 175.858 176.774 -0.916 19179 275 1 . 1 1 66 66 ASP CA C 66 52.663 52.663 53.760 -1.097 19179 276 1 . 1 1 66 66 ASP CB C 66 44.261 44.261 42.412 1.849 19179 277 1 . 1 1 66 66 ASP H H 66 7.413 7.413 8.085 -0.672 19179 278 1 . 1 1 67 67 VAL N N 67 127.826 127.826 123.387 4.439 19179 279 1 . 1 1 67 67 VAL HA H 67 2.982 2.982 3.694 -0.711 19179 280 1 . 1 1 67 67 VAL C C 67 175.173 175.173 176.956 -1.783 19179 281 1 . 1 1 67 67 VAL CA C 67 64.211 64.211 66.075 -1.864 19179 282 1 . 1 1 67 67 VAL CB C 67 30.848 30.848 32.185 -1.337 19179 283 1 . 1 1 67 67 VAL H H 67 8.298 8.298 8.373 -0.075 19179 284 1 . 1 1 68 68 GLU N N 68 120.580 120.580 119.070 1.510 19179 285 1 . 1 1 68 68 GLU HA H 68 4.049 4.049 3.976 0.073 19179 286 1 . 1 1 68 68 GLU C C 68 180.052 180.052 178.643 1.409 19179 287 1 . 1 1 68 68 GLU CA C 68 57.858 57.858 59.935 -2.077 19179 288 1 . 1 1 68 68 GLU CB C 68 27.404 27.404 28.971 -1.567 19179 289 1 . 1 1 68 68 GLU H H 68 7.909 7.909 8.645 -0.736 19179 290 1 . 1 1 69 69 GLU N N 69 121.347 121.347 119.924 1.423 19179 291 1 . 1 1 69 69 GLU HA H 69 3.932 3.932 4.118 -0.186 19179 292 1 . 1 1 69 69 GLU C C 69 179.095 179.095 178.700 0.395 19179 293 1 . 1 1 69 69 GLU CA C 69 58.987 58.987 58.759 0.228 19179 294 1 . 1 1 69 69 GLU CB C 69 29.520 29.520 29.293 0.227 19179 295 1 . 1 1 69 69 GLU H H 69 7.669 7.669 8.169 -0.500 19179 296 1 . 1 1 70 70 LEU N N 70 120.330 120.330 120.892 -0.562 19179 297 1 . 1 1 70 70 LEU HA H 70 2.945 2.945 3.965 -1.020 19179 298 1 . 1 1 70 70 LEU C C 70 177.014 177.014 178.887 -1.873 19179 299 1 . 1 1 70 70 LEU CA C 70 57.479 57.479 58.156 -0.677 19179 300 1 . 1 1 70 70 LEU CB C 70 40.244 40.244 41.671 -1.427 19179 301 1 . 1 1 70 70 LEU H H 70 7.184 7.184 8.124 -0.940 19179 302 1 . 1 1 71 71 VAL N N 71 118.625 118.625 115.488 3.137 19179 303 1 . 1 1 71 71 VAL HA H 71 3.070 3.070 3.603 -0.533 19179 304 1 . 1 1 71 71 VAL C C 71 177.049 177.049 177.766 -0.717 19179 305 1 . 1 1 71 71 VAL CA C 71 67.888 67.888 66.246 1.642 19179 306 1 . 1 1 71 71 VAL CB C 71 31.395 31.395 30.814 0.581 19179 307 1 . 1 1 71 71 VAL H H 71 8.262 8.262 8.472 -0.210 19179 308 1 . 1 1 72 72 LYS N N 72 116.770 116.770 120.055 -3.285 19179 309 1 . 1 1 72 72 LYS HA H 72 3.837 3.837 3.994 -0.157 19179 310 1 . 1 1 72 72 LYS C C 72 179.439 179.439 178.837 0.601 19179 311 1 . 1 1 72 72 LYS CA C 72 59.954 59.954 59.441 0.513 19179 312 1 . 