data_19433 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19433 _Entry.PDB_ID 2MCA 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 19433 _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 2 2 ALA HA H 2 4.231 4.231 4.772 -0.541 19433 2 1 1 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.598 -1.065 19433 3 1 1 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.425 -3.781 19433 4 1 1 . 1 1 3 3 GLN N N 3 118.180 118.180 119.332 -1.152 19433 5 1 1 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.326 -0.058 19433 6 1 1 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.832 -3.393 19433 7 1 1 . 1 1 3 3 GLN H H 3 8.579 8.579 8.695 -0.116 19433 8 1 1 . 1 1 4 4 ASP N N 4 120.328 120.328 119.132 1.196 19433 9 1 1 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.740 -0.243 19433 10 1 1 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.425 -1.660 19433 11 1 1 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.352 -2.830 19433 12 1 1 . 1 1 4 4 ASP H H 4 8.061 8.061 8.230 -0.169 19433 13 1 1 . 1 1 5 5 GLY N N 5 109.114 109.114 110.189 -1.075 19433 14 1 1 . 1 1 5 5 GLY CA C 5 43.030 43.030 44.829 -1.799 19433 15 1 1 . 1 1 5 5 GLY H H 5 8.322 8.322 8.344 -0.022 19433 16 1 1 . 1 1 6 6 LYS N N 6 120.397 120.397 120.752 -0.355 19433 17 1 1 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.270 0.027 19433 18 1 1 . 1 1 6 6 LYS CA C 6 53.319 53.319 55.459 -2.140 19433 19 1 1 . 1 1 6 6 LYS CB C 6 30.441 30.441 29.993 0.448 19433 20 1 1 . 1 1 6 6 LYS H H 6 8.030 8.030 7.966 0.064 19433 21 1 1 . 1 1 7 7 GLU N N 7 122.113 122.113 119.560 2.553 19433 22 1 1 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.487 -0.192 19433 23 1 1 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.309 -3.022 19433 24 1 1 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.640 -2.883 19433 25 1 1 . 1 1 7 7 GLU H H 7 8.464 8.464 8.204 0.260 19433 26 1 1 . 1 1 8 8 THR N N 8 114.459 114.459 111.016 3.443 19433 27 1 1 . 1 1 8 8 THR HA H 8 4.543 4.543 4.779 -0.236 19433 28 1 1 . 1 1 8 8 THR CA C 8 57.966 57.966 59.937 -1.971 19433 29 1 1 . 1 1 8 8 THR CB C 8 68.123 68.123 71.626 -3.503 19433 30 1 1 . 1 1 8 8 THR H H 8 7.984 7.984 7.448 0.536 19433 31 1 1 . 1 1 9 9 THR N N 9 116.229 116.229 114.698 1.531 19433 32 1 1 . 1 1 9 9 THR HA H 9 4.584 4.584 4.352 0.232 19433 33 1 1 . 1 1 9 9 THR CA C 9 58.575 58.575 61.075 -2.500 19433 34 1 1 . 1 1 9 9 THR CB C 9 67.866 67.866 69.755 -1.889 19433 35 1 1 . 1 1 9 9 THR H H 9 8.140 8.140 8.347 -0.207 19433 36 1 1 . 1 1 10 10 THR N N 10 118.509 118.509 116.330 2.179 19433 37 1 1 . 1 1 10 10 THR HA H 10 4.563 4.563 4.664 -0.101 19433 38 1 1 . 1 1 10 10 THR CA C 10 59.364 59.364 61.928 -2.564 19433 39 1 1 . 1 1 10 10 THR CB C 10 68.411 68.411 70.766 -2.355 19433 40 1 1 . 1 1 10 10 THR H H 10 8.544 8.544 8.504 0.040 19433 41 1 1 . 1 1 11 11 ILE N N 11 126.772 126.772 122.728 4.044 19433 42 1 1 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.594 -0.569 19433 43 1 1 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.476 -2.153 19433 44 1 1 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.294 -4.954 19433 45 1 1 . 1 1 11 11 ILE H H 11 8.595 8.595 8.411 0.185 19433 46 1 1 . 1 1 12 12 ARG N N 12 125.922 125.922 126.403 -0.481 19433 47 1 1 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.798 0.195 19433 48 1 1 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.244 -3.354 19433 49 1 1 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.172 -2.208 19433 50 1 1 . 1 1 12 12 ARG H H 12 8.031 8.031 8.323 -0.292 19433 51 1 1 . 1 1 13 13 LEU N N 13 126.771 126.771 126.532 0.239 19433 52 1 1 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.567 0.376 19433 53 1 1 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.426 -3.800 19433 54 1 1 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.466 -1.433 19433 55 1 1 . 1 1 13 13 LEU H H 13 8.828 8.828 9.020 -0.192 19433 56 1 1 . 1 1 14 14 ILE N N 14 123.438 123.438 121.301 2.137 19433 57 1 1 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.646 -0.469 19433 58 1 1 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.337 -1.823 19433 59 1 1 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.671 -2.004 19433 60 1 1 . 1 1 14 14 ILE H H 14 8.847 8.847 8.665 0.182 19433 61 1 1 . 1 1 15 15 ASN N N 15 123.130 123.130 123.815 -0.685 19433 62 1 1 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.775 0.105 19433 63 1 1 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.655 -2.987 19433 64 1 1 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.195 -3.374 19433 65 1 1 . 1 1 15 15 ASN H H 15 8.446 8.446 8.960 -0.514 19433 66 1 1 . 1 1 16 16 GLN N N 16 125.061 125.061 122.513 2.548 19433 67 1 1 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.061 1.470 19433 68 1 1 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.248 -3.088 19433 69 1 1 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.621 0.283 19433 70 1 1 . 1 1 16 16 GLN H H 16 9.063 9.063 7.945 1.118 19433 71 1 1 . 1 1 17 17 THR N N 17 110.936 110.936 113.215 -2.279 19433 72 1 1 . 1 1 17 17 THR HA H 17 4.415 4.415 4.222 0.193 19433 73 1 1 . 1 1 17 17 THR CA C 17 58.240 58.240 59.648 -1.408 19433 74 1 1 . 1 1 17 17 THR CB C 17 67.913 67.913 70.224 -2.311 19433 75 1 1 . 1 1 17 17 THR H H 17 7.765 7.765 7.985 -0.220 19433 76 1 1 . 1 1 18 18 TYR N N 18 112.380 112.380 116.988 -4.608 19433 77 1 1 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.751 -0.396 19433 78 1 1 . 1 1 18 18 TYR CA C 18 54.029 54.029 54.667 -0.638 19433 79 1 1 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.050 -2.483 19433 80 1 1 . 1 1 18 18 TYR H H 18 6.950 6.950 7.998 -1.048 19433 81 1 1 . 1 1 19 19 PHE N N 19 119.710 119.710 116.675 3.035 19433 82 1 1 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.974 0.022 19433 83 1 1 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.941 -2.931 19433 84 1 1 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.921 -1.450 19433 85 1 1 . 1 1 19 19 PHE H H 19 8.014 8.014 6.812 1.202 19433 86 1 1 . 1 1 20 20 ASN N N 20 117.921 117.921 117.137 0.784 19433 87 1 1 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.480 -0.791 19433 88 1 1 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.118 -0.081 19433 89 1 1 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.679 -5.373 19433 90 1 1 . 1 1 20 20 ASN H H 20 8.724 8.724 8.524 0.200 19433 91 1 1 . 1 1 21 21 VAL N N 21 115.311 115.311 114.906 0.405 19433 92 1 1 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.845 0.039 19433 93 1 1 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.577 -2.076 19433 94 1 1 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.985 -4.140 19433 95 1 1 . 1 1 21 21 VAL H H 21 8.186 8.186 8.889 -0.703 19433 96 1 1 . 1 1 22 22 LYS N N 22 119.772 119.772 119.097 0.675 19433 97 1 1 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.745 0.257 19433 98 1 1 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.975 -4.442 19433 99 1 1 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.490 0.775 19433 100 1 1 . 1 1 22 22 LYS H H 22 9.331 9.331 8.493 0.838 19433 101 1 1 . 1 1 23 23 ASN N N 23 116.781 116.781 115.441 1.340 19433 102 1 1 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.821 -0.618 19433 103 1 1 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.752 -1.819 19433 104 1 1 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.957 -4.437 19433 105 1 1 . 1 1 23 23 ASN H H 23 8.573 8.573 8.168 0.405 19433 106 1 1 . 1 1 24 24 ILE N N 24 118.303 118.303 122.280 -3.977 19433 107 1 1 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.365 0.379 19433 108 1 1 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.330 -3.786 19433 109 1 1 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.032 -1.796 19433 110 1 1 . 1 1 24 24 ILE H H 24 8.329 8.329 7.721 0.608 19433 111 1 1 . 1 1 25 25 LYS N N 25 129.189 129.189 128.886 0.303 19433 112 1 1 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.825 0.061 19433 113 1 1 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.824 -3.063 19433 114 1 1 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.707 -2.060 19433 115 1 1 . 1 1 25 25 LYS H H 25 9.102 9.102 8.897 0.205 19433 116 1 1 . 1 1 26 26 VAL N N 26 129.283 129.283 121.228 8.055 19433 117 1 1 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.765 0.201 19433 118 1 1 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.509 -1.410 19433 119 1 1 . 1 1 26 26 VAL CB C 26 31.370 31.370 34.830 -3.460 19433 120 1 1 . 1 1 26 26 VAL H H 26 9.057 9.057 8.871 0.186 19433 121 1 1 . 1 1 27 27 THR N N 27 120.185 120.185 119.768 0.417 19433 122 1 1 . 1 1 27 27 THR HA H 27 5.542 5.542 5.305 0.237 19433 123 1 1 . 1 1 27 27 THR CA C 27 56.977 56.977 62.176 -5.199 19433 124 1 1 . 1 1 27 27 THR CB C 27 68.220 68.220 71.572 -3.352 19433 125 1 1 . 1 1 27 27 THR H H 27 9.177 9.177 8.388 0.789 19433 126 1 1 . 1 1 28 28 TRP N N 28 123.046 123.046 123.623 -0.577 19433 127 1 1 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.382 0.008 19433 128 1 1 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.765 -2.148 19433 129 1 1 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.637 -1.675 19433 130 1 1 . 1 1 28 28 TRP H H 28 8.787 8.787 8.939 -0.152 19433 131 1 1 . 1 1 29 29 ASN N N 29 116.792 116.792 118.031 -1.239 19433 132 1 1 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.705 -1.289 19433 133 1 1 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.314 -1.049 19433 134 1 1 . 1 1 29 29 ASN CB C 29 34.179 34.179 40.856 -6.677 19433 135 1 1 . 1 1 29 29 ASN H H 29 8.193 8.193 7.349 0.844 19433 136 1 1 . 1 1 30 30 ASP N N 30 118.710 118.710 122.232 -3.522 19433 137 1 1 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.742 -0.225 19433 138 1 1 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.778 -3.316 19433 139 1 1 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.314 -2.816 19433 140 1 1 . 1 1 30 30 ASP H H 30 8.937 8.937 8.523 0.414 19433 141 1 1 . 1 1 31 31 GLY N N 31 106.542 106.542 110.744 -4.202 19433 142 1 1 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.014 -1.548 19433 143 1 1 . 1 1 31 31 GLY H H 31 7.594 7.594 8.010 -0.416 19433 144 1 1 . 1 1 32 32 LYS N N 32 121.904 121.904 122.897 -0.993 19433 145 1 1 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.102 -0.213 19433 146 1 1 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.778 -1.953 19433 147 1 1 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.505 -3.375 19433 148 1 1 . 1 1 32 32 LYS H H 32 7.510 7.510 7.791 -0.281 19433 149 1 1 . 1 1 33 33 GLU N N 33 119.124 119.124 122.161 -3.037 19433 150 1 1 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.222 0.058 19433 151 1 1 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.126 -1.795 19433 152 1 1 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.150 -1.441 19433 153 1 1 . 1 1 33 33 GLU H H 33 7.843 7.843 7.894 -0.051 19433 154 1 1 . 1 1 34 34 GLN N N 34 123.230 123.230 117.820 5.410 19433 155 1 1 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.767 -0.344 19433 156 1 1 . 1 1 34 34 GLN CA C 34 52.297 52.297 55.091 -2.794 19433 157 1 1 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.687 -1.445 19433 158 1 1 . 1 1 34 34 GLN H H 34 9.114 9.114 8.962 0.152 19433 159 1 1 . 1 1 35 35 THR N N 35 119.194 119.194 111.788 7.406 19433 160 1 1 . 1 1 35 35 THR HA H 35 5.241 5.241 5.481 -0.240 19433 161 1 1 . 1 1 35 35 THR CA C 35 58.075 58.075 59.648 -1.573 19433 162 1 1 . 1 1 35 35 THR CB C 35 67.936 67.936 71.925 -3.989 19433 163 1 1 . 1 1 35 35 THR H H 35 8.397 8.397 8.198 0.199 19433 164 1 1 . 1 1 36 36 VAL N N 36 126.317 126.317 120.907 5.410 19433 165 1 1 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.262 -0.096 19433 166 1 1 . 1 1 36 36 VAL CA C 36 58.296 58.296 59.672 -1.376 19433 167 1 1 . 1 1 36 36 VAL CB C 36 31.785 31.785 34.380 -2.595 19433 168 1 1 . 1 1 36 36 VAL H H 36 8.976 8.976 8.366 0.610 19433 169 1 1 . 1 1 37 37 ASN N N 37 126.536 126.536 125.526 1.010 19433 170 1 1 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.458 -0.097 19433 171 1 1 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.779 -0.685 19433 172 1 1 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.846 -3.092 19433 173 1 1 . 1 1 37 37 ASN H H 37 8.974 8.974 8.947 0.027 19433 174 1 1 . 1 1 38 38 THR N N 38 112.460 112.460 111.135 1.325 19433 175 1 1 . 1 1 38 38 THR HA H 38 4.850 4.850 4.684 0.166 19433 176 1 1 . 1 1 38 38 THR CA C 38 58.536 58.536 61.431 -2.895 19433 177 1 1 . 1 1 38 38 THR CB C 38 69.085 69.085 71.574 -2.489 19433 178 1 1 . 1 1 38 38 THR H H 38 7.762 7.762 7.597 0.165 19433 179 1 1 . 1 1 39 39 LEU N N 39 126.316 126.316 125.130 1.186 19433 180 1 1 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.722 -0.179 19433 181 1 1 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.008 -2.223 19433 182 1 1 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.562 -3.221 19433 183 1 1 . 1 1 39 39 LEU H H 39 8.572 8.572 9.150 -0.578 19433 184 1 1 . 1 1 40 40 GLY N N 40 116.669 116.669 112.018 4.651 19433 185 1 1 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.834 -2.569 19433 186 1 1 . 1 1 40 40 GLY H H 40 9.303 9.303 8.452 0.851 19433 187 1 1 . 1 1 41 41 SER N N 41 113.384 113.384 117.887 -4.503 19433 188 1 1 . 1 1 41 41 SER HA H 41 3.612 3.612 4.415 -0.803 19433 189 1 1 . 1 1 41 41 SER CA C 41 56.211 56.211 60.250 -4.039 19433 190 1 1 . 1 1 41 41 SER CB C 41 60.482 60.482 62.431 -1.949 19433 191 1 1 . 1 1 41 41 SER H H 41 7.883 7.883 8.606 -0.723 19433 192 1 1 . 1 1 42 42 HIS N N 42 120.045 120.045 119.441 0.604 19433 193 1 1 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.245 0.187 19433 194 1 1 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.325 -3.321 19433 195 1 1 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.545 -5.100 19433 196 1 1 . 1 1 42 42 HIS H H 42 7.882 7.882 8.480 -0.598 19433 197 1 1 . 1 1 43 43 ASP N N 43 119.308 119.308 119.398 -0.090 19433 198 1 1 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.795 0.242 19433 199 1 1 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.438 -4.360 19433 200 1 1 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.830 -2.121 19433 201 1 1 . 1 1 43 43 ASP H H 43 7.906 7.906 7.885 0.021 19433 202 1 1 . 1 1 44 44 SER N N 44 111.544 111.544 113.149 -1.605 19433 203 1 1 . 1 1 44 44 SER HA H 44 5.617 5.617 5.335 0.282 19433 204 1 1 . 1 1 44 44 SER CA C 44 53.597 53.597 56.730 -3.132 19433 205 1 1 . 1 1 44 44 SER CB C 44 65.207 65.207 66.320 -1.113 19433 206 1 1 . 1 1 44 44 SER H H 44 8.396 8.396 8.268 0.128 19433 207 1 1 . 1 1 45 45 ILE N N 45 119.898 119.898 121.215 -1.317 19433 208 1 1 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.699 -0.189 19433 209 1 1 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.393 -3.353 19433 210 1 1 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.246 -3.000 19433 211 1 1 . 1 1 45 45 ILE H H 45 8.726 8.726 8.647 0.079 19433 212 1 1 . 1 1 46 46 ASP N N 46 123.866 123.866 126.443 -2.577 19433 213 1 1 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.519 0.002 19433 214 1 1 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.611 -3.238 19433 215 1 1 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.591 -2.779 19433 216 1 1 . 1 1 46 46 ASP H H 46 7.891 7.891 8.278 -0.387 19433 217 1 1 . 1 1 47 47 PHE N N 47 116.649 116.649 116.949 -0.300 19433 218 1 1 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.906 -0.133 19433 219 1 1 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.704 -2.616 19433 220 1 1 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.114 -3.373 19433 221 1 1 . 1 1 47 47 PHE H H 47 8.654 8.654 8.257 0.397 19433 222 1 1 . 1 1 48 48 SER N N 48 114.033 114.033 116.040 -2.007 19433 223 1 1 . 1 1 48 48 SER HA H 48 4.729 4.729 4.584 0.145 19433 224 1 1 . 1 1 48 48 SER CA C 48 49.403 49.403 59.256 -9.853 19433 225 1 1 . 1 1 48 48 SER CB C 48 61.957 61.957 63.749 -1.792 19433 226 1 1 . 1 1 48 48 SER H H 48 8.667 8.667 8.408 0.259 19433 227 1 1 . 1 1 49 49 SER N N 49 119.169 119.169 118.812 0.357 19433 228 1 1 . 1 1 49 49 SER HA H 49 4.357 4.357 4.365 -0.008 19433 229 1 1 . 1 1 49 49 SER CA C 49 55.003 55.003 57.233 -2.229 19433 230 1 1 . 1 1 49 49 SER CB C 49 61.708 61.708 64.895 -3.187 19433 231 1 1 . 1 1 49 49 SER H H 49 8.644 8.644 8.304 0.340 19433 232 1 1 . 1 1 50 50 ASP N N 50 120.389 120.389 125.522 -5.133 19433 233 1 1 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.586 -0.141 19433 234 1 1 . 1 1 50 50 ASP CA C 50 52.432 52.432 55.456 -3.024 19433 235 1 1 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.461 -2.339 19433 236 1 1 . 1 1 50 50 ASP H H 50 8.743 8.743 9.409 -0.666 19433 237 1 1 . 1 1 51 51 ALA N N 51 120.149 120.149 121.070 -0.921 19433 238 1 1 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.687 -0.061 19433 239 1 1 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.119 -2.417 19433 240 1 1 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.904 -2.708 19433 241 1 1 . 1 1 51 51 ALA H H 51 8.178 8.178 7.649 0.529 19433 242 1 1 . 1 1 52 52 GLY N N 52 106.575 106.575 107.037 -0.462 19433 243 1 1 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.180 -3.313 19433 244 1 1 . 1 1 52 52 GLY H H 52 8.465 8.465 8.824 -0.359 19433 245 1 1 . 1 1 53 53 SER N N 53 111.247 111.247 111.676 -0.429 19433 246 1 1 . 1 1 53 53 SER HA H 53 4.371 4.371 4.684 -0.313 19433 247 1 1 . 1 1 53 53 SER CA C 53 55.270 55.270 57.044 -1.774 19433 248 1 1 . 1 1 53 53 SER CB C 53 61.515 61.515 65.998 -4.483 19433 249 1 1 . 1 1 53 53 SER H H 53 7.606 7.606 7.396 0.210 19433 250 1 1 . 1 1 54 54 VAL N N 54 124.481 124.481 121.936 2.545 19433 251 1 1 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.090 0.216 19433 252 1 1 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.627 -1.851 19433 253 1 1 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.246 -4.553 19433 254 1 1 . 1 1 54 54 VAL H H 54 8.587 8.587 8.443 0.144 19433 255 1 1 . 1 1 55 55 TYR N N 55 122.616 122.616 119.731 2.885 19433 256 1 1 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.103 0.078 19433 257 1 1 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.603 -1.921 19433 258 1 1 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.866 -2.989 19433 259 1 1 . 1 1 55 55 TYR H H 55 8.586 8.586 8.054 0.532 19433 260 1 1 . 1 1 56 56 LYS N N 56 121.197 121.197 118.751 2.446 19433 261 1 1 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.896 -0.140 19433 262 1 1 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.115 -1.709 19433 263 1 1 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.306 -3.833 19433 264 1 1 . 1 1 56 56 LYS H H 56 7.276 7.276 7.571 -0.295 19433 265 1 1 . 1 1 57 57 MET N N 57 122.040 122.040 121.419 0.621 19433 266 1 1 . 1 1 57 57 MET HA H 57 5.440 5.440 5.171 0.269 19433 267 1 1 . 1 1 57 57 MET CA C 57 52.893 52.893 56.115 -3.222 19433 268 1 1 . 1 1 57 57 MET CB C 57 35.646 35.646 36.832 -1.186 19433 269 1 1 . 1 1 57 57 MET H H 57 8.637 8.637 9.282 -0.645 19433 270 1 1 . 1 1 58 58 ASP N N 58 125.086 125.086 129.292 -4.206 19433 271 1 1 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.626 0.114 19433 272 1 1 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.901 -3.117 19433 273 1 1 . 1 1 58 58 ASP CB C 58 42.339 42.339 44.113 -1.774 19433 274 1 1 . 1 1 58 58 ASP H H 58 9.367 9.367 8.453 0.914 19433 275 1 1 . 1 1 59 59 VAL N N 59 120.817 120.817 121.889 -1.072 19433 276 1 1 . 1 1 59 59 VAL HA H 59 5.058 5.058 5.223 -0.165 19433 277 1 1 . 1 1 59 59 VAL CA C 59 58.103 58.103 59.125 -1.022 19433 278 1 1 . 1 1 59 59 VAL CB C 59 33.782 33.782 34.986 -1.204 19433 279 1 1 . 1 1 59 59 VAL H H 59 8.890 8.890 8.816 0.074 19433 280 1 1 . 1 1 60 60 THR N N 60 120.028 120.028 117.489 2.539 19433 281 1 1 . 1 1 60 60 THR HA H 60 5.125 5.125 4.924 0.201 19433 282 1 1 . 1 1 60 60 THR CA C 60 56.923 56.923 61.622 -4.699 19433 283 1 1 . 1 1 60 60 THR CB C 60 68.946 68.946 70.022 -1.076 19433 284 1 1 . 1 1 60 60 THR H H 60 8.578 8.578 8.710 -0.132 19433 285 1 1 . 1 1 61 61 GLY N N 61 108.812 108.812 113.764 -4.952 19433 286 1 1 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.656 -0.462 19433 287 1 1 . 1 1 61 61 GLY H H 61 7.330 7.330 8.030 -0.700 19433 288 1 1 . 1 1 62 62 THR N N 62 111.342 111.342 113.506 -2.164 19433 289 1 1 . 1 1 62 62 THR HA H 62 5.333 5.333 5.173 0.160 19433 290 1 1 . 1 1 62 62 THR CA C 62 57.514 57.514 61.117 -3.603 19433 291 1 1 . 1 1 62 62 THR CB C 62 69.348 69.348 72.989 -3.641 19433 292 1 1 . 1 1 62 62 THR H H 62 8.013 8.013 7.779 0.234 19433 293 1 1 . 1 1 63 63 THR N N 63 115.003 115.003 115.349 -0.346 19433 294 1 1 . 1 1 63 63 THR HA H 63 4.751 4.751 4.249 0.502 19433 295 1 1 . 1 1 63 63 THR CA C 63 58.700 58.700 60.669 -1.969 19433 296 1 1 . 1 1 63 63 THR CB C 63 68.654 68.654 69.691 -1.037 19433 297 1 1 . 1 1 63 63 THR H H 63 9.432 9.432 8.664 0.768 19433 298 1 1 . 1 1 64 64 GLN N N 64 120.671 120.671 120.813 -0.142 19433 299 1 1 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.041 -0.199 19433 300 1 1 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.615 -2.343 19433 301 1 1 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.856 -2.770 19433 302 1 1 . 1 1 64 64 GLN H H 64 8.037 8.037 8.429 -0.392 19433 303 1 1 . 1 1 65 65 SER N N 65 110.096 110.096 113.120 -3.024 19433 304 1 1 . 1 1 65 65 SER HA H 65 4.351 4.351 4.469 -0.118 19433 305 1 1 . 1 1 65 65 SER CA C 65 55.577 55.577 57.826 -2.249 19433 306 1 1 . 1 1 65 65 SER CB C 65 60.350 60.350 62.984 -2.634 19433 307 1 1 . 1 1 65 65 SER H H 65 7.670 7.670 7.794 -0.124 19433 308 1 1 . 1 1 66 66 GLY N N 66 109.466 109.466 108.748 0.718 19433 309 1 1 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.582 -2.932 19433 310 1 1 . 1 1 66 66 GLY H H 66 7.810 7.810 7.420 0.390 19433 311 1 1 . 1 1 67 67 GLU N N 67 121.149 121.149 120.594 0.555 19433 312 1 1 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.601 -0.298 19433 313 1 1 . 1 1 67 67 GLU CA C 67 53.919 53.919 54.967 -1.048 19433 314 1 1 . 1 1 67 67 GLU CB C 67 27.030 27.030 32.817 -5.787 19433 315 1 1 . 1 1 67 67 GLU H H 67 7.518 7.518 7.895 -0.377 19433 316 1 1 . 1 1 68 68 LYS N N 68 124.553 124.553 126.647 -2.094 19433 317 1 1 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.839 0.047 19433 318 1 1 . 1 1 68 68 LYS CA C 68 53.002 53.002 54.900 -1.898 19433 319 1 1 . 1 1 68 68 LYS CB C 68 31.499 31.499 33.976 -2.477 19433 320 1 1 . 1 1 68 68 LYS H H 68 8.631 8.631 8.517 0.114 19433 321 1 1 . 1 1 69 69 PHE N N 69 119.363 119.363 123.486 -4.123 19433 322 1 1 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.033 0.129 19433 323 1 1 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.603 -2.994 19433 324 1 1 . 1 1 69 69 PHE CB C 69 39.531 39.531 42.122 -2.591 19433 325 1 1 . 1 1 69 69 PHE H H 69 8.180 8.180 8.382 -0.202 19433 326 1 1 . 1 1 70 70 THR N N 70 113.468 113.468 111.402 2.066 19433 327 1 1 . 1 1 70 70 THR HA H 70 5.331 5.331 4.775 0.556 19433 328 1 1 . 1 1 70 70 THR CA C 70 57.694 57.694 60.271 -2.577 19433 329 1 1 . 1 1 70 70 THR CB C 70 69.969 69.969 72.244 -2.275 19433 330 1 1 . 1 1 70 70 THR H H 70 8.623 8.623 8.688 -0.065 19433 331 1 1 . 1 1 71 71 GLY N N 71 110.469 110.469 107.732 2.737 19433 332 1 1 . 1 1 71 71 GLY CA C 71 42.758 42.758 45.293 -2.535 19433 333 1 1 . 1 1 71 71 GLY H H 71 8.955 8.955 7.684 1.271 19433 334 1 1 . 1 1 72 72 HIS N N 72 121.565 121.565 124.906 -3.341 19433 335 1 1 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.858 0.428 19433 336 1 1 . 1 1 72 72 HIS CA C 72 51.920 51.920 54.821 -2.901 19433 337 1 1 . 1 1 72 72 HIS CB C 72 28.409 28.409 28.581 -0.172 19433 338 1 1 . 1 1 72 72 HIS H H 72 8.162 8.162 7.862 0.300 19433 339 1 1 . 1 1 73 73 PHE N N 73 122.114 122.114 123.677 -1.563 19433 340 1 1 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.887 0.107 19433 341 1 1 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.977 -2.975 19433 342 1 1 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.360 -2.082 19433 343 1 1 . 1 1 73 73 PHE H H 73 9.117 9.117 9.128 -0.011 19433 344 1 1 . 1 1 74 74 LYS N N 74 122.834 122.834 121.624 1.210 19433 345 1 1 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.690 0.186 19433 346 1 1 . 1 1 74 74 LYS CA C 74 52.801 52.801 56.963 -4.162 19433 347 1 1 . 1 1 74 74 LYS CB C 74 32.741 32.741 34.142 -1.401 19433 348 1 1 . 1 1 74 74 LYS H H 74 8.889 8.889 8.979 -0.090 19433 349 1 1 . 1 1 75 75 GLY N N 75 109.821 109.821 108.438 1.383 19433 350 1 1 . 1 1 75 75 GLY CA C 75 44.235 44.235 44.472 -0.237 19433 351 1 1 . 1 1 75 75 GLY H H 75 8.418 8.418 8.192 0.226 19433 352 1 1 . 1 1 76 76 LEU N N 76 119.557 119.557 120.907 -1.350 19433 353 1 1 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.737 -0.397 19433 354 1 1 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.830 -2.455 19433 355 1 1 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.996 -3.337 19433 356 1 1 . 1 1 76 76 LEU H H 76 7.893 7.893 7.927 -0.034 19433 357 1 1 . 1 1 77 77 VAL N N 77 118.411 118.411 116.129 2.282 19433 358 1 1 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.448 -0.055 19433 359 1 1 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.698 -2.253 19433 360 1 1 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.538 -2.326 19433 361 1 1 . 1 1 77 77 VAL H H 77 8.583 8.583 8.276 0.307 19433 362 1 1 . 1 1 78 78 GLY N N 78 111.284 111.284 107.555 3.729 19433 363 1 1 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.500 -2.502 19433 364 1 1 . 1 1 78 78 GLY H H 78 8.218 8.218 8.184 0.034 19433 365 1 1 . 1 1 79 79 LYS N N 79 120.895 120.895 122.838 -1.943 19433 366 1 1 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.541 -0.264 19433 367 1 1 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.514 -1.063 19433 368 1 1 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.505 -2.228 19433 369 1 1 . 1 1 79 79 LYS H H 79 8.347 8.347 8.337 0.010 19433 370 1 1 . 1 1 80 80 ASP N N 80 119.681 119.681 117.069 2.612 19433 371 1 1 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.091 -0.284 19433 372 1 1 . 1 1 80 80 ASP CA C 80 51.234 51.234 53.451 -2.217 19433 373 1 1 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.206 -4.181 19433 374 1 1 . 1 1 80 80 ASP H H 80 7.993 7.993 7.663 0.330 19433 375 1 1 . 1 1 81 81 THR N N 81 118.659 118.659 114.154 4.505 19433 376 1 1 . 1 1 81 81 THR HA H 81 4.076 4.076 4.579 -0.503 19433 377 1 1 . 1 1 81 81 THR CA C 81 60.371 60.371 61.928 -1.556 19433 378 1 1 . 1 1 81 81 THR CB C 81 67.694 67.694 72.109 -4.415 19433 379 1 1 . 1 1 81 81 THR H H 81 8.002 8.002 8.097 -0.095 19433 380 1 1 . 1 1 82 82 ARG N N 82 127.944 127.944 123.849 4.095 19433 381 1 1 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.369 -0.772 19433 382 1 1 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.071 -1.900 19433 383 1 1 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.652 -4.044 19433 384 1 1 . 1 1 82 82 ARG H H 82 8.183 8.183 8.549 -0.366 19433 385 1 1 . 1 1 83 83 VAL N N 83 121.617 121.617 118.424 3.193 19433 386 1 1 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.259 -0.195 19433 387 1 1 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.634 -3.959 19433 388 1 1 . 1 1 83 83 VAL CB C 83 30.315 30.315 35.406 -5.091 19433 389 1 1 . 1 1 83 83 VAL H H 83 8.639 8.639 8.288 0.351 19433 390 1 1 . 1 1 84 84 PHE N N 84 124.702 124.702 126.310 -1.608 19433 391 1 1 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.825 0.142 19433 392 1 1 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.249 -0.450 19433 393 1 1 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.385 0.304 19433 394 1 1 . 1 1 84 84 PHE H H 84 9.198 9.198 8.875 0.323 19433 395 1 1 . 1 1 85 85 ILE N N 85 123.027 123.027 125.409 -2.382 19433 396 1 1 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.003 0.444 19433 397 1 1 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.798 -4.885 19433 398 1 1 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.079 -1.209 19433 399 1 1 . 1 1 85 85 ILE H H 85 8.650 8.650 8.407 0.243 19433 400 1 1 . 1 1 86 86 GLU N N 86 124.137 124.137 124.967 -0.830 19433 401 1 1 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.891 -0.316 19433 402 1 1 . 1 1 86 86 GLU CA C 86 51.531 51.531 53.943 -2.412 19433 403 1 1 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.990 -2.463 19433 404 1 1 . 1 1 86 86 GLU H H 86 8.754 8.754 7.876 0.878 19433 405 1 1 . 1 1 87 87 LEU N N 87 120.087 120.087 119.076 1.011 19433 406 1 1 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.117 -0.256 19433 407 1 1 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.698 -2.568 19433 408 1 1 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.572 -3.312 19433 409 1 1 . 1 1 87 87 LEU H H 87 8.394 8.394 8.338 0.056 19433 410 1 1 . 1 1 88 88 ASP N N 88 123.072 123.072 119.957 3.115 19433 411 1 1 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.882 -0.223 19433 412 1 1 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.845 -3.626 19433 413 1 1 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.485 -4.378 19433 414 1 1 . 1 1 88 88 ASP H H 88 8.770 8.770 8.724 0.046 19433 415 1 1 . 1 1 89 89 GLU N N 89 117.437 117.437 117.047 0.390 19433 416 1 1 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.971 0.105 19433 417 1 1 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.257 -3.269 19433 418 1 1 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.917 -2.755 19433 419 1 1 . 1 1 89 89 GLU H H 89 9.033 9.033 8.788 0.245 19433 420 1 1 . 1 1 90 90 ASN N N 90 118.824 118.824 118.418 0.406 19433 421 1 1 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.855 -0.069 19433 422 1 1 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.979 -2.809 19433 423 1 1 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.751 -3.055 19433 424 1 1 . 1 1 90 90 ASN H H 90 8.351 8.351 8.231 0.120 19433 425 1 1 . 1 1 91 91 ALA N N 91 118.167 118.167 122.017 -3.850 19433 426 1 1 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.840 -0.087 19433 427 1 1 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.299 -2.044 19433 428 1 1 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.859 -3.941 19433 429 1 1 . 1 1 91 91 ALA H H 91 8.284 8.284 7.676 0.608 19433 430 1 1 . 1 1 92 92 ASP N N 92 118.574 118.574 119.001 -0.427 19433 431 1 1 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.978 -0.046 19433 432 1 1 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.055 -3.239 19433 433 1 1 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.324 -3.154 19433 434 1 1 . 1 1 92 92 ASP H H 92 8.215 8.215 8.134 0.081 19433 435 1 1 . 1 1 93 93 VAL N N 93 121.604 121.604 122.676 -1.072 19433 436 1 1 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.091 -0.022 19433 437 1 1 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.231 -2.777 19433 438 1 1 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.355 -1.367 19433 439 1 1 . 1 1 93 93 VAL H H 93 8.440 8.440 8.596 -0.156 19433 440 1 1 . 1 1 94 94 GLN N N 94 125.344 125.344 126.278 -0.934 19433 441 1 1 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.743 0.018 19433 442 1 1 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.137 -2.823 19433 443 1 1 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.435 -2.036 19433 444 1 1 . 1 1 94 94 GLN H H 94 8.958 8.958 8.121 0.837 19433 445 1 1 . 1 1 95 95 VAL N N 95 119.370 119.370 117.488 1.882 19433 446 1 1 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.323 0.738 19433 447 1 1 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.631 -4.351 19433 448 1 1 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.890 -3.964 19433 449 1 1 . 1 1 95 95 VAL H H 95 8.420 8.420 8.295 0.125 19433 450 1 1 . 1 1 96 96 PHE N N 96 126.219 126.219 127.133 -0.914 19433 451 1 1 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.120 -0.088 19433 452 1 1 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.130 -2.240 19433 453 1 1 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.092 -3.589 19433 454 1 1 . 1 1 96 96 PHE H H 96 9.314 9.314 9.047 0.267 19433 455 1 1 . 1 1 97 97 ILE N N 97 123.424 123.424 115.719 7.705 19433 456 1 1 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.104 0.710 19433 457 1 1 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.564 -2.498 19433 458 1 1 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.503 -3.226 19433 459 1 1 . 1 1 97 97 ILE H H 97 7.613 7.613 6.564 1.049 19433 460 1 1 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.428 -0.158 19433 461 1 1 . 1 1 98 98 PRO CA C 98 59.998 59.998 61.864 -1.867 19433 462 1 1 . 1 1 98 98 PRO CB C 98 29.657 29.657 30.000 -0.343 19433 463 1 1 . 1 1 99 99 GLN N N 99 121.028 121.028 120.937 0.091 19433 464 1 1 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.306 0.149 19433 465 1 1 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.798 -2.178 19433 466 1 1 . 1 1 99 99 GLN CB C 99 28.443 28.443 29.524 -1.081 19433 467 1 1 . 1 1 99 99 GLN H H 99 8.507 8.507 7.684 0.823 19433 468 1 1 . 1 1 100 100 GLY N N 100 110.029 110.029 109.083 0.946 19433 469 1 1 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.564 -2.936 19433 470 1 1 . 1 1 100 100 GLY H H 100 8.356 8.356 8.694 -0.338 19433 471 1 1 . 1 1 101 101 GLU N N 101 120.385 120.385 120.098 0.287 19433 472 1 1 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.235 0.056 19433 473 1 1 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.755 -2.004 19433 474 1 1 . 1 1 101 101 GLU CB C 101 27.830 27.830 29.529 -1.699 19433 475 1 1 . 1 1 101 101 GLU H H 101 8.378 8.378 8.372 0.006 19433 476 1 1 . 1 1 102 102 ILE N N 102 120.838 120.838 122.969 -2.131 19433 477 1 1 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.067 0.099 19433 478 1 1 . 1 1 102 102 ILE CA C 102 58.368 58.368 61.332 -2.964 19433 479 1 1 . 1 1 102 102 ILE CB C 102 36.713 36.713 37.083 -0.370 19433 480 1 1 . 1 1 102 102 ILE H H 102 8.168 8.168 7.724 0.444 19433 481 1 2 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.337 -0.106 19433 482 1 2 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.723 -1.190 19433 483 1 2 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.152 -3.508 19433 484 1 2 . 1 1 3 3 GLN N N 3 118.180 118.180 119.198 -1.018 19433 485 1 2 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.224 0.044 19433 486 1 2 . 1 1 3 3 GLN CB C 3 26.439 26.439 28.920 -2.481 19433 487 1 2 . 1 1 3 3 GLN H H 3 8.579 8.579 8.604 -0.025 19433 488 1 2 . 1 1 4 4 ASP N N 4 120.328 120.328 117.637 2.691 19433 489 1 2 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.838 -0.341 19433 490 1 2 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.831 -2.066 19433 491 1 2 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.961 -2.439 19433 492 1 2 . 1 1 4 4 ASP H H 4 8.061 8.061 8.049 0.012 19433 493 1 2 . 1 1 5 5 GLY N N 5 109.114 109.114 109.305 -0.191 19433 494 1 2 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.614 -2.584 19433 495 1 2 . 1 1 5 5 GLY H H 5 8.322 8.322 7.968 0.354 19433 496 1 2 . 1 1 6 6 LYS N N 6 120.397 120.397 122.414 -2.017 19433 497 1 2 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.477 -0.180 19433 498 1 2 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.734 -3.415 19433 499 1 2 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.828 -2.386 19433 500 1 2 . 1 1 6 6 LYS H H 6 8.030 8.030 8.248 -0.218 19433 501 1 2 . 1 1 7 7 GLU N N 7 122.113 122.113 120.672 1.441 19433 502 1 2 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.584 -0.289 19433 503 1 2 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.179 -2.892 19433 504 1 2 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.562 -2.805 19433 505 1 2 . 1 1 7 7 GLU H H 7 8.464 8.464 8.732 -0.268 19433 506 1 2 . 1 1 8 8 THR N N 8 114.459 114.459 111.557 2.902 19433 507 1 2 . 1 1 8 8 THR HA H 8 4.543 4.543 5.128 -0.585 19433 508 1 2 . 1 1 8 8 THR CA C 8 57.966 57.966 59.955 -1.989 19433 509 1 2 . 1 1 8 8 THR CB C 8 68.123 68.123 71.650 -3.527 19433 510 1 2 . 1 1 8 8 THR H H 8 7.984 7.984 7.589 0.395 19433 511 1 2 . 1 1 9 9 THR N N 9 116.229 116.229 116.998 -0.769 19433 512 1 2 . 1 1 9 9 THR HA H 9 4.584 4.584 4.469 0.115 19433 513 1 2 . 1 1 9 9 THR CA C 9 58.575 58.575 61.065 -2.490 19433 514 1 2 . 1 1 9 9 THR CB C 9 67.866 67.866 69.881 -2.015 19433 515 1 2 . 1 1 9 9 THR H H 9 8.140 8.140 8.661 -0.521 19433 516 1 2 . 1 1 10 10 THR N N 10 118.509 118.509 122.104 -3.595 19433 517 1 2 . 1 1 10 10 THR HA H 10 4.563 4.563 4.534 0.029 19433 518 1 2 . 1 1 10 10 THR CA C 10 59.364 59.364 63.526 -4.162 19433 519 1 2 . 1 1 10 10 THR CB C 10 68.411 68.411 69.226 -0.815 19433 520 1 2 . 1 1 10 10 THR H H 10 8.544 8.544 8.259 0.285 19433 521 1 2 . 1 1 11 11 ILE N N 11 126.772 126.772 123.747 3.025 19433 522 1 2 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.711 -0.686 19433 523 1 2 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.456 -2.133 19433 524 1 2 . 1 1 11 11 ILE CB C 11 36.340 36.340 40.713 -4.373 19433 525 1 2 . 1 1 11 11 ILE H H 11 8.595 8.595 8.320 0.275 19433 526 1 2 . 1 1 12 12 ARG N N 12 125.922 125.922 121.193 4.729 19433 527 1 2 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.631 0.362 19433 528 1 2 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.871 -3.981 19433 529 1 2 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.026 -3.062 19433 530 1 2 . 1 1 12 12 ARG H H 12 8.031 8.031 8.341 -0.310 19433 531 1 2 . 1 1 13 13 LEU N N 13 126.771 126.771 125.056 1.715 19433 532 1 2 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.720 0.223 19433 533 1 2 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.781 -3.155 19433 534 1 2 . 1 1 13 13 LEU CB C 13 42.033 42.033 45.009 -2.976 19433 535 1 2 . 1 1 13 13 LEU H H 13 8.828 8.828 9.008 -0.180 19433 536 1 2 . 1 1 14 14 ILE N N 14 123.438 123.438 121.109 2.329 19433 537 1 2 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.587 -0.410 19433 538 1 2 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.721 -2.207 19433 539 1 2 . 1 1 14 14 ILE CB C 14 38.667 38.667 41.422 -2.755 19433 540 1 2 . 1 1 14 14 ILE H H 14 8.847 8.847 9.217 -0.370 19433 541 1 2 . 1 1 15 15 ASN N N 15 123.130 123.130 123.605 -0.475 19433 542 1 2 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.972 -0.092 19433 543 1 2 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.772 -3.104 19433 544 1 2 . 1 1 15 15 ASN CB C 15 34.821 34.821 39.012 -4.191 19433 545 1 2 . 1 1 15 15 ASN H H 15 8.446 8.446 9.203 -0.757 19433 546 1 2 . 1 1 16 16 GLN N N 16 125.061 125.061 121.519 3.542 19433 547 1 2 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.410 1.121 19433 548 1 2 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.015 -2.855 19433 549 1 2 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.966 -0.062 19433 550 1 2 . 1 1 16 16 GLN H H 16 9.063 9.063 8.135 0.928 19433 551 1 2 . 1 1 17 17 THR N N 17 110.936 110.936 111.852 -0.916 19433 552 1 2 . 1 1 17 17 THR HA H 17 4.415 4.415 4.158 0.257 19433 553 1 2 . 1 1 17 17 THR CA C 17 58.240 58.240 59.386 -1.147 19433 554 1 2 . 1 1 17 17 THR CB C 17 67.913 67.913 69.879 -1.966 19433 555 1 2 . 1 1 17 17 THR H H 17 7.765 7.765 7.868 -0.103 19433 556 1 2 . 1 1 18 18 TYR N N 18 112.380 112.380 115.666 -3.286 19433 557 1 2 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.711 -0.356 19433 558 1 2 . 1 1 18 18 TYR CA C 18 54.029 54.029 56.515 -2.486 19433 559 1 2 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.607 -3.040 19433 560 1 2 . 1 1 18 18 TYR H H 18 6.950 6.950 7.467 -0.517 19433 561 1 2 . 1 1 19 19 PHE N N 19 119.710 119.710 115.428 4.282 19433 562 1 2 . 1 1 19 19 PHE HA H 19 4.996 4.996 5.032 -0.036 19433 563 1 2 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.259 -2.249 19433 564 1 2 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.795 -2.325 19433 565 1 2 . 1 1 19 19 PHE H H 19 8.014 8.014 6.519 1.495 19433 566 1 2 . 1 1 20 20 ASN N N 20 117.921 117.921 117.633 0.288 19433 567 1 2 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.428 -0.739 19433 568 1 2 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.321 -0.284 19433 569 1 2 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.967 -4.661 19433 570 1 2 . 1 1 20 20 ASN H H 20 8.724 8.724 8.499 0.225 19433 571 1 2 . 1 1 21 21 VAL N N 21 115.311 115.311 114.200 1.111 19433 572 1 2 . 1 1 21 21 VAL HA H 21 4.884 4.884 5.043 -0.159 19433 573 1 2 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.636 -2.135 19433 574 1 2 . 1 1 21 21 VAL CB C 21 31.845 31.845 36.132 -4.287 19433 575 1 2 . 1 1 21 21 VAL H H 21 8.186 8.186 9.083 -0.897 19433 576 1 2 . 1 1 22 22 LYS N N 22 119.772 119.772 120.100 -0.328 19433 577 1 2 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.786 0.216 19433 578 1 2 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.986 -4.454 19433 579 1 2 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.588 0.677 19433 580 1 2 . 1 1 22 22 LYS H H 22 9.331 9.331 8.268 1.063 19433 581 1 2 . 1 1 23 23 ASN N N 23 116.781 116.781 114.399 2.382 19433 582 1 2 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.767 -0.564 19433 583 1 2 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.813 -1.880 19433 584 1 2 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.434 -3.914 19433 585 1 2 . 1 1 23 23 ASN H H 23 8.573 8.573 8.061 0.512 19433 586 1 2 . 1 1 24 24 ILE N N 24 118.303 118.303 121.559 -3.256 19433 587 1 2 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.217 0.527 19433 588 1 2 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.178 -3.634 19433 589 1 2 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.977 -1.741 19433 590 1 2 . 1 1 24 24 ILE H H 24 8.329 8.329 7.716 0.613 19433 591 1 2 . 1 1 25 25 LYS N N 25 129.189 129.189 128.793 0.396 19433 592 1 2 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.753 0.133 19433 593 1 2 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.835 -3.074 19433 594 1 2 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.373 -1.726 19433 595 1 2 . 1 1 25 25 LYS H H 25 9.102 9.102 8.758 0.344 19433 596 1 2 . 1 1 26 26 VAL N N 26 129.283 129.283 125.122 4.161 19433 597 1 2 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.666 0.300 19433 598 1 2 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.972 -2.873 19433 599 1 2 . 1 1 26 26 VAL CB C 26 31.370 31.370 35.604 -4.234 19433 600 1 2 . 1 1 26 26 VAL H H 26 9.057 9.057 8.976 0.081 19433 601 1 2 . 1 1 27 27 THR N N 27 120.185 120.185 120.968 -0.783 19433 602 1 2 . 1 1 27 27 THR HA H 27 5.542 5.542 5.110 0.432 19433 603 1 2 . 1 1 27 27 THR CA C 27 56.977 56.977 62.302 -5.325 19433 604 1 2 . 1 1 27 27 THR CB C 27 68.220 68.220 71.637 -3.417 19433 605 1 2 . 1 1 27 27 THR H H 27 9.177 9.177 8.445 0.732 19433 606 1 2 . 1 1 28 28 TRP N N 28 123.046 123.046 123.852 -0.806 19433 607 1 2 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.310 0.080 19433 608 1 2 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.982 -2.365 19433 609 1 2 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.956 -0.994 19433 610 1 2 . 1 1 28 28 TRP H H 28 8.787 8.787 8.018 0.769 19433 611 1 2 . 1 1 29 29 ASN N N 29 116.792 116.792 117.815 -1.023 19433 612 1 2 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.629 -1.213 19433 613 1 2 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.699 -1.434 19433 614 1 2 . 1 1 29 29 ASN CB C 29 34.179 34.179 40.166 -5.987 19433 615 1 2 . 1 1 29 29 ASN H H 29 8.193 8.193 7.573 0.620 19433 616 1 2 . 1 1 30 30 ASP N N 30 118.710 118.710 119.465 -0.755 19433 617 1 2 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.847 -0.330 19433 618 1 2 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.667 -3.205 19433 619 1 2 . 1 1 30 30 ASP CB C 30 36.498 36.498 41.174 -4.676 19433 620 1 2 . 1 1 30 30 ASP H H 30 8.937 8.937 8.497 0.440 19433 621 1 2 . 1 1 31 31 GLY N N 31 106.542 106.542 106.083 0.459 19433 622 1 2 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.988 -1.522 19433 623 1 2 . 1 1 31 31 GLY H H 31 7.594 7.594 7.594 -0.000 19433 624 1 2 . 1 1 32 32 LYS N N 32 121.904 121.904 123.793 -1.889 19433 625 1 2 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.039 -0.150 19433 626 1 2 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.797 -2.973 19433 627 1 2 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.726 -3.596 19433 628 1 2 . 1 1 32 32 LYS H H 32 7.510 7.510 7.832 -0.322 19433 629 1 2 . 1 1 33 33 GLU N N 33 119.124 119.124 121.450 -2.326 19433 630 1 2 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.760 0.520 19433 631 1 2 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.445 -2.114 19433 632 1 2 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.373 -1.664 19433 633 1 2 . 1 1 33 33 GLU H H 33 7.843 7.843 8.025 -0.182 19433 634 1 2 . 1 1 34 34 GLN N N 34 123.230 123.230 118.338 4.892 19433 635 1 2 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.835 -0.412 19433 636 1 2 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.542 -2.245 19433 637 1 2 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.617 -1.375 19433 638 1 2 . 1 1 34 34 GLN H H 34 9.114 9.114 8.899 0.215 19433 639 1 2 . 1 1 35 35 THR N N 35 119.194 119.194 111.660 7.534 19433 640 1 2 . 1 1 35 35 THR HA H 35 5.241 5.241 5.377 -0.136 19433 641 1 2 . 1 1 35 35 THR CA C 35 58.075 58.075 59.975 -1.900 19433 642 1 2 . 1 1 35 35 THR CB C 35 67.936 67.936 71.138 -3.202 19433 643 1 2 . 1 1 35 35 THR H H 35 8.397 8.397 8.141 0.256 19433 644 1 2 . 1 1 36 36 VAL N N 36 126.317 126.317 125.033 1.284 19433 645 1 2 . 1 1 36 36 VAL HA H 36 4.166 4.166 3.884 0.282 19433 646 1 2 . 1 1 36 36 VAL CA C 36 58.296 58.296 62.266 -3.970 19433 647 1 2 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.479 -0.694 19433 648 1 2 . 1 1 36 36 VAL H H 36 8.976 8.976 8.563 0.413 19433 649 1 2 . 1 1 37 37 ASN N N 37 126.536 126.536 125.635 0.901 19433 650 1 2 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.473 -0.112 19433 651 1 2 . 1 1 37 37 ASN CA C 37 55.094 55.094 56.007 -0.913 19433 652 1 2 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.671 -2.917 19433 653 1 2 . 1 1 37 37 ASN H H 37 8.974 8.974 8.861 0.113 19433 654 1 2 . 1 1 38 38 THR N N 38 112.460 112.460 111.720 0.740 19433 655 1 2 . 1 1 38 38 THR HA H 38 4.850 4.850 4.842 0.008 19433 656 1 2 . 1 1 38 38 THR CA C 38 58.536 58.536 61.813 -3.277 19433 657 1 2 . 1 1 38 38 THR CB C 38 69.085 69.085 71.950 -2.865 19433 658 1 2 . 1 1 38 38 THR H H 38 7.762 7.762 7.694 0.068 19433 659 1 2 . 1 1 39 39 LEU N N 39 126.316 126.316 124.825 1.491 19433 660 1 2 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.790 -0.247 19433 661 1 2 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.453 -2.668 19433 662 1 2 . 1 1 39 39 LEU CB C 39 42.341 42.341 46.160 -3.818 19433 663 1 2 . 1 1 39 39 LEU H H 39 8.572 8.572 9.072 -0.500 19433 664 1 2 . 1 1 40 40 GLY N N 40 116.669 116.669 112.187 4.482 19433 665 1 2 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.310 -2.045 19433 666 1 2 . 1 1 40 40 GLY H H 40 9.303 9.303 8.469 0.834 19433 667 1 2 . 1 1 41 41 SER N N 41 113.384 113.384 116.483 -3.099 19433 668 1 2 . 1 1 41 41 SER HA H 41 3.612 3.612 4.026 -0.414 19433 669 1 2 . 1 1 41 41 SER CA C 41 56.211 56.211 59.593 -3.382 19433 670 1 2 . 1 1 41 41 SER CB C 41 60.482 60.482 63.441 -2.959 19433 671 1 2 . 1 1 41 41 SER H H 41 7.883 7.883 8.438 -0.555 19433 672 1 2 . 1 1 42 42 HIS N N 42 120.045 120.045 117.662 2.383 19433 673 1 2 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.131 0.301 19433 674 1 2 . 1 1 42 42 HIS CA C 42 55.004 55.004 57.703 -2.699 19433 675 1 2 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.400 -4.955 19433 676 1 2 . 1 1 42 42 HIS H H 42 7.882 7.882 8.935 -1.053 19433 677 1 2 . 1 1 43 43 ASP N N 43 119.308 119.308 120.876 -1.568 19433 678 1 2 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.793 0.244 19433 679 1 2 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.860 -4.782 19433 680 1 2 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.304 -1.595 19433 681 1 2 . 1 1 43 43 ASP H H 43 7.906 7.906 7.947 -0.041 19433 682 1 2 . 1 1 44 44 SER N N 44 111.544 111.544 113.871 -2.327 19433 683 1 2 . 1 1 44 44 SER HA H 44 5.617 5.617 5.224 0.393 19433 684 1 2 . 1 1 44 44 SER CA C 44 53.597 53.597 56.865 -3.268 19433 685 1 2 . 1 1 44 44 SER CB C 44 65.207 65.207 66.485 -1.278 19433 686 1 2 . 1 1 44 44 SER H H 44 8.396 8.396 8.353 0.043 19433 687 1 2 . 1 1 45 45 ILE N N 45 119.898 119.898 120.673 -0.775 19433 688 1 2 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.542 -0.032 19433 689 1 2 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.809 -3.769 19433 690 1 2 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.389 -3.143 19433 691 1 2 . 1 1 45 45 ILE H H 45 8.726 8.726 9.140 -0.414 19433 692 1 2 . 1 1 46 46 ASP N N 46 123.866 123.866 127.416 -3.550 19433 693 1 2 . 1 1 46 46 ASP HA H 46 5.521 5.521 4.854 0.667 19433 694 1 2 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.614 -3.241 19433 695 1 2 . 1 1 46 46 ASP CB C 46 40.812 40.812 40.181 0.631 19433 696 1 2 . 1 1 46 46 ASP H H 46 7.891 7.891 8.347 -0.456 19433 697 1 2 . 1 1 47 47 PHE N N 47 116.649 116.649 120.015 -3.366 19433 698 1 2 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.848 -0.075 19433 699 1 2 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.302 -2.214 19433 700 1 2 . 1 1 47 47 PHE CB C 47 37.740 37.740 40.899 -3.159 19433 701 1 2 . 1 1 47 47 PHE H H 47 8.654 8.654 7.201 1.453 19433 702 1 2 . 1 1 48 48 SER N N 48 114.033 114.033 116.284 -2.251 19433 703 1 2 . 1 1 48 48 SER HA H 48 4.729 4.729 4.416 0.313 19433 704 1 2 . 1 1 48 48 SER CA C 48 49.403 49.403 57.541 -8.138 19433 705 1 2 . 1 1 48 48 SER CB C 48 61.957 61.957 64.193 -2.236 19433 706 1 2 . 1 1 48 48 SER H H 48 8.667 8.667 8.439 0.228 19433 707 1 2 . 1 1 49 49 SER N N 49 119.169 119.169 115.609 3.560 19433 708 1 2 . 1 1 49 49 SER HA H 49 4.357 4.357 4.367 -0.010 19433 709 1 2 . 1 1 49 49 SER CA C 49 55.003 55.003 56.828 -1.825 19433 710 1 2 . 1 1 49 49 SER CB C 49 61.708 61.708 65.277 -3.569 19433 711 1 2 . 1 1 49 49 SER H H 49 8.644 8.644 8.034 0.610 19433 712 1 2 . 1 1 50 50 ASP N N 50 120.389 120.389 122.408 -2.019 19433 713 1 2 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.589 -0.144 19433 714 1 2 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.285 -1.853 19433 715 1 2 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.433 -2.311 19433 716 1 2 . 1 1 50 50 ASP H H 50 8.743 8.743 8.882 -0.139 19433 717 1 2 . 1 1 51 51 ALA N N 51 120.149 120.149 120.791 -0.642 19433 718 1 2 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.657 -0.031 19433 719 1 2 . 1 1 51 51 ALA CA C 51 48.702 48.702 50.991 -2.289 19433 720 1 2 . 1 1 51 51 ALA CB C 51 19.196 19.196 22.137 -2.941 19433 721 1 2 . 1 1 51 51 ALA H H 51 8.178 8.178 7.114 1.064 19433 722 1 2 . 1 1 52 52 GLY N N 52 106.575 106.575 106.788 -0.213 19433 723 1 2 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.750 -2.883 19433 724 1 2 . 1 1 52 52 GLY H H 52 8.465 8.465 8.808 -0.343 19433 725 1 2 . 1 1 53 53 SER N N 53 111.247 111.247 113.499 -2.252 19433 726 1 2 . 1 1 53 53 SER HA H 53 4.371 4.371 4.600 -0.229 19433 727 1 2 . 1 1 53 53 SER CA C 53 55.270 55.270 57.151 -1.881 19433 728 1 2 . 1 1 53 53 SER CB C 53 61.515 61.515 66.180 -4.665 19433 729 1 2 . 1 1 53 53 SER H H 53 7.606 7.606 7.434 0.172 19433 730 1 2 . 1 1 54 54 VAL N N 54 124.481 124.481 121.771 2.710 19433 731 1 2 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.188 0.118 19433 732 1 2 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.553 -1.778 19433 733 1 2 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.944 -5.251 19433 734 1 2 . 1 1 54 54 VAL H H 54 8.587 8.587 8.574 0.013 19433 735 1 2 . 1 1 55 55 TYR N N 55 122.616 122.616 118.363 4.253 19433 736 1 2 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.188 -0.007 19433 737 1 2 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.142 -1.460 19433 738 1 2 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.677 -2.800 19433 739 1 2 . 1 1 55 55 TYR H H 55 8.586 8.586 7.991 0.595 19433 740 1 2 . 1 1 56 56 LYS N N 56 121.197 121.197 118.916 2.281 19433 741 1 2 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.884 -0.128 19433 742 1 2 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.501 -2.095 19433 743 1 2 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.334 -3.861 19433 744 1 2 . 1 1 56 56 LYS H H 56 7.276 7.276 7.524 -0.248 19433 745 1 2 . 1 1 57 57 MET N N 57 122.040 122.040 122.088 -0.048 19433 746 1 2 . 1 1 57 57 MET HA H 57 5.440 5.440 5.171 0.269 19433 747 1 2 . 1 1 57 57 MET CA C 57 52.893 52.893 55.871 -2.978 19433 748 1 2 . 1 1 57 57 MET CB C 57 35.646 35.646 37.717 -2.071 19433 749 1 2 . 1 1 57 57 MET H H 57 8.637 8.637 8.982 -0.345 19433 750 1 2 . 1 1 58 58 ASP N N 58 125.086 125.086 128.538 -3.452 19433 751 1 2 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.006 0.734 19433 752 1 2 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.507 -2.723 19433 753 1 2 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.370 -1.031 19433 754 1 2 . 1 1 58 58 ASP H H 58 9.367 9.367 8.695 0.672 19433 755 1 2 . 1 1 59 59 VAL N N 59 120.817 120.817 123.351 -2.534 19433 756 1 2 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.338 0.720 19433 757 1 2 . 1 1 59 59 VAL CA C 59 58.103 58.103 60.908 -2.805 19433 758 1 2 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.384 0.398 19433 759 1 2 . 1 1 59 59 VAL H H 59 8.890 8.890 8.568 0.322 19433 760 1 2 . 1 1 60 60 THR N N 60 120.028 120.028 120.125 -0.097 19433 761 1 2 . 1 1 60 60 THR HA H 60 5.125 5.125 5.070 0.055 19433 762 1 2 . 1 1 60 60 THR CA C 60 56.923 56.923 60.642 -3.719 19433 763 1 2 . 1 1 60 60 THR CB C 60 68.946 68.946 70.226 -1.280 19433 764 1 2 . 1 1 60 60 THR H H 60 8.578 8.578 8.355 0.223 19433 765 1 2 . 1 1 61 61 GLY N N 61 108.812 108.812 112.980 -4.168 19433 766 1 2 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.167 -0.973 19433 767 1 2 . 1 1 61 61 GLY H H 61 7.330 7.330 8.325 -0.995 19433 768 1 2 . 1 1 62 62 THR N N 62 111.342 111.342 114.108 -2.766 19433 769 1 2 . 1 1 62 62 THR HA H 62 5.333 5.333 5.174 0.159 19433 770 1 2 . 1 1 62 62 THR CA C 62 57.514 57.514 60.913 -3.399 19433 771 1 2 . 1 1 62 62 THR CB C 62 69.348 69.348 72.690 -3.342 19433 772 1 2 . 1 1 62 62 THR H H 62 8.013 8.013 7.741 0.272 19433 773 1 2 . 1 1 63 63 THR N N 63 115.003 115.003 115.780 -0.777 19433 774 1 2 . 1 1 63 63 THR HA H 63 4.751 4.751 4.536 0.215 19433 775 1 2 . 1 1 63 63 THR CA C 63 58.700 58.700 60.600 -1.901 19433 776 1 2 . 1 1 63 63 THR CB C 63 68.654 68.654 69.743 -1.089 19433 777 1 2 . 1 1 63 63 THR H H 63 9.432 9.432 8.771 0.661 19433 778 1 2 . 1 1 64 64 GLN N N 64 120.671 120.671 121.112 -0.441 19433 779 1 2 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.042 -0.200 19433 780 1 2 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.029 -2.757 19433 781 1 2 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.525 -2.439 19433 782 1 2 . 1 1 64 64 GLN H H 64 8.037 8.037 8.581 -0.544 19433 783 1 2 . 1 1 65 65 SER N N 65 110.096 110.096 112.380 -2.284 19433 784 1 2 . 1 1 65 65 SER HA H 65 4.351 4.351 4.398 -0.047 19433 785 1 2 . 1 1 65 65 SER CA C 65 55.577 55.577 58.148 -2.571 19433 786 1 2 . 1 1 65 65 SER CB C 65 60.350 60.350 63.494 -3.144 19433 787 1 2 . 1 1 65 65 SER H H 65 7.670 7.670 7.574 0.096 19433 788 1 2 . 1 1 66 66 GLY N N 66 109.466 109.466 108.522 0.944 19433 789 1 2 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.107 -2.457 19433 790 1 2 . 1 1 66 66 GLY H H 66 7.810 7.810 7.658 0.152 19433 791 1 2 . 1 1 67 67 GLU N N 67 121.149 121.149 120.865 0.284 19433 792 1 2 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.264 0.039 19433 793 1 2 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.432 -2.513 19433 794 1 2 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.665 -3.635 19433 795 1 2 . 1 1 67 67 GLU H H 67 7.518 7.518 7.726 -0.208 19433 796 1 2 . 1 1 68 68 LYS N N 68 124.553 124.553 125.030 -0.477 19433 797 1 2 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.762 0.124 19433 798 1 2 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.921 -2.919 19433 799 1 2 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.514 -3.014 19433 800 1 2 . 1 1 68 68 LYS H H 68 8.631 8.631 8.402 0.229 19433 801 1 2 . 1 1 69 69 PHE N N 69 119.363 119.363 119.864 -0.501 19433 802 1 2 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.021 0.141 19433 803 1 2 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.450 -2.840 19433 804 1 2 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.434 -1.903 19433 805 1 2 . 1 1 69 69 PHE H H 69 8.180 8.180 8.421 -0.241 19433 806 1 2 . 1 1 70 70 THR N N 70 113.468 113.468 112.271 1.197 19433 807 1 2 . 1 1 70 70 THR HA H 70 5.331 5.331 4.841 0.490 19433 808 1 2 . 1 1 70 70 THR CA C 70 57.694 57.694 59.793 -2.099 19433 809 1 2 . 1 1 70 70 THR CB C 70 69.969 69.969 72.492 -2.522 19433 810 1 2 . 1 1 70 70 THR H H 70 8.623 8.623 8.464 0.159 19433 811 1 2 . 1 1 71 71 GLY N N 71 110.469 110.469 107.580 2.889 19433 812 1 2 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.212 -1.454 19433 813 1 2 . 1 1 71 71 GLY H H 71 8.955 8.955 8.084 0.871 19433 814 1 2 . 1 1 72 72 HIS N N 72 121.565 121.565 119.309 2.256 19433 815 1 2 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.064 1.222 19433 816 1 2 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.825 -4.905 19433 817 1 2 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.297 2.112 19433 818 1 2 . 1 1 72 72 HIS H H 72 8.162 8.162 7.519 0.643 19433 819 1 2 . 1 1 73 73 PHE N N 73 122.114 122.114 122.661 -0.547 19433 820 1 2 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.804 0.190 19433 821 1 2 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.403 -2.401 19433 822 1 2 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.662 -2.384 19433 823 1 2 . 1 1 73 73 PHE H H 73 9.117 9.117 8.884 0.233 19433 824 1 2 . 1 1 74 74 LYS N N 74 122.834 122.834 120.094 2.740 19433 825 1 2 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.765 0.111 19433 826 1 2 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.034 -2.233 19433 827 1 2 . 1 1 74 74 LYS CB C 74 32.741 32.741 35.354 -2.613 19433 828 1 2 . 1 1 74 74 LYS H H 74 8.889 8.889 8.499 0.390 19433 829 1 2 . 1 1 75 75 GLY N N 75 109.821 109.821 110.723 -0.902 19433 830 1 2 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.610 -1.375 19433 831 1 2 . 1 1 75 75 GLY H H 75 8.418 8.418 8.362 0.056 19433 832 1 2 . 1 1 76 76 LEU N N 76 119.557 119.557 120.866 -1.309 19433 833 1 2 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.754 -0.414 19433 834 1 2 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.135 -1.761 19433 835 1 2 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.041 -3.382 19433 836 1 2 . 1 1 76 76 LEU H H 76 7.893 7.893 7.594 0.299 19433 837 1 2 . 1 1 77 77 VAL N N 77 118.411 118.411 115.903 2.508 19433 838 1 2 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.389 0.004 19433 839 1 2 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.489 -2.044 19433 840 1 2 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.559 -2.347 19433 841 1 2 . 1 1 77 77 VAL H H 77 8.583 8.583 8.085 0.498 19433 842 1 2 . 1 1 78 78 GLY N N 78 111.284 111.284 108.990 2.294 19433 843 1 2 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.707 -2.709 19433 844 1 2 . 1 1 78 78 GLY H H 78 8.218 8.218 8.365 -0.147 19433 845 1 2 . 1 1 79 79 LYS N N 79 120.895 120.895 122.783 -1.888 19433 846 1 2 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.593 -0.316 19433 847 1 2 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.792 -1.341 19433 848 1 2 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.493 -2.216 19433 849 1 2 . 1 1 79 79 LYS H H 79 8.347 8.347 8.388 -0.041 19433 850 1 2 . 1 1 80 80 ASP N N 80 119.681 119.681 117.677 2.004 19433 851 1 2 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.394 -0.587 19433 852 1 2 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.773 -1.539 19433 853 1 2 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.040 -5.016 19433 854 1 2 . 1 1 80 80 ASP H H 80 7.993 7.993 7.771 0.222 19433 855 1 2 . 1 1 81 81 THR N N 81 118.659 118.659 113.924 4.735 19433 856 1 2 . 1 1 81 81 THR HA H 81 4.076 4.076 4.473 -0.397 19433 857 1 2 . 1 1 81 81 THR CA C 81 60.371 60.371 62.092 -1.721 19433 858 1 2 . 1 1 81 81 THR CB C 81 67.694 67.694 70.155 -2.461 19433 859 1 2 . 1 1 81 81 THR H H 81 8.002 8.002 8.318 -0.316 19433 860 1 2 . 1 1 82 82 ARG N N 82 127.944 127.944 125.231 2.713 19433 861 1 2 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.090 -0.493 19433 862 1 2 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.590 -2.419 19433 863 1 2 . 1 1 82 82 ARG CB C 82 29.608 29.608 32.555 -2.947 19433 864 1 2 . 1 1 82 82 ARG H H 82 8.183 8.183 8.339 -0.156 19433 865 1 2 . 1 1 83 83 VAL N N 83 121.617 121.617 120.327 1.290 19433 866 1 2 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.176 -0.112 19433 867 1 2 . 1 1 83 83 VAL CA C 83 57.675 57.675 60.884 -3.209 19433 868 1 2 . 1 1 83 83 VAL CB C 83 30.315 30.315 33.892 -3.577 19433 869 1 2 . 1 1 83 83 VAL H H 83 8.639 8.639 8.465 0.174 19433 870 1 2 . 1 1 84 84 PHE N N 84 124.702 124.702 127.145 -2.443 19433 871 1 2 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.746 0.221 19433 872 1 2 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.710 -0.911 19433 873 1 2 . 1 1 84 84 PHE CB C 84 38.688 38.688 37.704 0.984 19433 874 1 2 . 1 1 84 84 PHE H H 84 9.198 9.198 8.802 0.396 19433 875 1 2 . 1 1 85 85 ILE N N 85 123.027 123.027 124.934 -1.907 19433 876 1 2 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.033 0.414 19433 877 1 2 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.674 -4.761 19433 878 1 2 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.236 -1.365 19433 879 1 2 . 1 1 85 85 ILE H H 85 8.650 8.650 8.525 0.125 19433 880 1 2 . 1 1 86 86 GLU N N 86 124.137 124.137 123.721 0.416 19433 881 1 2 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.684 -0.109 19433 882 1 2 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.682 -3.151 19433 883 1 2 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.474 -0.947 19433 884 1 2 . 1 1 86 86 GLU H H 86 8.754 8.754 8.176 0.578 19433 885 1 2 . 1 1 87 87 LEU N N 87 120.087 120.087 118.593 1.494 19433 886 1 2 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.312 -0.451 19433 887 1 2 . 1 1 87 87 LEU CA C 87 51.130 51.130 52.638 -1.508 19433 888 1 2 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.016 -1.756 19433 889 1 2 . 1 1 87 87 LEU H H 87 8.394 8.394 8.491 -0.097 19433 890 1 2 . 1 1 88 88 ASP N N 88 123.072 123.072 118.274 4.798 19433 891 1 2 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.840 -0.181 19433 892 1 2 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.426 -3.207 19433 893 1 2 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.787 -4.680 19433 894 1 2 . 1 1 88 88 ASP H H 88 8.770 8.770 8.106 0.664 19433 895 1 2 . 1 1 89 89 GLU N N 89 117.437 117.437 118.305 -0.868 19433 896 1 2 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.020 0.056 19433 897 1 2 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.327 -3.339 19433 898 1 2 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.938 -2.776 19433 899 1 2 . 1 1 89 89 GLU H H 89 9.033 9.033 8.834 0.199 19433 900 1 2 . 1 1 90 90 ASN N N 90 118.824 118.824 118.398 0.426 19433 901 1 2 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.870 -0.084 19433 902 1 2 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.635 -2.465 19433 903 1 2 . 1 1 90 90 ASN CB C 90 36.696 36.696 38.848 -2.152 19433 904 1 2 . 1 1 90 90 ASN H H 90 8.351 8.351 8.179 0.172 19433 905 1 2 . 1 1 91 91 ALA N N 91 118.167 118.167 121.672 -3.505 19433 906 1 2 . 1 1 91 91 ALA HA H 91 3.752 3.752 4.009 -0.257 19433 907 1 2 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.354 -2.099 19433 908 1 2 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.625 -3.707 19433 909 1 2 . 1 1 91 91 ALA H H 91 8.284 8.284 8.104 0.180 19433 910 1 2 . 1 1 92 92 ASP N N 92 118.574 118.574 119.311 -0.737 19433 911 1 2 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.773 0.159 19433 912 1 2 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.594 -3.778 19433 913 1 2 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.218 -3.047 19433 914 1 2 . 1 1 92 92 ASP H H 92 8.215 8.215 7.820 0.395 19433 915 1 2 . 1 1 93 93 VAL N N 93 121.604 121.604 123.852 -2.248 19433 916 1 2 . 1 1 93 93 VAL HA H 93 4.069 4.069 3.934 0.135 19433 917 1 2 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.164 -2.710 19433 918 1 2 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.292 -2.304 19433 919 1 2 . 1 1 93 93 VAL H H 93 8.440 8.440 8.436 0.004 19433 920 1 2 . 1 1 94 94 GLN N N 94 125.344 125.344 127.011 -1.667 19433 921 1 2 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.674 0.087 19433 922 1 2 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.809 -3.495 19433 923 1 2 . 1 1 94 94 GLN CB C 94 29.399 29.399 30.680 -1.281 19433 924 1 2 . 1 1 94 94 GLN H H 94 8.958 8.958 7.760 1.198 19433 925 1 2 . 1 1 95 95 VAL N N 95 119.370 119.370 117.408 1.962 19433 926 1 2 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.510 0.551 19433 927 1 2 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.481 -4.201 19433 928 1 2 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.865 -3.939 19433 929 1 2 . 1 1 95 95 VAL H H 95 8.420 8.420 8.394 0.026 19433 930 1 2 . 1 1 96 96 PHE N N 96 126.219 126.219 127.218 -0.999 19433 931 1 2 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.130 -0.098 19433 932 1 2 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.159 -2.269 19433 933 1 2 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.823 -3.320 19433 934 1 2 . 1 1 96 96 PHE H H 96 9.314 9.314 9.115 0.199 19433 935 1 2 . 1 1 97 97 ILE N N 97 123.424 123.424 115.543 7.881 19433 936 1 2 . 1 1 97 97 ILE HA H 97 4.814 4.814 3.984 0.830 19433 937 1 2 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.956 -1.890 19433 938 1 2 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.239 -2.962 19433 939 1 2 . 1 1 97 97 ILE H H 97 7.613 7.613 6.545 1.068 19433 940 1 2 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.315 -0.045 19433 941 1 2 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.731 -2.733 19433 942 1 2 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.749 -2.092 19433 943 1 2 . 1 1 99 99 GLN N N 99 121.028 121.028 121.526 -0.498 19433 944 1 2 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.492 -0.037 19433 945 1 2 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.657 -2.037 19433 946 1 2 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.805 -3.362 19433 947 1 2 . 1 1 99 99 GLN H H 99 8.507 8.507 8.135 0.372 19433 948 1 2 . 1 1 100 100 GLY N N 100 110.029 110.029 109.132 0.897 19433 949 1 2 . 1 1 100 100 GLY CA C 100 42.628 42.628 46.103 -3.475 19433 950 1 2 . 1 1 100 100 GLY H H 100 8.356 8.356 8.533 -0.177 19433 951 1 2 . 1 1 101 101 GLU N N 101 120.385 120.385 123.359 -2.974 19433 952 1 2 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.415 -0.124 19433 953 1 2 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.922 -2.171 19433 954 1 2 . 1 1 101 101 GLU CB C 101 27.830 27.830 27.789 0.041 19433 955 1 2 . 1 1 101 101 GLU H H 101 8.378 8.378 8.522 -0.144 19433 956 1 2 . 1 1 102 102 ILE N N 102 120.838 120.838 122.565 -1.727 19433 957 1 2 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.333 -0.167 19433 958 1 2 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.693 -2.325 19433 959 1 2 . 1 1 102 102 ILE CB C 102 36.713 36.713 39.476 -2.763 19433 960 1 2 . 1 1 102 102 ILE H H 102 8.168 8.168 8.086 0.082 19433 961 1 3 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.622 -0.391 19433 962 1 3 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.842 -1.309 19433 963 1 3 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.765 -4.121 19433 964 1 3 . 1 1 3 3 GLN N N 3 118.180 118.180 118.713 -0.533 19433 965 1 3 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.229 0.039 19433 966 1 3 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.012 -2.573 19433 967 1 3 . 1 1 3 3 GLN H H 3 8.579 8.579 8.709 -0.130 19433 968 1 3 . 1 1 4 4 ASP N N 4 120.328 120.328 117.637 2.691 19433 969 1 3 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.815 -0.318 19433 970 1 3 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.889 -2.124 19433 971 1 3 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.847 -2.325 19433 972 1 3 . 1 1 4 4 ASP H H 4 8.061 8.061 8.382 -0.321 19433 973 1 3 . 1 1 5 5 GLY N N 5 109.114 109.114 110.280 -1.166 19433 974 1 3 . 1 1 5 5 GLY CA C 5 43.030 43.030 47.093 -4.063 19433 975 1 3 . 1 1 5 5 GLY H H 5 8.322 8.322 8.666 -0.344 19433 976 1 3 . 1 1 6 6 LYS N N 6 120.397 120.397 117.502 2.895 19433 977 1 3 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.507 -0.210 19433 978 1 3 . 1 1 6 6 LYS CA C 6 53.319 53.319 55.546 -2.227 19433 979 1 3 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.458 -2.017 19433 980 1 3 . 1 1 6 6 LYS H H 6 8.030 8.030 7.823 0.207 19433 981 1 3 . 1 1 7 7 GLU N N 7 122.113 122.113 121.872 0.241 19433 982 1 3 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.387 -0.092 19433 983 1 3 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.808 -2.521 19433 984 1 3 . 1 1 7 7 GLU CB C 7 27.757 27.757 29.081 -1.324 19433 985 1 3 . 1 1 7 7 GLU H H 7 8.464 8.464 8.594 -0.130 19433 986 1 3 . 1 1 8 8 THR N N 8 114.459 114.459 109.079 5.380 19433 987 1 3 . 1 1 8 8 THR HA H 8 4.543 4.543 4.895 -0.352 19433 988 1 3 . 1 1 8 8 THR CA C 8 57.966 57.966 59.915 -1.949 19433 989 1 3 . 1 1 8 8 THR CB C 8 68.123 68.123 71.762 -3.639 19433 990 1 3 . 1 1 8 8 THR H H 8 7.984 7.984 7.448 0.536 19433 991 1 3 . 1 1 9 9 THR N N 9 116.229 116.229 113.939 2.290 19433 992 1 3 . 1 1 9 9 THR HA H 9 4.584 4.584 4.838 -0.254 19433 993 1 3 . 1 1 9 9 THR CA C 9 58.575 58.575 61.298 -2.723 19433 994 1 3 . 1 1 9 9 THR CB C 9 67.866 67.866 69.862 -1.996 19433 995 1 3 . 1 1 9 9 THR H H 9 8.140 8.140 8.076 0.064 19433 996 1 3 . 1 1 10 10 THR N N 10 118.509 118.509 115.704 2.805 19433 997 1 3 . 1 1 10 10 THR HA H 10 4.563 4.563 4.571 -0.008 19433 998 1 3 . 1 1 10 10 THR CA C 10 59.364 59.364 61.709 -2.345 19433 999 1 3 . 1 1 10 10 THR CB C 10 68.411 68.411 72.326 -3.915 19433 1000 1 3 . 1 1 10 10 THR H H 10 8.544 8.544 8.089 0.455 19433 1001 1 3 . 1 1 11 11 ILE N N 11 126.772 126.772 120.246 6.526 19433 1002 1 3 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.659 -0.634 19433 1003 1 3 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.119 -1.796 19433 1004 1 3 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.840 -5.500 19433 1005 1 3 . 1 1 11 11 ILE H H 11 8.595 8.595 8.659 -0.064 19433 1006 1 3 . 1 1 12 12 ARG N N 12 125.922 125.922 123.746 2.176 19433 1007 1 3 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.813 0.180 19433 1008 1 3 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.599 -3.709 19433 1009 1 3 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.407 -3.443 19433 1010 1 3 . 1 1 12 12 ARG H H 12 8.031 8.031 7.988 0.043 19433 1011 1 3 . 1 1 13 13 LEU N N 13 126.771 126.771 125.870 0.901 19433 1012 1 3 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.725 0.218 19433 1013 1 3 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.178 -3.552 19433 1014 1 3 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.088 -2.055 19433 1015 1 3 . 1 1 13 13 LEU H H 13 8.828 8.828 9.119 -0.291 19433 1016 1 3 . 1 1 14 14 ILE N N 14 123.438 123.438 121.907 1.531 19433 1017 1 3 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.611 -0.434 19433 1018 1 3 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.477 -1.963 19433 1019 1 3 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.917 -2.250 19433 1020 1 3 . 1 1 14 14 ILE H H 14 8.847 8.847 9.037 -0.190 19433 1021 1 3 . 1 1 15 15 ASN N N 15 123.130 123.130 124.293 -1.163 19433 1022 1 3 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.924 -0.044 19433 1023 1 3 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.785 -3.117 19433 1024 1 3 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.443 -3.622 19433 1025 1 3 . 1 1 15 15 ASN H H 15 8.446 8.446 9.047 -0.601 19433 1026 1 3 . 1 1 16 16 GLN N N 16 125.061 125.061 120.807 4.254 19433 1027 1 3 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.225 1.306 19433 1028 1 3 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.758 -2.598 19433 1029 1 3 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.982 -0.078 19433 1030 1 3 . 1 1 16 16 GLN H H 16 9.063 9.063 7.909 1.154 19433 1031 1 3 . 1 1 17 17 THR N N 17 110.936 110.936 111.149 -0.213 19433 1032 1 3 . 1 1 17 17 THR HA H 17 4.415 4.415 4.156 0.259 19433 1033 1 3 . 1 1 17 17 THR CA C 17 58.240 58.240 59.215 -0.975 19433 1034 1 3 . 1 1 17 17 THR CB C 17 67.913 67.913 70.021 -2.108 19433 1035 1 3 . 1 1 17 17 THR H H 17 7.765 7.765 7.601 0.164 19433 1036 1 3 . 1 1 18 18 TYR N N 18 112.380 112.380 115.737 -3.357 19433 1037 1 3 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.787 -0.432 19433 1038 1 3 . 1 1 18 18 TYR CA C 18 54.029 54.029 54.496 -0.467 19433 1039 1 3 . 1 1 18 18 TYR CB C 18 34.567 34.567 36.701 -2.134 19433 1040 1 3 . 1 1 18 18 TYR H H 18 6.950 6.950 7.848 -0.898 19433 1041 1 3 . 1 1 19 19 PHE N N 19 119.710 119.710 116.247 3.463 19433 1042 1 3 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.928 0.068 19433 1043 1 3 . 1 1 19 19 PHE CA C 19 52.010 52.010 55.041 -3.031 19433 1044 1 3 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.614 -2.143 19433 1045 1 3 . 1 1 19 19 PHE H H 19 8.014 8.014 6.800 1.214 19433 1046 1 3 . 1 1 20 20 ASN N N 20 117.921 117.921 118.737 -0.816 19433 1047 1 3 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.419 -0.730 19433 1048 1 3 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.292 -0.255 19433 1049 1 3 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.832 -4.526 19433 1050 1 3 . 1 1 20 20 ASN H H 20 8.724 8.724 8.533 0.191 19433 1051 1 3 . 1 1 21 21 VAL N N 21 115.311 115.311 116.952 -1.641 19433 1052 1 3 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.859 0.025 19433 1053 1 3 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.989 -2.488 19433 1054 1 3 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.396 -3.551 19433 1055 1 3 . 1 1 21 21 VAL H H 21 8.186 8.186 8.918 -0.732 19433 1056 1 3 . 1 1 22 22 LYS N N 22 119.772 119.772 120.973 -1.201 19433 1057 1 3 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.701 0.301 19433 1058 1 3 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.911 -4.378 19433 1059 1 3 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.051 1.214 19433 1060 1 3 . 1 1 22 22 LYS H H 22 9.331 9.331 8.259 1.072 19433 1061 1 3 . 