1 1 72 72 LYS CB C 72 32.619 32.619 31.950 0.669 19179 313 1 . 1 1 72 72 LYS H H 72 7.791 7.791 7.957 -0.166 19179 314 1 . 1 1 73 73 LYS N N 73 121.221 121.221 119.202 2.018 19179 315 1 . 1 1 73 73 LYS HA H 73 4.216 4.216 4.099 0.117 19179 316 1 . 1 1 73 73 LYS C C 73 177.539 177.539 179.016 -1.477 19179 317 1 . 1 1 73 73 LYS CA C 73 57.324 57.324 58.975 -1.651 19179 318 1 . 1 1 73 73 LYS CB C 73 31.906 31.906 32.175 -0.269 19179 319 1 . 1 1 73 73 LYS H H 73 7.796 7.796 7.863 -0.067 19179 320 1 . 1 1 74 74 VAL N N 74 119.691 119.691 121.125 -1.434 19179 321 1 . 1 1 74 74 VAL HA H 74 3.415 3.415 3.725 -0.310 19179 322 1 . 1 1 74 74 VAL C C 74 177.638 177.638 177.796 -0.158 19179 323 1 . 1 1 74 74 VAL CA C 74 66.863 66.863 66.954 -0.091 19179 324 1 . 1 1 74 74 VAL H H 74 8.445 8.445 8.119 0.326 19179 325 1 . 1 1 75 75 VAL N N 75 120.095 120.095 119.986 0.109 19179 326 1 . 1 1 75 75 VAL HA H 75 3.352 3.352 3.718 -0.366 19179 327 1 . 1 1 75 75 VAL C C 75 177.621 177.621 177.348 0.273 19179 328 1 . 1 1 75 75 VAL CA C 75 67.759 67.759 65.674 2.085 19179 329 1 . 1 1 75 75 VAL CB C 75 29.156 29.156 31.371 -2.215 19179 330 1 . 1 1 75 75 VAL H H 75 8.521 8.521 8.371 0.150 19179 331 1 . 1 1 76 76 ALA N N 76 120.276 120.276 122.747 -2.471 19179 332 1 . 1 1 76 76 ALA HA H 76 4.191 4.191 4.022 0.169 19179 333 1 . 1 1 76 76 ALA C C 76 181.968 181.968 179.639 2.329 19179 334 1 . 1 1 76 76 ALA CA C 76 55.481 55.481 55.381 0.100 19179 335 1 . 1 1 76 76 ALA CB C 76 18.395 18.395 18.212 0.183 19179 336 1 . 1 1 76 76 ALA H H 76 7.839 7.839 8.015 -0.176 19179 337 1 . 1 1 77 77 VAL N N 77 114.746 114.746 118.682 -3.936 19179 338 1 . 1 1 77 77 VAL HA H 77 4.018 4.018 3.691 0.327 19179 339 1 . 1 1 77 77 VAL C C 77 178.133 178.133 177.668 0.465 19179 340 1 . 1 1 77 77 VAL CA C 77 65.530 65.530 66.059 -0.529 19179 341 1 . 1 1 77 77 VAL CB C 77 30.943 30.943 31.556 -0.613 19179 342 1 . 1 1 77 77 VAL H H 77 8.662 8.662 7.976 0.685 19179 343 1 . 1 1 78 78 CYS N N 78 119.096 119.096 118.450 0.646 19179 344 1 . 1 1 78 78 CYS HA H 78 3.991 3.991 3.935 0.057 19179 345 1 . 1 1 78 78 CYS C C 78 177.621 177.621 176.789 0.832 19179 346 1 . 1 1 78 78 CYS CA C 78 64.776 64.776 63.333 1.443 19179 347 1 . 1 1 78 78 CYS CB C 78 27.340 27.340 27.229 0.111 19179 348 1 . 1 1 78 78 CYS H H 78 7.740 7.740 8.310 -0.570 19179 349 1 . 1 1 79 79 GLU N N 79 118.797 118.797 119.297 -0.500 19179 350 1 . 