1 1 23 23 ASN N N 23 116.781 116.781 114.678 2.103 19433 1062 1 3 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.790 -0.587 19433 1063 1 3 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.969 -2.036 19433 1064 1 3 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.200 -4.681 19433 1065 1 3 . 1 1 23 23 ASN H H 23 8.573 8.573 8.035 0.538 19433 1066 1 3 . 1 1 24 24 ILE N N 24 118.303 118.303 120.890 -2.587 19433 1067 1 3 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.245 0.499 19433 1068 1 3 . 1 1 24 24 ILE CA C 24 57.544 57.544 60.727 -3.183 19433 1069 1 3 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.434 -2.198 19433 1070 1 3 . 1 1 24 24 ILE H H 24 8.329 8.329 8.435 -0.106 19433 1071 1 3 . 1 1 25 25 LYS N N 25 129.189 129.189 128.548 0.641 19433 1072 1 3 . 1 1 25 25 LYS HA H 25 4.886 4.886 5.199 -0.313 19433 1073 1 3 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.234 -1.473 19433 1074 1 3 . 1 1 25 25 LYS CB C 25 31.647 31.647 35.614 -3.966 19433 1075 1 3 . 1 1 25 25 LYS H H 25 9.102 9.102 9.014 0.088 19433 1076 1 3 . 1 1 26 26 VAL N N 26 129.283 129.283 117.377 11.906 19433 1077 1 3 . 1 1 26 26 VAL HA H 26 4.966 4.966 5.315 -0.349 19433 1078 1 3 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.788 -1.689 19433 1079 1 3 . 1 1 26 26 VAL CB C 26 31.370 31.370 35.800 -4.430 19433 1080 1 3 . 1 1 26 26 VAL H H 26 9.057 9.057 8.761 0.296 19433 1081 1 3 . 1 1 27 27 THR N N 27 120.185 120.185 119.607 0.578 19433 1082 1 3 . 1 1 27 27 THR HA H 27 5.542 5.542 5.281 0.261 19433 1083 1 3 . 1 1 27 27 THR CA C 27 56.977 56.977 61.946 -4.969 19433 1084 1 3 . 1 1 27 27 THR CB C 27 68.220 68.220 70.764 -2.544 19433 1085 1 3 . 1 1 27 27 THR H H 27 9.177 9.177 8.940 0.237 19433 1086 1 3 . 1 1 28 28 TRP N N 28 123.046 123.046 126.630 -3.584 19433 1087 1 3 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.298 0.092 19433 1088 1 3 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.320 -1.703 19433 1089 1 3 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.267 -0.305 19433 1090 1 3 . 1 1 28 28 TRP H H 28 8.787 8.787 8.787 -0.000 19433 1091 1 3 . 1 1 29 29 ASN N N 29 116.792 116.792 117.443 -0.651 19433 1092 1 3 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.773 -1.357 19433 1093 1 3 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.632 -1.367 19433 1094 1 3 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.028 -6.849 19433 1095 1 3 . 1 1 29 29 ASN H H 29 8.193 8.193 7.564 0.629 19433 1096 1 3 . 1 1 30 30 ASP N N 30 118.710 118.710 122.146 -3.436 19433 1097 1 3 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.589 -0.072 19433 1098 1 3 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.988 -3.526 19433 1099 1 3 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.118 -2.620 19433 1100 1 3 . 1 1 30 30 ASP H H 30 8.937 8.937 8.558 0.379 19433 1101 1 3 . 1 1 31 31 GLY N N 31 106.542 106.542 109.257 -2.715 19433 1102 1 3 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.687 -1.221 19433 1103 1 3 . 1 1 31 31 GLY H H 31 7.594 7.594 7.798 -0.204 19433 1104 1 3 . 1 1 32 32 LYS N N 32 121.904 121.904 124.796 -2.892 19433 1105 1 3 . 1 1 32 32 LYS HA H 32 3.889 3.889 3.899 -0.010 19433 1106 1 3 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.918 -3.093 19433 1107 1 3 . 1 1 32 32 LYS CB C 32 28.130 28.130 30.515 -2.385 19433 1108 1 3 . 1 1 32 32 LYS H H 32 7.510 7.510 8.140 -0.630 19433 1109 1 3 . 1 1 33 33 GLU N N 33 119.124 119.124 122.218 -3.094 19433 1110 1 3 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.187 0.093 19433 1111 1 3 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.097 -1.766 19433 1112 1 3 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.758 -2.049 19433 1113 1 3 . 1 1 33 33 GLU H H 33 7.843 7.843 7.728 0.115 19433 1114 1 3 . 1 1 34 34 GLN N N 34 123.230 123.230 118.151 5.079 19433 1115 1 3 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.687 -0.264 19433 1116 1 3 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.978 -2.682 19433 1117 1 3 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.090 -1.848 19433 1118 1 3 . 1 1 34 34 GLN H H 34 9.114 9.114 8.706 0.408 19433 1119 1 3 . 1 1 35 35 THR N N 35 119.194 119.194 114.709 4.485 19433 1120 1 3 . 1 1 35 35 THR HA H 35 5.241 5.241 5.082 0.159 19433 1121 1 3 . 1 1 35 35 THR CA C 35 58.075 58.075 59.642 -1.567 19433 1122 1 3 . 1 1 35 35 THR CB C 35 67.936 67.936 70.471 -2.535 19433 1123 1 3 . 1 1 35 35 THR H H 35 8.397 8.397 8.235 0.162 19433 1124 1 3 . 1 1 36 36 VAL N N 36 126.317 126.317 123.719 2.598 19433 1125 1 3 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.092 0.074 19433 1126 1 3 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.669 -3.373 19433 1127 1 3 . 1 1 36 36 VAL CB C 36 31.785 31.785 33.042 -1.257 19433 1128 1 3 . 1 1 36 36 VAL H H 36 8.976 8.976 7.838 1.138 19433 1129 1 3 . 1 1 37 37 ASN N N 37 126.536 126.536 119.711 6.825 19433 1130 1 3 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.542 -0.181 19433 1131 1 3 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.418 -0.324 19433 1132 1 3 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.843 -3.089 19433 1133 1 3 . 1 1 37 37 ASN H H 37 8.974 8.974 8.648 0.326 19433 1134 1 3 . 1 1 38 38 THR N N 38 112.460 112.460 112.575 -0.115 19433 1135 1 3 . 1 1 38 38 THR HA H 38 4.850 4.850 4.759 0.091 19433 1136 1 3 . 1 1 38 38 THR CA C 38 58.536 58.536 61.773 -3.237 19433 1137 1 3 . 1 1 38 38 THR CB C 38 69.085 69.085 71.717 -2.632 19433 1138 1 3 . 1 1 38 38 THR H H 38 7.762 7.762 7.757 0.005 19433 1139 1 3 . 1 1 39 39 LEU N N 39 126.316 126.316 123.979 2.337 19433 1140 1 3 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.703 -0.160 19433 1141 1 3 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.582 -1.797 19433 1142 1 3 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.329 -2.988 19433 1143 1 3 . 1 1 39 39 LEU H H 39 8.572 8.572 9.221 -0.649 19433 1144 1 3 . 1 1 40 40 GLY N N 40 116.669 116.669 112.559 4.110 19433 1145 1 3 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.471 -2.206 19433 1146 1 3 . 1 1 40 40 GLY H H 40 9.303 9.303 8.197 1.106 19433 1147 1 3 . 1 1 41 41 SER N N 41 113.384 113.384 115.673 -2.289 19433 1148 1 3 . 1 1 41 41 SER HA H 41 3.612 3.612 4.045 -0.433 19433 1149 1 3 . 1 1 41 41 SER CA C 41 56.211 56.211 59.310 -3.099 19433 1150 1 3 . 1 1 41 41 SER CB C 41 60.482 60.482 63.551 -3.069 19433 1151 1 3 . 1 1 41 41 SER H H 41 7.883 7.883 8.339 -0.456 19433 1152 1 3 . 1 1 42 42 HIS N N 42 120.045 120.045 119.566 0.479 19433 1153 1 3 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.141 0.291 19433 1154 1 3 . 1 1 42 42 HIS CA C 42 55.004 55.004 57.745 -2.740 19433 1155 1 3 . 1 1 42 42 HIS CB C 42 23.445 23.445 27.497 -4.052 19433 1156 1 3 . 1 1 42 42 HIS H H 42 7.882 7.882 8.858 -0.976 19433 1157 1 3 . 1 1 43 43 ASP N N 43 119.308 119.308 119.351 -0.043 19433 1158 1 3 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.988 0.049 19433 1159 1 3 . 1 1 43 43 ASP CA C 43 50.078 50.078 53.598 -3.520 19433 1160 1 3 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.739 -2.030 19433 1161 1 3 . 1 1 43 43 ASP H H 43 7.906 7.906 7.773 0.133 19433 1162 1 3 . 1 1 44 44 SER N N 44 111.544 111.544 113.587 -2.043 19433 1163 1 3 . 1 1 44 44 SER HA H 44 5.617 5.617 5.416 0.201 19433 1164 1 3 . 1 1 44 44 SER CA C 44 53.597 53.597 57.527 -3.930 19433 1165 1 3 . 1 1 44 44 SER CB C 44 65.207 65.207 66.515 -1.308 19433 1166 1 3 . 1 1 44 44 SER H H 44 8.396 8.396 8.560 -0.164 19433 1167 1 3 . 1 1 45 45 ILE N N 45 119.898 119.898 120.954 -1.056 19433 1168 1 3 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.675 -0.165 19433 1169 1 3 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.411 -3.371 19433 1170 1 3 . 1 1 45 45 ILE CB C 45 39.246 39.246 41.680 -2.434 19433 1171 1 3 . 1 1 45 45 ILE H H 45 8.726 8.726 8.907 -0.181 19433 1172 1 3 . 1 1 46 46 ASP N N 46 123.866 123.866 125.271 -1.405 19433 1173 1 3 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.437 0.084 19433 1174 1 3 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.560 -3.187 19433 1175 1 3 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.106 -2.294 19433 1176 1 3 . 1 1 46 46 ASP H H 46 7.891 7.891 8.271 -0.381 19433 1177 1 3 . 1 1 47 47 PHE N N 47 116.649 116.649 116.474 0.175 19433 1178 1 3 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.829 -0.056 19433 1179 1 3 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.086 -2.998 19433 1180 1 3 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.300 -3.560 19433 1181 1 3 . 1 1 47 47 PHE H H 47 8.654 8.654 8.329 0.325 19433 1182 1 3 . 1 1 48 48 SER N N 48 114.033 114.033 117.910 -3.877 19433 1183 1 3 . 1 1 48 48 SER HA H 48 4.729 4.729 4.215 0.514 19433 1184 1 3 . 1 1 48 48 SER CA C 48 49.403 49.403 59.183 -9.780 19433 1185 1 3 . 1 1 48 48 SER CB C 48 61.957 61.957 63.879 -1.922 19433 1186 1 3 . 1 1 48 48 SER H H 48 8.667 8.667 8.401 0.266 19433 1187 1 3 . 1 1 49 49 SER N N 49 119.169 119.169 114.540 4.629 19433 1188 1 3 . 1 1 49 49 SER HA H 49 4.357 4.357 4.495 -0.138 19433 1189 1 3 . 1 1 49 49 SER CA C 49 55.003 55.003 57.154 -2.151 19433 1190 1 3 . 1 1 49 49 SER CB C 49 61.708 61.708 65.198 -3.490 19433 1191 1 3 . 1 1 49 49 SER H H 49 8.644 8.644 7.967 0.677 19433 1192 1 3 . 1 1 50 50 ASP N N 50 120.389 120.389 123.091 -2.702 19433 1193 1 3 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.792 -0.347 19433 1194 1 3 . 1 1 50 50 ASP CA C 50 52.432 52.432 53.485 -1.053 19433 1195 1 3 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.675 -2.553 19433 1196 1 3 . 1 1 50 50 ASP H H 50 8.743 8.743 9.367 -0.624 19433 1197 1 3 . 1 1 51 51 ALA N N 51 120.149 120.149 120.667 -0.518 19433 1198 1 3 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.707 -0.081 19433 1199 1 3 . 1 1 51 51 ALA CA C 51 48.702 48.702 50.798 -2.096 19433 1200 1 3 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.397 -2.201 19433 1201 1 3 . 1 1 51 51 ALA H H 51 8.178 8.178 7.278 0.900 19433 1202 1 3 . 1 1 52 52 GLY N N 52 106.575 106.575 105.912 0.663 19433 1203 1 3 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.021 -3.154 19433 1204 1 3 . 1 1 52 52 GLY H H 52 8.465 8.465 8.796 -0.331 19433 1205 1 3 . 1 1 53 53 SER N N 53 111.247 111.247 111.703 -0.456 19433 1206 1 3 . 1 1 53 53 SER HA H 53 4.371 4.371 4.527 -0.156 19433 1207 1 3 . 1 1 53 53 SER CA C 53 55.270 55.270 57.290 -2.020 19433 1208 1 3 . 1 1 53 53 SER CB C 53 61.515 61.515 65.440 -3.925 19433 1209 1 3 . 1 1 53 53 SER H H 53 7.606 7.606 7.441 0.165 19433 1210 1 3 . 1 1 54 54 VAL N N 54 124.481 124.481 121.064 3.417 19433 1211 1 3 . 1 1 54 54 VAL HA H 54 4.306 4.306 3.963 0.343 19433 1212 1 3 . 1 1 54 54 VAL CA C 54 59.775 59.775 60.709 -0.934 19433 1213 1 3 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.556 -4.864 19433 1214 1 3 . 1 1 54 54 VAL H H 54 8.587 8.587 8.446 0.141 19433 1215 1 3 . 1 1 55 55 TYR N N 55 122.616 122.616 117.922 4.694 19433 1216 1 3 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.058 0.123 19433 1217 1 3 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.416 -1.734 19433 1218 1 3 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.356 -2.479 19433 1219 1 3 . 1 1 55 55 TYR H H 55 8.586 8.586 8.101 0.485 19433 1220 1 3 . 1 1 56 56 LYS N N 56 121.197 121.197 119.154 2.043 19433 1221 1 3 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.023 -0.267 19433 1222 1 3 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.236 -1.830 19433 1223 1 3 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.744 -4.271 19433 1224 1 3 . 1 1 56 56 LYS H H 56 7.276 7.276 7.538 -0.262 19433 1225 1 3 . 1 1 57 57 MET N N 57 122.040 122.040 121.397 0.643 19433 1226 1 3 . 1 1 57 57 MET HA H 57 5.440 5.440 5.135 0.305 19433 1227 1 3 . 1 1 57 57 MET CA C 57 52.893 52.893 55.455 -2.562 19433 1228 1 3 . 1 1 57 57 MET CB C 57 35.646 35.646 37.266 -1.620 19433 1229 1 3 . 1 1 57 57 MET H H 57 8.637 8.637 9.215 -0.578 19433 1230 1 3 . 1 1 58 58 ASP N N 58 125.086 125.086 129.153 -4.067 19433 1231 1 3 . 1 1 58 58 ASP HA H 58 5.740 5.740 4.914 0.826 19433 1232 1 3 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.289 -2.505 19433 1233 1 3 . 1 1 58 58 ASP CB C 58 42.339 42.339 42.109 0.230 19433 1234 1 3 . 1 1 58 58 ASP H H 58 9.367 9.367 9.013 0.354 19433 1235 1 3 . 1 1 59 59 VAL N N 59 120.817 120.817 125.279 -4.462 19433 1236 1 3 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.400 0.658 19433 1237 1 3 . 1 1 59 59 VAL CA C 59 58.103 58.103 61.907 -3.804 19433 1238 1 3 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.053 0.729 19433 1239 1 3 . 1 1 59 59 VAL H H 59 8.890 8.890 8.546 0.344 19433 1240 1 3 . 1 1 60 60 THR N N 60 120.028 120.028 120.933 -0.905 19433 1241 1 3 . 1 1 60 60 THR HA H 60 5.125 5.125 4.916 0.209 19433 1242 1 3 . 1 1 60 60 THR CA C 60 56.923 56.923 61.087 -4.164 19433 1243 1 3 . 1 1 60 60 THR CB C 60 68.946 68.946 70.336 -1.390 19433 1244 1 3 . 1 1 60 60 THR H H 60 8.578 8.578 9.005 -0.426 19433 1245 1 3 . 1 1 61 61 GLY N N 61 108.812 108.812 113.560 -4.748 19433 1246 1 3 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.136 -0.942 19433 1247 1 3 . 1 1 61 61 GLY H H 61 7.330 7.330 8.205 -0.875 19433 1248 1 3 . 1 1 62 62 THR N N 62 111.342 111.342 115.703 -4.361 19433 1249 1 3 . 1 1 62 62 THR HA H 62 5.333 5.333 5.538 -0.205 19433 1250 1 3 . 1 1 62 62 THR CA C 62 57.514 57.514 61.170 -3.656 19433 1251 1 3 . 1 1 62 62 THR CB C 62 69.348 69.348 72.280 -2.932 19433 1252 1 3 . 1 1 62 62 THR H H 62 8.013 8.013 8.134 -0.121 19433 1253 1 3 . 1 1 63 63 THR N N 63 115.003 115.003 115.741 -0.738 19433 1254 1 3 . 1 1 63 63 THR HA H 63 4.751 4.751 4.853 -0.102 19433 1255 1 3 . 1 1 63 63 THR CA C 63 58.700 58.700 60.279 -1.579 19433 1256 1 3 . 1 1 63 63 THR CB C 63 68.654 68.654 70.881 -2.227 19433 1257 1 3 . 1 1 63 63 THR H H 63 9.432 9.432 9.015 0.417 19433 1258 1 3 . 1 1 64 64 GLN N N 64 120.671 120.671 121.672 -1.001 19433 1259 1 3 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.069 -0.227 19433 1260 1 3 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.849 -2.577 19433 1261 1 3 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.325 -2.239 19433 1262 1 3 . 1 1 64 64 GLN H H 64 8.037 8.037 8.814 -0.777 19433 1263 1 3 . 1 1 65 65 SER N N 65 110.096 110.096 112.461 -2.365 19433 1264 1 3 . 1 1 65 65 SER HA H 65 4.351 4.351 4.333 0.017 19433 1265 1 3 . 1 1 65 65 SER CA C 65 55.577 55.577 58.267 -2.689 19433 1266 1 3 . 1 1 65 65 SER CB C 65 60.350 60.350 63.646 -3.296 19433 1267 1 3 . 1 1 65 65 SER H H 65 7.670 7.670 7.634 0.036 19433 1268 1 3 . 1 1 66 66 GLY N N 66 109.466 109.466 108.924 0.542 19433 1269 1 3 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.019 -2.369 19433 1270 1 3 . 1 1 66 66 GLY H H 66 7.810 7.810 7.691 0.119 19433 1271 1 3 . 1 1 67 67 GLU N N 67 121.149 121.149 121.193 -0.044 19433 1272 1 3 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.326 -0.023 19433 1273 1 3 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.063 -2.144 19433 1274 1 3 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.937 -3.907 19433 1275 1 3 . 1 1 67 67 GLU H H 67 7.518 7.518 7.817 -0.299 19433 1276 1 3 . 1 1 68 68 LYS N N 68 124.553 124.553 125.828 -1.275 19433 1277 1 3 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.985 -0.099 19433 1278 1 3 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.626 -2.624 19433 1279 1 3 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.694 -3.195 19433 1280 1 3 . 1 1 68 68 LYS H H 68 8.631 8.631 8.589 0.042 19433 1281 1 3 . 1 1 69 69 PHE N N 69 119.363 119.363 122.049 -2.686 19433 1282 1 3 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.012 0.150 19433 1283 1 3 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.773 -3.163 19433 1284 1 3 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.160 -1.629 19433 1285 1 3 . 1 1 69 69 PHE H H 69 8.180 8.180 8.576 -0.396 19433 1286 1 3 . 1 1 70 70 THR N N 70 113.468 113.468 112.685 0.783 19433 1287 1 3 . 1 1 70 70 THR HA H 70 5.331 5.331 4.960 0.371 19433 1288 1 3 . 1 1 70 70 THR CA C 70 57.694 57.694 59.314 -1.620 19433 1289 1 3 . 1 1 70 70 THR CB C 70 69.969 69.969 72.574 -2.605 19433 1290 1 3 . 1 1 70 70 THR H H 70 8.623 8.623 8.225 0.398 19433 1291 1 3 . 1 1 71 71 GLY N N 71 110.469 110.469 108.212 2.257 19433 1292 1 3 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.327 -1.569 19433 1293 1 3 . 1 1 71 71 GLY H H 71 8.955 8.955 8.157 0.798 19433 1294 1 3 . 1 1 72 72 HIS N N 72 121.565 121.565 119.511 2.054 19433 1295 1 3 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.169 1.117 19433 1296 1 3 . 1 1 72 72 HIS CA C 72 51.920 51.920 57.065 -5.145 19433 1297 1 3 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.548 1.861 19433 1298 1 3 . 1 1 72 72 HIS H H 72 8.162 8.162 7.784 0.378 19433 1299 1 3 . 1 1 73 73 PHE N N 73 122.114 122.114 122.440 -0.326 19433 1300 1 3 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.819 0.175 19433 1301 1 3 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.089 -3.087 19433 1302 1 3 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.273 -1.995 19433 1303 1 3 . 1 1 73 73 PHE H H 73 9.117 9.117 8.509 0.608 19433 1304 1 3 . 1 1 74 74 LYS N N 74 122.834 122.834 120.934 1.900 19433 1305 1 3 . 1 1 74 74 LYS HA H 74 4.876 4.876 5.211 -0.335 19433 1306 1 3 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.110 -2.309 19433 1307 1 3 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.542 -3.801 19433 1308 1 3 . 1 1 74 74 LYS H H 74 8.889 8.889 8.620 0.269 19433 1309 1 3 . 1 1 75 75 GLY N N 75 109.821 109.821 108.169 1.652 19433 1310 1 3 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.608 -1.373 19433 1311 1 3 . 1 1 75 75 GLY H H 75 8.418 8.418 8.343 0.075 19433 1312 1 3 . 1 1 76 76 LEU N N 76 119.557 119.557 119.696 -0.139 19433 1313 1 3 . 1 1 76 76 LEU HA H 76 4.340 4.340 5.039 -0.699 19433 1314 1 3 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.221 -1.847 19433 1315 1 3 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.809 -3.150 19433 1316 1 3 . 1 1 76 76 LEU H H 76 7.893 7.893 7.861 0.032 19433 1317 1 3 . 1 1 77 77 VAL N N 77 118.411 118.411 116.379 2.032 19433 1318 1 3 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.475 -0.082 19433 1319 1 3 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.208 -1.763 19433 1320 1 3 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.540 -2.328 19433 1321 1 3 . 1 1 77 77 VAL H H 77 8.583 8.583 7.924 0.659 19433 1322 1 3 . 1 1 78 78 GLY N N 78 111.284 111.284 107.994 3.290 19433 1323 1 3 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.431 -2.433 19433 1324 1 3 . 1 1 78 78 GLY H H 78 8.218 8.218 8.135 0.083 19433 1325 1 3 . 1 1 79 79 LYS N N 79 120.895 120.895 120.095 0.800 19433 1326 1 3 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.338 -0.061 19433 1327 1 3 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.227 -1.776 19433 1328 1 3 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.801 -2.524 19433 1329 1 3 . 1 1 79 79 LYS H H 79 8.347 8.347 8.420 -0.073 19433 1330 1 3 . 1 1 80 80 ASP N N 80 119.681 119.681 116.302 3.379 19433 1331 1 3 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.470 -0.663 19433 1332 1 3 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.072 -0.838 19433 1333 1 3 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.005 -4.981 19433 1334 1 3 . 1 1 80 80 ASP H H 80 7.993 7.993 7.547 0.446 19433 1335 1 3 . 1 1 81 81 THR N N 81 118.659 118.659 114.730 3.929 19433 1336 1 3 . 1 1 81 81 THR HA H 81 4.076 4.076 4.593 -0.517 19433 1337 1 3 . 1 1 81 81 THR CA C 81 60.371 60.371 61.143 -0.772 19433 1338 1 3 . 1 1 81 81 THR CB C 81 67.694 67.694 71.639 -3.946 19433 1339 1 3 . 1 1 81 81 THR H H 81 8.002 8.002 8.310 -0.308 19433 1340 1 3 . 1 1 82 82 ARG N N 82 127.944 127.944 121.777 6.167 19433 1341 1 3 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.281 -0.684 19433 1342 1 3 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.517 -2.346 19433 1343 1 3 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.885 -4.277 19433 1344 1 3 . 1 1 82 82 ARG H H 82 8.183 8.183 8.226 -0.043 19433 1345 1 3 . 1 1 83 83 VAL N N 83 121.617 121.617 118.823 2.794 19433 1346 1 3 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.347 -0.283 19433 1347 1 3 . 1 1 83 83 VAL CA C 83 57.675 57.675 62.113 -4.438 19433 1348 1 3 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.762 -4.447 19433 1349 1 3 . 1 1 83 83 VAL H H 83 8.639 8.639 8.303 0.336 19433 1350 1 3 . 1 1 84 84 PHE N N 84 124.702 124.702 127.247 -2.545 19433 1351 1 3 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.784 0.183 19433 1352 1 3 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.604 -0.805 19433 1353 1 3 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.323 0.365 19433 1354 1 3 . 1 1 84 84 PHE H H 84 9.198 9.198 9.027 0.171 19433 1355 1 3 . 1 1 85 85 ILE N N 85 123.027 123.027 124.852 -1.825 19433 1356 1 3 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.180 0.267 19433 1357 1 3 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.522 -4.609 19433 1358 1 3 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.437 -1.567 19433 1359 1 3 . 1 1 85 85 ILE H H 85 8.650 8.650 8.501 0.149 19433 1360 1 3 . 1 1 86 86 GLU N N 86 124.137 124.137 123.673 0.464 19433 1361 1 3 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.579 -0.004 19433 1362 1 3 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.430 -2.899 19433 1363 1 3 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.431 -0.904 19433 1364 1 3 . 1 1 86 86 GLU H H 86 8.754 8.754 8.215 0.539 19433 1365 1 3 . 1 1 87 87 LEU N N 87 120.087 120.087 119.872 0.215 19433 1366 1 3 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.077 -0.216 19433 1367 1 3 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.472 -3.342 19433 1368 1 3 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.329 -2.069 19433 1369 1 3 . 1 1 87 87 LEU H H 87 8.394 8.394 8.461 -0.067 19433 1370 1 3 . 1 1 88 88 ASP N N 88 123.072 123.072 118.408 4.664 19433 1371 1 3 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.837 -0.178 19433 1372 1 3 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.804 -3.586 19433 1373 1 3 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.524 -4.417 19433 1374 1 3 . 1 1 88 88 ASP H H 88 8.770 8.770 8.388 0.382 19433 1375 1 3 . 1 1 89 89 GLU N N 89 117.437 117.437 117.521 -0.084 19433 1376 1 3 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.053 0.023 19433 1377 1 3 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.177 -3.189 19433 1378 1 3 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.689 -2.527 19433 1379 1 3 . 1 1 89 89 GLU H H 89 9.033 9.033 8.881 0.152 19433 1380 1 3 . 1 1 90 90 ASN N N 90 118.824 118.824 118.445 0.379 19433 1381 1 3 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.910 -0.124 19433 1382 1 3 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.863 -2.693 19433 1383 1 3 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.875 -3.179 19433 1384 1 3 . 1 1 90 90 ASN H H 90 8.351 8.351 8.036 0.315 19433 1385 1 3 . 1 1 91 91 ALA N N 91 118.167 118.167 120.661 -2.494 19433 1386 1 3 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.923 -0.171 19433 1387 1 3 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.121 -1.866 19433 1388 1 3 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.675 -3.757 19433 1389 1 3 . 1 1 91 91 ALA H H 91 8.284 8.284 8.287 -0.003 19433 1390 1 3 . 1 1 92 92 ASP N N 92 118.574 118.574 118.137 0.437 19433 1391 1 3 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.906 0.026 19433 1392 1 3 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.211 -3.395 19433 1393 1 3 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.022 -3.852 19433 1394 1 3 . 1 1 92 92 ASP H H 92 8.215 8.215 7.909 0.306 19433 1395 1 3 . 1 1 93 93 VAL N N 93 121.604 121.604 121.511 0.093 19433 1396 1 3 . 1 1 93 93 VAL HA H 93 4.069 4.069 3.996 0.073 19433 1397 1 3 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.132 -2.678 19433 1398 1 3 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.164 -1.176 19433 1399 1 3 . 1 1 93 93 VAL H H 93 8.440 8.440 8.635 -0.195 19433 1400 1 3 . 1 1 94 94 GLN N N 94 125.344 125.344 126.041 -0.697 19433 1401 1 3 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.708 0.053 19433 1402 1 3 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.423 -3.109 19433 1403 1 3 . 1 1 94 94 GLN CB C 94 29.399 29.399 30.903 -1.504 19433 1404 1 3 . 1 1 94 94 GLN H H 94 8.958 8.958 7.739 1.219 19433 1405 1 3 . 1 1 95 95 VAL N N 95 119.370 119.370 118.063 1.307 19433 1406 1 3 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.614 0.447 19433 1407 1 3 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.596 -4.316 19433 1408 1 3 . 1 1 95 95 VAL CB C 95 30.926 30.926 35.452 -4.526 19433 1409 1 3 . 1 1 95 95 VAL H H 95 8.420 8.420 8.368 0.052 19433 1410 1 3 . 1 1 96 96 PHE N N 96 126.219 126.219 127.937 -1.718 19433 1411 1 3 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.171 -0.139 19433 1412 1 3 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.051 -2.161 19433 1413 1 3 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.169 -3.666 19433 1414 1 3 . 1 1 96 96 PHE H H 96 9.314 9.314 9.310 0.004 19433 1415 1 3 . 1 1 97 97 ILE N N 97 123.424 123.424 115.910 7.514 19433 1416 1 3 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.032 0.782 19433 1417 1 3 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.108 -2.042 19433 1418 1 3 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.689 -3.412 19433 1419 1 3 . 1 1 97 97 ILE H H 97 7.613 7.613 6.637 0.976 19433 1420 1 3 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.310 -0.040 19433 1421 1 3 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.615 -2.618 19433 1422 1 3 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.165 -1.508 19433 1423 1 3 . 1 1 99 99 GLN N N 99 121.028 121.028 122.964 -1.936 19433 1424 1 3 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.522 -0.067 19433 1425 1 3 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.519 -1.899 19433 1426 1 3 . 1 1 99 99 GLN CB C 99 28.443 28.443 32.041 -3.598 19433 1427 1 3 . 1 1 99 99 GLN H H 99 8.507 8.507 8.009 0.498 19433 1428 1 3 . 1 1 100 100 GLY N N 100 110.029 110.029 108.813 1.216 19433 1429 1 3 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.975 -3.347 19433 1430 1 3 . 1 1 100 100 GLY H H 100 8.356 8.356 8.438 -0.082 19433 1431 1 3 . 1 1 101 101 GLU N N 101 120.385 120.385 122.186 -1.801 19433 1432 1 3 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.369 -0.078 19433 1433 1 3 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.995 -2.244 19433 1434 1 3 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.386 -0.556 19433 1435 1 3 . 1 1 101 101 GLU H H 101 8.378 8.378 8.616 -0.238 19433 1436 1 3 . 1 1 102 102 ILE N N 102 120.838 120.838 121.288 -0.450 19433 1437 1 3 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.348 -0.182 19433 1438 1 3 . 1 1 102 102 ILE CA C 102 58.368 58.368 61.059 -2.691 19433 1439 1 3 . 1 1 102 102 ILE CB C 102 36.713 36.713 39.066 -2.353 19433 1440 1 3 . 1 1 102 102 ILE H H 102 8.168 8.168 7.614 0.554 19433 1441 1 4 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.978 -0.747 19433 1442 1 4 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.598 -2.065 19433 1443 1 4 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.773 -4.128 19433 1444 1 4 . 1 1 3 3 GLN N N 3 118.180 118.180 117.080 1.100 19433 1445 1 4 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.406 -0.138 19433 1446 1 4 . 1 1 3 3 GLN CB C 3 26.439 26.439 30.038 -3.599 19433 1447 1 4 . 1 1 3 3 GLN H H 3 8.579 8.579 8.840 -0.261 19433 1448 1 4 . 1 1 4 4 ASP N N 4 120.328 120.328 118.148 2.180 19433 1449 1 4 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.735 -0.238 19433 1450 1 4 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.508 -2.743 19433 1451 1 4 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.439 -2.917 19433 1452 1 4 . 1 1 4 4 ASP H H 4 8.061 8.061 8.086 -0.025 19433 1453 1 4 . 1 1 5 5 GLY N N 5 109.114 109.114 109.521 -0.407 19433 1454 1 4 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.259 -2.229 19433 1455 1 4 . 1 1 5 5 GLY H H 5 8.322 8.322 8.137 0.185 19433 1456 1 4 . 1 1 6 6 LYS N N 6 120.397 120.397 120.009 0.388 19433 1457 1 4 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.561 -0.264 19433 1458 1 4 . 1 1 6 6 LYS CA C 6 53.319 53.319 55.981 -2.662 19433 1459 1 4 . 1 1 6 6 LYS CB C 6 30.441 30.441 34.352 -3.911 19433 1460 1 4 . 1 1 6 6 LYS H H 6 8.030 8.030 7.663 0.367 19433 1461 1 4 . 1 1 7 7 GLU N N 7 122.113 122.113 123.673 -1.560 19433 1462 1 4 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.466 -0.171 19433 1463 1 4 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.923 -2.636 19433 1464 1 4 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.537 -2.780 19433 1465 1 4 . 1 1 7 7 GLU H H 7 8.464 8.464 8.651 -0.187 19433 1466 1 4 . 1 1 8 8 THR N N 8 114.459 114.459 111.830 2.629 19433 1467 1 4 . 1 1 8 8 THR HA H 8 4.543 4.543 4.800 -0.257 19433 1468 1 4 . 1 1 8 8 THR CA C 8 57.966 57.966 59.927 -1.961 19433 1469 1 4 . 1 1 8 8 THR CB C 8 68.123 68.123 71.195 -3.072 19433 1470 1 4 . 1 1 8 8 THR H H 8 7.984 7.984 7.597 0.387 19433 1471 1 4 . 1 1 9 9 THR N N 9 116.229 116.229 113.181 3.048 19433 1472 1 4 . 1 1 9 9 THR HA H 9 4.584 4.584 4.824 -0.240 19433 1473 1 4 . 1 1 9 9 THR CA C 9 58.575 58.575 60.672 -2.097 19433 1474 1 4 . 1 1 9 9 THR CB C 9 67.866 67.866 70.801 -2.935 19433 1475 1 4 . 1 1 9 9 THR H H 9 8.140 8.140 7.935 0.205 19433 1476 1 4 . 1 1 10 10 THR N N 10 118.509 118.509 113.075 5.434 19433 1477 1 4 . 1 1 10 10 THR HA H 10 4.563 4.563 4.482 0.081 19433 1478 1 4 . 1 1 10 10 THR CA C 10 59.364 59.364 61.446 -2.082 19433 1479 1 4 . 1 1 10 10 THR CB C 10 68.411 68.411 72.361 -3.950 19433 1480 1 4 . 1 1 10 10 THR H H 10 8.544 8.544 7.990 0.554 19433 1481 1 4 . 1 1 11 11 ILE N N 11 126.772 126.772 120.756 6.016 19433 1482 1 4 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.924 -0.899 19433 1483 1 4 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.473 -2.150 19433 1484 1 4 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.989 -5.649 19433 1485 1 4 . 1 1 11 11 ILE H H 11 8.595 8.595 8.300 0.295 19433 1486 1 4 . 1 1 12 12 ARG N N 12 125.922 125.922 126.036 -0.114 19433 1487 1 4 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.724 0.269 19433 1488 1 4 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.027 -3.137 19433 1489 1 4 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.938 -2.974 19433 1490 1 4 . 1 1 12 12 ARG H H 12 8.031 8.031 8.223 -0.192 19433 1491 1 4 . 1 1 13 13 LEU N N 13 126.771 126.771 126.091 0.680 19433 1492 1 4 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.691 0.252 19433 1493 1 4 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.910 -3.284 19433 1494 1 4 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.366 -2.333 19433 1495 1 4 . 1 1 13 13 LEU H H 13 8.828 8.828 8.591 0.237 19433 1496 1 4 . 1 1 14 14 ILE N N 14 123.438 123.438 122.673 0.765 19433 1497 1 4 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.683 -0.506 19433 1498 1 4 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.195 -1.681 19433 1499 1 4 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.498 -1.831 19433 1500 1 4 . 1 1 14 14 ILE H H 14 8.847 8.847 8.899 -0.052 19433 1501 1 4 . 1 1 15 15 ASN N N 15 123.130 123.130 124.779 -1.649 19433 1502 1 4 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.711 0.169 19433 1503 1 4 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.238 -2.570 19433 1504 1 4 . 1 1 15 15 ASN CB C 15 34.821 34.821 37.932 -3.111 19433 1505 1 4 . 1 1 15 15 ASN H H 15 8.446 8.446 9.019 -0.573 19433 1506 1 4 . 1 1 16 16 GLN N N 16 125.061 125.061 120.852 4.209 19433 1507 1 4 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.064 1.467 19433 1508 1 4 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.078 -2.918 19433 1509 1 4 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.532 0.371 19433 1510 1 4 . 1 1 16 16 GLN H H 16 9.063 9.063 7.751 1.312 19433 1511 1 4 . 1 1 17 17 THR N N 17 110.936 110.936 110.170 0.766 19433 1512 1 4 . 1 1 17 17 THR HA H 17 4.415 4.415 4.422 -0.007 19433 1513 1 4 . 1 1 17 17 THR CA C 17 58.240 58.240 58.746 -0.506 19433 1514 1 4 . 1 1 17 17 THR CB C 17 67.913 67.913 70.019 -2.106 19433 1515 1 4 . 1 1 17 17 THR H H 17 7.765 7.765 7.827 -0.062 19433 1516 1 4 . 1 1 18 18 TYR N N 18 112.380 112.380 117.267 -4.887 19433 1517 1 4 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.723 -0.368 19433 1518 1 4 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.755 -1.726 19433 1519 1 4 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.424 -2.857 19433 1520 1 4 . 1 1 18 18 TYR H H 18 6.950 6.950 8.397 -1.447 19433 1521 1 4 . 1 1 19 19 PHE N N 19 119.710 119.710 117.988 1.722 19433 1522 1 4 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.872 0.124 19433 1523 1 4 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.899 -2.889 19433 1524 1 4 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.745 -1.274 19433 1525 1 4 . 1 1 19 19 PHE H H 19 8.014 8.014 7.031 0.983 19433 1526 1 4 . 1 1 20 20 ASN N N 20 117.921 117.921 117.104 0.817 19433 1527 1 4 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.341 -0.652 19433 1528 1 4 . 1 1 20 20 ASN CA C 20 52.037 52.037 51.984 0.053 19433 1529 1 4 . 1 1 20 20 ASN CB C 20 36.306 36.306 42.167 -5.862 19433 1530 1 4 . 1 1 20 20 ASN H H 20 8.724 8.724 8.478 0.246 19433 1531 1 4 . 1 1 21 21 VAL N N 21 115.311 115.311 115.960 -0.649 19433 1532 1 4 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.781 0.103 19433 1533 1 4 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.130 -2.629 19433 1534 1 4 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.460 -3.615 19433 1535 1 4 . 1 1 21 21 VAL H H 21 8.186 8.186 8.861 -0.675 19433 1536 1 4 . 1 1 22 22 LYS N N 22 119.772 119.772 121.812 -2.040 19433 1537 1 4 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.639 0.363 19433 1538 1 4 . 1 1 22 22 LYS CA C 22 51.533 51.533 56.234 -4.701 19433 1539 1 4 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.013 1.252 19433 1540 1 4 . 1 1 22 22 LYS H H 22 9.331 9.331 8.831 0.500 19433 1541 1 4 . 1 1 23 23 ASN N N 23 116.781 116.781 114.891 1.890 19433 1542 1 4 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.762 -0.559 19433 1543 1 4 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.641 -1.708 19433 1544 1 4 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.248 -4.728 19433 1545 1 4 . 1 1 23 23 ASN H H 23 8.573 8.573 8.249 0.324 19433 1546 1 4 . 1 1 24 24 ILE N N 24 118.303 118.303 122.635 -4.332 19433 1547 1 4 . 1 1 24 24 ILE HA H 24 4.744 4.744 3.935 0.809 19433 1548 1 4 . 1 1 24 24 ILE CA C 24 57.544 57.544 62.673 -5.129 19433 1549 1 4 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.175 -1.939 19433 1550 1 4 . 1 1 24 24 ILE H H 24 8.329 8.329 8.066 0.263 19433 1551 1 4 . 1 1 25 25 LYS N N 25 129.189 129.189 128.615 0.574 19433 1552 1 4 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.934 -0.048 19433 1553 1 4 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.125 -1.364 19433 1554 1 4 . 1 1 25 25 LYS CB C 25 31.647 31.647 34.536 -2.889 19433 1555 1 4 . 1 1 25 25 LYS H H 25 9.102 9.102 8.297 0.805 19433 1556 1 4 . 1 1 26 26 VAL N N 26 129.283 129.283 125.817 3.466 19433 1557 1 4 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.519 0.447 19433 1558 1 4 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.232 -2.133 19433 1559 1 4 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.060 -4.690 19433 1560 1 4 . 1 1 26 26 VAL H H 26 9.057 9.057 8.500 0.557 19433 1561 1 4 . 1 1 27 27 THR N N 27 120.185 120.185 120.463 -0.278 19433 1562 1 4 . 1 1 27 27 THR HA H 27 5.542 5.542 5.219 0.323 19433 1563 1 4 . 1 1 27 27 THR CA C 27 56.977 56.977 61.728 -4.751 19433 1564 1 4 . 1 1 27 27 THR CB C 27 68.220 68.220 71.118 -2.898 19433 1565 1 4 . 1 1 27 27 THR H H 27 9.177 9.177 7.730 1.447 19433 1566 1 4 . 1 1 28 28 TRP N N 28 123.046 123.046 123.448 -0.402 19433 1567 1 4 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.429 -0.039 19433 1568 1 4 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.305 -1.688 19433 1569 1 4 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.347 -1.385 19433 1570 1 4 . 1 1 28 28 TRP H H 28 8.787 8.787 8.701 0.086 19433 1571 1 4 . 1 1 29 29 ASN N N 29 116.792 116.792 117.849 -1.057 19433 1572 1 4 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.726 -1.310 19433 1573 1 4 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.916 -1.651 19433 1574 1 4 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.160 -6.981 19433 1575 1 4 . 1 1 29 29 ASN H H 29 8.193 8.193 7.780 0.413 19433 1576 1 4 . 1 1 30 30 ASP N N 30 118.710 118.710 121.456 -2.746 19433 1577 1 4 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.654 -0.137 19433 1578 1 4 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.132 -3.670 19433 1579 1 4 . 1 1 30 30 ASP CB C 30 36.498 36.498 38.717 -2.219 19433 1580 1 4 . 1 1 30 30 ASP H H 30 8.937 8.937 8.597 0.340 19433 1581 1 4 . 1 1 31 31 GLY N N 31 106.542 106.542 106.496 0.046 19433 1582 1 4 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.117 -1.651 19433 1583 1 4 . 1 1 31 31 GLY H H 31 7.594 7.594 7.746 -0.152 19433 1584 1 4 . 1 1 32 32 LYS N N 32 121.904 121.904 121.889 0.015 19433 1585 1 4 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.207 -0.318 19433 1586 1 4 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.686 -1.861 19433 1587 1 4 . 1 1 32 32 LYS CB C 32 28.130 28.130 32.087 -3.957 19433 1588 1 4 . 1 1 32 32 LYS H H 32 7.510 7.510 7.858 -0.348 19433 1589 1 4 . 1 1 33 33 GLU N N 33 119.124 119.124 123.148 -4.024 19433 1590 1 4 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.694 0.586 19433 1591 1 4 . 1 1 33 33 GLU CA C 33 52.331 52.331 53.874 -1.543 19433 1592 1 4 . 1 1 33 33 GLU CB C 33 31.709 31.709 32.960 -1.251 19433 1593 1 4 . 1 1 33 33 GLU H H 33 7.843 7.843 8.159 -0.316 19433 1594 1 4 . 1 1 34 34 GLN N N 34 123.230 123.230 116.357 6.873 19433 1595 1 4 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.547 -0.124 19433 1596 1 4 . 1 1 34 34 GLN CA C 34 52.297 52.297 55.337 -3.040 19433 1597 1 4 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.944 -1.702 19433 1598 1 4 . 1 1 34 34 GLN H H 34 9.114 9.114 8.365 0.749 19433 1599 1 4 . 1 1 35 35 THR N N 35 119.194 119.194 112.638 6.556 19433 1600 1 4 . 1 1 35 35 THR HA H 35 5.241 5.241 5.272 -0.031 19433 1601 1 4 . 1 1 35 35 THR CA C 35 58.075 58.075 60.315 -2.240 19433 1602 1 4 . 1 1 35 35 THR CB C 35 67.936 67.936 71.704 -3.768 19433 1603 1 4 . 1 1 35 35 THR H H 35 8.397 8.397 8.230 0.167 19433 1604 1 4 . 1 1 36 36 VAL N N 36 126.317 126.317 123.800 2.517 19433 1605 1 4 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.058 0.108 19433 1606 1 4 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.885 -3.589 19433 1607 1 4 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.907 -1.122 19433 1608 1 4 . 1 1 36 36 VAL H H 36 8.976 8.976 8.450 0.526 19433 1609 1 4 . 1 1 37 37 ASN N N 37 126.536 126.536 124.308 2.228 19433 1610 1 4 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.523 -0.162 19433 1611 1 4 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.470 -0.376 19433 1612 1 4 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.888 -3.134 19433 1613 1 4 . 1 1 37 37 ASN H H 37 8.974 8.974 8.833 0.141 19433 1614 1 4 . 1 1 38 38 THR N N 38 112.460 112.460 110.779 1.681 19433 1615 1 4 . 1 1 38 38 THR HA H 38 4.850 4.850 4.663 0.187 19433 1616 1 4 . 1 1 38 38 THR CA C 38 58.536 58.536 61.869 -3.333 19433 1617 1 4 . 1 1 38 38 THR CB C 38 69.085 69.085 71.441 -2.356 19433 1618 1 4 . 1 1 38 38 THR H H 38 7.762 7.762 7.572 0.190 19433 1619 1 4 . 1 1 39 39 LEU N N 39 126.316 126.316 124.183 2.133 19433 1620 1 4 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.746 -0.203 19433 1621 1 4 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.676 -1.891 19433 1622 1 4 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.340 -2.999 19433 1623 1 4 . 1 1 39 39 LEU H H 39 8.572 8.572 9.234 -0.662 19433 1624 1 4 . 1 1 40 40 GLY N N 40 116.669 116.669 111.629 5.040 19433 1625 1 4 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.243 -1.978 19433 1626 1 4 . 1 1 40 40 GLY H H 40 9.303 9.303 8.425 0.878 19433 1627 1 4 . 1 1 41 41 SER N N 41 113.384 113.384 117.312 -3.928 19433 1628 1 4 . 1 1 41 41 SER HA H 41 3.612 3.612 4.359 -0.747 19433 1629 1 4 . 1 1 41 41 SER CA C 41 56.211 56.211 59.894 -3.683 19433 1630 1 4 . 1 1 41 41 SER CB C 41 60.482 60.482 62.030 -1.548 19433 1631 1 4 . 1 1 41 41 SER H H 41 7.883 7.883 8.463 -0.580 19433 1632 1 4 . 1 1 42 42 HIS N N 42 120.045 120.045 119.502 0.543 19433 1633 1 4 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.200 0.232 19433 1634 1 4 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.499 -3.495 19433 1635 1 4 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.792 -5.347 19433 1636 1 4 . 1 1 42 42 HIS H H 42 7.882 7.882 8.543 -0.661 19433 1637 1 4 . 1 1 43 43 ASP N N 43 119.308 119.308 119.643 -0.335 19433 1638 1 4 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.745 0.292 19433 1639 1 4 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.103 -5.025 19433 1640 1 4 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.616 -1.907 19433 1641 1 4 . 1 1 43 43 ASP H H 43 7.906 7.906 8.136 -0.230 19433 1642 1 4 . 1 1 44 44 SER N N 44 111.544 111.544 113.958 -2.414 19433 1643 1 4 . 1 1 44 44 SER HA H 44 5.617 5.617 5.446 0.171 19433 1644 1 4 . 1 1 44 44 SER CA C 44 53.597 53.597 56.881 -3.284 19433 1645 1 4 . 1 1 44 44 SER CB C 44 65.207 65.207 66.756 -1.549 19433 1646 1 4 . 1 1 44 44 SER H H 44 8.396 8.396 8.444 -0.048 19433 1647 1 4 . 1 1 45 45 ILE N N 45 119.898 119.898 119.941 -0.043 19433 1648 1 4 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.542 -0.032 19433 1649 1 4 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.364 -3.324 19433 1650 1 4 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.105 -2.858 19433 1651 1 4 . 1 1 45 45 ILE H H 45 8.726 8.726 8.735 -0.009 19433 1652 1 4 . 1 1 46 46 ASP N N 46 123.866 123.866 126.301 -2.435 19433 1653 1 4 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.254 0.267 19433 1654 1 4 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.730 -3.357 19433 1655 1 4 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.249 -2.437 19433 1656 1 4 . 1 1 46 46 ASP H H 46 7.891 7.891 8.164 -0.273 19433 1657 1 4 . 1 1 47 47 PHE N N 47 116.649 116.649 121.117 -4.468 19433 1658 1 4 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.921 -0.148 19433 1659 1 4 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.486 -2.398 19433 1660 1 4 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.209 -3.469 19433 1661 1 4 . 1 1 47 47 PHE H H 47 8.654 8.654 8.441 0.213 19433 1662 1 4 . 1 1 48 48 SER N N 48 114.033 114.033 116.419 -2.386 19433 1663 1 4 . 1 1 48 48 SER HA H 48 4.729 4.729 4.446 0.283 19433 1664 1 4 . 1 1 48 48 SER CA C 48 49.403 49.403 58.128 -8.725 19433 1665 1 4 . 1 1 48 48 SER CB C 48 61.957 61.957 63.964 -2.007 19433 1666 1 4 . 1 1 48 48 SER H H 48 8.667 8.667 8.618 0.049 19433 1667 1 4 . 1 1 49 49 SER N N 49 119.169 119.169 120.397 -1.228 19433 1668 1 4 . 1 1 49 49 SER HA H 49 4.357 4.357 4.438 -0.081 19433 1669 1 4 . 1 1 49 49 SER CA C 49 55.003 55.003 57.589 -2.586 19433 1670 1 4 . 1 1 49 49 SER CB C 49 61.708 61.708 65.181 -3.473 19433 1671 1 4 . 1 1 49 49 SER H H 49 8.644 8.644 8.648 -0.004 19433 1672 1 4 . 1 1 50 50 ASP N N 50 120.389 120.389 126.832 -6.443 19433 1673 1 4 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.569 -0.124 19433 1674 1 4 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.797 -2.365 19433 1675 1 4 . 1 1 50 50 ASP CB C 50 38.122 38.122 39.792 -1.670 19433 1676 1 4 . 1 1 50 50 ASP H H 50 8.743 8.743 9.311 -0.568 19433 1677 1 4 . 1 1 51 51 ALA N N 51 120.149 120.149 122.253 -2.104 19433 1678 1 4 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.679 -0.053 19433 1679 1 4 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.599 -2.897 19433 1680 1 4 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.594 -2.398 19433 1681 1 4 . 1 1 51 51 ALA H H 51 8.178 8.178 7.974 0.204 19433 1682 1 4 . 1 1 52 52 GLY N N 52 106.575 106.575 110.131 -3.556 19433 1683 1 4 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.938 -4.071 19433 1684 1 4 . 1 1 52 52 GLY H H 52 8.465 8.465 8.945 -0.480 19433 1685 1 4 . 1 1 53 53 SER N N 53 111.247 111.247 111.559 -0.312 19433 1686 1 4 . 1 1 53 53 SER HA H 53 4.371 4.371 4.581 -0.210 19433 1687 1 4 . 1 1 53 53 SER CA C 53 55.270 55.270 57.260 -1.990 19433 1688 1 4 . 1 1 53 53 SER CB C 53 61.515 61.515 65.522 -4.006 19433 1689 1 4 . 1 1 53 53 SER H H 53 7.606 7.606 7.549 0.057 19433 1690 1 4 . 1 1 54 54 VAL N N 54 124.481 124.481 121.751 2.730 19433 1691 1 4 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.058 0.248 19433 1692 1 4 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.235 -1.460 19433 1693 1 4 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.135 -4.442 19433 1694 1 4 . 1 1 54 54 VAL H H 54 8.587 8.587 8.311 0.276 19433 1695 1 4 . 1 1 55 55 TYR N N 55 122.616 122.616 117.517 5.099 19433 1696 1 4 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.147 0.034 19433 1697 1 4 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.820 -2.138 19433 1698 1 4 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.297 -2.420 19433 1699 1 4 . 1 1 55 55 TYR H H 55 8.586 8.586 8.092 0.494 19433 1700 1 4 . 1 1 56 56 LYS N N 56 121.197 121.197 118.935 2.262 19433 1701 1 4 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.980 -0.224 19433 1702 1 4 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.324 -1.918 19433 1703 1 4 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.617 -4.144 19433 1704 1 4 . 1 1 56 56 LYS H H 56 7.276 7.276 7.487 -0.211 19433 1705 1 4 . 1 1 57 57 MET N N 57 122.040 122.040 122.736 -0.696 19433 1706 1 4 . 1 1 57 57 MET HA H 57 5.440 5.440 5.327 0.113 19433 1707 1 4 . 1 1 57 57 MET CA C 57 52.893 52.893 55.673 -2.780 19433 1708 1 4 . 1 1 57 57 MET CB C 57 35.646 35.646 36.829 -1.183 19433 1709 1 4 . 1 1 57 57 MET H H 57 8.637 8.637 9.122 -0.485 19433 1710 1 4 . 1 1 58 58 ASP N N 58 125.086 125.086 129.230 -4.144 19433 1711 1 4 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.019 0.721 19433 1712 1 4 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.433 -2.649 19433 1713 1 4 . 1 1 58 58 ASP CB C 58 42.339 42.339 41.310 1.029 19433 1714 1 4 . 1 1 58 58 ASP H H 58 9.367 9.367 8.625 0.742 19433 1715 1 4 . 1 1 59 59 VAL N N 59 120.817 120.817 123.344 -2.527 19433 1716 1 4 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.516 0.542 19433 1717 1 4 . 1 1 59 59 VAL CA C 59 58.103 58.103 62.125 -4.022 19433 1718 1 4 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.073 0.709 19433 1719 1 4 . 1 1 59 59 VAL H H 59 8.890 8.890 8.172 0.718 19433 1720 1 4 . 1 1 60 60 THR N N 60 120.028 120.028 119.682 0.346 19433 1721 1 4 . 1 1 60 60 THR HA H 60 5.125 5.125 4.806 0.319 19433 1722 1 4 . 1 1 60 60 THR CA C 60 56.923 56.923 61.211 -4.288 19433 1723 1 4 . 1 1 60 60 THR CB C 60 68.946 68.946 70.141 -1.195 19433 1724 1 4 . 1 1 60 60 THR H H 60 8.578 8.578 8.951 -0.373 19433 1725 1 4 . 1 1 61 61 GLY N N 61 108.812 108.812 113.347 -4.535 19433 1726 1 4 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.140 -0.946 19433 1727 1 4 . 1 1 61 61 GLY H H 61 7.330 7.330 7.912 -0.582 19433 1728 1 4 . 1 1 62 62 THR N N 62 111.342 111.342 114.146 -2.804 19433 1729 1 4 . 1 1 62 62 THR HA H 62 5.333 5.333 5.362 -0.029 19433 1730 1 4 . 1 1 62 62 THR CA C 62 57.514 57.514 61.271 -3.757 19433 1731 1 4 . 1 1 62 62 THR CB C 62 69.348 69.348 72.453 -3.105 19433 1732 1 4 . 1 1 62 62 THR H H 62 8.013 8.013 7.954 0.059 19433 1733 1 4 . 1 1 63 63 THR N N 63 115.003 115.003 115.955 -0.952 19433 1734 1 4 . 1 1 63 63 THR HA H 63 4.751 4.751 4.182 0.569 19433 1735 1 4 . 1 1 63 63 THR CA C 63 58.700 58.700 60.807 -2.107 19433 1736 1 4 . 1 1 63 63 THR CB C 63 68.654 68.654 69.701 -1.047 19433 1737 1 4 . 1 1 63 63 THR H H 63 9.432 9.432 8.913 0.519 19433 1738 1 4 . 1 1 64 64 GLN N N 64 120.671 120.671 120.834 -0.163 19433 1739 1 4 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.021 -0.179 19433 1740 1 4 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.866 -2.594 19433 1741 1 4 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.303 -2.217 19433 1742 1 4 . 1 1 64 64 GLN H H 64 8.037 8.037 8.468 -0.431 19433 1743 1 4 . 1 1 65 65 SER N N 65 110.096 110.096 112.923 -2.827 19433 1744 1 4 . 1 1 65 65 SER HA H 65 4.351 4.351 4.324 0.027 19433 1745 1 4 . 1 1 65 65 SER CA C 65 55.577 55.577 59.060 -3.483 19433 1746 1 4 . 1 1 65 65 SER CB C 65 60.350 60.350 63.375 -3.025 19433 1747 1 4 . 1 1 65 65 SER H H 65 7.670 7.670 7.662 0.008 19433 1748 1 4 . 1 1 66 66 GLY N N 66 109.466 109.466 109.239 0.227 19433 1749 1 4 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.129 -2.478 19433 1750 1 4 . 1 1 66 66 GLY H H 66 7.810 7.810 7.602 0.208 19433 1751 1 4 . 1 1 67 67 GLU N N 67 121.149 121.149 121.046 0.103 19433 1752 1 4 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.302 0.001 19433 1753 1 4 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.561 -2.642 19433 1754 1 4 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.542 -3.512 19433 1755 1 4 . 1 1 67 67 GLU H H 67 7.518 7.518 7.838 -0.320 19433 1756 1 4 . 1 1 68 68 LYS N N 68 124.553 124.553 125.059 -0.506 19433 1757 1 4 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.546 0.340 19433 1758 1 4 . 1 1 68 68 LYS CA C 68 53.002 53.002 56.792 -3.790 19433 1759 1 4 . 1 1 68 68 LYS CB C 68 31.499 31.499 33.948 -2.449 19433 1760 1 4 . 1 1 68 68 LYS H H 68 8.631 8.631 8.527 0.104 19433 1761 1 4 . 1 1 69 69 PHE N N 69 119.363 119.363 119.495 -0.132 19433 1762 1 4 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.036 0.126 19433 1763 1 4 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.848 -3.238 19433 1764 1 4 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.307 -1.776 19433 1765 1 4 . 1 1 69 69 PHE H H 69 8.180 8.180 8.307 -0.127 19433 1766 1 4 . 1 1 70 70 THR N N 70 113.468 113.468 111.345 2.123 19433 1767 1 4 . 1 1 70 70 THR HA H 70 5.331 5.331 4.766 0.565 19433 1768 1 4 . 1 1 70 70 THR CA C 70 57.694 57.694 60.243 -2.549 19433 1769 1 4 . 1 1 70 70 THR CB C 70 69.969 69.969 72.517 -2.548 19433 1770 1 4 . 1 1 70 70 THR H H 70 8.623 8.623 8.484 0.139 19433 1771 1 4 . 1 1 71 71 GLY N N 71 110.469 110.469 107.876 2.593 19433 1772 1 4 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.327 -1.569 19433 1773 1 4 . 1 1 71 71 GLY H H 71 8.955 8.955 8.078 0.877 19433 1774 1 4 . 1 1 72 72 HIS N N 72 121.565 121.565 119.812 1.753 19433 1775 1 4 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.036 1.250 19433 1776 1 4 . 1 1 72 72 HIS CA C 72 51.920 51.920 57.258 -5.338 19433 1777 1 4 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.453 1.956 19433 1778 1 4 . 1 1 72 72 HIS H H 72 8.162 8.162 7.883 0.279 19433 1779 1 4 . 1 1 73 73 PHE N N 73 122.114 122.114 121.148 0.966 19433 1780 1 4 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.800 0.194 19433 1781 1 4 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.217 -3.215 19433 1782 1 4 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.354 -2.076 19433 1783 1 4 . 1 1 73 73 PHE H H 73 9.117 9.117 8.563 0.554 19433 1784 1 4 . 1 1 74 74 LYS N N 74 122.834 122.834 121.366 1.468 19433 1785 1 4 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.762 0.114 19433 1786 1 4 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.442 -2.641 19433 1787 1 4 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.691 -3.950 19433 1788 1 4 . 1 1 74 74 LYS H H 74 8.889 8.889 8.655 0.234 19433 1789 1 4 . 1 1 75 75 GLY N N 75 109.821 109.821 110.936 -1.115 19433 1790 1 4 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.898 -1.663 19433 1791 1 4 . 1 1 75 75 GLY H H 75 8.418 8.418 8.453 -0.035 19433 1792 1 4 . 1 1 76 76 LEU N N 76 119.557 119.557 119.366 0.191 19433 1793 1 4 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.336 0.004 19433 1794 1 4 . 1 1 76 76 LEU CA C 76 52.374 52.374 55.654 -3.280 19433 1795 1 4 . 1 1 76 76 LEU CB C 76 39.659 39.659 41.939 -2.280 19433 1796 1 4 . 1 1 76 76 LEU H H 76 7.893 7.893 8.095 -0.202 19433 1797 1 4 . 1 1 77 77 VAL N N 77 118.411 118.411 120.985 -2.574 19433 1798 1 4 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.352 0.041 19433 1799 1 4 . 1 1 77 77 VAL CA C 77 58.445 58.445 61.039 -2.594 19433 1800 1 4 . 1 1 77 77 VAL CB C 77 32.212 32.212 33.859 -1.647 19433 1801 1 4 . 1 1 77 77 VAL H H 77 8.583 8.583 8.714 -0.131 19433 1802 1 4 . 1 1 78 78 GLY N N 78 111.284 111.284 112.667 -1.383 19433 1803 1 4 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.176 -2.178 19433 1804 1 4 . 1 1 78 78 GLY H H 78 8.218 8.218 8.111 0.107 19433 1805 1 4 . 1 1 79 79 LYS N N 79 120.895 120.895 121.332 -0.437 19433 1806 1 4 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.289 -0.012 19433 1807 1 4 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.650 -2.199 19433 1808 1 4 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.377 -2.100 19433 1809 1 4 . 1 1 79 79 LYS H H 79 8.347 8.347 8.403 -0.056 19433 1810 1 4 . 1 1 80 80 ASP N N 80 119.681 119.681 115.485 4.196 19433 1811 1 4 . 1 1 80 80 ASP HA H 80 4.807 4.807 4.922 -0.115 19433 1812 1 4 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.797 -1.563 19433 1813 1 4 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.324 -4.300 19433 1814 1 4 . 1 1 80 80 ASP H H 80 7.993 7.993 7.231 0.762 19433 1815 1 4 . 1 1 81 81 THR N N 81 118.659 118.659 114.086 4.573 19433 1816 1 4 . 1 1 81 81 THR HA H 81 4.076 4.076 4.639 -0.563 19433 1817 1 4 . 1 1 81 81 THR CA C 81 60.371 60.371 61.416 -1.045 19433 1818 1 4 . 1 1 81 81 THR CB C 81 67.694 67.694 71.978 -4.284 19433 1819 1 4 . 1 1 81 81 THR H H 81 8.002 8.002 7.948 0.054 19433 1820 1 4 . 1 1 82 82 ARG N N 82 127.944 127.944 122.948 4.996 19433 1821 1 4 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.320 -0.723 19433 1822 1 4 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.248 -2.077 19433 1823 1 4 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.803 -4.195 19433 1824 1 4 . 1 1 82 82 ARG H H 82 8.183 8.183 8.419 -0.236 19433 1825 1 4 . 1 1 83 83 VAL N N 83 121.617 121.617 120.316 1.301 19433 1826 1 4 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.196 -0.132 19433 1827 1 4 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.139 -3.464 19433 1828 1 4 . 1 1 83 83 VAL CB C 83 30.315 30.315 33.730 -3.414 19433 1829 1 4 . 1 1 83 83 VAL H H 83 8.639 8.639 8.628 0.011 19433 1830 1 4 . 1 1 84 84 PHE N N 84 124.702 124.702 127.072 -2.370 19433 1831 1 4 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.886 0.081 19433 1832 1 4 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.680 -0.881 19433 1833 1 4 . 1 1 84 84 PHE CB C 84 38.688 38.688 39.132 -0.444 19433 1834 1 4 . 1 1 84 84 PHE H H 84 9.198 9.198 9.011 0.187 19433 1835 1 4 . 1 1 85 85 ILE N N 85 123.027 123.027 124.946 -1.919 19433 1836 1 4 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.193 0.254 19433 1837 1 4 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.035 -4.122 19433 1838 1 4 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.768 -1.898 19433 1839 1 4 . 1 1 85 85 ILE H H 85 8.650 8.650 8.207 0.443 19433 1840 1 4 . 1 1 86 86 GLU N N 86 124.137 124.137 123.577 0.560 19433 1841 1 4 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.771 -0.196 19433 1842 1 4 . 1 1 86 86 GLU CA C 86 51.531 51.531 53.907 -2.376 19433 1843 1 4 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.928 -1.401 19433 1844 1 4 . 1 1 86 86 GLU H H 86 8.754 8.754 7.899 0.855 19433 1845 1 4 . 1 1 87 87 LEU N N 87 120.087 120.087 120.506 -0.419 19433 1846 1 4 . 1 1 87 87 LEU HA H 87 4.861 4.861 4.908 -0.047 19433 1847 1 4 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.609 -3.479 19433 1848 1 4 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.208 -1.948 19433 1849 1 4 . 1 1 87 87 LEU H H 87 8.394 8.394 8.548 -0.154 19433 1850 1 4 . 1 1 88 88 ASP N N 88 123.072 123.072 119.344 3.728 19433 1851 1 4 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.754 -0.095 19433 1852 1 4 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.273 -4.054 19433 1853 1 4 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.277 -4.170 19433 1854 1 4 . 1 1 88 88 ASP H H 88 8.770 8.770 8.563 0.207 19433 1855 1 4 . 1 1 89 89 GLU N N 89 117.437 117.437 117.892 -0.455 19433 1856 1 4 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.062 0.014 19433 1857 1 4 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.254 -3.266 19433 1858 1 4 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.777 -2.615 19433 1859 1 4 . 1 1 89 89 GLU H H 89 9.033 9.033 8.887 0.146 19433 1860 1 4 . 1 1 90 90 ASN N N 90 118.824 118.824 117.824 1.000 19433 1861 1 4 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.830 -0.044 19433 1862 1 4 . 1 1 90 90 ASN CA C 90 50.170 50.170 53.159 -2.989 19433 1863 1 4 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.087 -2.391 19433 1864 1 4 . 1 1 90 90 ASN H H 90 8.351 8.351 8.314 0.037 19433 1865 1 4 . 1 1 91 91 ALA N N 91 118.167 118.167 120.442 -2.275 19433 1866 1 4 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.887 -0.135 19433 1867 1 4 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.374 -2.119 19433 1868 1 4 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.416 -3.498 19433 1869 1 4 . 1 1 91 91 ALA H H 91 8.284 8.284 8.411 -0.127 19433 1870 1 4 . 1 1 92 92 ASP N N 92 118.574 118.574 118.612 -0.038 19433 1871 1 4 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.868 0.064 19433 1872 1 4 . 1 1 92 92 ASP CA C 92 50.816 50.816 52.876 -2.060 19433 1873 1 4 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.247 -4.077 19433 1874 1 4 . 1 1 92 92 ASP H H 92 8.215 8.215 7.693 0.522 19433 1875 1 4 . 1 1 93 93 VAL N N 93 121.604 121.604 122.691 -1.087 19433 1876 1 4 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.093 -0.024 19433 1877 1 4 . 1 1 93 93 VAL CA C 93 60.454 60.454 64.086 -3.632 19433 1878 1 4 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.823 -1.835 19433 1879 1 4 . 1 1 93 93 VAL H H 93 8.440 8.440 8.629 -0.189 19433 1880 1 4 . 1 1 94 94 GLN N N 94 125.344 125.344 126.631 -1.287 19433 1881 1 4 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.775 -0.014 19433 1882 1 4 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.985 -2.671 19433 1883 1 4 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.260 -1.861 19433 1884 1 4 . 1 1 94 94 GLN H H 94 8.958 8.958 8.428 0.530 19433 1885 1 4 . 1 1 95 95 VAL N N 95 119.370 119.370 118.458 0.912 19433 1886 1 4 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.809 0.252 19433 1887 1 4 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.249 -3.969 19433 1888 1 4 . 1 1 95 95 VAL CB C 95 30.926 30.926 35.158 -4.232 19433 1889 1 4 . 1 1 95 95 VAL H H 95 8.420 8.420 8.323 0.097 19433 1890 1 4 . 1 1 96 96 PHE N N 96 126.219 126.219 126.036 0.183 19433 1891 1 4 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.131 -0.099 19433 1892 1 4 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.377 -2.487 19433 1893 1 4 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.189 -2.686 19433 1894 1 4 . 1 1 96 96 PHE H H 96 9.314 9.314 9.595 -0.281 19433 1895 1 4 . 1 1 97 97 ILE N N 97 123.424 123.424 116.615 6.809 19433 1896 1 4 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.190 0.624 19433 1897 1 4 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.020 -1.954 19433 1898 1 4 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.626 -3.349 19433 1899 1 4 . 1 1 97 97 ILE H H 97 7.613 7.613 7.175 0.438 19433 1900 1 4 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.503 -0.233 19433 1901 1 4 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.842 -2.844 19433 1902 1 4 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.800 -2.143 19433 1903 1 4 . 1 1 99 99 GLN N N 99 121.028 121.028 122.276 -1.248 19433 1904 1 4 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.429 0.026 19433 1905 1 4 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.750 -2.130 19433 1906 1 4 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.455 -3.012 19433 1907 1 4 . 1 1 99 99 GLN H H 99 8.507 8.507 8.193 0.314 19433 1908 1 4 . 1 1 100 100 GLY N N 100 110.029 110.029 108.511 1.518 19433 1909 1 4 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.328 -2.700 19433 1910 1 4 . 1 1 100 100 GLY H H 100 8.356 8.356 8.230 0.126 19433 1911 1 4 . 1 1 101 101 GLU N N 101 120.385 120.385 122.978 -2.593 19433 1912 1 4 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.296 -0.005 19433 1913 1 4 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.530 -1.779 19433 1914 1 4 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.739 -0.909 19433 1915 1 4 . 1 1 101 101 GLU H H 101 8.378 8.378 8.757 -0.379 19433 1916 1 4 . 1 1 102 102 ILE N N 102 120.838 120.838 123.008 -2.170 19433 1917 1 4 . 1 1 102 102 ILE HA H 102 4.166 4.166 3.957 0.209 19433 1918 1 4 . 1 1 102 102 ILE CA C 102 58.368 58.368 61.638 -3.270 19433 1919 1 4 . 1 1 102 102 ILE CB C 102 36.713 36.713 37.721 -1.008 19433 1920 1 4 . 1 1 102 102 ILE H H 102 8.168 8.168 7.658 0.510 19433 1921 1 5 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.482 -0.251 19433 1922 1 5 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.811 -1.278 19433 1923 1 5 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.460 -2.816 19433 1924 1 5 . 1 1 3 3 GLN N N 3 118.180 118.180 116.919 1.261 19433 1925 1 5 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.087 0.181 19433 1926 1 5 . 1 1 3 3 GLN CB C 3 26.439 26.439 28.015 -1.576 19433 1927 1 5 . 1 1 3 3 GLN H H 3 8.579 8.579 8.669 -0.090 19433 1928 1 5 . 1 1 4 4 ASP N N 4 120.328 120.328 119.461 0.867 19433 1929 1 5 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.812 -0.315 19433 1930 1 5 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.326 -2.561 19433 1931 1 5 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.803 -2.281 19433 1932 1 5 . 1 1 4 4 ASP H H 4 8.061 8.061 8.075 -0.014 19433 1933 1 5 . 1 1 5 5 GLY N N 5 109.114 109.114 109.975 -0.861 19433 1934 1 5 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.355 -2.325 19433 1935 1 5 . 1 1 5 5 GLY H H 5 8.322 8.322 8.191 0.131 19433 1936 1 5 . 1 1 6 6 LYS N N 6 120.397 120.397 120.483 -0.086 19433 1937 1 5 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.461 -0.164 19433 1938 1 5 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.029 -2.710 19433 1939 1 5 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.929 -2.488 19433 1940 1 5 . 1 1 6 6 LYS H H 6 8.030 8.030 8.308 -0.278 19433 1941 1 5 . 1 1 7 7 GLU N N 7 122.113 122.113 122.868 -0.755 19433 1942 1 5 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.417 -0.122 19433 1943 1 5 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.636 -2.349 19433 1944 1 5 . 1 1 7 7 GLU CB C 7 27.757 27.757 28.549 -0.792 19433 1945 1 5 . 1 1 7 7 GLU H H 7 8.464 8.464 8.552 -0.088 19433 1946 1 5 . 1 1 8 8 THR N N 8 114.459 114.459 114.202 0.257 19433 1947 1 5 . 1 1 8 8 THR HA H 8 4.543 4.543 4.807 -0.264 19433 1948 1 5 . 1 1 8 8 THR CA C 8 57.966 57.966 60.926 -2.960 19433 1949 1 5 . 1 1 8 8 THR CB C 8 68.123 68.123 69.842 -1.719 19433 1950 1 5 . 1 1 8 8 THR H H 8 7.984 7.984 7.881 0.103 19433 1951 1 5 . 1 1 9 9 THR N N 9 116.229 116.229 113.560 2.669 19433 1952 1 5 . 1 1 9 9 THR HA H 9 4.584 4.584 4.829 -0.245 19433 1953 1 5 . 1 1 9 9 THR CA C 9 58.575 58.575 60.779 -2.204 19433 1954 1 5 . 1 1 9 9 THR CB C 9 67.866 67.866 70.447 -2.581 19433 1955 1 5 . 1 1 9 9 THR H H 9 8.140 8.140 8.303 -0.163 19433 1956 1 5 . 1 1 10 10 THR N N 10 118.509 118.509 115.858 2.651 19433 1957 1 5 . 1 1 10 10 THR HA H 10 4.563 4.563 4.716 -0.153 19433 1958 1 5 . 1 1 10 10 THR CA C 10 59.364 59.364 62.164 -2.800 19433 1959 1 5 . 1 1 10 10 THR CB C 10 68.411 68.411 71.746 -3.335 19433 1960 1 5 . 1 1 10 10 THR H H 10 8.544 8.544 8.062 0.482 19433 1961 1 5 . 1 1 11 11 ILE N N 11 126.772 126.772 124.236 2.536 19433 1962 1 5 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.794 -0.769 19433 1963 1 5 . 1 1 11 11 ILE CA C 11 57.323 57.323 58.977 -1.654 19433 1964 1 5 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.562 -5.222 19433 1965 1 5 . 1 1 11 11 ILE H H 11 8.595 8.595 8.460 0.135 19433 1966 1 5 . 1 1 12 12 ARG N N 12 125.922 125.922 125.154 0.768 19433 1967 1 5 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.841 0.152 19433 1968 1 5 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.431 -3.541 19433 1969 1 5 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.152 -3.188 19433 1970 1 5 . 1 1 12 12 ARG H H 12 8.031 8.031 8.026 0.005 19433 1971 1 5 . 1 1 13 13 LEU N N 13 126.771 126.771 127.656 -0.885 19433 1972 1 5 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.726 0.217 19433 1973 1 5 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.906 -3.280 19433 1974 1 5 . 1 1 13 13 LEU CB C 13 42.033 42.033 42.971 -0.938 19433 1975 1 5 . 1 1 13 13 LEU H H 13 8.828 8.828 8.896 -0.068 19433 1976 1 5 . 1 1 14 14 ILE N N 14 123.438 123.438 125.198 -1.760 19433 1977 1 5 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.663 -0.486 19433 1978 1 5 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.116 -1.602 19433 1979 1 5 . 1 1 14 14 ILE CB C 14 38.667 38.667 39.573 -0.906 19433 1980 1 5 . 1 1 14 14 ILE H H 14 8.847 8.847 9.193 -0.346 19433 1981 1 5 . 1 1 15 15 ASN N N 15 123.130 123.130 124.365 -1.235 19433 1982 1 5 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.958 -0.078 19433 1983 1 5 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.873 -3.205 19433 1984 1 5 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.546 -3.725 19433 1985 1 5 . 1 1 15 15 ASN H H 15 8.446 8.446 8.909 -0.463 19433 1986 1 5 . 1 1 16 16 GLN N N 16 125.061 125.061 121.697 3.364 19433 1987 1 5 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.523 1.008 19433 1988 1 5 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.745 -2.585 19433 1989 1 5 . 1 1 16 16 GLN CB C 16 26.904 26.904 27.126 -0.222 19433 1990 1 5 . 1 1 16 16 GLN H H 16 9.063 9.063 7.801 1.262 19433 1991 1 5 . 1 1 17 17 THR N N 17 110.936 110.936 111.373 -0.437 19433 1992 1 5 . 1 1 17 17 THR HA H 17 4.415 4.415 4.310 0.105 19433 1993 1 5 . 1 1 17 17 THR CA C 17 58.240 58.240 59.542 -1.302 19433 1994 1 5 . 1 1 17 17 THR CB C 17 67.913 67.913 70.304 -2.391 19433 1995 1 5 . 1 1 17 17 THR H H 17 7.765 7.765 7.766 -0.001 19433 1996 1 5 . 1 1 18 18 TYR N N 18 112.380 112.380 118.448 -6.068 19433 1997 1 5 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.562 -0.207 19433 1998 1 5 . 1 1 18 18 TYR CA C 18 54.029 54.029 57.209 -3.180 19433 1999 1 5 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.787 -3.220 19433 2000 1 5 . 1 1 18 18 TYR H H 18 6.950 6.950 8.409 -1.459 19433 2001 1 5 . 1 1 19 19 PHE N N 19 119.710 119.710 113.548 6.162 19433 2002 1 5 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.599 0.397 19433 2003 1 5 . 1 1 19 19 PHE CA C 19 52.010 52.010 53.539 -1.529 19433 2004 1 5 . 1 1 19 19 PHE CB C 19 38.471 38.471 41.116 -2.645 19433 2005 1 5 . 1 1 19 19 PHE H H 19 8.014 8.014 6.600 1.414 19433 2006 1 5 . 1 1 20 20 ASN N N 20 117.921 117.921 117.617 0.304 19433 2007 1 5 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.586 -0.897 19433 2008 1 5 . 1 1 20 20 ASN CA C 20 52.037 52.037 51.900 0.137 19433 2009 1 5 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.382 -5.076 19433 2010 1 5 . 1 1 20 20 ASN H H 20 8.724 8.724 8.418 0.306 19433 2011 1 5 . 1 1 21 21 VAL N N 21 115.311 115.311 115.007 0.304 19433 2012 1 5 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.907 -0.023 19433 2013 1 5 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.103 -2.602 19433 2014 1 5 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.721 -3.876 19433 2015 1 5 . 1 1 21 21 VAL H H 21 8.186 8.186 8.663 -0.477 19433 2016 1 5 . 1 1 22 22 LYS N N 22 119.772 119.772 120.796 -1.024 19433 2017 1 5 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.802 0.200 19433 2018 1 5 . 1 1 22 22 LYS CA C 22 51.533 51.533 56.069 -4.535 19433 2019 1 5 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.197 1.068 19433 2020 1 5 . 1 1 22 22 LYS H H 22 9.331 9.331 8.178 1.153 19433 2021 1 5 . 1 1 23 23 ASN N N 23 116.781 116.781 114.766 2.015 19433 2022 1 5 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.749 -0.546 19433 2023 1 5 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.619 -1.686 19433 2024 1 5 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.024 -4.504 19433 2025 1 5 . 1 1 23 23 ASN H H 23 8.573 8.573 8.044 0.529 19433 2026 1 5 . 1 1 24 24 ILE N N 24 118.303 118.303 122.105 -3.802 19433 2027 1 5 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.221 0.523 19433 2028 1 5 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.953 -4.409 19433 2029 1 5 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.721 -1.486 19433 2030 1 5 . 1 1 24 24 ILE H H 24 8.329 8.329 8.125 0.204 19433 2031 1 5 . 1 1 25 25 LYS N N 25 129.189 129.189 127.965 1.224 19433 2032 1 5 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.771 0.115 19433 2033 1 5 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.778 -2.017 19433 2034 1 5 . 1 1 25 25 LYS CB C 25 31.647 31.647 34.053 -2.406 19433 2035 1 5 . 1 1 25 25 LYS H H 25 9.102 9.102 8.933 0.169 19433 2036 1 5 . 1 1 26 26 VAL N N 26 129.283 129.283 126.425 2.858 19433 2037 1 5 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.474 0.492 19433 2038 1 5 . 1 1 26 26 VAL CA C 26 58.099 58.099 62.037 -3.938 19433 2039 1 5 . 1 1 26 26 VAL CB C 26 31.370 31.370 34.557 -3.187 19433 2040 1 5 . 1 1 26 26 VAL H H 26 9.057 9.057 8.892 0.165 19433 2041 1 5 . 1 1 27 27 THR N N 27 120.185 120.185 120.976 -0.791 19433 2042 1 5 . 1 1 27 27 THR HA H 27 5.542 5.542 5.202 0.340 19433 2043 1 5 . 1 1 27 27 THR CA C 27 56.977 56.977 61.067 -4.090 19433 2044 1 5 . 1 1 27 27 THR CB C 27 68.220 68.220 71.197 -2.977 19433 2045 1 5 . 1 1 27 27 THR H H 27 9.177 9.177 9.183 -0.006 19433 2046 1 5 . 1 1 28 28 TRP N N 28 123.046 123.046 122.150 0.896 19433 2047 1 5 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.345 0.045 19433 2048 1 5 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.843 -2.227 19433 2049 1 5 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.783 -0.821 19433 2050 1 5 . 1 1 28 28 TRP H H 28 8.787 8.787 8.124 0.663 19433 2051 1 5 . 1 1 29 29 ASN N N 29 116.792 116.792 117.121 -0.329 19433 2052 1 5 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.616 -1.200 19433 2053 1 5 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.817 -1.552 19433 2054 1 5 . 1 1 29 29 ASN CB C 29 34.179 34.179 40.664 -6.486 19433 2055 1 5 . 1 1 29 29 ASN H H 29 8.193 8.193 7.481 0.712 19433 2056 1 5 . 1 1 30 30 ASP N N 30 118.710 118.710 119.483 -0.773 19433 2057 1 5 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.623 -0.106 19433 2058 1 5 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.904 -3.442 19433 2059 1 5 . 1 1 30 30 ASP CB C 30 36.498 36.498 41.257 -4.759 19433 2060 1 5 . 1 1 30 30 ASP H H 30 8.937 8.937 8.576 0.361 19433 2061 1 5 . 1 1 31 31 GLY N N 31 106.542 106.542 105.644 0.898 19433 2062 1 5 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.924 -1.458 19433 2063 1 5 . 1 1 31 31 GLY H H 31 7.594 7.594 7.700 -0.106 19433 2064 1 5 . 1 1 32 32 LYS N N 32 121.904 121.904 121.888 0.016 19433 2065 1 5 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.407 -0.518 19433 2066 1 5 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.501 -1.676 19433 2067 1 5 . 1 1 32 32 LYS CB C 32 28.130 28.130 32.931 -4.801 19433 2068 1 5 . 1 1 32 32 LYS H H 32 7.510 7.510 7.608 -0.098 19433 2069 1 5 . 1 1 33 33 GLU N N 33 119.124 119.124 121.990 -2.866 19433 2070 1 5 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.693 0.587 19433 2071 1 5 . 1 1 33 33 GLU CA C 33 52.331 52.331 53.834 -1.504 19433 2072 1 5 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.099 -1.390 19433 2073 1 5 . 1 1 33 33 GLU H H 33 7.843 7.843 8.264 -0.421 19433 2074 1 5 . 1 1 34 34 GLN N N 34 123.230 123.230 116.766 6.464 19433 2075 1 5 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.755 -0.332 19433 2076 1 5 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.316 -2.019 19433 2077 1 5 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.526 -1.284 19433 2078 1 5 . 1 1 34 34 GLN H H 34 9.114 9.114 8.468 0.646 19433 2079 1 5 . 1 1 35 35 THR N N 35 119.194 119.194 111.373 7.821 19433 2080 1 5 . 1 1 35 35 THR HA H 35 5.241 5.241 5.276 -0.035 19433 2081 1 5 . 1 1 35 35 THR CA C 35 58.075 58.075 60.124 -2.049 19433 2082 1 5 . 1 1 35 35 THR CB C 35 67.936 67.936 71.765 -3.829 19433 2083 1 5 . 1 1 35 35 THR H H 35 8.397 8.397 8.130 0.267 19433 2084 1 5 . 1 1 36 36 VAL N N 36 126.317 126.317 122.627 3.690 19433 2085 1 5 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.168 -0.002 19433 2086 1 5 . 1 1 36 36 VAL CA C 36 58.296 58.296 60.959 -2.663 19433 2087 1 5 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.747 -0.962 19433 2088 1 5 . 1 1 36 36 VAL H H 36 8.976 8.976 8.419 0.557 19433 2089 1 5 . 1 1 37 37 ASN N N 37 126.536 126.536 121.973 4.563 19433 2090 1 5 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.544 -0.183 19433 2091 1 5 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.181 -0.087 19433 2092 1 5 . 1 1 37 37 ASN CB C 37 35.754 35.754 39.190 -3.436 19433 2093 1 5 . 1 1 37 37 ASN H H 37 8.974 8.974 8.809 0.165 19433 2094 1 5 . 1 1 38 38 THR N N 38 112.460 112.460 112.899 -0.439 19433 2095 1 5 . 1 1 38 38 THR HA H 38 4.850 4.850 4.931 -0.081 19433 2096 1 5 . 1 1 38 38 THR CA C 38 58.536 58.536 62.062 -3.526 19433 2097 1 5 . 1 1 38 38 THR CB C 38 69.085 69.085 72.023 -2.938 19433 2098 1 5 . 1 1 38 38 THR H H 38 7.762 7.762 7.797 -0.035 19433 2099 1 5 . 1 1 39 39 LEU N N 39 126.316 126.316 125.143 1.173 19433 2100 1 5 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.664 -0.121 19433 2101 1 5 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.072 -2.287 19433 2102 1 5 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.747 -3.406 19433 2103 1 5 . 1 1 39 39 LEU H H 39 8.572 8.572 9.102 -0.530 19433 2104 1 5 . 1 1 40 40 GLY N N 40 116.669 116.669 111.172 5.497 19433 2105 1 5 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.360 -2.095 19433 2106 1 5 . 1 1 40 40 GLY H H 40 9.303 9.303 8.747 0.556 19433 2107 1 5 . 1 1 41 41 SER N N 41 113.384 113.384 116.728 -3.344 19433 2108 1 5 . 1 1 41 41 SER HA H 41 3.612 3.612 4.225 -0.613 19433 2109 1 5 . 1 1 41 41 SER CA C 41 56.211 56.211 59.718 -3.507 19433 2110 1 5 . 1 1 41 41 SER CB C 41 60.482 60.482 62.913 -2.431 19433 2111 1 5 . 1 1 41 41 SER H H 41 7.883 7.883 8.530 -0.647 19433 2112 1 5 . 