1 1 79 79 GLU HA H 79 4.036 4.036 4.103 -0.067 19179 351 1 . 1 1 79 79 GLU C C 79 179.135 179.135 178.963 0.172 19179 352 1 . 1 1 79 79 GLU CA C 79 58.900 58.900 58.762 0.138 19179 353 1 . 1 1 79 79 GLU CB C 79 29.710 29.710 29.361 0.349 19179 354 1 . 1 1 79 79 GLU H H 79 8.106 8.106 8.222 -0.116 19179 355 1 . 1 1 80 80 GLU N N 80 119.483 119.483 119.997 -0.514 19179 356 1 . 1 1 80 80 GLU HA H 80 3.621 3.621 4.144 -0.523 19179 357 1 . 1 1 80 80 GLU C C 80 177.433 177.433 178.025 -0.592 19179 358 1 . 1 1 80 80 GLU CA C 80 58.711 58.711 58.409 0.302 19179 359 1 . 1 1 80 80 GLU CB C 80 30.658 30.658 29.630 1.028 19179 360 1 . 1 1 80 80 GLU H H 80 8.167 8.167 8.192 -0.025 19179 361 1 . 1 1 81 81 LEU N N 81 117.475 117.475 117.683 -0.208 19179 362 1 . 1 1 81 81 LEU HA H 81 4.652 4.652 4.298 0.354 19179 363 1 . 1 1 81 81 LEU C C 81 177.355 177.355 176.987 0.368 19179 364 1 . 1 1 81 81 LEU CA C 81 54.409 54.409 54.878 -0.469 19179 365 1 . 1 1 81 81 LEU CB C 81 41.453 41.453 42.498 -1.045 19179 366 1 . 1 1 81 81 LEU H H 81 8.145 8.145 7.686 0.459 19179 367 1 . 1 1 82 82 GLY N N 82 127.998 127.998 107.385 20.613 19179 368 1 . 1 1 82 82 GLY C C 82 175.024 175.024 173.817 1.207 19179 369 1 . 1 1 82 82 GLY CA C 82 47.639 47.639 45.842 1.797 19179 370 1 . 1 1 82 82 GLY H H 82 7.218 7.218 7.504 -0.286 19179 371 1 . 1 1 83 83 ALA N N 83 126.068 126.068 121.708 4.360 19179 372 1 . 1 1 83 83 ALA HA H 83 4.501 4.501 4.648 -0.147 19179 373 1 . 1 1 83 83 ALA C C 83 177.567 177.567 175.907 1.660 19179 374 1 . 1 1 83 83 ALA CA C 83 52.104 52.104 51.359 0.745 19179 375 1 . 1 1 83 83 ALA CB C 83 20.574 20.574 21.303 -0.729 19179 376 1 . 1 1 83 83 ALA H H 83 8.202 8.202 7.515 0.687 19179 377 1 . 1 1 84 84 GLU N N 84 118.661 118.661 122.264 -3.603 19179 378 1 . 1 1 84 84 GLU HA H 84 4.252 4.252 4.740 -0.488 19179 379 1 . 1 1 84 84 GLU C C 84 175.915 175.915 175.568 0.347 19179 380 1 . 1 1 84 84 GLU CA C 84 58.671 58.671 55.860 2.811 19179 381 1 . 1 1 84 84 GLU CB C 84 30.666 30.666 31.182 -0.516 19179 382 1 . 1 1 84 84 GLU H H 84 9.004 9.004 8.948 0.056 19179 383 1 . 1 1 85 85 GLU N N 85 111.162 111.162 116.971 -5.809 19179 384 1 . 1 1 85 85 GLU HA H 85 3.881 3.881 4.293 -0.412 19179 385 1 . 1 1 85 85 GLU C C 85 173.815 173.815 174.175 -0.360 19179 386 1 . 1 1 85 85 GLU CA C 85 53.657 53.657 56.241 -2.584 19179 387 1 . 