1 1 42 42 HIS N N 42 120.045 120.045 120.902 -0.857 19433 2113 1 5 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.156 0.276 19433 2114 1 5 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.294 -3.290 19433 2115 1 5 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.545 -5.100 19433 2116 1 5 . 1 1 42 42 HIS H H 42 7.882 7.882 9.069 -1.187 19433 2117 1 5 . 1 1 43 43 ASP N N 43 119.308 119.308 119.034 0.274 19433 2118 1 5 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.578 0.459 19433 2119 1 5 . 1 1 43 43 ASP CA C 43 50.078 50.078 56.544 -6.466 19433 2120 1 5 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.080 -1.371 19433 2121 1 5 . 1 1 43 43 ASP H H 43 7.906 7.906 7.584 0.322 19433 2122 1 5 . 1 1 44 44 SER N N 44 111.544 111.544 112.425 -0.881 19433 2123 1 5 . 1 1 44 44 SER HA H 44 5.617 5.617 5.109 0.508 19433 2124 1 5 . 1 1 44 44 SER CA C 44 53.597 53.597 57.528 -3.931 19433 2125 1 5 . 1 1 44 44 SER CB C 44 65.207 65.207 65.924 -0.717 19433 2126 1 5 . 1 1 44 44 SER H H 44 8.396 8.396 8.395 0.001 19433 2127 1 5 . 1 1 45 45 ILE N N 45 119.898 119.898 119.967 -0.069 19433 2128 1 5 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.306 0.204 19433 2129 1 5 . 1 1 45 45 ILE CA C 45 57.040 57.040 61.588 -4.548 19433 2130 1 5 . 1 1 45 45 ILE CB C 45 39.246 39.246 41.752 -2.506 19433 2131 1 5 . 1 1 45 45 ILE H H 45 8.726 8.726 8.256 0.470 19433 2132 1 5 . 1 1 46 46 ASP N N 46 123.866 123.866 127.035 -3.169 19433 2133 1 5 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.434 0.087 19433 2134 1 5 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.545 -3.172 19433 2135 1 5 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.561 -2.749 19433 2136 1 5 . 1 1 46 46 ASP H H 46 7.891 7.891 8.270 -0.379 19433 2137 1 5 . 1 1 47 47 PHE N N 47 116.649 116.649 121.827 -5.178 19433 2138 1 5 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.949 -0.176 19433 2139 1 5 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.898 -2.809 19433 2140 1 5 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.599 -3.859 19433 2141 1 5 . 1 1 47 47 PHE H H 47 8.654 8.654 8.471 0.183 19433 2142 1 5 . 1 1 48 48 SER N N 48 114.033 114.033 118.412 -4.379 19433 2143 1 5 . 1 1 48 48 SER HA H 48 4.729 4.729 4.295 0.434 19433 2144 1 5 . 1 1 48 48 SER CA C 48 49.403 49.403 59.284 -9.881 19433 2145 1 5 . 1 1 48 48 SER CB C 48 61.957 61.957 63.846 -1.889 19433 2146 1 5 . 1 1 48 48 SER H H 48 8.667 8.667 8.791 -0.124 19433 2147 1 5 . 1 1 49 49 SER N N 49 119.169 119.169 122.283 -3.114 19433 2148 1 5 . 1 1 49 49 SER HA H 49 4.357 4.357 4.804 -0.447 19433 2149 1 5 . 1 1 49 49 SER CA C 49 55.003 55.003 57.375 -2.372 19433 2150 1 5 . 1 1 49 49 SER CB C 49 61.708 61.708 64.821 -3.113 19433 2151 1 5 . 1 1 49 49 SER H H 49 8.644 8.644 8.738 -0.094 19433 2152 1 5 . 1 1 50 50 ASP N N 50 120.389 120.389 126.483 -6.094 19433 2153 1 5 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.457 -0.012 19433 2154 1 5 . 1 1 50 50 ASP CA C 50 52.432 52.432 55.778 -3.346 19433 2155 1 5 . 1 1 50 50 ASP CB C 50 38.122 38.122 41.155 -3.033 19433 2156 1 5 . 1 1 50 50 ASP H H 50 8.743 8.743 9.176 -0.433 19433 2157 1 5 . 1 1 51 51 ALA N N 51 120.149 120.149 120.964 -0.815 19433 2158 1 5 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.466 0.160 19433 2159 1 5 . 1 1 51 51 ALA CA C 51 48.702 48.702 52.326 -3.624 19433 2160 1 5 . 1 1 51 51 ALA CB C 51 19.196 19.196 20.189 -0.993 19433 2161 1 5 . 1 1 51 51 ALA H H 51 8.178 8.178 7.961 0.217 19433 2162 1 5 . 1 1 52 52 GLY N N 52 106.575 106.575 106.807 -0.232 19433 2163 1 5 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.747 -2.880 19433 2164 1 5 . 1 1 52 52 GLY H H 52 8.465 8.465 8.881 -0.416 19433 2165 1 5 . 1 1 53 53 SER N N 53 111.247 111.247 113.120 -1.873 19433 2166 1 5 . 1 1 53 53 SER HA H 53 4.371 4.371 4.656 -0.285 19433 2167 1 5 . 1 1 53 53 SER CA C 53 55.270 55.270 57.006 -1.736 19433 2168 1 5 . 1 1 53 53 SER CB C 53 61.515 61.515 66.428 -4.913 19433 2169 1 5 . 1 1 53 53 SER H H 53 7.606 7.606 7.590 0.016 19433 2170 1 5 . 1 1 54 54 VAL N N 54 124.481 124.481 121.146 3.335 19433 2171 1 5 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.172 0.134 19433 2172 1 5 . 1 1 54 54 VAL CA C 54 59.775 59.775 60.581 -0.806 19433 2173 1 5 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.598 -4.905 19433 2174 1 5 . 1 1 54 54 VAL H H 54 8.587 8.587 8.583 0.004 19433 2175 1 5 . 1 1 55 55 TYR N N 55 122.616 122.616 121.194 1.422 19433 2176 1 5 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.188 -0.007 19433 2177 1 5 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.462 -1.780 19433 2178 1 5 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.893 -3.016 19433 2179 1 5 . 1 1 55 55 TYR H H 55 8.586 8.586 7.784 0.802 19433 2180 1 5 . 1 1 56 56 LYS N N 56 121.197 121.197 118.438 2.759 19433 2181 1 5 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.003 -0.247 19433 2182 1 5 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.253 -1.847 19433 2183 1 5 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.298 -3.825 19433 2184 1 5 . 1 1 56 56 LYS H H 56 7.276 7.276 7.368 -0.092 19433 2185 1 5 . 1 1 57 57 MET N N 57 122.040 122.040 122.238 -0.198 19433 2186 1 5 . 1 1 57 57 MET HA H 57 5.440 5.440 5.423 0.017 19433 2187 1 5 . 1 1 57 57 MET CA C 57 52.893 52.893 54.783 -1.890 19433 2188 1 5 . 1 1 57 57 MET CB C 57 35.646 35.646 37.895 -2.248 19433 2189 1 5 . 1 1 57 57 MET H H 57 8.637 8.637 8.936 -0.299 19433 2190 1 5 . 1 1 58 58 ASP N N 58 125.086 125.086 124.068 1.018 19433 2191 1 5 . 1 1 58 58 ASP HA H 58 5.740 5.740 4.876 0.864 19433 2192 1 5 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.129 -2.345 19433 2193 1 5 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.738 -1.399 19433 2194 1 5 . 1 1 58 58 ASP H H 58 9.367 9.367 8.801 0.566 19433 2195 1 5 . 1 1 59 59 VAL N N 59 120.817 120.817 119.904 0.913 19433 2196 1 5 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.948 0.110 19433 2197 1 5 . 1 1 59 59 VAL CA C 59 58.103 58.103 59.066 -0.963 19433 2198 1 5 . 1 1 59 59 VAL CB C 59 33.782 33.782 35.110 -1.328 19433 2199 1 5 . 1 1 59 59 VAL H H 59 8.890 8.890 8.225 0.665 19433 2200 1 5 . 1 1 60 60 THR N N 60 120.028 120.028 116.621 3.407 19433 2201 1 5 . 1 1 60 60 THR HA H 60 5.125 5.125 5.160 -0.035 19433 2202 1 5 . 1 1 60 60 THR CA C 60 56.923 56.923 60.502 -3.579 19433 2203 1 5 . 1 1 60 60 THR CB C 60 68.946 68.946 70.456 -1.510 19433 2204 1 5 . 1 1 60 60 THR H H 60 8.578 8.578 8.634 -0.056 19433 2205 1 5 . 1 1 61 61 GLY N N 61 108.812 108.812 111.752 -2.940 19433 2206 1 5 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.134 -0.940 19433 2207 1 5 . 1 1 61 61 GLY H H 61 7.330 7.330 7.982 -0.652 19433 2208 1 5 . 1 1 62 62 THR N N 62 111.342 111.342 114.727 -3.385 19433 2209 1 5 . 1 1 62 62 THR HA H 62 5.333 5.333 5.192 0.141 19433 2210 1 5 . 1 1 62 62 THR CA C 62 57.514 57.514 60.563 -3.049 19433 2211 1 5 . 1 1 62 62 THR CB C 62 69.348 69.348 72.035 -2.688 19433 2212 1 5 . 1 1 62 62 THR H H 62 8.013 8.013 7.843 0.170 19433 2213 1 5 . 1 1 63 63 THR N N 63 115.003 115.003 115.558 -0.555 19433 2214 1 5 . 1 1 63 63 THR HA H 63 4.751 4.751 4.524 0.227 19433 2215 1 5 . 1 1 63 63 THR CA C 63 58.700 58.700 60.178 -1.478 19433 2216 1 5 . 1 1 63 63 THR CB C 63 68.654 68.654 69.876 -1.222 19433 2217 1 5 . 1 1 63 63 THR H H 63 9.432 9.432 8.772 0.660 19433 2218 1 5 . 1 1 64 64 GLN N N 64 120.671 120.671 121.391 -0.720 19433 2219 1 5 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.037 -0.195 19433 2220 1 5 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.749 -2.477 19433 2221 1 5 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.475 -2.389 19433 2222 1 5 . 1 1 64 64 GLN H H 64 8.037 8.037 8.556 -0.519 19433 2223 1 5 . 1 1 65 65 SER N N 65 110.096 110.096 112.502 -2.406 19433 2224 1 5 . 1 1 65 65 SER HA H 65 4.351 4.351 4.384 -0.033 19433 2225 1 5 . 1 1 65 65 SER CA C 65 55.577 55.577 57.971 -2.394 19433 2226 1 5 . 1 1 65 65 SER CB C 65 60.350 60.350 63.495 -3.145 19433 2227 1 5 . 1 1 65 65 SER H H 65 7.670 7.670 7.640 0.030 19433 2228 1 5 . 1 1 66 66 GLY N N 66 109.466 109.466 109.179 0.287 19433 2229 1 5 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.023 -2.373 19433 2230 1 5 . 1 1 66 66 GLY H H 66 7.810 7.810 7.731 0.079 19433 2231 1 5 . 1 1 67 67 GLU N N 67 121.149 121.149 120.709 0.440 19433 2232 1 5 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.407 -0.104 19433 2233 1 5 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.935 -2.016 19433 2234 1 5 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.103 -4.073 19433 2235 1 5 . 1 1 67 67 GLU H H 67 7.518 7.518 7.791 -0.273 19433 2236 1 5 . 1 1 68 68 LYS N N 68 124.553 124.553 123.289 1.264 19433 2237 1 5 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.954 -0.068 19433 2238 1 5 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.409 -2.407 19433 2239 1 5 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.880 -3.381 19433 2240 1 5 . 1 1 68 68 LYS H H 68 8.631 8.631 8.367 0.264 19433 2241 1 5 . 1 1 69 69 PHE N N 69 119.363 119.363 120.685 -1.322 19433 2242 1 5 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.055 0.107 19433 2243 1 5 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.499 -2.889 19433 2244 1 5 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.298 -1.767 19433 2245 1 5 . 1 1 69 69 PHE H H 69 8.180 8.180 8.339 -0.159 19433 2246 1 5 . 1 1 70 70 THR N N 70 113.468 113.468 113.214 0.254 19433 2247 1 5 . 1 1 70 70 THR HA H 70 5.331 5.331 5.047 0.284 19433 2248 1 5 . 1 1 70 70 THR CA C 70 57.694 57.694 59.957 -2.263 19433 2249 1 5 . 1 1 70 70 THR CB C 70 69.969 69.969 72.746 -2.777 19433 2250 1 5 . 1 1 70 70 THR H H 70 8.623 8.623 8.390 0.233 19433 2251 1 5 . 1 1 71 71 GLY N N 71 110.469 110.469 108.740 1.729 19433 2252 1 5 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.376 -1.617 19433 2253 1 5 . 1 1 71 71 GLY H H 71 8.955 8.955 8.028 0.927 19433 2254 1 5 . 1 1 72 72 HIS N N 72 121.565 121.565 119.060 2.505 19433 2255 1 5 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.084 1.202 19433 2256 1 5 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.979 -5.059 19433 2257 1 5 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.450 1.959 19433 2258 1 5 . 1 1 72 72 HIS H H 72 8.162 8.162 7.641 0.521 19433 2259 1 5 . 1 1 73 73 PHE N N 73 122.114 122.114 122.696 -0.582 19433 2260 1 5 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.834 0.160 19433 2261 1 5 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.777 -2.775 19433 2262 1 5 . 1 1 73 73 PHE CB C 73 40.278 40.278 41.620 -1.342 19433 2263 1 5 . 1 1 73 73 PHE H H 73 9.117 9.117 8.840 0.277 19433 2264 1 5 . 1 1 74 74 LYS N N 74 122.834 122.834 121.332 1.502 19433 2265 1 5 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.848 0.028 19433 2266 1 5 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.377 -2.576 19433 2267 1 5 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.625 -3.884 19433 2268 1 5 . 1 1 74 74 LYS H H 74 8.889 8.889 8.655 0.234 19433 2269 1 5 . 1 1 75 75 GLY N N 75 109.821 109.821 109.947 -0.126 19433 2270 1 5 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.548 -1.313 19433 2271 1 5 . 1 1 75 75 GLY H H 75 8.418 8.418 8.453 -0.035 19433 2272 1 5 . 1 1 76 76 LEU N N 76 119.557 119.557 121.028 -1.471 19433 2273 1 5 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.653 -0.313 19433 2274 1 5 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.673 -2.299 19433 2275 1 5 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.996 -3.337 19433 2276 1 5 . 1 1 76 76 LEU H H 76 7.893 7.893 7.813 0.080 19433 2277 1 5 . 1 1 77 77 VAL N N 77 118.411 118.411 118.644 -0.233 19433 2278 1 5 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.424 -0.031 19433 2279 1 5 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.738 -2.293 19433 2280 1 5 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.850 -2.638 19433 2281 1 5 . 1 1 77 77 VAL H H 77 8.583 8.583 8.188 0.396 19433 2282 1 5 . 1 1 78 78 GLY N N 78 111.284 111.284 109.736 1.548 19433 2283 1 5 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.430 -2.432 19433 2284 1 5 . 1 1 78 78 GLY H H 78 8.218 8.218 8.296 -0.078 19433 2285 1 5 . 1 1 79 79 LYS N N 79 120.895 120.895 121.215 -0.320 19433 2286 1 5 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.412 -0.135 19433 2287 1 5 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.839 -1.388 19433 2288 1 5 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.618 -2.341 19433 2289 1 5 . 1 1 79 79 LYS H H 79 8.347 8.347 8.438 -0.091 19433 2290 1 5 . 1 1 80 80 ASP N N 80 119.681 119.681 116.630 3.051 19433 2291 1 5 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.339 -0.532 19433 2292 1 5 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.472 -1.238 19433 2293 1 5 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.122 -5.098 19433 2294 1 5 . 1 1 80 80 ASP H H 80 7.993 7.993 7.576 0.417 19433 2295 1 5 . 1 1 81 81 THR N N 81 118.659 118.659 113.362 5.297 19433 2296 1 5 . 1 1 81 81 THR HA H 81 4.076 4.076 4.478 -0.402 19433 2297 1 5 . 1 1 81 81 THR CA C 81 60.371 60.371 61.628 -1.257 19433 2298 1 5 . 1 1 81 81 THR CB C 81 67.694 67.694 71.725 -4.031 19433 2299 1 5 . 1 1 81 81 THR H H 81 8.002 8.002 7.935 0.067 19433 2300 1 5 . 1 1 82 82 ARG N N 82 127.944 127.944 122.228 5.716 19433 2301 1 5 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.141 -0.544 19433 2302 1 5 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.527 -2.356 19433 2303 1 5 . 1 1 82 82 ARG CB C 82 29.608 29.608 34.284 -4.676 19433 2304 1 5 . 1 1 82 82 ARG H H 82 8.183 8.183 8.268 -0.085 19433 2305 1 5 . 1 1 83 83 VAL N N 83 121.617 121.617 119.149 2.468 19433 2306 1 5 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.357 -0.293 19433 2307 1 5 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.042 -3.367 19433 2308 1 5 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.942 -4.627 19433 2309 1 5 . 1 1 83 83 VAL H H 83 8.639 8.639 8.709 -0.070 19433 2310 1 5 . 1 1 84 84 PHE N N 84 124.702 124.702 126.806 -2.104 19433 2311 1 5 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.890 0.077 19433 2312 1 5 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.313 -0.514 19433 2313 1 5 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.483 0.204 19433 2314 1 5 . 1 1 84 84 PHE H H 84 9.198 9.198 8.993 0.205 19433 2315 1 5 . 1 1 85 85 ILE N N 85 123.027 123.027 124.650 -1.623 19433 2316 1 5 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.117 0.330 19433 2317 1 5 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.629 -4.716 19433 2318 1 5 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.844 -1.974 19433 2319 1 5 . 1 1 85 85 ILE H H 85 8.650 8.650 8.265 0.385 19433 2320 1 5 . 1 1 86 86 GLU N N 86 124.137 124.137 123.308 0.829 19433 2321 1 5 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.647 -0.072 19433 2322 1 5 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.587 -3.056 19433 2323 1 5 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.813 -2.286 19433 2324 1 5 . 1 1 86 86 GLU H H 86 8.754 8.754 8.336 0.418 19433 2325 1 5 . 1 1 87 87 LEU N N 87 120.087 120.087 119.599 0.488 19433 2326 1 5 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.247 -0.386 19433 2327 1 5 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.864 -2.733 19433 2328 1 5 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.040 -2.780 19433 2329 1 5 . 1 1 87 87 LEU H H 87 8.394 8.394 8.484 -0.090 19433 2330 1 5 . 1 1 88 88 ASP N N 88 123.072 123.072 118.530 4.542 19433 2331 1 5 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.869 -0.210 19433 2332 1 5 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.984 -3.765 19433 2333 1 5 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.507 -4.400 19433 2334 1 5 . 1 1 88 88 ASP H H 88 8.770 8.770 8.200 0.570 19433 2335 1 5 . 1 1 89 89 GLU N N 89 117.437 117.437 119.133 -1.696 19433 2336 1 5 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.037 0.039 19433 2337 1 5 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.143 -3.155 19433 2338 1 5 . 1 1 89 89 GLU CB C 89 26.162 26.162 29.492 -3.330 19433 2339 1 5 . 1 1 89 89 GLU H H 89 9.033 9.033 8.780 0.253 19433 2340 1 5 . 1 1 90 90 ASN N N 90 118.824 118.824 117.402 1.422 19433 2341 1 5 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.785 0.001 19433 2342 1 5 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.323 -2.153 19433 2343 1 5 . 1 1 90 90 ASN CB C 90 36.696 36.696 37.839 -1.143 19433 2344 1 5 . 1 1 90 90 ASN H H 90 8.351 8.351 7.922 0.429 19433 2345 1 5 . 1 1 91 91 ALA N N 91 118.167 118.167 120.457 -2.290 19433 2346 1 5 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.792 -0.040 19433 2347 1 5 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.191 -1.936 19433 2348 1 5 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.162 -3.244 19433 2349 1 5 . 1 1 91 91 ALA H H 91 8.284 8.284 7.868 0.416 19433 2350 1 5 . 1 1 92 92 ASP N N 92 118.574 118.574 117.066 1.508 19433 2351 1 5 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.722 0.210 19433 2352 1 5 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.390 -3.574 19433 2353 1 5 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.506 -3.336 19433 2354 1 5 . 1 1 92 92 ASP H H 92 8.215 8.215 7.425 0.790 19433 2355 1 5 . 1 1 93 93 VAL N N 93 121.604 121.604 119.838 1.766 19433 2356 1 5 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.457 -0.388 19433 2357 1 5 . 1 1 93 93 VAL CA C 93 60.454 60.454 61.915 -1.461 19433 2358 1 5 . 1 1 93 93 VAL CB C 93 28.988 28.988 32.670 -3.682 19433 2359 1 5 . 1 1 93 93 VAL H H 93 8.440 8.440 8.548 -0.108 19433 2360 1 5 . 1 1 94 94 GLN N N 94 125.344 125.344 126.295 -0.951 19433 2361 1 5 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.907 -0.146 19433 2362 1 5 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.789 -2.475 19433 2363 1 5 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.736 -2.337 19433 2364 1 5 . 1 1 94 94 GLN H H 94 8.958 8.958 8.180 0.778 19433 2365 1 5 . 1 1 95 95 VAL N N 95 119.370 119.370 118.052 1.318 19433 2366 1 5 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.412 0.649 19433 2367 1 5 . 1 1 95 95 VAL CA C 95 57.280 57.280 62.173 -4.893 19433 2368 1 5 . 1 1 95 95 VAL CB C 95 30.926 30.926 35.189 -4.263 19433 2369 1 5 . 1 1 95 95 VAL H H 95 8.420 8.420 8.390 0.030 19433 2370 1 5 . 1 1 96 96 PHE N N 96 126.219 126.219 127.635 -1.416 19433 2371 1 5 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.058 -0.026 19433 2372 1 5 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.717 -2.827 19433 2373 1 5 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.550 -3.047 19433 2374 1 5 . 1 1 96 96 PHE H H 96 9.314 9.314 9.026 0.288 19433 2375 1 5 . 1 1 97 97 ILE N N 97 123.424 123.424 115.029 8.395 19433 2376 1 5 . 1 1 97 97 ILE HA H 97 4.814 4.814 3.985 0.829 19433 2377 1 5 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.251 -2.185 19433 2378 1 5 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.408 -3.131 19433 2379 1 5 . 1 1 97 97 ILE H H 97 7.613 7.613 6.613 1.000 19433 2380 1 5 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.306 -0.036 19433 2381 1 5 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.264 -2.266 19433 2382 1 5 . 1 1 98 98 PRO CB C 98 29.657 29.657 30.333 -0.676 19433 2383 1 5 . 1 1 99 99 GLN N N 99 121.028 121.028 122.752 -1.724 19433 2384 1 5 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.293 0.162 19433 2385 1 5 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.851 -2.231 19433 2386 1 5 . 1 1 99 99 GLN CB C 99 28.443 28.443 29.721 -1.278 19433 2387 1 5 . 1 1 99 99 GLN H H 99 8.507 8.507 7.641 0.866 19433 2388 1 5 . 1 1 100 100 GLY N N 100 110.029 110.029 106.453 3.576 19433 2389 1 5 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.309 -2.681 19433 2390 1 5 . 1 1 100 100 GLY H H 100 8.356 8.356 8.475 -0.119 19433 2391 1 5 . 1 1 101 101 GLU N N 101 120.385 120.385 120.782 -0.397 19433 2392 1 5 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.609 -0.318 19433 2393 1 5 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.739 -1.988 19433 2394 1 5 . 1 1 101 101 GLU CB C 101 27.830 27.830 29.501 -1.671 19433 2395 1 5 . 1 1 101 101 GLU H H 101 8.378 8.378 8.438 -0.060 19433 2396 1 5 . 1 1 102 102 ILE N N 102 120.838 120.838 122.386 -1.548 19433 2397 1 5 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.322 -0.156 19433 2398 1 5 . 1 1 102 102 ILE CA C 102 58.368 58.368 61.094 -2.726 19433 2399 1 5 . 1 1 102 102 ILE CB C 102 36.713 36.713 39.012 -2.299 19433 2400 1 5 . 1 1 102 102 ILE H H 102 8.168 8.168 7.979 0.189 19433 2401 1 6 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.583 -0.352 19433 2402 1 6 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.141 -1.608 19433 2403 1 6 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.317 -3.673 19433 2404 1 6 . 1 1 3 3 GLN N N 3 118.180 118.180 119.076 -0.896 19433 2405 1 6 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.362 -0.094 19433 2406 1 6 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.559 -3.120 19433 2407 1 6 . 1 1 3 3 GLN H H 3 8.579 8.579 8.245 0.334 19433 2408 1 6 . 1 1 4 4 ASP N N 4 120.328 120.328 117.893 2.435 19433 2409 1 6 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.771 -0.274 19433 2410 1 6 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.515 -2.750 19433 2411 1 6 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.514 -2.992 19433 2412 1 6 . 1 1 4 4 ASP H H 4 8.061 8.061 8.042 0.019 19433 2413 1 6 . 1 1 5 5 GLY N N 5 109.114 109.114 111.583 -2.469 19433 2414 1 6 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.220 -2.190 19433 2415 1 6 . 1 1 5 5 GLY H H 5 8.322 8.322 8.160 0.162 19433 2416 1 6 . 1 1 6 6 LYS N N 6 120.397 120.397 121.937 -1.540 19433 2417 1 6 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.536 -0.239 19433 2418 1 6 . 1 1 6 6 LYS CA C 6 53.319 53.319 57.104 -3.785 19433 2419 1 6 . 1 1 6 6 LYS CB C 6 30.441 30.441 33.059 -2.618 19433 2420 1 6 . 1 1 6 6 LYS H H 6 8.030 8.030 8.192 -0.162 19433 2421 1 6 . 1 1 7 7 GLU N N 7 122.113 122.113 122.607 -0.494 19433 2422 1 6 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.538 -0.243 19433 2423 1 6 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.218 -2.931 19433 2424 1 6 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.783 -3.026 19433 2425 1 6 . 1 1 7 7 GLU H H 7 8.464 8.464 8.717 -0.253 19433 2426 1 6 . 1 1 8 8 THR N N 8 114.459 114.459 113.413 1.046 19433 2427 1 6 . 1 1 8 8 THR HA H 8 4.543 4.543 4.351 0.192 19433 2428 1 6 . 1 1 8 8 THR CA C 8 57.966 57.966 62.143 -4.177 19433 2429 1 6 . 1 1 8 8 THR CB C 8 68.123 68.123 69.545 -1.422 19433 2430 1 6 . 1 1 8 8 THR H H 8 7.984 7.984 7.760 0.224 19433 2431 1 6 . 1 1 9 9 THR N N 9 116.229 116.229 114.046 2.183 19433 2432 1 6 . 1 1 9 9 THR HA H 9 4.584 4.584 4.613 -0.029 19433 2433 1 6 . 1 1 9 9 THR CA C 9 58.575 58.575 61.486 -2.911 19433 2434 1 6 . 1 1 9 9 THR CB C 9 67.866 67.866 69.983 -2.117 19433 2435 1 6 . 1 1 9 9 THR H H 9 8.140 8.140 7.956 0.184 19433 2436 1 6 . 1 1 10 10 THR N N 10 118.509 118.509 115.006 3.503 19433 2437 1 6 . 1 1 10 10 THR HA H 10 4.563 4.563 4.665 -0.102 19433 2438 1 6 . 1 1 10 10 THR CA C 10 59.364 59.364 61.584 -2.220 19433 2439 1 6 . 1 1 10 10 THR CB C 10 68.411 68.411 72.090 -3.679 19433 2440 1 6 . 1 1 10 10 THR H H 10 8.544 8.544 8.140 0.404 19433 2441 1 6 . 1 1 11 11 ILE N N 11 126.772 126.772 121.364 5.408 19433 2442 1 6 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.513 -0.488 19433 2443 1 6 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.531 -2.208 19433 2444 1 6 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.647 -5.306 19433 2445 1 6 . 1 1 11 11 ILE H H 11 8.595 8.595 8.480 0.115 19433 2446 1 6 . 1 1 12 12 ARG N N 12 125.922 125.922 124.984 0.938 19433 2447 1 6 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.879 0.114 19433 2448 1 6 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.625 -3.735 19433 2449 1 6 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.204 -3.240 19433 2450 1 6 . 1 1 12 12 ARG H H 12 8.031 8.031 8.776 -0.745 19433 2451 1 6 . 1 1 13 13 LEU N N 13 126.771 126.771 127.117 -0.346 19433 2452 1 6 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.638 0.305 19433 2453 1 6 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.409 -3.783 19433 2454 1 6 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.706 -1.673 19433 2455 1 6 . 1 1 13 13 LEU H H 13 8.828 8.828 9.008 -0.180 19433 2456 1 6 . 1 1 14 14 ILE N N 14 123.438 123.438 122.091 1.347 19433 2457 1 6 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.690 -0.513 19433 2458 1 6 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.320 -1.806 19433 2459 1 6 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.409 -1.742 19433 2460 1 6 . 1 1 14 14 ILE H H 14 8.847 8.847 9.146 -0.299 19433 2461 1 6 . 1 1 15 15 ASN N N 15 123.130 123.130 124.153 -1.023 19433 2462 1 6 . 1 1 15 15 ASN HA H 15 4.880 4.880 5.014 -0.134 19433 2463 1 6 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.155 -2.487 19433 2464 1 6 . 1 1 15 15 ASN CB C 15 34.821 34.821 37.986 -3.166 19433 2465 1 6 . 1 1 15 15 ASN H H 15 8.446 8.446 9.111 -0.665 19433 2466 1 6 . 1 1 16 16 GLN N N 16 125.061 125.061 118.127 6.934 19433 2467 1 6 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.496 1.035 19433 2468 1 6 . 1 1 16 16 GLN CA C 16 52.160 52.160 56.576 -4.416 19433 2469 1 6 . 1 1 16 16 GLN CB C 16 26.904 26.904 28.132 -1.228 19433 2470 1 6 . 1 1 16 16 GLN H H 16 9.063 9.063 7.624 1.439 19433 2471 1 6 . 1 1 17 17 THR N N 17 110.936 110.936 111.921 -0.985 19433 2472 1 6 . 1 1 17 17 THR HA H 17 4.415 4.415 4.009 0.406 19433 2473 1 6 . 1 1 17 17 THR CA C 17 58.240 58.240 61.047 -2.807 19433 2474 1 6 . 1 1 17 17 THR CB C 17 67.913 67.913 68.965 -1.052 19433 2475 1 6 . 1 1 17 17 THR H H 17 7.765 7.765 7.250 0.515 19433 2476 1 6 . 1 1 18 18 TYR N N 18 112.380 112.380 116.344 -3.964 19433 2477 1 6 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.686 -0.331 19433 2478 1 6 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.237 -1.208 19433 2479 1 6 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.526 -2.959 19433 2480 1 6 . 1 1 18 18 TYR H H 18 6.950 6.950 8.160 -1.210 19433 2481 1 6 . 1 1 19 19 PHE N N 19 119.710 119.710 116.281 3.429 19433 2482 1 6 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.819 0.177 19433 2483 1 6 . 1 1 19 19 PHE CA C 19 52.010 52.010 53.962 -1.952 19433 2484 1 6 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.436 -1.965 19433 2485 1 6 . 1 1 19 19 PHE H H 19 8.014 8.014 6.742 1.272 19433 2486 1 6 . 1 1 20 20 ASN N N 20 117.921 117.921 117.348 0.573 19433 2487 1 6 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.490 -0.801 19433 2488 1 6 . 1 1 20 20 ASN CA C 20 52.037 52.037 51.903 0.134 19433 2489 1 6 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.663 -5.357 19433 2490 1 6 . 1 1 20 20 ASN H H 20 8.724 8.724 8.425 0.299 19433 2491 1 6 . 1 1 21 21 VAL N N 21 115.311 115.311 116.471 -1.160 19433 2492 1 6 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.734 0.150 19433 2493 1 6 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.993 -2.492 19433 2494 1 6 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.206 -3.361 19433 2495 1 6 . 1 1 21 21 VAL H H 21 8.186 8.186 9.052 -0.866 19433 2496 1 6 . 1 1 22 22 LYS N N 22 119.772 119.772 121.890 -2.118 19433 2497 1 6 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.740 0.262 19433 2498 1 6 . 1 1 22 22 LYS CA C 22 51.533 51.533 56.059 -4.526 19433 2499 1 6 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.204 1.061 19433 2500 1 6 . 1 1 22 22 LYS H H 22 9.331 9.331 8.866 0.465 19433 2501 1 6 . 1 1 23 23 ASN N N 23 116.781 116.781 115.497 1.284 19433 2502 1 6 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.754 -0.551 19433 2503 1 6 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.755 -1.822 19433 2504 1 6 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.848 -4.328 19433 2505 1 6 . 1 1 23 23 ASN H H 23 8.573 8.573 8.281 0.292 19433 2506 1 6 . 1 1 24 24 ILE N N 24 118.303 118.303 121.881 -3.578 19433 2507 1 6 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.261 0.483 19433 2508 1 6 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.352 -3.808 19433 2509 1 6 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.461 -1.225 19433 2510 1 6 . 1 1 24 24 ILE H H 24 8.329 8.329 8.062 0.267 19433 2511 1 6 . 1 1 25 25 LYS N N 25 129.189 129.189 128.575 0.614 19433 2512 1 6 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.675 0.211 19433 2513 1 6 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.648 -2.887 19433 2514 1 6 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.450 -1.803 19433 2515 1 6 . 1 1 25 25 LYS H H 25 9.102 9.102 8.875 0.227 19433 2516 1 6 . 1 1 26 26 VAL N N 26 129.283 129.283 124.746 4.537 19433 2517 1 6 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.650 0.316 19433 2518 1 6 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.870 -1.771 19433 2519 1 6 . 1 1 26 26 VAL CB C 26 31.370 31.370 35.648 -4.278 19433 2520 1 6 . 1 1 26 26 VAL H H 26 9.057 9.057 8.945 0.112 19433 2521 1 6 . 1 1 27 27 THR N N 27 120.185 120.185 121.438 -1.253 19433 2522 1 6 . 1 1 27 27 THR HA H 27 5.542 5.542 5.202 0.340 19433 2523 1 6 . 1 1 27 27 THR CA C 27 56.977 56.977 62.388 -5.411 19433 2524 1 6 . 1 1 27 27 THR CB C 27 68.220 68.220 70.920 -2.700 19433 2525 1 6 . 1 1 27 27 THR H H 27 9.177 9.177 8.469 0.708 19433 2526 1 6 . 1 1 28 28 TRP N N 28 123.046 123.046 124.179 -1.133 19433 2527 1 6 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.474 -0.084 19433 2528 1 6 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.576 -1.959 19433 2529 1 6 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.664 -1.702 19433 2530 1 6 . 1 1 28 28 TRP H H 28 8.787 8.787 8.559 0.228 19433 2531 1 6 . 1 1 29 29 ASN N N 29 116.792 116.792 117.997 -1.205 19433 2532 1 6 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.790 -1.374 19433 2533 1 6 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.080 -0.815 19433 2534 1 6 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.278 -7.099 19433 2535 1 6 . 1 1 29 29 ASN H H 29 8.193 8.193 7.374 0.819 19433 2536 1 6 . 1 1 30 30 ASP N N 30 118.710 118.710 121.284 -2.574 19433 2537 1 6 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.595 -0.078 19433 2538 1 6 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.840 -4.378 19433 2539 1 6 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.078 -2.580 19433 2540 1 6 . 1 1 30 30 ASP H H 30 8.937 8.937 8.601 0.336 19433 2541 1 6 . 1 1 31 31 GLY N N 31 106.542 106.542 109.534 -2.992 19433 2542 1 6 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.772 -1.306 19433 2543 1 6 . 1 1 31 31 GLY H H 31 7.594 7.594 7.984 -0.390 19433 2544 1 6 . 1 1 32 32 LYS N N 32 121.904 121.904 122.547 -0.643 19433 2545 1 6 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.129 -0.240 19433 2546 1 6 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.445 -2.620 19433 2547 1 6 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.686 -3.555 19433 2548 1 6 . 1 1 32 32 LYS H H 32 7.510 7.510 7.785 -0.275 19433 2549 1 6 . 1 1 33 33 GLU N N 33 119.124 119.124 121.921 -2.797 19433 2550 1 6 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.852 0.428 19433 2551 1 6 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.300 -1.969 19433 2552 1 6 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.560 -1.851 19433 2553 1 6 . 1 1 33 33 GLU H H 33 7.843 7.843 8.048 -0.205 19433 2554 1 6 . 1 1 34 34 GLN N N 34 123.230 123.230 117.683 5.547 19433 2555 1 6 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.814 -0.391 19433 2556 1 6 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.600 -2.303 19433 2557 1 6 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.982 -1.740 19433 2558 1 6 . 1 1 34 34 GLN H H 34 9.114 9.114 8.871 0.243 19433 2559 1 6 . 1 1 35 35 THR N N 35 119.194 119.194 112.329 6.865 19433 2560 1 6 . 1 1 35 35 THR HA H 35 5.241 5.241 5.320 -0.079 19433 2561 1 6 . 1 1 35 35 THR CA C 35 58.075 58.075 59.685 -1.610 19433 2562 1 6 . 1 1 35 35 THR CB C 35 67.936 67.936 71.152 -3.216 19433 2563 1 6 . 1 1 35 35 THR H H 35 8.397 8.397 8.288 0.109 19433 2564 1 6 . 1 1 36 36 VAL N N 36 126.317 126.317 124.668 1.649 19433 2565 1 6 . 1 1 36 36 VAL HA H 36 4.166 4.166 3.767 0.399 19433 2566 1 6 . 1 1 36 36 VAL CA C 36 58.296 58.296 62.498 -4.202 19433 2567 1 6 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.530 -0.745 19433 2568 1 6 . 1 1 36 36 VAL H H 36 8.976 8.976 8.020 0.956 19433 2569 1 6 . 1 1 37 37 ASN N N 37 126.536 126.536 119.222 7.314 19433 2570 1 6 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.591 -0.230 19433 2571 1 6 . 1 1 37 37 ASN CA C 37 55.094 55.094 54.862 0.232 19433 2572 1 6 . 1 1 37 37 ASN CB C 37 35.754 35.754 39.523 -3.769 19433 2573 1 6 . 1 1 37 37 ASN H H 37 8.974 8.974 8.494 0.480 19433 2574 1 6 . 1 1 38 38 THR N N 38 112.460 112.460 112.845 -0.385 19433 2575 1 6 . 1 1 38 38 THR HA H 38 4.850 4.850 4.878 -0.028 19433 2576 1 6 . 1 1 38 38 THR CA C 38 58.536 58.536 61.878 -3.342 19433 2577 1 6 . 1 1 38 38 THR CB C 38 69.085 69.085 71.921 -2.836 19433 2578 1 6 . 1 1 38 38 THR H H 38 7.762 7.762 7.848 -0.086 19433 2579 1 6 . 1 1 39 39 LEU N N 39 126.316 126.316 123.947 2.369 19433 2580 1 6 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.677 -0.134 19433 2581 1 6 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.205 -2.420 19433 2582 1 6 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.797 -3.456 19433 2583 1 6 . 1 1 39 39 LEU H H 39 8.572 8.572 9.111 -0.539 19433 2584 1 6 . 1 1 40 40 GLY N N 40 116.669 116.669 111.705 4.964 19433 2585 1 6 . 1 1 40 40 GLY CA C 40 42.265 42.265 43.882 -1.617 19433 2586 1 6 . 1 1 40 40 GLY H H 40 9.303 9.303 8.313 0.990 19433 2587 1 6 . 1 1 41 41 SER N N 41 113.384 113.384 116.308 -2.924 19433 2588 1 6 . 1 1 41 41 SER HA H 41 3.612 3.612 4.191 -0.579 19433 2589 1 6 . 1 1 41 41 SER CA C 41 56.211 56.211 60.290 -4.079 19433 2590 1 6 . 1 1 41 41 SER CB C 41 60.482 60.482 63.373 -2.891 19433 2591 1 6 . 1 1 41 41 SER H H 41 7.883 7.883 8.453 -0.570 19433 2592 1 6 . 1 1 42 42 HIS N N 42 120.045 120.045 119.384 0.661 19433 2593 1 6 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.127 0.305 19433 2594 1 6 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.737 -3.733 19433 2595 1 6 . 1 1 42 42 HIS CB C 42 23.445 23.445 29.443 -5.998 19433 2596 1 6 . 1 1 42 42 HIS H H 42 7.882 7.882 8.859 -0.977 19433 2597 1 6 . 1 1 43 43 ASP N N 43 119.308 119.308 118.725 0.583 19433 2598 1 6 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.656 0.381 19433 2599 1 6 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.989 -5.911 19433 2600 1 6 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.160 -1.451 19433 2601 1 6 . 1 1 43 43 ASP H H 43 7.906 7.906 7.840 0.066 19433 2602 1 6 . 1 1 44 44 SER N N 44 111.544 111.544 113.467 -1.923 19433 2603 1 6 . 1 1 44 44 SER HA H 44 5.617 5.617 5.421 0.196 19433 2604 1 6 . 1 1 44 44 SER CA C 44 53.597 53.597 57.089 -3.491 19433 2605 1 6 . 1 1 44 44 SER CB C 44 65.207 65.207 66.680 -1.473 19433 2606 1 6 . 1 1 44 44 SER H H 44 8.396 8.396 8.298 0.098 19433 2607 1 6 . 1 1 45 45 ILE N N 45 119.898 119.898 120.696 -0.798 19433 2608 1 6 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.598 -0.088 19433 2609 1 6 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.656 -3.616 19433 2610 1 6 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.722 -3.476 19433 2611 1 6 . 1 1 45 45 ILE H H 45 8.726 8.726 8.709 0.017 19433 2612 1 6 . 1 1 46 46 ASP N N 46 123.866 123.866 126.426 -2.560 19433 2613 1 6 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.501 0.020 19433 2614 1 6 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.461 -3.088 19433 2615 1 6 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.211 -2.399 19433 2616 1 6 . 1 1 46 46 ASP H H 46 7.891 7.891 8.292 -0.401 19433 2617 1 6 . 1 1 47 47 PHE N N 47 116.649 116.649 116.531 0.118 19433 2618 1 6 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.805 -0.032 19433 2619 1 6 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.682 -2.594 19433 2620 1 6 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.431 -3.691 19433 2621 1 6 . 1 1 47 47 PHE H H 47 8.654 8.654 8.194 0.460 19433 2622 1 6 . 1 1 48 48 SER N N 48 114.033 114.033 118.005 -3.972 19433 2623 1 6 . 1 1 48 48 SER HA H 48 4.729 4.729 4.480 0.249 19433 2624 1 6 . 1 1 48 48 SER CA C 48 49.403 49.403 58.227 -8.824 19433 2625 1 6 . 1 1 48 48 SER CB C 48 61.957 61.957 63.624 -1.667 19433 2626 1 6 . 1 1 48 48 SER H H 48 8.667 8.667 8.382 0.285 19433 2627 1 6 . 1 1 49 49 SER N N 49 119.169 119.169 122.983 -3.814 19433 2628 1 6 . 1 1 49 49 SER HA H 49 4.357 4.357 4.045 0.312 19433 2629 1 6 . 1 1 49 49 SER CA C 49 55.003 55.003 57.856 -2.853 19433 2630 1 6 . 1 1 49 49 SER CB C 49 61.708 61.708 63.399 -1.691 19433 2631 1 6 . 1 1 49 49 SER H H 49 8.644 8.644 7.933 0.711 19433 2632 1 6 . 1 1 50 50 ASP N N 50 120.389 120.389 125.221 -4.832 19433 2633 1 6 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.673 -0.228 19433 2634 1 6 . 1 1 50 50 ASP CA C 50 52.432 52.432 53.655 -1.223 19433 2635 1 6 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.390 -2.268 19433 2636 1 6 . 1 1 50 50 ASP H H 50 8.743 8.743 9.258 -0.515 19433 2637 1 6 . 1 1 51 51 ALA N N 51 120.149 120.149 120.692 -0.543 19433 2638 1 6 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.644 -0.018 19433 2639 1 6 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.079 -2.377 19433 2640 1 6 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.266 -2.070 19433 2641 1 6 . 1 1 51 51 ALA H H 51 8.178 8.178 7.459 0.719 19433 2642 1 6 . 1 1 52 52 GLY N N 52 106.575 106.575 106.069 0.506 19433 2643 1 6 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.766 -2.899 19433 2644 1 6 . 1 1 52 52 GLY H H 52 8.465 8.465 8.701 -0.236 19433 2645 1 6 . 1 1 53 53 SER N N 53 111.247 111.247 111.514 -0.267 19433 2646 1 6 . 1 1 53 53 SER HA H 53 4.371 4.371 4.663 -0.292 19433 2647 1 6 . 1 1 53 53 SER CA C 53 55.270 55.270 56.660 -1.390 19433 2648 1 6 . 1 1 53 53 SER CB C 53 61.515 61.515 65.019 -3.503 19433 2649 1 6 . 1 1 53 53 SER H H 53 7.606 7.606 7.407 0.199 19433 2650 1 6 . 1 1 54 54 VAL N N 54 124.481 124.481 120.151 4.330 19433 2651 1 6 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.119 0.187 19433 2652 1 6 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.078 -1.303 19433 2653 1 6 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.605 -4.912 19433 2654 1 6 . 1 1 54 54 VAL H H 54 8.587 8.587 8.194 0.393 19433 2655 1 6 . 1 1 55 55 TYR N N 55 122.616 122.616 116.737 5.879 19433 2656 1 6 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.112 0.069 19433 2657 1 6 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.515 -1.833 19433 2658 1 6 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.338 -2.461 19433 2659 1 6 . 1 1 55 55 TYR H H 55 8.586 8.586 8.256 0.330 19433 2660 1 6 . 1 1 56 56 LYS N N 56 121.197 121.197 119.568 1.629 19433 2661 1 6 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.089 -0.333 19433 2662 1 6 . 1 1 56 56 LYS CA C 56 53.406 53.406 54.976 -1.570 19433 2663 1 6 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.721 -4.248 19433 2664 1 6 . 1 1 56 56 LYS H H 56 7.276 7.276 7.614 -0.338 19433 2665 1 6 . 1 1 57 57 MET N N 57 122.040 122.040 122.123 -0.083 19433 2666 1 6 . 1 1 57 57 MET HA H 57 5.440 5.440 5.247 0.193 19433 2667 1 6 . 1 1 57 57 MET CA C 57 52.893 52.893 55.903 -3.010 19433 2668 1 6 . 1 1 57 57 MET CB C 57 35.646 35.646 37.100 -1.454 19433 2669 1 6 . 1 1 57 57 MET H H 57 8.637 8.637 8.999 -0.362 19433 2670 1 6 . 1 1 58 58 ASP N N 58 125.086 125.086 129.378 -4.292 19433 2671 1 6 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.090 0.650 19433 2672 1 6 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.870 -3.086 19433 2673 1 6 . 1 1 58 58 ASP CB C 58 42.339 42.339 41.759 0.580 19433 2674 1 6 . 1 1 58 58 ASP H H 58 9.367 9.367 8.477 0.890 19433 2675 1 6 . 1 1 59 59 VAL N N 59 120.817 120.817 119.900 0.917 19433 2676 1 6 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.253 0.805 19433 2677 1 6 . 1 1 59 59 VAL CA C 59 58.103 58.103 62.336 -4.233 19433 2678 1 6 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.055 0.727 19433 2679 1 6 . 1 1 59 59 VAL H H 59 8.890 8.890 8.023 0.867 19433 2680 1 6 . 1 1 60 60 THR N N 60 120.028 120.028 118.708 1.320 19433 2681 1 6 . 1 1 60 60 THR HA H 60 5.125 5.125 4.969 0.156 19433 2682 1 6 . 1 1 60 60 THR CA C 60 56.923 56.923 60.985 -4.062 19433 2683 1 6 . 1 1 60 60 THR CB C 60 68.946 68.946 70.903 -1.956 19433 2684 1 6 . 1 1 60 60 THR H H 60 8.578 8.578 8.860 -0.282 19433 2685 1 6 . 1 1 61 61 GLY N N 61 108.812 108.812 112.229 -3.417 19433 2686 1 6 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.494 -1.300 19433 2687 1 6 . 1 1 61 61 GLY H H 61 7.330 7.330 8.272 -0.942 19433 2688 1 6 . 1 1 62 62 THR N N 62 111.342 111.342 114.425 -3.083 19433 2689 1 6 . 1 1 62 62 THR HA H 62 5.333 5.333 5.241 0.092 19433 2690 1 6 . 1 1 62 62 THR CA C 62 57.514 57.514 60.913 -3.399 19433 2691 1 6 . 1 1 62 62 THR CB C 62 69.348 69.348 72.251 -2.902 19433 2692 1 6 . 1 1 62 62 THR H H 62 8.013 8.013 7.829 0.184 19433 2693 1 6 . 1 1 63 63 THR N N 63 115.003 115.003 116.006 -1.003 19433 2694 1 6 . 1 1 63 63 THR HA H 63 4.751 4.751 4.222 0.529 19433 2695 1 6 . 1 1 63 63 THR CA C 63 58.700 58.700 60.912 -2.212 19433 2696 1 6 . 1 1 63 63 THR CB C 63 68.654 68.654 70.299 -1.645 19433 2697 1 6 . 1 1 63 63 THR H H 63 9.432 9.432 8.764 0.668 19433 2698 1 6 . 1 1 64 64 GLN N N 64 120.671 120.671 120.947 -0.276 19433 2699 1 6 . 1 1 64 64 GLN HA H 64 3.842 3.842 3.939 -0.097 19433 2700 1 6 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.604 -3.332 19433 2701 1 6 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.455 -2.369 19433 2702 1 6 . 1 1 64 64 GLN H H 64 8.037 8.037 8.514 -0.477 19433 2703 1 6 . 1 1 65 65 SER N N 65 110.096 110.096 113.240 -3.144 19433 2704 1 6 . 1 1 65 65 SER HA H 65 4.351 4.351 4.258 0.093 19433 2705 1 6 . 1 1 65 65 SER CA C 65 55.577 55.577 59.020 -3.443 19433 2706 1 6 . 1 1 65 65 SER CB C 65 60.350 60.350 63.348 -2.998 19433 2707 1 6 . 1 1 65 65 SER H H 65 7.670 7.670 7.922 -0.252 19433 2708 1 6 . 1 1 66 66 GLY N N 66 109.466 109.466 108.971 0.495 19433 2709 1 6 . 1 1 66 66 GLY CA C 66 42.650 42.650 44.847 -2.197 19433 2710 1 6 . 1 1 66 66 GLY H H 66 7.810 7.810 7.622 0.188 19433 2711 1 6 . 1 1 67 67 GLU N N 67 121.149 121.149 120.244 0.905 19433 2712 1 6 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.355 -0.052 19433 2713 1 6 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.892 -1.973 19433 2714 1 6 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.149 -4.119 19433 2715 1 6 . 1 1 67 67 GLU H H 67 7.518 7.518 7.712 -0.194 19433 2716 1 6 . 1 1 68 68 LYS N N 68 124.553 124.553 124.073 0.480 19433 2717 1 6 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.865 0.021 19433 2718 1 6 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.486 -2.484 19433 2719 1 6 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.603 -3.104 19433 2720 1 6 . 1 1 68 68 LYS H H 68 8.631 8.631 8.358 0.273 19433 2721 1 6 . 1 1 69 69 PHE N N 69 119.363 119.363 122.332 -2.969 19433 2722 1 6 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.015 0.147 19433 2723 1 6 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.854 -3.244 19433 2724 1 6 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.342 -1.811 19433 2725 1 6 . 1 1 69 69 PHE H H 69 8.180 8.180 8.511 -0.331 19433 2726 1 6 . 1 1 70 70 THR N N 70 113.468 113.468 111.441 2.027 19433 2727 1 6 . 1 1 70 70 THR HA H 70 5.331 5.331 4.878 0.453 19433 2728 1 6 . 1 1 70 70 THR CA C 70 57.694 57.694 60.299 -2.605 19433 2729 1 6 . 1 1 70 70 THR CB C 70 69.969 69.969 72.475 -2.506 19433 2730 1 6 . 1 1 70 70 THR H H 70 8.623 8.623 8.392 0.231 19433 2731 1 6 . 1 1 71 71 GLY N N 71 110.469 110.469 108.168 2.301 19433 2732 1 6 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.382 -1.624 19433 2733 1 6 . 1 1 71 71 GLY H H 71 8.955 8.955 8.189 0.766 19433 2734 1 6 . 1 1 72 72 HIS N N 72 121.565 121.565 118.750 2.815 19433 2735 1 6 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.387 0.899 19433 2736 1 6 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.650 -4.730 19433 2737 1 6 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.415 1.994 19433 2738 1 6 . 1 1 72 72 HIS H H 72 8.162 8.162 7.903 0.259 19433 2739 1 6 . 1 1 73 73 PHE N N 73 122.114 122.114 122.418 -0.304 19433 2740 1 6 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.823 0.171 19433 2741 1 6 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.795 -2.793 19433 2742 1 6 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.685 -2.408 19433 2743 1 6 . 1 1 73 73 PHE H H 73 9.117 9.117 8.770 0.347 19433 2744 1 6 . 1 1 74 74 LYS N N 74 122.834 122.834 119.522 3.312 19433 2745 1 6 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.976 -0.100 19433 2746 1 6 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.517 -2.716 19433 2747 1 6 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.431 -3.690 19433 2748 1 6 . 1 1 74 74 LYS H H 74 8.889 8.889 8.474 0.415 19433 2749 1 6 . 1 1 75 75 GLY N N 75 109.821 109.821 109.223 0.598 19433 2750 1 6 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.823 -1.588 19433 2751 1 6 . 1 1 75 75 GLY H H 75 8.418 8.418 8.325 0.093 19433 2752 1 6 . 1 1 76 76 LEU N N 76 119.557 119.557 119.051 0.506 19433 2753 1 6 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.742 -0.402 19433 2754 1 6 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.619 -2.245 19433 2755 1 6 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.908 -3.249 19433 2756 1 6 . 1 1 76 76 LEU H H 76 7.893 7.893 7.783 0.110 19433 2757 1 6 . 1 1 77 77 VAL N N 77 118.411 118.411 113.932 4.479 19433 2758 1 6 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.501 -0.108 19433 2759 1 6 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.623 -2.178 19433 2760 1 6 . 1 1 77 77 VAL CB C 77 32.212 32.212 35.136 -2.925 19433 2761 1 6 . 1 1 77 77 VAL H H 77 8.583 8.583 7.973 0.610 19433 2762 1 6 . 1 1 78 78 GLY N N 78 111.284 111.284 108.682 2.602 19433 2763 1 6 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.431 -2.433 19433 2764 1 6 . 1 1 78 78 GLY H H 78 8.218 8.218 8.430 -0.212 19433 2765 1 6 . 1 1 79 79 LYS N N 79 120.895 120.895 120.085 0.810 19433 2766 1 6 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.244 0.033 19433 2767 1 6 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.406 -1.955 19433 2768 1 6 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.563 -2.286 19433 2769 1 6 . 1 1 79 79 LYS H H 79 8.347 8.347 8.435 -0.088 19433 2770 1 6 . 1 1 80 80 ASP N N 80 119.681 119.681 117.164 2.517 19433 2771 1 6 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.058 -0.251 19433 2772 1 6 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.402 -1.168 19433 2773 1 6 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.349 -5.325 19433 2774 1 6 . 1 1 80 80 ASP H H 80 7.993 7.993 7.287 0.706 19433 2775 1 6 . 1 1 81 81 THR N N 81 118.659 118.659 115.319 3.340 19433 2776 1 6 . 1 1 81 81 THR HA H 81 4.076 4.076 4.413 -0.337 19433 2777 1 6 . 1 1 81 81 THR CA C 81 60.371 60.371 61.761 -1.390 19433 2778 1 6 . 1 1 81 81 THR CB C 81 67.694 67.694 69.856 -2.162 19433 2779 1 6 . 1 1 81 81 THR H H 81 8.002 8.002 7.873 0.129 19433 2780 1 6 . 1 1 82 82 ARG N N 82 127.944 127.944 126.593 1.351 19433 2781 1 6 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.295 -0.698 19433 2782 1 6 . 1 1 82 82 ARG CA C 82 52.171 52.171 55.192 -3.021 19433 2783 1 6 . 1 1 82 82 ARG CB C 82 29.608 29.608 32.138 -2.530 19433 2784 1 6 . 1 1 82 82 ARG H H 82 8.183 8.183 8.522 -0.339 19433 2785 1 6 . 1 1 83 83 VAL N N 83 121.617 121.617 120.312 1.305 19433 2786 1 6 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.187 -0.123 19433 2787 1 6 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.740 -4.065 19433 2788 1 6 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.031 -3.716 19433 2789 1 6 . 1 1 83 83 VAL H H 83 8.639 8.639 8.280 0.359 19433 2790 1 6 . 1 1 84 84 PHE N N 84 124.702 124.702 127.065 -2.363 19433 2791 1 6 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.811 0.156 19433 2792 1 6 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.636 -0.837 19433 2793 1 6 . 1 1 84 84 PHE CB C 84 38.688 38.688 37.974 0.714 19433 2794 1 6 . 1 1 84 84 PHE H H 84 9.198 9.198 8.855 0.343 19433 2795 1 6 . 1 1 85 85 ILE N N 85 123.027 123.027 125.305 -2.278 19433 2796 1 6 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.046 0.401 19433 2797 1 6 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.653 -4.740 19433 2798 1 6 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.035 -1.165 19433 2799 1 6 . 1 1 85 85 ILE H H 85 8.650 8.650 8.445 0.205 19433 2800 1 6 . 1 1 86 86 GLU N N 86 124.137 124.137 124.841 -0.704 19433 2801 1 6 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.575 0.000 19433 2802 1 6 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.236 -2.704 19433 2803 1 6 . 1 1 86 86 GLU CB C 86 31.527 31.527 34.214 -2.687 19433 2804 1 6 . 1 1 86 86 GLU H H 86 8.754 8.754 7.873 0.881 19433 2805 1 6 . 1 1 87 87 LEU N N 87 120.087 120.087 119.842 0.245 19433 2806 1 6 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.159 -0.298 19433 2807 1 6 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.763 -2.633 19433 2808 1 6 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.790 -3.530 19433 2809 1 6 . 1 1 87 87 LEU H H 87 8.394 8.394 8.294 0.100 19433 2810 1 6 . 1 1 88 88 ASP N N 88 123.072 123.072 119.971 3.101 19433 2811 1 6 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.737 -0.078 19433 2812 1 6 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.971 -3.752 19433 2813 1 6 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.084 -3.977 19433 2814 1 6 . 1 1 88 88 ASP H H 88 8.770 8.770 8.253 0.517 19433 2815 1 6 . 1 1 89 89 GLU N N 89 117.437 117.437 118.396 -0.959 19433 2816 1 6 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.986 0.090 19433 2817 1 6 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.386 -3.398 19433 2818 1 6 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.611 -2.449 19433 2819 1 6 . 1 1 89 89 GLU H H 89 9.033 9.033 8.878 0.155 19433 2820 1 6 . 1 1 90 90 ASN N N 90 118.824 118.824 118.326 0.498 19433 2821 1 6 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.792 -0.006 19433 2822 1 6 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.943 -2.773 19433 2823 1 6 . 1 1 90 90 ASN CB C 90 36.696 36.696 40.309 -3.614 19433 2824 1 6 . 1 1 90 90 ASN H H 90 8.351 8.351 8.175 0.176 19433 2825 1 6 . 1 1 91 91 ALA N N 91 118.167 118.167 122.328 -4.161 19433 2826 1 6 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.827 -0.075 19433 2827 1 6 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.007 -1.752 19433 2828 1 6 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.057 -3.139 19433 2829 1 6 . 1 1 91 91 ALA H H 91 8.284 8.284 7.769 0.515 19433 2830 1 6 . 1 1 92 92 ASP N N 92 118.574 118.574 118.247 0.327 19433 2831 1 6 . 1 1 92 92 ASP HA H 92 4.932 4.932 5.080 -0.148 19433 2832 1 6 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.686 -2.870 19433 2833 1 6 . 1 1 92 92 ASP CB C 92 39.170 39.170 44.381 -5.211 19433 2834 1 6 . 1 1 92 92 ASP H H 92 8.215 8.215 7.564 0.651 19433 2835 1 6 . 1 1 93 93 VAL N N 93 121.604 121.604 121.291 0.313 19433 2836 1 6 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.016 0.053 19433 2837 1 6 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.456 -3.002 19433 2838 1 6 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.709 -2.720 19433 2839 1 6 . 1 1 93 93 VAL H H 93 8.440 8.440 8.680 -0.240 19433 2840 1 6 . 1 1 94 94 GLN N N 94 125.344 125.344 126.570 -1.226 19433 2841 1 6 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.774 -0.013 19433 2842 1 6 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.922 -2.608 19433 2843 1 6 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.779 -2.380 19433 2844 1 6 . 1 1 94 94 GLN H H 94 8.958 8.958 8.586 0.372 19433 2845 1 6 . 1 1 95 95 VAL N N 95 119.370 119.370 119.473 -0.103 19433 2846 1 6 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.513 0.548 19433 2847 1 6 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.750 -4.470 19433 2848 1 6 . 1 1 95 95 VAL CB C 95 30.926 30.926 31.883 -0.957 19433 2849 1 6 . 1 1 95 95 VAL H H 95 8.420 8.420 8.525 -0.105 19433 2850 1 6 . 1 1 96 96 PHE N N 96 126.219 126.219 129.382 -3.163 19433 2851 1 6 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.080 -0.048 19433 2852 1 6 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.441 -2.551 19433 2853 1 6 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.342 -2.838 19433 2854 1 6 . 1 1 96 96 PHE H H 96 9.314 9.314 8.729 0.585 19433 2855 1 6 . 1 1 97 97 ILE N N 97 123.424 123.424 117.625 5.799 19433 2856 1 6 . 1 1 97 97 ILE HA H 97 4.814 4.814 3.912 0.902 19433 2857 1 6 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.204 -2.138 19433 2858 1 6 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.208 -2.931 19433 2859 1 6 . 1 1 97 97 ILE H H 97 7.613 7.613 6.770 0.843 19433 2860 1 6 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.324 -0.054 19433 2861 1 6 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.560 -2.562 19433 2862 1 6 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.556 -1.899 19433 2863 1 6 . 1 1 99 99 GLN N N 99 121.028 121.028 122.176 -1.148 19433 2864 1 6 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.406 0.049 19433 2865 1 6 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.764 -2.144 19433 2866 1 6 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.974 -3.531 19433 2867 1 6 . 1 1 99 99 GLN H H 99 8.507 8.507 8.200 0.307 19433 2868 1 6 . 1 1 100 100 GLY N N 100 110.029 110.029 107.914 2.115 19433 2869 1 6 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.080 -2.452 19433 2870 1 6 . 1 1 100 100 GLY H H 100 8.356 8.356 8.377 -0.021 19433 2871 1 6 . 1 1 101 101 GLU N N 101 120.385 120.385 120.412 -0.027 19433 2872 1 6 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.532 -0.241 19433 2873 1 6 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.262 -2.511 19433 2874 1 6 . 1 1 101 101 GLU CB C 101 27.830 27.830 30.284 -2.454 19433 2875 1 6 . 1 1 101 101 GLU H H 101 8.378 8.378 8.118 0.260 19433 2876 1 6 . 1 1 102 102 ILE N N 102 120.838 120.838 118.438 2.400 19433 2877 1 6 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.424 -0.258 19433 2878 1 6 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.796 -2.428 19433 2879 1 6 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.992 -2.280 19433 2880 1 6 . 1 1 102 102 ILE H H 102 8.168 8.168 7.799 0.369 19433 2881 1 7 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.806 -0.575 19433 2882 1 7 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.620 -2.087 19433 2883 1 7 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.007 -3.363 19433 2884 1 7 . 1 1 3 3 GLN N N 3 118.180 118.180 119.539 -1.359 19433 2885 1 7 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.318 -0.050 19433 2886 1 7 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.026 -2.587 19433 2887 1 7 . 1 1 3 3 GLN H H 3 8.579 8.579 8.856 -0.277 19433 2888 1 7 . 1 1 4 4 ASP N N 4 120.328 120.328 116.708 3.620 19433 2889 1 7 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.714 -0.217 19433 2890 1 7 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.094 -2.329 19433 2891 1 7 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.173 -2.651 19433 2892 1 7 . 1 1 4 4 ASP H H 4 8.061 8.061 8.067 -0.006 19433 2893 1 7 . 1 1 5 5 GLY N N 5 109.114 109.114 107.097 2.017 19433 2894 1 7 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.073 -2.043 19433 2895 1 7 . 1 1 5 5 GLY H H 5 8.322 8.322 8.183 0.139 19433 2896 1 7 . 1 1 6 6 LYS N N 6 120.397 120.397 121.067 -0.670 19433 2897 1 7 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.496 -0.199 19433 2898 1 7 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.522 -3.203 19433 2899 1 7 . 1 1 6 6 LYS CB C 6 30.441 30.441 33.037 -2.596 19433 2900 1 7 . 1 1 6 6 LYS H H 6 8.030 8.030 7.939 0.091 19433 2901 1 7 . 1 1 7 7 GLU N N 7 122.113 122.113 121.525 0.588 19433 2902 1 7 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.326 -0.031 19433 2903 1 7 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.948 -2.661 19433 2904 1 7 . 1 1 7 7 GLU CB C 7 27.757 27.757 27.479 0.279 19433 2905 1 7 . 1 1 7 7 GLU H H 7 8.464 8.464 8.670 -0.206 19433 2906 1 7 . 1 1 8 8 THR N N 8 114.459 114.459 112.875 1.584 19433 2907 1 7 . 1 1 8 8 THR HA H 8 4.543 4.543 4.810 -0.267 19433 2908 1 7 . 1 1 8 8 THR CA C 8 57.966 57.966 59.903 -1.937 19433 2909 1 7 . 1 1 8 8 THR CB C 8 68.123 68.123 71.700 -3.577 19433 2910 1 7 . 1 1 8 8 THR H H 8 7.984 7.984 7.854 0.130 19433 2911 1 7 . 1 1 9 9 THR N N 9 116.229 116.229 112.002 4.227 19433 2912 1 7 . 1 1 9 9 THR HA H 9 4.584 4.584 4.845 -0.261 19433 2913 1 7 . 1 1 9 9 THR CA C 9 58.575 58.575 59.892 -1.317 19433 2914 1 7 . 1 1 9 9 THR CB C 9 67.866 67.866 71.127 -3.261 19433 2915 1 7 . 1 1 9 9 THR H H 9 8.140 8.140 8.535 -0.395 19433 2916 1 7 . 1 1 10 10 THR N N 10 118.509 118.509 117.071 1.438 19433 2917 1 7 . 1 1 10 10 THR HA H 10 4.563 4.563 4.631 -0.068 19433 2918 1 7 . 1 1 10 10 THR CA C 10 59.364 59.364 62.294 -2.930 19433 2919 1 7 . 1 1 10 10 THR CB C 10 68.411 68.411 69.910 -1.499 19433 2920 1 7 . 1 1 10 10 THR H H 10 8.544 8.544 8.547 -0.003 19433 2921 1 7 . 1 1 11 11 ILE N N 11 126.772 126.772 126.780 -0.008 19433 2922 1 7 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.384 -0.359 19433 2923 1 7 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.999 -2.676 19433 2924 1 7 . 1 1 11 11 ILE CB C 11 36.340 36.340 39.907 -3.567 19433 2925 1 7 . 1 1 11 11 ILE H H 11 8.595 8.595 8.451 0.144 19433 2926 1 7 . 1 1 12 12 ARG N N 12 125.922 125.922 123.966 1.956 19433 2927 1 7 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.819 0.174 19433 2928 1 7 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.377 -3.487 19433 2929 1 7 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.099 -3.135 19433 2930 1 7 . 1 1 12 12 ARG H H 12 8.031 8.031 8.003 0.028 19433 2931 1 7 . 1 1 13 13 LEU N N 13 126.771 126.771 125.780 0.991 19433 2932 1 7 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.705 0.238 19433 2933 1 7 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.936 -3.310 19433 2934 1 7 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.932 -1.899 19433 2935 1 7 . 1 1 13 13 LEU H H 13 8.828 8.828 9.006 -0.178 19433 2936 1 7 . 1 1 14 14 ILE N N 14 123.438 123.438 122.278 1.160 19433 2937 1 7 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.562 -0.385 19433 2938 1 7 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.334 -1.820 19433 2939 1 7 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.716 -2.049 19433 2940 1 7 . 1 1 14 14 ILE H H 14 8.847 8.847 8.748 0.099 19433 2941 1 7 . 1 1 15 15 ASN N N 15 123.130 123.130 124.259 -1.129 19433 2942 1 7 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.913 -0.033 19433 2943 1 7 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.865 -3.197 19433 2944 1 7 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.239 -3.418 19433 2945 1 7 . 1 1 15 15 ASN H H 15 8.446 8.446 8.838 -0.392 19433 2946 1 7 . 1 1 16 16 GLN N N 16 125.061 125.061 120.410 4.651 19433 2947 1 7 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.384 1.147 19433 2948 1 7 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.812 -2.652 19433 2949 1 7 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.743 0.161 19433 2950 1 7 . 1 1 16 16 GLN H H 16 9.063 9.063 7.940 1.123 19433 2951 1 7 . 1 1 17 17 THR N N 17 110.936 110.936 110.492 0.444 19433 2952 1 7 . 1 1 17 17 THR HA H 17 4.415 4.415 4.328 0.087 19433 2953 1 7 . 1 1 17 17 THR CA C 17 58.240 58.240 58.920 -0.680 19433 2954 1 7 . 1 1 17 17 THR CB C 17 67.913 67.913 70.093 -2.180 19433 2955 1 7 . 1 1 17 17 THR H H 17 7.765 7.765 7.865 -0.100 19433 2956 1 7 . 1 1 18 18 TYR N N 18 112.380 112.380 115.865 -3.485 19433 2957 1 7 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.871 -0.516 19433 2958 1 7 . 1 1 18 18 TYR CA C 18 54.029 54.029 54.557 -0.528 19433 2959 1 7 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.136 -2.569 19433 2960 1 7 . 1 1 18 18 TYR H H 18 6.950 6.950 8.081 -1.131 19433 2961 1 7 . 1 1 19 19 PHE N N 19 119.710 119.710 115.566 4.144 19433 2962 1 7 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.879 0.117 19433 2963 1 7 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.172 -2.162 19433 2964 1 7 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.359 -1.888 19433 2965 1 7 . 1 1 19 19 PHE H H 19 8.014 8.014 6.534 1.480 19433 2966 1 7 . 1 1 20 20 ASN N N 20 117.921 117.921 117.381 0.540 19433 2967 1 7 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.418 -0.729 19433 2968 1 7 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.253 -0.216 19433 2969 1 7 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.232 -4.926 19433 2970 1 7 . 1 1 20 20 ASN H H 20 8.724 8.724 8.503 0.221 19433 2971 1 7 . 1 1 21 21 VAL N N 21 115.311 115.311 114.999 0.312 19433 2972 1 7 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.971 -0.087 19433 2973 1 7 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.240 -2.739 19433 2974 1 7 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.873 -4.029 19433 2975 1 7 . 1 1 21 21 VAL H H 21 8.186 8.186 8.720 -0.534 19433 2976 1 7 . 1 1 22 22 LYS N N 22 119.772 119.772 120.831 -1.059 19433 2977 1 7 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.787 0.215 19433 2978 1 7 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.717 -4.184 19433 2979 1 7 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.197 1.068 19433 2980 1 7 . 1 1 22 22 LYS H H 22 9.331 9.331 8.489 0.842 19433 2981 1 7 . 1 1 23 23 ASN N N 23 116.781 116.781 114.469 2.312 19433 2982 1 7 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.787 -0.584 19433 2983 1 7 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.568 -1.635 19433 2984 1 7 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.318 -4.798 19433 2985 1 7 . 1 1 23 23 ASN H H 23 8.573 8.573 8.243 0.330 19433 2986 1 7 . 1 1 24 24 ILE N N 24 118.303 118.303 121.239 -2.936 19433 2987 1 7 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.161 0.583 19433 2988 1 7 . 1 1 24 24 ILE CA C 24 57.544 57.544 59.285 -1.741 19433 2989 1 7 . 1 1 24 24 ILE CB C 24 36.236 36.236 36.383 -0.147 19433 2990 1 7 . 1 1 24 24 ILE H H 24 8.329 8.329 8.121 0.208 19433 2991 1 7 . 1 1 25 25 LYS N N 25 129.189 129.189 128.894 0.295 19433 2992 1 7 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.782 0.104 19433 2993 1 7 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.503 -2.742 19433 2994 1 7 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.153 -1.506 19433 2995 1 7 . 1 1 25 25 LYS H H 25 9.102 9.102 8.564 0.538 19433 2996 1 7 . 1 1 26 26 VAL N N 26 129.283 129.283 126.214 3.069 19433 2997 1 7 . 1 1 26 26 VAL HA H 26 4.966 4.966 5.384 -0.418 19433 2998 1 7 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.405 -1.306 19433 2999 1 7 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.737 -5.367 19433 3000 1 7 . 1 1 26 26 VAL H H 26 9.057 9.057 8.905 0.152 19433 3001 1 7 . 1 1 27 27 THR N N 27 120.185 120.185 121.162 -0.977 19433 3002 1 7 . 1 1 27 27 THR HA H 27 5.542 5.542 5.232 0.310 19433 3003 1 7 . 1 1 27 27 THR CA C 27 56.977 56.977 62.118 -5.141 19433 3004 1 7 . 1 1 27 27 THR CB C 27 68.220 68.220 71.203 -2.983 19433 3005 1 7 . 1 1 27 27 THR H H 27 9.177 9.177 9.201 -0.024 19433 3006 1 7 . 1 1 28 28 TRP N N 28 123.046 123.046 123.934 -0.888 19433 3007 1 7 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.447 -0.057 19433 3008 1 7 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.564 -1.947 19433 3009 1 7 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.138 -1.176 19433 3010 1 7 . 1 1 28 28 TRP H H 28 8.787 8.787 8.437 0.350 19433 3011 1 7 . 1 1 29 29 ASN N N 29 116.792 116.792 118.146 -1.354 19433 3012 1 7 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.676 -1.260 19433 3013 1 7 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.267 -1.002 19433 3014 1 7 . 1 1 29 29 ASN CB C 29 34.179 34.179 40.975 -6.796 19433 3015 1 7 . 1 1 29 29 ASN H H 29 8.193 8.193 7.337 0.856 19433 3016 1 7 . 1 1 30 30 ASP N N 30 118.710 118.710 120.889 -2.179 19433 3017 1 7 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.566 -0.049 19433 3018 1 7 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.150 -2.688 19433 3019 1 7 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.634 -3.136 19433 3020 1 7 . 1 1 30 30 ASP H H 30 8.937 8.937 8.464 0.473 19433 3021 1 7 . 1 1 31 31 GLY N N 31 106.542 106.542 107.917 -1.375 19433 3022 1 7 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.724 -1.258 19433 3023 1 7 . 1 1 31 31 GLY H H 31 7.594 7.594 7.702 -0.108 19433 3024 1 7 . 1 1 32 32 LYS N N 32 121.904 121.904 122.219 -0.315 19433 3025 1 7 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.094 -0.205 19433 3026 1 7 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.026 -2.201 19433 3027 1 7 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.658 -3.528 19433 3028 1 7 . 1 1 32 32 LYS H H 32 7.510 7.510 7.824 -0.314 19433 3029 1 7 . 1 1 33 33 GLU N N 33 119.124 119.124 122.660 -3.536 19433 3030 1 7 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.953 0.327 19433 3031 1 7 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.487 -2.156 19433 3032 1 7 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.255 -1.546 19433 3033 1 7 . 1 1 33 33 GLU H H 33 7.843 7.843 8.053 -0.210 19433 3034 1 7 . 1 1 34 34 GLN N N 34 123.230 123.230 118.275 4.955 19433 3035 1 7 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.825 -0.403 19433 3036 1 7 . 1 1 34 34 GLN CA C 34 52.297 52.297 55.044 -2.748 19433 3037 1 7 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.354 -2.112 19433 3038 1 7 . 1 1 34 34 GLN H H 34 9.114 9.114 9.045 0.069 19433 3039 1 7 . 1 1 35 35 THR N N 35 119.194 119.194 112.610 6.584 19433 3040 1 7 . 1 1 35 35 THR HA H 35 5.241 5.241 5.433 -0.192 19433 3041 1 7 . 1 1 35 35 THR CA C 35 58.075 58.075 58.845 -0.770 19433 3042 1 7 . 1 1 35 35 THR CB C 35 67.936 67.936 71.353 -3.417 19433 3043 1 7 . 1 1 35 35 THR H H 35 8.397 8.397 8.254 0.143 19433 3044 1 7 . 1 1 36 36 VAL N N 36 126.317 126.317 120.000 6.317 19433 3045 1 7 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.248 -0.082 19433 3046 1 7 . 1 1 36 36 VAL CA C 36 58.296 58.296 59.984 -1.688 19433 3047 1 7 . 1 1 36 36 VAL CB C 36 31.785 31.785 33.474 -1.689 19433 3048 1 7 . 1 1 36 36 VAL H H 36 8.976 8.976 7.894 1.082 19433 3049 1 7 . 1 1 37 37 ASN N N 37 126.536 126.536 119.864 6.672 19433 3050 1 7 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.539 -0.178 19433 3051 1 7 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.540 -0.446 19433 3052 1 7 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.862 -3.108 19433 3053 1 7 . 1 1 37 37 ASN H H 37 8.974 8.974 8.715 0.259 19433 3054 1 7 . 1 1 38 38 THR N N 38 112.460 112.460 111.947 0.513 19433 3055 1 7 . 1 1 38 38 THR HA H 38 4.850 4.850 4.784 0.066 19433 3056 1 7 . 1 1 38 38 THR CA C 38 58.536 58.536 62.078 -3.542 19433 3057 1 7 . 1 1 38 38 THR CB C 38 69.085 69.085 71.914 -2.829 19433 3058 1 7 . 1 1 38 38 THR H H 38 7.762 7.762 7.714 0.048 19433 3059 1 7 . 1 1 39 39 LEU N N 39 126.316 126.316 124.980 1.336 19433 3060 1 7 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.753 -0.210 19433 3061 1 7 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.404 -2.619 19433 3062 1 7 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.668 -3.327 19433 3063 1 7 . 1 1 39 39 LEU H H 39 8.572 8.572 9.226 -0.654 19433 3064 1 7 . 1 1 40 40 GLY N N 40 116.669 116.669 112.285 4.384 19433 3065 1 7 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.097 -1.832 19433 3066 1 7 . 1 1 40 40 GLY H H 40 9.303 9.303 8.834 0.469 19433 3067 1 7 . 1 1 41 41 SER N N 41 113.384 113.384 116.128 -2.744 19433 3068 1 7 . 1 1 41 41 SER HA H 41 3.612 3.612 4.083 -0.471 19433 3069 1 7 . 1 1 41 41 SER CA C 41 56.211 56.211 59.619 -3.408 19433 3070 1 7 . 1 1 41 41 SER CB C 41 60.482 60.482 63.394 -2.912 19433 3071 1 7 . 1 1 41 41 SER H H 41 7.883 7.883 8.389 -0.506 19433 3072 1 7 . 1 1 42 42 HIS N N 42 120.045 120.045 119.363 0.682 19433 3073 1 7 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.186 0.246 19433 3074 1 7 . 1 1 42 42 HIS CA C 42 55.004 55.004 57.802 -2.798 19433 3075 1 7 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.066 -4.621 19433 3076 1 7 . 1 1 42 42 HIS H H 42 7.882 7.882 8.867 -0.985 19433 3077 1 7 . 1 1 43 43 ASP N N 43 119.308 119.308 118.851 0.457 19433 3078 1 7 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.663 0.374 19433 3079 1 7 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.927 -4.849 19433 3080 1 7 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.272 -1.563 19433 3081 1 7 . 1 1 43 43 ASP H H 43 7.906 7.906 7.766 0.140 19433 3082 1 7 . 1 1 44 44 SER N N 44 111.544 111.544 114.075 -2.531 19433 3083 1 7 . 1 1 44 44 SER HA H 44 5.617 5.617 5.389 0.228 19433 3084 1 7 . 1 1 44 44 SER CA C 44 53.597 53.597 57.032 -3.435 19433 3085 1 7 . 1 1 44 44 SER CB C 44 65.207 65.207 66.800 -1.593 19433 3086 1 7 . 1 1 44 44 SER H H 44 8.396 8.396 8.390 0.005 19433 3087 1 7 . 1 1 45 45 ILE N N 45 119.898 119.898 120.723 -0.825 19433 3088 1 7 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.653 -0.143 19433 3089 1 7 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.283 -3.243 19433 3090 1 7 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.193 -2.947 19433 3091 1 7 . 1 1 45 45 ILE H H 45 8.726 8.726 8.919 -0.193 19433 3092 1 7 . 1 1 46 46 ASP N N 46 123.866 123.866 125.941 -2.075 19433 3093 1 7 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.448 0.073 19433 3094 1 7 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.540 -3.167 19433 3095 1 7 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.432 -2.620 19433 3096 1 7 . 1 1 46 46 ASP H H 46 7.891 7.891 8.254 -0.363 19433 3097 1 7 . 1 1 47 47 PHE N N 47 116.649 116.649 118.656 -2.007 19433 3098 1 7 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.853 -0.080 19433 3099 1 7 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.068 -2.980 19433 3100 1 7 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.401 -3.661 19433 3101 1 7 . 1 1 47 47 PHE H H 47 8.654 8.654 8.223 0.431 19433 3102 1 7 . 1 1 48 48 SER N N 48 114.033 114.033 119.043 -5.010 19433 3103 1 7 . 1 1 48 48 SER HA H 48 4.729 4.729 4.534 0.195 19433 3104 1 7 . 1 1 48 48 SER CA C 48 49.403 49.403 59.039 -9.636 19433 3105 1 7 . 1 1 48 48 SER CB C 48 61.957 61.957 63.713 -1.756 19433 3106 1 7 . 1 1 48 48 SER H H 48 8.667 8.667 8.701 -0.034 19433 3107 1 7 . 1 1 49 49 SER N N 49 119.169 119.169 120.961 -1.792 19433 3108 1 7 . 1 1 49 49 SER HA H 49 4.357 4.357 4.500 -0.143 19433 3109 1 7 . 1 1 49 49 SER CA C 49 55.003 55.003 57.347 -2.345 19433 3110 1 7 . 1 1 49 49 SER CB C 49 61.708 61.708 65.962 -4.254 19433 3111 1 7 . 1 1 49 49 SER H H 49 8.644 8.644 8.374 0.270 19433 3112 1 7 . 1 1 50 50 ASP N N 50 120.389 120.389 124.913 -4.524 19433 3113 1 7 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.710 -0.265 19433 3114 1 7 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.310 -1.878 19433 3115 1 7 . 1 1 50 50 ASP CB C 50 38.122 38.122 39.413 -1.291 19433 3116 1 7 . 1 1 50 50 ASP H H 50 8.743 8.743 9.217 -0.474 19433 3117 1 7 . 1 1 51 51 ALA N N 51 120.149 120.149 123.483 -3.334 19433 3118 1 7 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.675 -0.049 19433 3119 1 7 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.929 -3.227 19433 3120 1 7 . 1 1 51 51 ALA CB C 51 19.196 19.196 22.611 -3.415 19433 3121 1 7 . 1 1 51 51 ALA H H 51 8.178 8.178 7.950 0.228 19433 3122 1 7 . 1 1 52 52 GLY N N 52 106.575 106.575 108.911 -2.336 19433 3123 1 7 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.630 -2.763 19433 3124 1 7 . 1 1 52 52 GLY H H 52 8.465 8.465 8.829 -0.364 19433 3125 1 7 . 1 1 53 53 SER N N 53 111.247 111.247 113.140 -1.893 19433 3126 1 7 . 1 1 53 53 SER HA H 53 4.371 4.371 4.598 -0.227 19433 3127 1 7 . 1 1 53 53 SER CA C 53 55.270 55.270 56.767 -1.497 19433 3128 1 7 . 1 1 53 53 SER CB C 53 61.515 61.515 65.519 -4.004 19433 3129 1 7 . 1 1 53 53 SER H H 53 7.606 7.606 7.493 0.113 19433 3130 1 7 . 1 1 54 54 VAL N N 54 124.481 124.481 120.856 3.625 19433 3131 1 7 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.032 0.274 19433 3132 1 7 . 1 1 54 54 VAL CA C 54 59.775 59.775 60.394 -0.619 19433 3133 1 7 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.443 -5.750 19433 3134 1 7 . 1 1 54 54 VAL H H 54 8.587 8.587 8.000 0.587 19433 3135 1 7 . 1 1 55 55 TYR N N 55 122.616 122.616 115.970 6.646 19433 3136 1 7 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.125 0.056 19433 3137 1 7 . 1 1 55 55 TYR CA C 55 53.682 53.682 56.251 -2.569 19433 3138 1 7 . 1 1 55 55 TYR CB C 55 36.877 36.877 40.192 -3.315 19433 3139 1 7 . 1 1 55 55 TYR H H 55 8.586 8.586 8.449 0.137 19433 3140 1 7 . 1 1 56 56 LYS N N 56 121.197 121.197 119.736 1.461 19433 3141 1 7 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.022 -0.266 19433 3142 1 7 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.078 -1.672 19433 3143 1 7 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.619 -4.146 19433 3144 1 7 . 1 1 56 56 LYS H H 56 7.276 7.276 7.552 -0.276 19433 3145 1 7 . 1 1 57 57 MET N N 57 122.040 122.040 122.625 -0.585 19433 3146 1 7 . 1 1 57 57 MET HA H 57 5.440 5.440 5.475 -0.035 19433 3147 1 7 . 1 1 57 57 MET CA C 57 52.893 52.893 55.265 -2.372 19433 3148 1 7 . 1 1 57 57 MET CB C 57 35.646 35.646 37.704 -2.058 19433 3149 1 7 . 1 1 57 57 MET H H 57 8.637 8.637 8.873 -0.236 19433 3150 1 7 . 1 1 58 58 ASP N N 58 125.086 125.086 127.544 -2.458 19433 3151 1 7 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.583 0.157 19433 3152 1 7 . 1 1 58 58 ASP CA C 58 50.784 50.784 52.468 -1.684 19433 3153 1 7 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.654 -1.315 19433 3154 1 7 . 1 1 58 58 ASP H H 58 9.367 9.367 8.916 0.451 19433 3155 1 7 . 1 1 59 59 VAL N N 59 120.817 120.817 125.158 -4.341 19433 3156 1 7 . 1 1 59 59 VAL HA H 59 5.058 5.058 5.107 -0.049 19433 3157 1 7 . 1 1 59 59 VAL CA C 59 58.103 58.103 60.451 -2.348 19433 3158 1 7 . 1 1 59 59 VAL CB C 59 33.782 33.782 34.684 -0.902 19433 3159 1 7 . 1 1 59 59 VAL H H 59 8.890 8.890 8.986 -0.096 19433 3160 1 7 . 1 1 60 60 THR N N 60 120.028 120.028 119.972 0.056 19433 3161 1 7 . 1 1 60 60 THR HA H 60 5.125 5.125 4.922 0.203 19433 3162 1 7 . 1 1 60 60 THR CA C 60 56.923 56.923 60.669 -3.746 19433 3163 1 7 . 