1 1 85 85 GLU CB C 85 32.364 32.364 31.838 0.526 19179 388 1 . 1 1 85 85 GLU H H 85 7.318 7.318 8.159 -0.841 19179 389 1 . 1 1 86 86 CYS N N 86 122.106 122.106 122.092 0.014 19179 390 1 . 1 1 86 86 CYS HA H 86 4.078 4.078 4.797 -0.719 19179 391 1 . 1 1 86 86 CYS C C 86 177.088 177.088 175.778 1.310 19179 392 1 . 1 1 86 86 CYS CA C 86 59.470 59.470 57.338 2.132 19179 393 1 . 1 1 86 86 CYS CB C 86 29.441 29.441 25.545 3.896 19179 394 1 . 1 1 86 86 CYS H H 86 8.035 8.035 8.588 -0.553 19179 395 1 . 1 1 87 87 PHE N N 87 129.406 129.406 126.465 2.941 19179 396 1 . 1 1 87 87 PHE HA H 87 4.492 4.492 4.316 0.176 19179 397 1 . 1 1 87 87 PHE C C 87 176.921 176.921 176.796 0.125 19179 398 1 . 1 1 87 87 PHE CA C 87 59.597 59.597 59.842 -0.245 19179 399 1 . 1 1 87 87 PHE CB C 87 38.939 38.939 38.791 0.148 19179 400 1 . 1 1 87 87 PHE H H 87 8.292 8.292 8.580 -0.288 19179 401 1 . 1 1 88 88 SER N N 88 118.356 118.356 116.229 2.127 19179 402 1 . 1 1 88 88 SER HA H 88 4.131 4.131 4.181 -0.050 19179 403 1 . 1 1 88 88 SER C C 88 174.940 174.940 176.403 -1.463 19179 404 1 . 1 1 88 88 SER CA C 88 60.832 60.832 61.113 -0.281 19179 405 1 . 1 1 88 88 SER CB C 88 62.143 62.143 62.286 -0.143 19179 406 1 . 1 1 88 88 SER H H 88 8.436 8.436 8.172 0.264 19179 407 1 . 1 1 89 89 CYS N N 89 125.476 125.476 119.034 6.442 19179 408 1 . 1 1 89 89 CYS HA H 89 4.113 4.113 4.417 -0.304 19179 409 1 . 1 1 89 89 CYS C C 89 174.660 174.660 176.009 -1.349 19179 410 1 . 1 1 89 89 CYS CA C 89 63.763 63.763 61.188 2.575 19179 411 1 . 1 1 89 89 CYS CB C 89 30.435 30.435 26.609 3.826 19179 412 1 . 1 1 89 89 CYS H H 89 7.699 7.699 8.016 -0.317 19179 413 1 . 1 1 90 90 ASP N N 90 119.756 119.756 117.970 1.786 19179 414 1 . 1 1 90 90 ASP HA H 90 4.517 4.517 4.705 -0.189 19179 415 1 . 1 1 90 90 ASP C C 90 175.429 175.429 175.571 -0.142 19179 416 1 . 1 1 90 90 ASP CA C 90 54.042 54.042 54.066 -0.024 19179 417 1 . 1 1 90 90 ASP CB C 90 42.007 42.007 41.603 0.404 19179 418 1 . 1 1 90 90 ASP H H 90 7.569 7.569 7.997 -0.428 19179 419 1 . 1 1 91 91 PHE N N 91 120.531 120.531 121.210 -0.679 19179 420 1 . 1 1 91 91 PHE HA H 91 4.629 4.629 4.445 0.184 19179 421 1 . 1 1 91 91 PHE C C 91 174.893 174.893 174.541 0.352 19179 422 1 . 1 1 91 91 PHE CA C 91 57.260 57.260 57.919 -0.659 19179 423 1 . 1 1 91 91 PHE CB C 91 39.545 39.545 40.118 -0.573 19179 424 1 . 1 1 91 91 PHE H H 91 7.910 7.910 7.677 0.233 19179 stop_ save_