1 1 60 60 THR CB C 60 68.946 68.946 70.136 -1.190 19433 3164 1 7 . 1 1 60 60 THR H H 60 8.578 8.578 9.003 -0.425 19433 3165 1 7 . 1 1 61 61 GLY N N 61 108.812 108.812 113.727 -4.915 19433 3166 1 7 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.517 -0.324 19433 3167 1 7 . 1 1 61 61 GLY H H 61 7.330 7.330 7.573 -0.243 19433 3168 1 7 . 1 1 62 62 THR N N 62 111.342 111.342 114.237 -2.895 19433 3169 1 7 . 1 1 62 62 THR HA H 62 5.333 5.333 5.287 0.046 19433 3170 1 7 . 1 1 62 62 THR CA C 62 57.514 57.514 61.033 -3.519 19433 3171 1 7 . 1 1 62 62 THR CB C 62 69.348 69.348 72.438 -3.090 19433 3172 1 7 . 1 1 62 62 THR H H 62 8.013 8.013 7.908 0.105 19433 3173 1 7 . 1 1 63 63 THR N N 63 115.003 115.003 115.510 -0.507 19433 3174 1 7 . 1 1 63 63 THR HA H 63 4.751 4.751 4.618 0.133 19433 3175 1 7 . 1 1 63 63 THR CA C 63 58.700 58.700 60.192 -1.492 19433 3176 1 7 . 1 1 63 63 THR CB C 63 68.654 68.654 69.834 -1.180 19433 3177 1 7 . 1 1 63 63 THR H H 63 9.432 9.432 8.740 0.692 19433 3178 1 7 . 1 1 64 64 GLN N N 64 120.671 120.671 121.956 -1.285 19433 3179 1 7 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.004 -0.162 19433 3180 1 7 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.485 -3.213 19433 3181 1 7 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.536 -2.450 19433 3182 1 7 . 1 1 64 64 GLN H H 64 8.037 8.037 8.615 -0.578 19433 3183 1 7 . 1 1 65 65 SER N N 65 110.096 110.096 112.861 -2.765 19433 3184 1 7 . 1 1 65 65 SER HA H 65 4.351 4.351 4.269 0.082 19433 3185 1 7 . 1 1 65 65 SER CA C 65 55.577 55.577 59.444 -3.867 19433 3186 1 7 . 1 1 65 65 SER CB C 65 60.350 60.350 63.306 -2.956 19433 3187 1 7 . 1 1 65 65 SER H H 65 7.670 7.670 8.401 -0.731 19433 3188 1 7 . 1 1 66 66 GLY N N 66 109.466 109.466 108.884 0.582 19433 3189 1 7 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.098 -2.448 19433 3190 1 7 . 1 1 66 66 GLY H H 66 7.810 7.810 7.569 0.241 19433 3191 1 7 . 1 1 67 67 GLU N N 67 121.149 121.149 119.603 1.546 19433 3192 1 7 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.429 -0.126 19433 3193 1 7 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.760 -1.841 19433 3194 1 7 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.217 -4.187 19433 3195 1 7 . 1 1 67 67 GLU H H 67 7.518 7.518 7.989 -0.471 19433 3196 1 7 . 1 1 68 68 LYS N N 68 124.553 124.553 122.458 2.095 19433 3197 1 7 . 1 1 68 68 LYS HA H 68 4.886 4.886 5.001 -0.115 19433 3198 1 7 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.012 -2.010 19433 3199 1 7 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.296 -2.797 19433 3200 1 7 . 1 1 68 68 LYS H H 68 8.631 8.631 8.335 0.296 19433 3201 1 7 . 1 1 69 69 PHE N N 69 119.363 119.363 122.753 -3.390 19433 3202 1 7 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.042 0.120 19433 3203 1 7 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.706 -3.096 19433 3204 1 7 . 1 1 69 69 PHE CB C 69 39.531 39.531 42.055 -2.524 19433 3205 1 7 . 1 1 69 69 PHE H H 69 8.180 8.180 8.531 -0.351 19433 3206 1 7 . 1 1 70 70 THR N N 70 113.468 113.468 110.656 2.812 19433 3207 1 7 . 1 1 70 70 THR HA H 70 5.331 5.331 4.792 0.539 19433 3208 1 7 . 1 1 70 70 THR CA C 70 57.694 57.694 60.286 -2.592 19433 3209 1 7 . 1 1 70 70 THR CB C 70 69.969 69.969 72.287 -2.318 19433 3210 1 7 . 1 1 70 70 THR H H 70 8.623 8.623 8.321 0.302 19433 3211 1 7 . 1 1 71 71 GLY N N 71 110.469 110.469 108.347 2.122 19433 3212 1 7 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.871 -2.113 19433 3213 1 7 . 1 1 71 71 GLY H H 71 8.955 8.955 8.069 0.886 19433 3214 1 7 . 1 1 72 72 HIS N N 72 121.565 121.565 123.334 -1.769 19433 3215 1 7 . 1 1 72 72 HIS HA H 72 5.286 5.286 5.164 0.122 19433 3216 1 7 . 1 1 72 72 HIS CA C 72 51.920 51.920 53.695 -1.775 19433 3217 1 7 . 1 1 72 72 HIS CB C 72 28.409 28.409 29.420 -1.011 19433 3218 1 7 . 1 1 72 72 HIS H H 72 8.162 8.162 7.732 0.430 19433 3219 1 7 . 1 1 73 73 PHE N N 73 122.114 122.114 124.794 -2.680 19433 3220 1 7 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.983 0.011 19433 3221 1 7 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.713 -2.711 19433 3222 1 7 . 1 1 73 73 PHE CB C 73 40.278 40.278 43.219 -2.941 19433 3223 1 7 . 1 1 73 73 PHE H H 73 9.117 9.117 9.213 -0.096 19433 3224 1 7 . 1 1 74 74 LYS N N 74 122.834 122.834 119.532 3.302 19433 3225 1 7 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.747 0.129 19433 3226 1 7 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.508 -2.708 19433 3227 1 7 . 1 1 74 74 LYS CB C 74 32.741 32.741 35.925 -3.184 19433 3228 1 7 . 1 1 74 74 LYS H H 74 8.889 8.889 8.500 0.389 19433 3229 1 7 . 1 1 75 75 GLY N N 75 109.821 109.821 111.157 -1.336 19433 3230 1 7 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.837 -1.602 19433 3231 1 7 . 1 1 75 75 GLY H H 75 8.418 8.418 8.399 0.019 19433 3232 1 7 . 1 1 76 76 LEU N N 76 119.557 119.557 121.426 -1.869 19433 3233 1 7 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.444 -0.104 19433 3234 1 7 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.421 -2.047 19433 3235 1 7 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.551 -2.892 19433 3236 1 7 . 1 1 76 76 LEU H H 76 7.893 7.893 7.836 0.057 19433 3237 1 7 . 1 1 77 77 VAL N N 77 118.411 118.411 118.085 0.326 19433 3238 1 7 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.034 0.359 19433 3239 1 7 . 1 1 77 77 VAL CA C 77 58.445 58.445 62.511 -4.066 19433 3240 1 7 . 1 1 77 77 VAL CB C 77 32.212 32.212 32.089 0.123 19433 3241 1 7 . 1 1 77 77 VAL H H 77 8.583 8.583 8.388 0.195 19433 3242 1 7 . 1 1 78 78 GLY N N 78 111.284 111.284 109.050 2.234 19433 3243 1 7 . 1 1 78 78 GLY CA C 78 41.998 41.998 47.170 -5.172 19433 3244 1 7 . 1 1 78 78 GLY H H 78 8.218 8.218 8.723 -0.505 19433 3245 1 7 . 1 1 79 79 LYS N N 79 120.895 120.895 120.338 0.557 19433 3246 1 7 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.396 -0.119 19433 3247 1 7 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.090 -1.639 19433 3248 1 7 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.603 -2.326 19433 3249 1 7 . 1 1 79 79 LYS H H 79 8.347 8.347 8.272 0.075 19433 3250 1 7 . 1 1 80 80 ASP N N 80 119.681 119.681 116.920 2.761 19433 3251 1 7 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.145 -0.338 19433 3252 1 7 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.345 -1.111 19433 3253 1 7 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.124 -5.100 19433 3254 1 7 . 1 1 80 80 ASP H H 80 7.993 7.993 7.679 0.314 19433 3255 1 7 . 1 1 81 81 THR N N 81 118.659 118.659 114.028 4.631 19433 3256 1 7 . 1 1 81 81 THR HA H 81 4.076 4.076 4.605 -0.529 19433 3257 1 7 . 1 1 81 81 THR CA C 81 60.371 60.371 61.050 -0.679 19433 3258 1 7 . 1 1 81 81 THR CB C 81 67.694 67.694 72.354 -4.660 19433 3259 1 7 . 1 1 81 81 THR H H 81 8.002 8.002 8.553 -0.551 19433 3260 1 7 . 1 1 82 82 ARG N N 82 127.944 127.944 121.681 6.263 19433 3261 1 7 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.257 -0.660 19433 3262 1 7 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.596 -2.425 19433 3263 1 7 . 1 1 82 82 ARG CB C 82 29.608 29.608 34.075 -4.467 19433 3264 1 7 . 1 1 82 82 ARG H H 82 8.183 8.183 8.319 -0.136 19433 3265 1 7 . 1 1 83 83 VAL N N 83 121.617 121.617 119.246 2.371 19433 3266 1 7 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.158 -0.094 19433 3267 1 7 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.936 -4.261 19433 3268 1 7 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.856 -4.541 19433 3269 1 7 . 1 1 83 83 VAL H H 83 8.639 8.639 8.428 0.211 19433 3270 1 7 . 1 1 84 84 PHE N N 84 124.702 124.702 126.923 -2.221 19433 3271 1 7 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.758 0.209 19433 3272 1 7 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.611 -0.812 19433 3273 1 7 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.416 0.272 19433 3274 1 7 . 1 1 84 84 PHE H H 84 9.198 9.198 8.879 0.319 19433 3275 1 7 . 1 1 85 85 ILE N N 85 123.027 123.027 125.296 -2.269 19433 3276 1 7 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.037 0.410 19433 3277 1 7 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.587 -4.673 19433 3278 1 7 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.012 -1.142 19433 3279 1 7 . 1 1 85 85 ILE H H 85 8.650 8.650 8.303 0.347 19433 3280 1 7 . 1 1 86 86 GLU N N 86 124.137 124.137 124.070 0.067 19433 3281 1 7 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.868 -0.293 19433 3282 1 7 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.481 -2.950 19433 3283 1 7 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.785 -1.258 19433 3284 1 7 . 1 1 86 86 GLU H H 86 8.754 8.754 7.859 0.895 19433 3285 1 7 . 1 1 87 87 LEU N N 87 120.087 120.087 118.918 1.169 19433 3286 1 7 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.215 -0.354 19433 3287 1 7 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.423 -2.293 19433 3288 1 7 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.237 -2.977 19433 3289 1 7 . 1 1 87 87 LEU H H 87 8.394 8.394 8.386 0.008 19433 3290 1 7 . 1 1 88 88 ASP N N 88 123.072 123.072 118.611 4.461 19433 3291 1 7 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.828 -0.169 19433 3292 1 7 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.942 -3.723 19433 3293 1 7 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.834 -4.727 19433 3294 1 7 . 1 1 88 88 ASP H H 88 8.770 8.770 8.186 0.584 19433 3295 1 7 . 1 1 89 89 GLU N N 89 117.437 117.437 117.490 -0.053 19433 3296 1 7 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.037 0.039 19433 3297 1 7 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.631 -3.643 19433 3298 1 7 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.759 -2.597 19433 3299 1 7 . 1 1 89 89 GLU H H 89 9.033 9.033 8.769 0.264 19433 3300 1 7 . 1 1 90 90 ASN N N 90 118.824 118.824 118.152 0.672 19433 3301 1 7 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.853 -0.067 19433 3302 1 7 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.907 -2.736 19433 3303 1 7 . 1 1 90 90 ASN CB C 90 36.696 36.696 40.179 -3.483 19433 3304 1 7 . 1 1 90 90 ASN H H 90 8.351 8.351 8.269 0.082 19433 3305 1 7 . 1 1 91 91 ALA N N 91 118.167 118.167 122.639 -4.472 19433 3306 1 7 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.816 -0.064 19433 3307 1 7 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.373 -2.118 19433 3308 1 7 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.935 -4.017 19433 3309 1 7 . 1 1 91 91 ALA H H 91 8.284 8.284 7.802 0.482 19433 3310 1 7 . 1 1 92 92 ASP N N 92 118.574 118.574 119.233 -0.659 19433 3311 1 7 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.886 0.046 19433 3312 1 7 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.459 -3.643 19433 3313 1 7 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.518 -3.348 19433 3314 1 7 . 1 1 92 92 ASP H H 92 8.215 8.215 8.260 -0.045 19433 3315 1 7 . 1 1 93 93 VAL N N 93 121.604 121.604 121.325 0.279 19433 3316 1 7 . 1 1 93 93 VAL HA H 93 4.069 4.069 3.918 0.151 19433 3317 1 7 . 1 1 93 93 VAL CA C 93 60.454 60.454 64.029 -3.575 19433 3318 1 7 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.611 -2.623 19433 3319 1 7 . 1 1 93 93 VAL H H 93 8.440 8.440 8.459 -0.019 19433 3320 1 7 . 1 1 94 94 GLN N N 94 125.344 125.344 124.285 1.059 19433 3321 1 7 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.791 -0.030 19433 3322 1 7 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.961 -3.647 19433 3323 1 7 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.352 -1.952 19433 3324 1 7 . 1 1 94 94 GLN H H 94 8.958 8.958 7.954 1.004 19433 3325 1 7 . 1 1 95 95 VAL N N 95 119.370 119.370 118.337 1.033 19433 3326 1 7 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.989 0.072 19433 3327 1 7 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.720 -4.440 19433 3328 1 7 . 1 1 95 95 VAL CB C 95 30.926 30.926 35.314 -4.388 19433 3329 1 7 . 1 1 95 95 VAL H H 95 8.420 8.420 8.424 -0.004 19433 3330 1 7 . 1 1 96 96 PHE N N 96 126.219 126.219 125.870 0.349 19433 3331 1 7 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.079 -0.047 19433 3332 1 7 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.547 -2.657 19433 3333 1 7 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.267 -3.764 19433 3334 1 7 . 1 1 96 96 PHE H H 96 9.314 9.314 9.229 0.085 19433 3335 1 7 . 1 1 97 97 ILE N N 97 123.424 123.424 117.845 5.579 19433 3336 1 7 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.152 0.662 19433 3337 1 7 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.441 -2.375 19433 3338 1 7 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.209 -2.932 19433 3339 1 7 . 1 1 97 97 ILE H H 97 7.613 7.613 7.914 -0.301 19433 3340 1 7 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.517 -0.247 19433 3341 1 7 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.916 -2.918 19433 3342 1 7 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.408 -1.751 19433 3343 1 7 . 1 1 99 99 GLN N N 99 121.028 121.028 123.587 -2.559 19433 3344 1 7 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.559 -0.104 19433 3345 1 7 . 1 1 99 99 GLN CA C 99 52.620 52.620 55.162 -2.542 19433 3346 1 7 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.611 -3.168 19433 3347 1 7 . 1 1 99 99 GLN H H 99 8.507 8.507 8.473 0.034 19433 3348 1 7 . 1 1 100 100 GLY N N 100 110.029 110.029 109.009 1.020 19433 3349 1 7 . 1 1 100 100 GLY CA C 100 42.628 42.628 46.031 -3.403 19433 3350 1 7 . 1 1 100 100 GLY H H 100 8.356 8.356 8.454 -0.098 19433 3351 1 7 . 1 1 101 101 GLU N N 101 120.385 120.385 124.926 -4.541 19433 3352 1 7 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.569 -0.278 19433 3353 1 7 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.065 -2.314 19433 3354 1 7 . 1 1 101 101 GLU CB C 101 27.830 27.830 27.393 0.437 19433 3355 1 7 . 1 1 101 101 GLU H H 101 8.378 8.378 8.750 -0.372 19433 3356 1 7 . 1 1 102 102 ILE N N 102 120.838 120.838 120.267 0.571 19433 3357 1 7 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.380 -0.214 19433 3358 1 7 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.373 -2.005 19433 3359 1 7 . 1 1 102 102 ILE CB C 102 36.713 36.713 37.028 -0.315 19433 3360 1 7 . 1 1 102 102 ILE H H 102 8.168 8.168 8.020 0.148 19433 3361 1 8 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.590 -0.359 19433 3362 1 8 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.735 -1.202 19433 3363 1 8 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.316 -3.672 19433 3364 1 8 . 1 1 3 3 GLN N N 3 118.180 118.180 121.521 -3.341 19433 3365 1 8 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.283 -0.015 19433 3366 1 8 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.363 -2.924 19433 3367 1 8 . 1 1 3 3 GLN H H 3 8.579 8.579 8.611 -0.032 19433 3368 1 8 . 1 1 4 4 ASP N N 4 120.328 120.328 118.608 1.720 19433 3369 1 8 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.766 -0.269 19433 3370 1 8 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.169 -2.404 19433 3371 1 8 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.716 -2.194 19433 3372 1 8 . 1 1 4 4 ASP H H 4 8.061 8.061 8.404 -0.343 19433 3373 1 8 . 1 1 5 5 GLY N N 5 109.114 109.114 108.542 0.572 19433 3374 1 8 . 1 1 5 5 GLY CA C 5 43.030 43.030 44.403 -1.373 19433 3375 1 8 . 1 1 5 5 GLY H H 5 8.322 8.322 7.901 0.421 19433 3376 1 8 . 1 1 6 6 LYS N N 6 120.397 120.397 119.666 0.731 19433 3377 1 8 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.202 0.095 19433 3378 1 8 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.505 -3.186 19433 3379 1 8 . 1 1 6 6 LYS CB C 6 30.441 30.441 30.325 0.116 19433 3380 1 8 . 1 1 6 6 LYS H H 6 8.030 8.030 8.569 -0.539 19433 3381 1 8 . 1 1 7 7 GLU N N 7 122.113 122.113 118.750 3.363 19433 3382 1 8 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.531 -0.236 19433 3383 1 8 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.112 -2.825 19433 3384 1 8 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.737 -2.980 19433 3385 1 8 . 1 1 7 7 GLU H H 7 8.464 8.464 8.308 0.156 19433 3386 1 8 . 1 1 8 8 THR N N 8 114.459 114.459 110.869 3.590 19433 3387 1 8 . 1 1 8 8 THR HA H 8 4.543 4.543 4.700 -0.157 19433 3388 1 8 . 1 1 8 8 THR CA C 8 57.966 57.966 60.029 -2.063 19433 3389 1 8 . 1 1 8 8 THR CB C 8 68.123 68.123 71.417 -3.294 19433 3390 1 8 . 1 1 8 8 THR H H 8 7.984 7.984 7.521 0.463 19433 3391 1 8 . 1 1 9 9 THR N N 9 116.229 116.229 116.089 0.140 19433 3392 1 8 . 1 1 9 9 THR HA H 9 4.584 4.584 4.401 0.183 19433 3393 1 8 . 1 1 9 9 THR CA C 9 58.575 58.575 61.560 -2.985 19433 3394 1 8 . 1 1 9 9 THR CB C 9 67.866 67.866 69.798 -1.932 19433 3395 1 8 . 1 1 9 9 THR H H 9 8.140 8.140 8.001 0.139 19433 3396 1 8 . 1 1 10 10 THR N N 10 118.509 118.509 116.744 1.765 19433 3397 1 8 . 1 1 10 10 THR HA H 10 4.563 4.563 4.546 0.017 19433 3398 1 8 . 1 1 10 10 THR CA C 10 59.364 59.364 61.529 -2.165 19433 3399 1 8 . 1 1 10 10 THR CB C 10 68.411 68.411 71.166 -2.755 19433 3400 1 8 . 1 1 10 10 THR H H 10 8.544 8.544 8.565 -0.021 19433 3401 1 8 . 1 1 11 11 ILE N N 11 126.772 126.772 120.618 6.154 19433 3402 1 8 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.672 -0.647 19433 3403 1 8 . 1 1 11 11 ILE CA C 11 57.323 57.323 58.764 -1.441 19433 3404 1 8 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.562 -5.223 19433 3405 1 8 . 1 1 11 11 ILE H H 11 8.595 8.595 8.576 0.019 19433 3406 1 8 . 1 1 12 12 ARG N N 12 125.922 125.922 122.305 3.617 19433 3407 1 8 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.954 0.039 19433 3408 1 8 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.409 -3.519 19433 3409 1 8 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.606 -3.642 19433 3410 1 8 . 1 1 12 12 ARG H H 12 8.031 8.031 7.972 0.059 19433 3411 1 8 . 1 1 13 13 LEU N N 13 126.771 126.771 123.761 3.010 19433 3412 1 8 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.755 0.188 19433 3413 1 8 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.944 -3.318 19433 3414 1 8 . 1 1 13 13 LEU CB C 13 42.033 42.033 45.331 -3.298 19433 3415 1 8 . 1 1 13 13 LEU H H 13 8.828 8.828 9.123 -0.295 19433 3416 1 8 . 1 1 14 14 ILE N N 14 123.438 123.438 121.476 1.962 19433 3417 1 8 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.554 -0.377 19433 3418 1 8 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.450 -1.936 19433 3419 1 8 . 1 1 14 14 ILE CB C 14 38.667 38.667 39.917 -1.250 19433 3420 1 8 . 1 1 14 14 ILE H H 14 8.847 8.847 8.303 0.544 19433 3421 1 8 . 1 1 15 15 ASN N N 15 123.130 123.130 125.793 -2.663 19433 3422 1 8 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.637 0.243 19433 3423 1 8 . 1 1 15 15 ASN CA C 15 48.668 48.668 52.299 -3.631 19433 3424 1 8 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.241 -3.420 19433 3425 1 8 . 1 1 15 15 ASN H H 15 8.446 8.446 8.575 -0.129 19433 3426 1 8 . 1 1 16 16 GLN N N 16 125.061 125.061 123.321 1.740 19433 3427 1 8 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.641 0.890 19433 3428 1 8 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.524 -2.364 19433 3429 1 8 . 1 1 16 16 GLN CB C 16 26.904 26.904 27.309 -0.405 19433 3430 1 8 . 1 1 16 16 GLN H H 16 9.063 9.063 7.929 1.134 19433 3431 1 8 . 1 1 17 17 THR N N 17 110.936 110.936 111.247 -0.311 19433 3432 1 8 . 1 1 17 17 THR HA H 17 4.415 4.415 4.342 0.073 19433 3433 1 8 . 1 1 17 17 THR CA C 17 58.240 58.240 59.742 -1.502 19433 3434 1 8 . 1 1 17 17 THR CB C 17 67.913 67.913 70.725 -2.812 19433 3435 1 8 . 1 1 17 17 THR H H 17 7.765 7.765 7.397 0.368 19433 3436 1 8 . 1 1 18 18 TYR N N 18 112.380 112.380 117.781 -5.401 19433 3437 1 8 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.697 -0.342 19433 3438 1 8 . 1 1 18 18 TYR CA C 18 54.029 54.029 53.701 0.328 19433 3439 1 8 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.377 -2.810 19433 3440 1 8 . 1 1 18 18 TYR H H 18 6.950 6.950 8.139 -1.189 19433 3441 1 8 . 1 1 19 19 PHE N N 19 119.710 119.710 115.175 4.535 19433 3442 1 8 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.854 0.142 19433 3443 1 8 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.458 -2.448 19433 3444 1 8 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.355 -1.884 19433 3445 1 8 . 1 1 19 19 PHE H H 19 8.014 8.014 6.710 1.304 19433 3446 1 8 . 1 1 20 20 ASN N N 20 117.921 117.921 118.620 -0.699 19433 3447 1 8 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.028 -0.339 19433 3448 1 8 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.479 -0.442 19433 3449 1 8 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.684 -4.378 19433 3450 1 8 . 1 1 20 20 ASN H H 20 8.724 8.724 8.570 0.154 19433 3451 1 8 . 1 1 21 21 VAL N N 21 115.311 115.311 115.599 -0.288 19433 3452 1 8 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.823 0.061 19433 3453 1 8 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.825 -2.325 19433 3454 1 8 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.459 -3.614 19433 3455 1 8 . 1 1 21 21 VAL H H 21 8.186 8.186 8.541 -0.355 19433 3456 1 8 . 1 1 22 22 LYS N N 22 119.772 119.772 120.840 -1.068 19433 3457 1 8 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.765 0.237 19433 3458 1 8 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.959 -4.426 19433 3459 1 8 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.536 0.729 19433 3460 1 8 . 1 1 22 22 LYS H H 22 9.331 9.331 8.514 0.817 19433 3461 1 8 . 1 1 23 23 ASN N N 23 116.781 116.781 115.221 1.560 19433 3462 1 8 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.769 -0.566 19433 3463 1 8 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.870 -1.937 19433 3464 1 8 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.944 -4.425 19433 3465 1 8 . 1 1 23 23 ASN H H 23 8.573 8.573 8.162 0.411 19433 3466 1 8 . 1 1 24 24 ILE N N 24 118.303 118.303 121.787 -3.484 19433 3467 1 8 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.386 0.358 19433 3468 1 8 . 1 1 24 24 ILE CA C 24 57.544 57.544 60.676 -3.132 19433 3469 1 8 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.397 -2.161 19433 3470 1 8 . 1 1 24 24 ILE H H 24 8.329 8.329 7.597 0.732 19433 3471 1 8 . 1 1 25 25 LYS N N 25 129.189 129.189 128.895 0.294 19433 3472 1 8 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.523 0.363 19433 3473 1 8 . 1 1 25 25 LYS CA C 25 52.761 52.761 56.783 -4.022 19433 3474 1 8 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.390 -1.743 19433 3475 1 8 . 1 1 25 25 LYS H H 25 9.102 9.102 8.043 1.059 19433 3476 1 8 . 1 1 26 26 VAL N N 26 129.283 129.283 126.822 2.461 19433 3477 1 8 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.566 0.400 19433 3478 1 8 . 1 1 26 26 VAL CA C 26 58.099 58.099 61.577 -3.478 19433 3479 1 8 . 1 1 26 26 VAL CB C 26 31.370 31.370 34.893 -3.523 19433 3480 1 8 . 1 1 26 26 VAL H H 26 9.057 9.057 9.143 -0.086 19433 3481 1 8 . 1 1 27 27 THR N N 27 120.185 120.185 121.988 -1.803 19433 3482 1 8 . 1 1 27 27 THR HA H 27 5.542 5.542 5.113 0.429 19433 3483 1 8 . 1 1 27 27 THR CA C 27 56.977 56.977 62.009 -5.032 19433 3484 1 8 . 1 1 27 27 THR CB C 27 68.220 68.220 71.247 -3.027 19433 3485 1 8 . 1 1 27 27 THR H H 27 9.177 9.177 8.524 0.653 19433 3486 1 8 . 1 1 28 28 TRP N N 28 123.046 123.046 124.919 -1.873 19433 3487 1 8 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.441 -0.051 19433 3488 1 8 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.417 -1.800 19433 3489 1 8 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.307 -1.345 19433 3490 1 8 . 1 1 28 28 TRP H H 28 8.787 8.787 7.894 0.893 19433 3491 1 8 . 1 1 29 29 ASN N N 29 116.792 116.792 117.834 -1.042 19433 3492 1 8 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.756 -1.340 19433 3493 1 8 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.875 -1.610 19433 3494 1 8 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.702 -7.523 19433 3495 1 8 . 1 1 29 29 ASN H H 29 8.193 8.193 7.566 0.627 19433 3496 1 8 . 1 1 30 30 ASP N N 30 118.710 118.710 121.153 -2.443 19433 3497 1 8 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.556 -0.039 19433 3498 1 8 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.419 -3.958 19433 3499 1 8 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.196 -2.698 19433 3500 1 8 . 1 1 30 30 ASP H H 30 8.937 8.937 8.562 0.375 19433 3501 1 8 . 1 1 31 31 GLY N N 31 106.542 106.542 109.840 -3.298 19433 3502 1 8 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.830 -1.363 19433 3503 1 8 . 1 1 31 31 GLY H H 31 7.594 7.594 7.956 -0.362 19433 3504 1 8 . 1 1 32 32 LYS N N 32 121.904 121.904 123.493 -1.589 19433 3505 1 8 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.183 -0.294 19433 3506 1 8 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.454 -2.629 19433 3507 1 8 . 1 1 32 32 LYS CB C 32 28.130 28.130 32.285 -4.155 19433 3508 1 8 . 1 1 32 32 LYS H H 32 7.510 7.510 7.985 -0.475 19433 3509 1 8 . 1 1 33 33 GLU N N 33 119.124 119.124 123.152 -4.028 19433 3510 1 8 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.773 0.507 19433 3511 1 8 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.704 -2.373 19433 3512 1 8 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.408 -1.699 19433 3513 1 8 . 1 1 33 33 GLU H H 33 7.843 7.843 8.249 -0.406 19433 3514 1 8 . 1 1 34 34 GLN N N 34 123.230 123.230 117.805 5.425 19433 3515 1 8 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.860 -0.437 19433 3516 1 8 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.848 -2.551 19433 3517 1 8 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.769 -2.526 19433 3518 1 8 . 1 1 34 34 GLN H H 34 9.114 9.114 9.063 0.051 19433 3519 1 8 . 1 1 35 35 THR N N 35 119.194 119.194 110.871 8.323 19433 3520 1 8 . 1 1 35 35 THR HA H 35 5.241 5.241 5.292 -0.051 19433 3521 1 8 . 1 1 35 35 THR CA C 35 58.075 58.075 59.575 -1.500 19433 3522 1 8 . 1 1 35 35 THR CB C 35 67.936 67.936 71.995 -4.059 19433 3523 1 8 . 1 1 35 35 THR H H 35 8.397 8.397 8.154 0.243 19433 3524 1 8 . 1 1 36 36 VAL N N 36 126.317 126.317 123.110 3.207 19433 3525 1 8 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.115 0.051 19433 3526 1 8 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.513 -3.217 19433 3527 1 8 . 1 1 36 36 VAL CB C 36 31.785 31.785 33.374 -1.589 19433 3528 1 8 . 1 1 36 36 VAL H H 36 8.976 8.976 8.412 0.564 19433 3529 1 8 . 1 1 37 37 ASN N N 37 126.536 126.536 126.509 0.027 19433 3530 1 8 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.471 -0.110 19433 3531 1 8 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.831 -0.737 19433 3532 1 8 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.565 -2.811 19433 3533 1 8 . 1 1 37 37 ASN H H 37 8.974 8.974 8.910 0.064 19433 3534 1 8 . 1 1 38 38 THR N N 38 112.460 112.460 112.031 0.429 19433 3535 1 8 . 1 1 38 38 THR HA H 38 4.850 4.850 4.765 0.085 19433 3536 1 8 . 1 1 38 38 THR CA C 38 58.536 58.536 62.177 -3.641 19433 3537 1 8 . 1 1 38 38 THR CB C 38 69.085 69.085 71.574 -2.489 19433 3538 1 8 . 1 1 38 38 THR H H 38 7.762 7.762 7.632 0.130 19433 3539 1 8 . 1 1 39 39 LEU N N 39 126.316 126.316 127.413 -1.097 19433 3540 1 8 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.656 -0.113 19433 3541 1 8 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.844 -2.059 19433 3542 1 8 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.322 -2.981 19433 3543 1 8 . 1 1 39 39 LEU H H 39 8.572 8.572 9.273 -0.701 19433 3544 1 8 . 1 1 40 40 GLY N N 40 116.669 116.669 113.244 3.425 19433 3545 1 8 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.782 -2.517 19433 3546 1 8 . 1 1 40 40 GLY H H 40 9.303 9.303 8.435 0.868 19433 3547 1 8 . 1 1 41 41 SER N N 41 113.384 113.384 116.963 -3.579 19433 3548 1 8 . 1 1 41 41 SER HA H 41 3.612 3.612 4.224 -0.612 19433 3549 1 8 . 1 1 41 41 SER CA C 41 56.211 56.211 60.562 -4.351 19433 3550 1 8 . 1 1 41 41 SER CB C 41 60.482 60.482 62.918 -2.436 19433 3551 1 8 . 1 1 41 41 SER H H 41 7.883 7.883 8.407 -0.524 19433 3552 1 8 . 1 1 42 42 HIS N N 42 120.045 120.045 120.097 -0.052 19433 3553 1 8 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.278 0.154 19433 3554 1 8 . 1 1 42 42 HIS CA C 42 55.004 55.004 57.723 -2.719 19433 3555 1 8 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.285 -4.840 19433 3556 1 8 . 1 1 42 42 HIS H H 42 7.882 7.882 8.520 -0.638 19433 3557 1 8 . 1 1 43 43 ASP N N 43 119.308 119.308 120.740 -1.432 19433 3558 1 8 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.912 0.125 19433 3559 1 8 . 1 1 43 43 ASP CA C 43 50.078 50.078 53.836 -3.758 19433 3560 1 8 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.637 -1.928 19433 3561 1 8 . 1 1 43 43 ASP H H 43 7.906 7.906 8.047 -0.141 19433 3562 1 8 . 1 1 44 44 SER N N 44 111.544 111.544 114.441 -2.897 19433 3563 1 8 . 1 1 44 44 SER HA H 44 5.617 5.617 5.393 0.224 19433 3564 1 8 . 1 1 44 44 SER CA C 44 53.597 53.597 56.727 -3.130 19433 3565 1 8 . 1 1 44 44 SER CB C 44 65.207 65.207 66.948 -1.742 19433 3566 1 8 . 1 1 44 44 SER H H 44 8.396 8.396 8.380 0.016 19433 3567 1 8 . 1 1 45 45 ILE N N 45 119.898 119.898 121.348 -1.450 19433 3568 1 8 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.655 -0.145 19433 3569 1 8 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.197 -3.157 19433 3570 1 8 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.550 -3.304 19433 3571 1 8 . 1 1 45 45 ILE H H 45 8.726 8.726 8.991 -0.265 19433 3572 1 8 . 1 1 46 46 ASP N N 46 123.866 123.866 126.966 -3.100 19433 3573 1 8 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.493 0.028 19433 3574 1 8 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.502 -3.129 19433 3575 1 8 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.098 -1.286 19433 3576 1 8 . 1 1 46 46 ASP H H 46 7.891 7.891 8.354 -0.463 19433 3577 1 8 . 1 1 47 47 PHE N N 47 116.649 116.649 119.006 -2.357 19433 3578 1 8 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.957 -0.184 19433 3579 1 8 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.822 -2.734 19433 3580 1 8 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.861 -4.121 19433 3581 1 8 . 1 1 47 47 PHE H H 47 8.654 8.654 8.222 0.432 19433 3582 1 8 . 1 1 48 48 SER N N 48 114.033 114.033 116.597 -2.564 19433 3583 1 8 . 1 1 48 48 SER HA H 48 4.729 4.729 4.305 0.424 19433 3584 1 8 . 1 1 48 48 SER CA C 48 49.403 49.403 57.910 -8.507 19433 3585 1 8 . 1 1 48 48 SER CB C 48 61.957 61.957 64.166 -2.209 19433 3586 1 8 . 1 1 48 48 SER H H 48 8.667 8.667 8.412 0.255 19433 3587 1 8 . 1 1 49 49 SER N N 49 119.169 119.169 118.763 0.406 19433 3588 1 8 . 1 1 49 49 SER HA H 49 4.357 4.357 4.070 0.287 19433 3589 1 8 . 1 1 49 49 SER CA C 49 55.003 55.003 58.250 -3.247 19433 3590 1 8 . 1 1 49 49 SER CB C 49 61.708 61.708 63.770 -2.062 19433 3591 1 8 . 1 1 49 49 SER H H 49 8.644 8.644 7.988 0.656 19433 3592 1 8 . 1 1 50 50 ASP N N 50 120.389 120.389 120.927 -0.538 19433 3593 1 8 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.833 -0.388 19433 3594 1 8 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.432 -2.000 19433 3595 1 8 . 1 1 50 50 ASP CB C 50 38.122 38.122 41.042 -2.920 19433 3596 1 8 . 1 1 50 50 ASP H H 50 8.743 8.743 8.959 -0.216 19433 3597 1 8 . 1 1 51 51 ALA N N 51 120.149 120.149 122.061 -1.912 19433 3598 1 8 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.527 0.099 19433 3599 1 8 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.928 -3.225 19433 3600 1 8 . 1 1 51 51 ALA CB C 51 19.196 19.196 20.711 -1.515 19433 3601 1 8 . 1 1 51 51 ALA H H 51 8.178 8.178 7.807 0.371 19433 3602 1 8 . 1 1 52 52 GLY N N 52 106.575 106.575 107.478 -0.903 19433 3603 1 8 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.328 -3.461 19433 3604 1 8 . 1 1 52 52 GLY H H 52 8.465 8.465 8.760 -0.295 19433 3605 1 8 . 1 1 53 53 SER N N 53 111.247 111.247 111.168 0.079 19433 3606 1 8 . 1 1 53 53 SER HA H 53 4.371 4.371 4.481 -0.110 19433 3607 1 8 . 1 1 53 53 SER CA C 53 55.270 55.270 57.196 -1.926 19433 3608 1 8 . 1 1 53 53 SER CB C 53 61.515 61.515 65.072 -3.557 19433 3609 1 8 . 1 1 53 53 SER H H 53 7.606 7.606 7.346 0.260 19433 3610 1 8 . 1 1 54 54 VAL N N 54 124.481 124.481 120.595 3.886 19433 3611 1 8 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.036 0.270 19433 3612 1 8 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.519 -1.744 19433 3613 1 8 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.025 -5.332 19433 3614 1 8 . 1 1 54 54 VAL H H 54 8.587 8.587 8.402 0.185 19433 3615 1 8 . 1 1 55 55 TYR N N 55 122.616 122.616 119.183 3.433 19433 3616 1 8 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.115 0.066 19433 3617 1 8 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.283 -1.601 19433 3618 1 8 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.200 -2.323 19433 3619 1 8 . 1 1 55 55 TYR H H 55 8.586 8.586 8.303 0.283 19433 3620 1 8 . 1 1 56 56 LYS N N 56 121.197 121.197 118.704 2.493 19433 3621 1 8 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.954 -0.198 19433 3622 1 8 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.231 -1.825 19433 3623 1 8 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.542 -4.069 19433 3624 1 8 . 1 1 56 56 LYS H H 56 7.276 7.276 7.691 -0.415 19433 3625 1 8 . 1 1 57 57 MET N N 57 122.040 122.040 121.580 0.460 19433 3626 1 8 . 1 1 57 57 MET HA H 57 5.440 5.440 5.293 0.147 19433 3627 1 8 . 1 1 57 57 MET CA C 57 52.893 52.893 55.985 -3.092 19433 3628 1 8 . 1 1 57 57 MET CB C 57 35.646 35.646 37.233 -1.587 19433 3629 1 8 . 1 1 57 57 MET H H 57 8.637 8.637 8.875 -0.238 19433 3630 1 8 . 1 1 58 58 ASP N N 58 125.086 125.086 129.227 -4.141 19433 3631 1 8 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.102 0.638 19433 3632 1 8 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.815 -3.031 19433 3633 1 8 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.215 -0.875 19433 3634 1 8 . 1 1 58 58 ASP H H 58 9.367 9.367 9.149 0.218 19433 3635 1 8 . 1 1 59 59 VAL N N 59 120.817 120.817 123.720 -2.903 19433 3636 1 8 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.613 0.445 19433 3637 1 8 . 1 1 59 59 VAL CA C 59 58.103 58.103 61.296 -3.193 19433 3638 1 8 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.748 0.034 19433 3639 1 8 . 1 1 59 59 VAL H H 59 8.890 8.890 8.622 0.268 19433 3640 1 8 . 1 1 60 60 THR N N 60 120.028 120.028 120.048 -0.020 19433 3641 1 8 . 1 1 60 60 THR HA H 60 5.125 5.125 4.959 0.166 19433 3642 1 8 . 1 1 60 60 THR CA C 60 56.923 56.923 60.976 -4.053 19433 3643 1 8 . 1 1 60 60 THR CB C 60 68.946 68.946 69.537 -0.591 19433 3644 1 8 . 1 1 60 60 THR H H 60 8.578 8.578 8.145 0.433 19433 3645 1 8 . 1 1 61 61 GLY N N 61 108.812 108.812 114.041 -5.229 19433 3646 1 8 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.469 -0.275 19433 3647 1 8 . 1 1 61 61 GLY H H 61 7.330 7.330 7.846 -0.516 19433 3648 1 8 . 1 1 62 62 THR N N 62 111.342 111.342 114.690 -3.348 19433 3649 1 8 . 1 1 62 62 THR HA H 62 5.333 5.333 5.152 0.181 19433 3650 1 8 . 1 1 62 62 THR CA C 62 57.514 57.514 60.484 -2.970 19433 3651 1 8 . 1 1 62 62 THR CB C 62 69.348 69.348 71.958 -2.610 19433 3652 1 8 . 1 1 62 62 THR H H 62 8.013 8.013 7.793 0.220 19433 3653 1 8 . 1 1 63 63 THR N N 63 115.003 115.003 114.694 0.309 19433 3654 1 8 . 1 1 63 63 THR HA H 63 4.751 4.751 4.179 0.572 19433 3655 1 8 . 1 1 63 63 THR CA C 63 58.700 58.700 60.614 -1.914 19433 3656 1 8 . 1 1 63 63 THR CB C 63 68.654 68.654 70.199 -1.545 19433 3657 1 8 . 1 1 63 63 THR H H 63 9.432 9.432 8.502 0.930 19433 3658 1 8 . 1 1 64 64 GLN N N 64 120.671 120.671 120.430 0.241 19433 3659 1 8 . 1 1 64 64 GLN HA H 64 3.842 3.842 3.929 -0.087 19433 3660 1 8 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.287 -3.015 19433 3661 1 8 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.571 -2.485 19433 3662 1 8 . 1 1 64 64 GLN H H 64 8.037 8.037 8.435 -0.398 19433 3663 1 8 . 1 1 65 65 SER N N 65 110.096 110.096 112.841 -2.745 19433 3664 1 8 . 1 1 65 65 SER HA H 65 4.351 4.351 4.290 0.061 19433 3665 1 8 . 1 1 65 65 SER CA C 65 55.577 55.577 59.285 -3.708 19433 3666 1 8 . 1 1 65 65 SER CB C 65 60.350 60.350 63.533 -3.183 19433 3667 1 8 . 1 1 65 65 SER H H 65 7.670 7.670 7.726 -0.056 19433 3668 1 8 . 1 1 66 66 GLY N N 66 109.466 109.466 109.360 0.106 19433 3669 1 8 . 1 1 66 66 GLY CA C 66 42.650 42.650 44.670 -2.020 19433 3670 1 8 . 1 1 66 66 GLY H H 66 7.810 7.810 7.481 0.329 19433 3671 1 8 . 1 1 67 67 GLU N N 67 121.149 121.149 122.212 -1.063 19433 3672 1 8 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.234 0.069 19433 3673 1 8 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.952 -2.033 19433 3674 1 8 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.262 -3.232 19433 3675 1 8 . 1 1 67 67 GLU H H 67 7.518 7.518 8.185 -0.667 19433 3676 1 8 . 1 1 68 68 LYS N N 68 124.553 124.553 128.132 -3.579 19433 3677 1 8 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.696 0.190 19433 3678 1 8 . 1 1 68 68 LYS CA C 68 53.002 53.002 56.005 -3.003 19433 3679 1 8 . 1 1 68 68 LYS CB C 68 31.499 31.499 33.694 -2.195 19433 3680 1 8 . 1 1 68 68 LYS H H 68 8.631 8.631 8.511 0.120 19433 3681 1 8 . 1 1 69 69 PHE N N 69 119.363 119.363 123.270 -3.907 19433 3682 1 8 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.042 0.120 19433 3683 1 8 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.424 -2.814 19433 3684 1 8 . 1 1 69 69 PHE CB C 69 39.531 39.531 40.989 -1.458 19433 3685 1 8 . 1 1 69 69 PHE H H 69 8.180 8.180 8.450 -0.270 19433 3686 1 8 . 1 1 70 70 THR N N 70 113.468 113.468 111.725 1.743 19433 3687 1 8 . 1 1 70 70 THR HA H 70 5.331 5.331 4.986 0.345 19433 3688 1 8 . 1 1 70 70 THR CA C 70 57.694 57.694 59.925 -2.231 19433 3689 1 8 . 1 1 70 70 THR CB C 70 69.969 69.969 72.479 -2.510 19433 3690 1 8 . 1 1 70 70 THR H H 70 8.623 8.623 8.426 0.197 19433 3691 1 8 . 1 1 71 71 GLY N N 71 110.469 110.469 109.275 1.194 19433 3692 1 8 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.352 -1.594 19433 3693 1 8 . 1 1 71 71 GLY H H 71 8.955 8.955 7.919 1.036 19433 3694 1 8 . 1 1 72 72 HIS N N 72 121.565 121.565 118.221 3.344 19433 3695 1 8 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.403 0.883 19433 3696 1 8 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.217 -4.297 19433 3697 1 8 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.511 1.898 19433 3698 1 8 . 1 1 72 72 HIS H H 72 8.162 8.162 7.702 0.460 19433 3699 1 8 . 1 1 73 73 PHE N N 73 122.114 122.114 121.227 0.887 19433 3700 1 8 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.987 0.007 19433 3701 1 8 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.978 -2.976 19433 3702 1 8 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.732 -2.454 19433 3703 1 8 . 1 1 73 73 PHE H H 73 9.117 9.117 8.620 0.497 19433 3704 1 8 . 1 1 74 74 LYS N N 74 122.834 122.834 119.090 3.744 19433 3705 1 8 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.906 -0.030 19433 3706 1 8 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.449 -2.648 19433 3707 1 8 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.204 -3.463 19433 3708 1 8 . 1 1 74 74 LYS H H 74 8.889 8.889 8.513 0.376 19433 3709 1 8 . 1 1 75 75 GLY N N 75 109.821 109.821 108.382 1.439 19433 3710 1 8 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.744 -1.509 19433 3711 1 8 . 1 1 75 75 GLY H H 75 8.418 8.418 8.327 0.091 19433 3712 1 8 . 1 1 76 76 LEU N N 76 119.557 119.557 119.021 0.536 19433 3713 1 8 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.624 -0.284 19433 3714 1 8 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.329 -1.955 19433 3715 1 8 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.215 -3.556 19433 3716 1 8 . 1 1 76 76 LEU H H 76 7.893 7.893 7.687 0.206 19433 3717 1 8 . 1 1 77 77 VAL N N 77 118.411 118.411 115.998 2.413 19433 3718 1 8 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.397 -0.004 19433 3719 1 8 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.711 -2.266 19433 3720 1 8 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.902 -2.690 19433 3721 1 8 . 1 1 77 77 VAL H H 77 8.583 8.583 8.148 0.435 19433 3722 1 8 . 1 1 78 78 GLY N N 78 111.284 111.284 109.694 1.590 19433 3723 1 8 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.548 -2.550 19433 3724 1 8 . 1 1 78 78 GLY H H 78 8.218 8.218 8.193 0.025 19433 3725 1 8 . 1 1 79 79 LYS N N 79 120.895 120.895 121.751 -0.856 19433 3726 1 8 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.479 -0.202 19433 3727 1 8 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.312 -0.861 19433 3728 1 8 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.435 -2.159 19433 3729 1 8 . 1 1 79 79 LYS H H 79 8.347 8.347 8.611 -0.264 19433 3730 1 8 . 1 1 80 80 ASP N N 80 119.681 119.681 115.179 4.502 19433 3731 1 8 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.153 -0.346 19433 3732 1 8 . 1 1 80 80 ASP CA C 80 51.234 51.234 53.108 -1.874 19433 3733 1 8 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.558 -4.534 19433 3734 1 8 . 1 1 80 80 ASP H H 80 7.993 7.993 7.588 0.405 19433 3735 1 8 . 1 1 81 81 THR N N 81 118.659 118.659 112.617 6.042 19433 3736 1 8 . 1 1 81 81 THR HA H 81 4.076 4.076 4.618 -0.542 19433 3737 1 8 . 1 1 81 81 THR CA C 81 60.371 60.371 61.434 -1.063 19433 3738 1 8 . 1 1 81 81 THR CB C 81 67.694 67.694 71.274 -3.580 19433 3739 1 8 . 1 1 81 81 THR H H 81 8.002 8.002 7.739 0.263 19433 3740 1 8 . 1 1 82 82 ARG N N 82 127.944 127.944 118.557 9.387 19433 3741 1 8 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.025 -0.428 19433 3742 1 8 . 1 1 82 82 ARG CA C 82 52.171 52.171 55.078 -2.907 19433 3743 1 8 . 1 1 82 82 ARG CB C 82 29.608 29.608 32.683 -3.075 19433 3744 1 8 . 1 1 82 82 ARG H H 82 8.183 8.183 8.231 -0.048 19433 3745 1 8 . 1 1 83 83 VAL N N 83 121.617 121.617 118.613 3.004 19433 3746 1 8 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.354 -0.290 19433 3747 1 8 . 1 1 83 83 VAL CA C 83 57.675 57.675 60.853 -3.178 19433 3748 1 8 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.964 -4.649 19433 3749 1 8 . 1 1 83 83 VAL H H 83 8.639 8.639 8.193 0.446 19433 3750 1 8 . 1 1 84 84 PHE N N 84 124.702 124.702 126.884 -2.182 19433 3751 1 8 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.761 0.206 19433 3752 1 8 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.948 -1.149 19433 3753 1 8 . 1 1 84 84 PHE CB C 84 38.688 38.688 39.071 -0.383 19433 3754 1 8 . 1 1 84 84 PHE H H 84 9.198 9.198 8.823 0.375 19433 3755 1 8 . 1 1 85 85 ILE N N 85 123.027 123.027 124.001 -0.974 19433 3756 1 8 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.323 0.124 19433 3757 1 8 . 1 1 85 85 ILE CA C 85 57.913 57.913 61.240 -3.327 19433 3758 1 8 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.937 -2.067 19433 3759 1 8 . 1 1 85 85 ILE H H 85 8.650 8.650 8.121 0.529 19433 3760 1 8 . 1 1 86 86 GLU N N 86 124.137 124.137 124.823 -0.686 19433 3761 1 8 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.992 -0.417 19433 3762 1 8 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.482 -2.951 19433 3763 1 8 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.957 -1.430 19433 3764 1 8 . 1 1 86 86 GLU H H 86 8.754 8.754 8.038 0.716 19433 3765 1 8 . 1 1 87 87 LEU N N 87 120.087 120.087 118.793 1.294 19433 3766 1 8 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.280 -0.419 19433 3767 1 8 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.604 -2.474 19433 3768 1 8 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.352 -3.091 19433 3769 1 8 . 1 1 87 87 LEU H H 87 8.394 8.394 8.349 0.045 19433 3770 1 8 . 1 1 88 88 ASP N N 88 123.072 123.072 118.799 4.273 19433 3771 1 8 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.818 -0.159 19433 3772 1 8 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.919 -3.700 19433 3773 1 8 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.381 -4.274 19433 3774 1 8 . 1 1 88 88 ASP H H 88 8.770 8.770 8.531 0.239 19433 3775 1 8 . 1 1 89 89 GLU N N 89 117.437 117.437 117.557 -0.120 19433 3776 1 8 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.994 0.082 19433 3777 1 8 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.418 -3.430 19433 3778 1 8 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.564 -2.402 19433 3779 1 8 . 1 1 89 89 GLU H H 89 9.033 9.033 8.829 0.204 19433 3780 1 8 . 1 1 90 90 ASN N N 90 118.824 118.824 119.673 -0.849 19433 3781 1 8 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.836 -0.050 19433 3782 1 8 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.828 -2.658 19433 3783 1 8 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.721 -3.025 19433 3784 1 8 . 1 1 90 90 ASN H H 90 8.351 8.351 8.176 0.175 19433 3785 1 8 . 1 1 91 91 ALA N N 91 118.167 118.167 121.714 -3.547 19433 3786 1 8 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.773 -0.021 19433 3787 1 8 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.154 -1.899 19433 3788 1 8 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.817 -3.899 19433 3789 1 8 . 1 1 91 91 ALA H H 91 8.284 8.284 7.976 0.308 19433 3790 1 8 . 1 1 92 92 ASP N N 92 118.574 118.574 118.671 -0.097 19433 3791 1 8 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.723 0.209 19433 3792 1 8 . 1 1 92 92 ASP CA C 92 50.816 50.816 55.331 -4.515 19433 3793 1 8 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.962 -3.792 19433 3794 1 8 . 1 1 92 92 ASP H H 92 8.215 8.215 8.075 0.140 19433 3795 1 8 . 1 1 93 93 VAL N N 93 121.604 121.604 123.309 -1.705 19433 3796 1 8 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.293 -0.224 19433 3797 1 8 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.608 -2.155 19433 3798 1 8 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.227 -2.239 19433 3799 1 8 . 1 1 93 93 VAL H H 93 8.440 8.440 8.579 -0.139 19433 3800 1 8 . 1 1 94 94 GLN N N 94 125.344 125.344 126.056 -0.712 19433 3801 1 8 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.588 0.173 19433 3802 1 8 . 1 1 94 94 GLN CA C 94 50.314 50.314 54.039 -3.725 19433 3803 1 8 . 1 1 94 94 GLN CB C 94 29.399 29.399 30.100 -0.701 19433 3804 1 8 . 1 1 94 94 GLN H H 94 8.958 8.958 7.846 1.112 19433 3805 1 8 . 1 1 95 95 VAL N N 95 119.370 119.370 118.643 0.727 19433 3806 1 8 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.570 0.491 19433 3807 1 8 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.932 -4.652 19433 3808 1 8 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.496 -3.570 19433 3809 1 8 . 1 1 95 95 VAL H H 95 8.420 8.420 8.434 -0.014 19433 3810 1 8 . 1 1 96 96 PHE N N 96 126.219 126.219 128.027 -1.808 19433 3811 1 8 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.088 -0.056 19433 3812 1 8 . 1 1 96 96 PHE CA C 96 53.890 53.890 57.045 -3.155 19433 3813 1 8 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.789 -3.286 19433 3814 1 8 . 1 1 96 96 PHE H H 96 9.314 9.314 8.746 0.568 19433 3815 1 8 . 1 1 97 97 ILE N N 97 123.424 123.424 116.088 7.336 19433 3816 1 8 . 1 1 97 97 ILE HA H 97 4.814 4.814 3.950 0.864 19433 3817 1 8 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.966 -1.900 19433 3818 1 8 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.266 -2.989 19433 3819 1 8 . 1 1 97 97 ILE H H 97 7.613 7.613 6.489 1.124 19433 3820 1 8 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.345 -0.075 19433 3821 1 8 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.933 -2.935 19433 3822 1 8 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.543 -1.886 19433 3823 1 8 . 1 1 99 99 GLN N N 99 121.028 121.028 122.806 -1.778 19433 3824 1 8 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.551 -0.096 19433 3825 1 8 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.464 -1.844 19433 3826 1 8 . 1 1 99 99 GLN CB C 99 28.443 28.443 32.451 -4.008 19433 3827 1 8 . 1 1 99 99 GLN H H 99 8.507 8.507 8.146 0.361 19433 3828 1 8 . 1 1 100 100 GLY N N 100 110.029 110.029 110.266 -0.237 19433 3829 1 8 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.555 -2.927 19433 3830 1 8 . 1 1 100 100 GLY H H 100 8.356 8.356 8.652 -0.296 19433 3831 1 8 . 1 1 101 101 GLU N N 101 120.385 120.385 121.034 -0.649 19433 3832 1 8 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.632 -0.341 19433 3833 1 8 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.797 -2.046 19433 3834 1 8 . 1 1 101 101 GLU CB C 101 27.830 27.830 30.654 -2.824 19433 3835 1 8 . 1 1 101 101 GLU H H 101 8.378 8.378 8.639 -0.261 19433 3836 1 8 . 1 1 102 102 ILE N N 102 120.838 120.838 119.769 1.069 19433 3837 1 8 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.074 0.092 19433 3838 1 8 . 1 1 102 102 ILE CA C 102 58.368 58.368 61.212 -2.844 19433 3839 1 8 . 1 1 102 102 ILE CB C 102 36.713 36.713 35.563 1.150 19433 3840 1 8 . 1 1 102 102 ILE H H 102 8.168 8.168 7.799 0.369 19433 3841 1 9 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.611 -0.380 19433 3842 1 9 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.958 -1.425 19433 3843 1 9 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.909 -3.265 19433 3844 1 9 . 1 1 3 3 GLN N N 3 118.180 118.180 119.870 -1.690 19433 3845 1 9 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.291 -0.023 19433 3846 1 9 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.333 -2.894 19433 3847 1 9 . 1 1 3 3 GLN H H 3 8.579 8.579 8.470 0.109 19433 3848 1 9 . 1 1 4 4 ASP N N 4 120.328 120.328 118.874 1.454 19433 3849 1 9 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.775 -0.278 19433 3850 1 9 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.348 -2.583 19433 3851 1 9 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.045 -2.523 19433 3852 1 9 . 1 1 4 4 ASP H H 4 8.061 8.061 8.072 -0.011 19433 3853 1 9 . 1 1 5 5 GLY N N 5 109.114 109.114 110.650 -1.536 19433 3854 1 9 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.419 -2.389 19433 3855 1 9 . 1 1 5 5 GLY H H 5 8.322 8.322 8.115 0.207 19433 3856 1 9 . 1 1 6 6 LYS N N 6 120.397 120.397 122.613 -2.216 19433 3857 1 9 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.241 0.056 19433 3858 1 9 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.670 -3.351 19433 3859 1 9 . 1 1 6 6 LYS CB C 6 30.441 30.441 31.263 -0.822 19433 3860 1 9 . 1 1 6 6 LYS H H 6 8.030 8.030 8.482 -0.452 19433 3861 1 9 . 1 1 7 7 GLU N N 7 122.113 122.113 120.301 1.812 19433 3862 1 9 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.454 -0.159 19433 3863 1 9 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.714 -2.427 19433 3864 1 9 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.611 -2.854 19433 3865 1 9 . 1 1 7 7 GLU H H 7 8.464 8.464 8.246 0.218 19433 3866 1 9 . 1 1 8 8 THR N N 8 114.459 114.459 112.210 2.249 19433 3867 1 9 . 1 1 8 8 THR HA H 8 4.543 4.543 4.825 -0.282 19433 3868 1 9 . 1 1 8 8 THR CA C 8 57.966 57.966 59.705 -1.739 19433 3869 1 9 . 1 1 8 8 THR CB C 8 68.123 68.123 70.656 -2.533 19433 3870 1 9 . 1 1 8 8 THR H H 8 7.984 7.984 7.652 0.332 19433 3871 1 9 . 1 1 9 9 THR N N 9 116.229 116.229 113.214 3.015 19433 3872 1 9 . 1 1 9 9 THR HA H 9 4.584 4.584 5.029 -0.445 19433 3873 1 9 . 1 1 9 9 THR CA C 9 58.575 58.575 60.306 -1.731 19433 3874 1 9 . 1 1 9 9 THR CB C 9 67.866 67.866 70.702 -2.836 19433 3875 1 9 . 1 1 9 9 THR H H 9 8.140 8.140 8.124 0.016 19433 3876 1 9 . 1 1 10 10 THR N N 10 118.509 118.509 115.819 2.690 19433 3877 1 9 . 1 1 10 10 THR HA H 10 4.563 4.563 4.584 -0.021 19433 3878 1 9 . 1 1 10 10 THR CA C 10 59.364 59.364 61.855 -2.490 19433 3879 1 9 . 1 1 10 10 THR CB C 10 68.411 68.411 71.681 -3.270 19433 3880 1 9 . 1 1 10 10 THR H H 10 8.544 8.544 8.292 0.252 19433 3881 1 9 . 1 1 11 11 ILE N N 11 126.772 126.772 122.734 4.038 19433 3882 1 9 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.642 -0.617 19433 3883 1 9 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.203 -1.880 19433 3884 1 9 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.839 -5.499 19433 3885 1 9 . 1 1 11 11 ILE H H 11 8.595 8.595 8.448 0.147 19433 3886 1 9 . 1 1 12 12 ARG N N 12 125.922 125.922 123.464 2.458 19433 3887 1 9 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.905 0.088 19433 3888 1 9 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.290 -3.400 19433 3889 1 9 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.598 -3.634 19433 3890 1 9 . 1 1 12 12 ARG H H 12 8.031 8.031 8.201 -0.170 19433 3891 1 9 . 1 1 13 13 LEU N N 13 126.771 126.771 125.266 1.505 19433 3892 1 9 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.661 0.282 19433 3893 1 9 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.077 -3.451 19433 3894 1 9 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.572 -2.539 19433 3895 1 9 . 1 1 13 13 LEU H H 13 8.828 8.828 9.093 -0.265 19433 3896 1 9 . 1 1 14 14 ILE N N 14 123.438 123.438 121.947 1.491 19433 3897 1 9 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.558 -0.381 19433 3898 1 9 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.288 -1.774 19433 3899 1 9 . 1 1 14 14 ILE CB C 14 38.667 38.667 39.832 -1.165 19433 3900 1 9 . 1 1 14 14 ILE H H 14 8.847 8.847 8.548 0.299 19433 3901 1 9 . 1 1 15 15 ASN N N 15 123.130 123.130 125.654 -2.524 19433 3902 1 9 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.746 0.134 19433 3903 1 9 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.985 -3.317 19433 3904 1 9 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.240 -3.419 19433 3905 1 9 . 1 1 15 15 ASN H H 15 8.446 8.446 8.659 -0.213 19433 3906 1 9 . 1 1 16 16 GLN N N 16 125.061 125.061 123.583 1.478 19433 3907 1 9 . 1 1 16 16 GLN HA H 16 4.531 4.531 4.256 0.275 19433 3908 1 9 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.688 -2.528 19433 3909 1 9 . 1 1 16 16 GLN CB C 16 26.904 26.904 27.398 -0.494 19433 3910 1 9 . 1 1 16 16 GLN H H 16 9.063 9.063 7.868 1.195 19433 3911 1 9 . 1 1 17 17 THR N N 17 110.936 110.936 112.347 -1.411 19433 3912 1 9 . 1 1 17 17 THR HA H 17 4.415 4.415 4.446 -0.031 19433 3913 1 9 . 1 1 17 17 THR CA C 17 58.240 58.240 59.567 -1.327 19433 3914 1 9 . 1 1 17 17 THR CB C 17 67.913 67.913 70.440 -2.527 19433 3915 1 9 . 1 1 17 17 THR H H 17 7.765 7.765 7.326 0.439 19433 3916 1 9 . 1 1 18 18 TYR N N 18 112.380 112.380 117.766 -5.386 19433 3917 1 9 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.633 -0.278 19433 3918 1 9 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.053 -1.024 19433 3919 1 9 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.993 -3.426 19433 3920 1 9 . 1 1 18 18 TYR H H 18 6.950 6.950 8.376 -1.426 19433 3921 1 9 . 1 1 19 19 PHE N N 19 119.710 119.710 115.975 3.735 19433 3922 1 9 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.707 0.289 19433 3923 1 9 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.188 -2.178 19433 3924 1 9 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.896 -1.425 19433 3925 1 9 . 1 1 19 19 PHE H H 19 8.014 8.014 6.571 1.443 19433 3926 1 9 . 1 1 20 20 ASN N N 20 117.921 117.921 117.974 -0.053 19433 3927 1 9 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.072 -0.383 19433 3928 1 9 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.497 -0.460 19433 3929 1 9 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.711 -4.405 19433 3930 1 9 . 1 1 20 20 ASN H H 20 8.724 8.724 8.491 0.233 19433 3931 1 9 . 1 1 21 21 VAL N N 21 115.311 115.311 114.833 0.478 19433 3932 1 9 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.903 -0.019 19433 3933 1 9 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.920 -2.419 19433 3934 1 9 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.925 -4.080 19433 3935 1 9 . 1 1 21 21 VAL H H 21 8.186 8.186 8.645 -0.459 19433 3936 1 9 . 1 1 22 22 LYS N N 22 119.772 119.772 120.786 -1.014 19433 3937 1 9 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.780 0.222 19433 3938 1 9 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.812 -4.279 19433 3939 1 9 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.623 0.642 19433 3940 1 9 . 1 1 22 22 LYS H H 22 9.331 9.331 8.535 0.796 19433 3941 1 9 . 1 1 23 23 ASN N N 23 116.781 116.781 114.942 1.839 19433 3942 1 9 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.769 -0.566 19433 3943 1 9 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.760 -1.827 19433 3944 1 9 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.954 -4.434 19433 3945 1 9 . 1 1 23 23 ASN H H 23 8.573 8.573 8.123 0.450 19433 3946 1 9 . 1 1 24 24 ILE N N 24 118.303 118.303 122.700 -4.397 19433 3947 1 9 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.442 0.302 19433 3948 1 9 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.149 -3.605 19433 3949 1 9 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.818 -1.581 19433 3950 1 9 . 1 1 24 24 ILE H H 24 8.329 8.329 7.631 0.698 19433 3951 1 9 . 1 1 25 25 LYS N N 25 129.189 129.189 127.996 1.193 19433 3952 1 9 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.698 0.188 19433 3953 1 9 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.720 -2.959 19433 3954 1 9 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.505 -1.857 19433 3955 1 9 . 1 1 25 25 LYS H H 25 9.102 9.102 8.876 0.226 19433 3956 1 9 . 1 1 26 26 VAL N N 26 129.283 129.283 126.308 2.975 19433 3957 1 9 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.561 0.405 19433 3958 1 9 . 1 1 26 26 VAL CA C 26 58.099 58.099 62.206 -4.107 19433 3959 1 9 . 1 1 26 26 VAL CB C 26 31.370 31.370 33.608 -2.239 19433 3960 1 9 . 1 1 26 26 VAL H H 26 9.057 9.057 9.006 0.051 19433 3961 1 9 . 1 1 27 27 THR N N 27 120.185 120.185 122.447 -2.262 19433 3962 1 9 . 1 1 27 27 THR HA H 27 5.542 5.542 5.272 0.270 19433 3963 1 9 . 1 1 27 27 THR CA C 27 56.977 56.977 61.579 -4.602 19433 3964 1 9 . 1 1 27 27 THR CB C 27 68.220 68.220 71.042 -2.822 19433 3965 1 9 . 1 1 27 27 THR H H 27 9.177 9.177 9.281 -0.104 19433 3966 1 9 . 1 1 28 28 TRP N N 28 123.046 123.046 124.990 -1.944 19433 3967 1 9 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.448 -0.058 19433 3968 1 9 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.270 -1.653 19433 3969 1 9 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.840 -0.878 19433 3970 1 9 . 1 1 28 28 TRP H H 28 8.787 8.787 8.416 0.371 19433 3971 1 9 . 1 1 29 29 ASN N N 29 116.792 116.792 116.864 -0.072 19433 3972 1 9 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.681 -1.265 19433 3973 1 9 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.750 -1.485 19433 3974 1 9 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.468 -7.289 19433 3975 1 9 . 1 1 29 29 ASN H H 29 8.193 8.193 7.573 0.620 19433 3976 1 9 . 1 1 30 30 ASP N N 30 118.710 118.710 121.661 -2.951 19433 3977 1 9 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.607 -0.090 19433 3978 1 9 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.521 -4.059 19433 3979 1 9 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.480 -2.982 19433 3980 1 9 . 1 1 30 30 ASP H H 30 8.937 8.937 8.677 0.260 19433 3981 1 9 . 1 1 31 31 GLY N N 31 106.542 106.542 114.203 -7.661 19433 3982 1 9 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.764 -1.298 19433 3983 1 9 . 1 1 31 31 GLY H H 31 7.594 7.594 7.945 -0.351 19433 3984 1 9 . 1 1 32 32 LYS N N 32 121.904 121.904 124.726 -2.822 19433 3985 1 9 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.007 -0.118 19433 3986 1 9 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.885 -3.060 19433 3987 1 9 . 1 1 32 32 LYS CB C 32 28.130 28.130 32.533 -4.404 19433 3988 1 9 . 1 1 32 32 LYS H H 32 7.510 7.510 8.027 -0.517 19433 3989 1 9 . 1 1 33 33 GLU N N 33 119.124 119.124 122.097 -2.973 19433 3990 1 9 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.119 0.161 19433 3991 1 9 . 1 1 33 33 GLU CA C 33 52.331 52.331 53.904 -1.573 19433 3992 1 9 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.062 -1.353 19433 3993 1 9 . 1 1 33 33 GLU H H 33 7.843 7.843 7.958 -0.115 19433 3994 1 9 . 1 1 34 34 GLN N N 34 123.230 123.230 116.098 7.132 19433 3995 1 9 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.760 -0.337 19433 3996 1 9 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.788 -2.491 19433 3997 1 9 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.059 -1.817 19433 3998 1 9 . 1 1 34 34 GLN H H 34 9.114 9.114 8.721 0.393 19433 3999 1 9 . 1 1 35 35 THR N N 35 119.194 119.194 111.699 7.495 19433 4000 1 9 . 1 1 35 35 THR HA H 35 5.241 5.241 5.326 -0.085 19433 4001 1 9 . 1 1 35 35 THR CA C 35 58.075 58.075 60.092 -2.017 19433 4002 1 9 . 1 1 35 35 THR CB C 35 67.936 67.936 71.812 -3.876 19433 4003 1 9 . 1 1 35 35 THR H H 35 8.397 8.397 8.137 0.260 19433 4004 1 9 . 1 1 36 36 VAL N N 36 126.317 126.317 123.935 2.382 19433 4005 1 9 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.001 0.165 19433 4006 1 9 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.653 -3.357 19433 4007 1 9 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.679 -0.894 19433 4008 1 9 . 1 1 36 36 VAL H H 36 8.976 8.976 8.746 0.230 19433 4009 1 9 . 1 1 37 37 ASN N N 37 126.536 126.536 125.886 0.650 19433 4010 1 9 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.509 -0.148 19433 4011 1 9 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.835 -0.741 19433 4012 1 9 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.657 -2.903 19433 4013 1 9 . 1 1 37 37 ASN H H 37 8.974 8.974 8.821 0.153 19433 4014 1 9 . 1 1 38 38 THR N N 38 112.460 112.460 113.266 -0.806 19433 4015 1 9 . 1 1 38 38 THR HA H 38 4.850 4.850 4.742 0.108 19433 4016 1 9 . 1 1 38 38 THR CA C 38 58.536 58.536 62.068 -3.531 19433 4017 1 9 . 1 1 38 38 THR CB C 38 69.085 69.085 70.877 -1.792 19433 4018 1 9 . 1 1 38 38 THR H H 38 7.762 7.762 7.700 0.062 19433 4019 1 9 . 1 1 39 39 LEU N N 39 126.316 126.316 129.422 -3.106 19433 4020 1 9 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.702 -0.159 19433 4021 1 9 . 1 1 39 39 LEU CA C 39 51.785 51.785 52.886 -1.101 19433 4022 1 9 . 1 1 39 39 LEU CB C 39 42.341 42.341 44.285 -1.944 19433 4023 1 9 . 1 1 39 39 LEU H H 39 8.572 8.572 8.955 -0.383 19433 4024 1 9 . 1 1 40 40 GLY N N 40 116.669 116.669 113.310 3.359 19433 4025 1 9 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.781 -2.516 19433 4026 1 9 . 1 1 40 40 GLY H H 40 9.303 9.303 8.353 0.950 19433 4027 1 9 . 1 1 41 41 SER N N 41 113.384 113.384 116.730 -3.346 19433 4028 1 9 . 1 1 41 41 SER HA H 41 3.612 3.612 4.270 -0.658 19433 4029 1 9 . 1 1 41 41 SER CA C 41 56.211 56.211 59.867 -3.656 19433 4030 1 9 . 1 1 41 41 SER CB C 41 60.482 60.482 62.624 -2.142 19433 4031 1 9 . 1 1 41 41 SER H H 41 7.883 7.883 8.290 -0.407 19433 4032 1 9 . 1 1 42 42 HIS N N 42 120.045 120.045 119.967 0.078 19433 4033 1 9 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.233 0.199 19433 4034 1 9 . 1 1 42 42 HIS CA C 42 55.004 55.004 56.773 -1.768 19433 4035 1 9 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.427 -4.982 19433 4036 1 9 . 1 1 42 42 HIS H H 42 7.882 7.882 8.707 -0.825 19433 4037 1 9 . 1 1 43 43 ASP N N 43 119.308 119.308 119.770 -0.462 19433 4038 1 9 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.848 0.189 19433 4039 1 9 . 1 1 43 43 ASP CA C 43 50.078 50.078 53.691 -3.613 19433 4040 1 9 . 1 1 43 43 ASP CB C 43 40.709 40.709 43.114 -2.405 19433 4041 1 9 . 1 1 43 43 ASP H H 43 7.906 7.906 7.929 -0.023 19433 4042 1 9 . 1 1 44 44 SER N N 44 111.544 111.544 113.554 -2.010 19433 4043 1 9 . 1 1 44 44 SER HA H 44 5.617 5.617 5.428 0.189 19433 4044 1 9 . 1 1 44 44 SER CA C 44 53.597 53.597 57.140 -3.543 19433 4045 1 9 . 1 1 44 44 SER CB C 44 65.207 65.207 66.316 -1.109 19433 4046 1 9 . 1 1 44 44 SER H H 44 8.396 8.396 8.255 0.141 19433 4047 1 9 . 1 1 45 45 ILE N N 45 119.898 119.898 120.934 -1.036 19433 4048 1 9 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.756 -0.246 19433 4049 1 9 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.370 -3.330 19433 4050 1 9 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.229 -2.983 19433 4051 1 9 . 1 1 45 45 ILE H H 45 8.726 8.726 8.616 0.110 19433 4052 1 9 . 1 1 46 46 ASP N N 46 123.866 123.866 126.137 -2.271 19433 4053 1 9 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.486 0.035 19433 4054 1 9 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.710 -3.337 19433 4055 1 9 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.980 -2.168 19433 4056 1 9 . 1 1 46 46 ASP H H 46 7.891 7.891 8.359 -0.468 19433 4057 1 9 . 1 1 47 47 PHE N N 47 116.649 116.649 116.815 -0.166 19433 4058 1 9 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.827 -0.054 19433 4059 1 9 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.732 -2.644 19433 4060 1 9 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.020 -3.280 19433 4061 1 9 . 1 1 47 47 PHE H H 47 8.654 8.654 8.304 0.350 19433 4062 1 9 . 1 1 48 48 SER N N 48 114.033 114.033 117.126 -3.093 19433 4063 1 9 . 1 1 48 48 SER HA H 48 4.729 4.729 4.554 0.175 19433 4064 1 9 . 1 1 48 48 SER CA C 48 49.403 49.403 58.990 -9.587 19433 4065 1 9 . 1 1 48 48 SER CB C 48 61.957 61.957 63.943 -1.986 19433 4066 1 9 . 1 1 48 48 SER H H 48 8.667 8.667 8.413 0.254 19433 4067 1 9 . 1 1 49 49 SER N N 49 119.169 119.169 118.796 0.373 19433 4068 1 9 . 1 1 49 49 SER HA H 49 4.357 4.357 4.696 -0.339 19433 4069 1 9 . 1 1 49 49 SER CA C 49 55.003 55.003 57.041 -2.038 19433 4070 1 9 . 1 1 49 49 SER CB C 49 61.708 61.708 65.618 -3.909 19433 4071 1 9 . 1 1 49 49 SER H H 49 8.644 8.644 8.282 0.362 19433 4072 1 9 . 1 1 50 50 ASP N N 50 120.389 120.389 121.647 -1.258 19433 4073 1 9 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.855 -0.410 19433 4074 1 9 . 1 1 50 50 ASP CA C 50 52.432 52.432 53.894 -1.462 19433 4075 1 9 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.758 -2.636 19433 4076 1 9 . 1 1 50 50 ASP H H 50 8.743 8.743 9.142 -0.399 19433 4077 1 9 . 1 1 51 51 ALA N N 51 120.149 120.149 122.415 -2.266 19433 4078 1 9 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.654 -0.028 19433 4079 1 9 . 1 1 51 51 ALA CA C 51 48.702 48.702 52.242 -3.540 19433 4080 1 9 . 1 1 51 51 ALA CB C 51 19.196 19.196 19.893 -0.697 19433 4081 1 9 . 1 1 51 51 ALA H H 51 8.178 8.178 7.906 0.272 19433 4082 1 9 . 1 1 52 52 GLY N N 52 106.575 106.575 107.883 -1.308 19433 4083 1 9 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.159 -3.292 19433 4084 1 9 . 1 1 52 52 GLY H H 52 8.465 8.465 8.875 -0.410 19433 4085 1 9 . 1 1 53 53 SER N N 53 111.247 111.247 113.459 -2.212 19433 4086 1 9 . 1 1 53 53 SER HA H 53 4.371 4.371 4.542 -0.171 19433 4087 1 9 . 1 1 53 53 SER CA C 53 55.270 55.270 57.925 -2.655 19433 4088 1 9 . 1 1 53 53 SER CB C 53 61.515 61.515 65.707 -4.192 19433 4089 1 9 . 1 1 53 53 SER H H 53 7.606 7.606 7.762 -0.156 19433 4090 1 9 . 1 1 54 54 VAL N N 54 124.481 124.481 119.384 5.097 19433 4091 1 9 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.245 0.061 19433 4092 1 9 . 1 1 54 54 VAL CA C 54 59.775 59.775 60.960 -1.185 19433 4093 1 9 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.390 -5.697 19433 4094 1 9 . 1 1 54 54 VAL H H 54 8.587 8.587 8.656 -0.069 19433 4095 1 9 . 1 1 55 55 TYR N N 55 122.616 122.616 115.965 6.651 19433 4096 1 9 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.177 0.004 19433 4097 1 9 . 1 1 55 55 TYR CA C 55 53.682 53.682 56.125 -2.443 19433 4098 1 9 . 1 1 55 55 TYR CB C 55 36.877 36.877 40.685 -3.808 19433 4099 1 9 . 1 1 55 55 TYR H H 55 8.586 8.586 8.171 0.415 19433 4100 1 9 . 1 1 56 56 LYS N N 56 121.197 121.197 118.520 2.677 19433 4101 1 9 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.888 -0.132 19433 4102 1 9 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.331 -1.925 19433 4103 1 9 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.304 -3.831 19433 4104 1 9 . 1 1 56 56 LYS H H 56 7.276 7.276 7.445 -0.169 19433 4105 1 9 . 1 1 57 57 MET N N 57 122.040 122.040 121.639 0.401 19433 4106 1 9 . 1 1 57 57 MET HA H 57 5.440 5.440 5.429 0.011 19433 4107 1 9 . 1 1 57 57 MET CA C 57 52.893 52.893 55.533 -2.640 19433 4108 1 9 . 1 1 57 57 MET CB C 57 35.646 35.646 37.708 -2.062 19433 4109 1 9 . 1 1 57 57 MET H H 57 8.637 8.637 8.807 -0.170 19433 4110 1 9 . 1 1 58 58 ASP N N 58 125.086 125.086 127.363 -2.277 19433 4111 1 9 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.601 0.139 19433 4112 1 9 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.060 -2.276 19433 4113 1 9 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.843 -1.504 19433 4114 1 9 . 1 1 58 58 ASP H H 58 9.367 9.367 9.323 0.044 19433 4115 1 9 . 1 1 59 59 VAL N N 59 120.817 120.817 127.319 -6.502 19433 4116 1 9 . 1 1 59 59 VAL HA H 59 5.058 5.058 5.137 -0.079 19433 4117 1 9 . 1 1 59 59 VAL CA C 59 58.103 58.103 60.898 -2.795 19433 4118 1 9 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.783 -0.001 19433 4119 1 9 . 1 1 59 59 VAL H H 59 8.890 8.890 8.814 0.076 19433 4120 1 9 . 1 1 60 60 THR N N 60 120.028 120.028 119.898 0.130 19433 4121 1 9 . 1 1 60 60 THR HA H 60 5.125 5.125 5.042 0.083 19433 4122 1 9 . 1 1 60 60 THR CA C 60 56.923 56.923 60.290 -3.367 19433 4123 1 9 . 1 1 60 60 THR CB C 60 68.946 68.946 70.903 -1.957 19433 4124 1 9 . 1 1 60 60 THR H H 60 8.578 8.578 8.202 0.376 19433 4125 1 9 . 1 1 61 61 GLY N N 61 108.812 108.812 112.904 -4.092 19433 4126 1 9 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.032 -0.838 19433 4127 1 9 . 1 1 61 61 GLY H H 61 7.330 7.330 8.194 -0.864 19433 4128 1 9 . 1 1 62 62 THR N N 62 111.342 111.342 114.390 -3.048 19433 4129 1 9 . 1 1 62 62 THR HA H 62 5.333 5.333 5.157 0.176 19433 4130 1 9 . 1 1 62 62 THR CA C 62 57.514 57.514 60.582 -3.068 19433 4131 1 9 . 1 1 62 62 THR CB C 62 69.348 69.348 72.599 -3.251 19433 4132 1 9 . 1 1 62 62 THR H H 62 8.013 8.013 7.767 0.246 19433 4133 1 9 . 1 1 63 63 THR N N 63 115.003 115.003 115.341 -0.338 19433 4134 1 9 . 1 1 63 63 THR HA H 63 4.751 4.751 4.440 0.311 19433 4135 1 9 . 1 1 63 63 THR CA C 63 58.700 58.700 60.397 -1.697 19433 4136 1 9 . 1 1 63 63 THR CB C 63 68.654 68.654 69.857 -1.203 19433 4137 1 9 . 1 1 63 63 THR H H 63 9.432 9.432 8.710 0.722 19433 4138 1 9 . 1 1 64 64 GLN N N 64 120.671 120.671 122.058 -1.387 19433 4139 1 9 . 1 1 64 64 GLN HA H 64 3.842 3.842 3.924 -0.082 19433 4140 1 9 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.253 -2.981 19433 4141 1 9 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.429 -2.343 19433 4142 1 9 . 1 1 64 64 GLN H H 64 8.037 8.037 8.546 -0.509 19433 4143 1 9 . 1 1 65 65 SER N N 65 110.096 110.096 112.227 -2.131 19433 4144 1 9 . 1 1 65 65 SER HA H 65 4.351 4.351 4.292 0.059 19433 4145 1 9 . 1 1 65 65 SER CA C 65 55.577 55.577 59.259 -3.682 19433 4146 1 9 . 1 1 65 65 SER CB C 65 60.350 60.350 63.302 -2.952 19433 4147 1 9 . 1 1 65 65 SER H H 65 7.670 7.670 8.321 -0.651 19433 4148 1 9 . 1 1 66 66 GLY N N 66 109.466 109.466 108.883 0.583 19433 4149 1 9 . 1 1 66 66 GLY CA C 66 42.650 42.650 44.996 -2.346 19433 4150 1 9 . 1 1 66 66 GLY H H 66 7.810 7.810 7.598 0.212 19433 4151 1 9 . 1 1 67 67 GLU N N 67 121.149 121.149 120.914 0.235 19433 4152 1 9 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.279 0.024 19433 4153 1 9 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.607 -2.688 19433 4154 1 9 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.675 -3.645 19433 4155 1 9 . 1 1 67 67 GLU H H 67 7.518 7.518 7.943 -0.425 19433 4156 1 9 . 1 1 68 68 LYS N N 68 124.553 124.553 124.937 -0.384 19433 4157 1 9 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.789 0.097 19433 4158 1 9 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.375 -2.373 19433 4159 1 9 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.371 -2.873 19433 4160 1 9 . 1 1 68 68 LYS H H 68 8.631 8.631 8.413 0.218 19433 4161 1 9 . 1 1 69 69 PHE N N 69 119.363 119.363 124.150 -4.787 19433 4162 1 9 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.006 0.156 19433 4163 1 9 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.618 -3.008 19433 4164 1 9 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.278 -1.747 19433 4165 1 9 . 1 1 69 69 PHE H H 69 8.180 8.180 8.426 -0.246 19433 4166 1 9 . 1 1 70 70 THR N N 70 113.468 113.468 111.910 1.558 19433 4167 1 9 . 1 1 70 70 THR HA H 70 5.331 5.331 4.864 0.467 19433 4168 1 9 . 1 1 70 70 THR CA C 70 57.694 57.694 60.349 -2.655 19433 4169 1 9 . 1 1 70 70 THR CB C 70 69.969 69.969 72.292 -2.323 19433 4170 1 9 . 1 1 70 70 THR H H 70 8.623 8.623 8.688 -0.065 19433 4171 1 9 . 1 1 71 71 GLY N N 71 110.469 110.469 108.491 1.978 19433 4172 1 9 . 1 1 71 71 GLY CA C 71 42.758 42.758 45.448 -2.690 19433 4173 1 9 . 1 1 71 71 GLY H H 71 8.955 8.955 8.059 0.896 19433 4174 1 9 . 1 1 72 72 HIS N N 72 121.565 121.565 122.561 -0.996 19433 4175 1 9 . 1 1 72 72 HIS HA H 72 5.286 5.286 5.435 -0.149 19433 4176 1 9 . 1 1 72 72 HIS CA C 72 51.920 51.920 54.372 -2.452 19433 4177 1 9 . 1 1 72 72 HIS CB C 72 28.409 28.409 30.638 -2.229 19433 4178 1 9 . 1 1 72 72 HIS H H 72 8.162 8.162 7.802 0.360 19433 4179 1 9 . 1 1 73 73 PHE N N 73 122.114 122.114 123.670 -1.556 19433 4180 1 9 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.876 0.118 19433 4181 1 9 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.054 -3.052 19433 4182 1 9 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.694 -2.416 19433 4183 1 9 . 1 1 73 73 PHE H H 73 9.117 9.117 9.176 -0.059 19433 4184 1 9 . 1 1 74 74 LYS N N 74 122.834 122.834 121.069 1.765 19433 4185 1 9 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.545 0.331 19433 4186 1 9 . 1 1 74 74 LYS CA C 74 52.801 52.801 56.050 -3.249 19433 4187 1 9 . 1 1 74 74 LYS CB C 74 32.741 32.741 34.364 -1.623 19433 4188 1 9 . 1 1 74 74 LYS H H 74 8.889 8.889 8.739 0.150 19433 4189 1 9 . 1 1 75 75 GLY N N 75 109.821 109.821 109.468 0.353 19433 4190 1 9 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.221 -0.986 19433 4191 1 9 . 1 1 75 75 GLY H H 75 8.418 8.418 7.965 0.453 19433 4192 1 9 . 1 1 76 76 LEU N N 76 119.557 119.557 125.364 -5.807 19433 4193 1 9 . 1 1 76 76 LEU HA H 76 4.340 4.340 5.025 -0.685 19433 4194 1 9 . 1 1 76 76 LEU CA C 76 52.374 52.374 53.607 -1.233 19433 4195 1 9 . 1 1 76 76 LEU CB C 76 39.659 39.659 45.966 -6.307 19433 4196 1 9 . 1 1 76 76 LEU H H 76 7.893 7.893 8.081 -0.188 19433 4197 1 9 . 1 1 77 77 VAL N N 77 118.411 118.411 117.303 1.108 19433 4198 1 9 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.498 -0.105 19433 4199 1 9 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.796 -2.351 19433 4200 1 9 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.434 -2.222 19433 4201 1 9 . 1 1 77 77 VAL H H 77 8.583 8.583 8.126 0.457 19433 4202 1 9 . 1 1 78 78 GLY N N 78 111.284 111.284 108.514 2.770 19433 4203 1 9 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.611 -2.613 19433 4204 1 9 . 1 1 78 78 GLY H H 78 8.218 8.218 8.265 -0.047 19433 4205 1 9 . 1 1 79 79 LYS N N 79 120.895 120.895 120.453 0.442 19433 4206 1 9 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.293 -0.016 19433 4207 1 9 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.522 -2.071 19433 4208 1 9 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.608 -2.330 19433 4209 1 9 . 1 1 79 79 LYS H H 79 8.347 8.347 8.456 -0.109 19433 4210 1 9 . 1 1 80 80 ASP N N 80 119.681 119.681 116.351 3.330 19433 4211 1 9 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.272 -0.465 19433 4212 1 9 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.338 -1.104 19433 4213 1 9 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.305 -5.281 19433 4214 1 9 . 1 1 80 80 ASP H H 80 7.993 7.993 7.660 0.333 19433 4215 1 9 . 1 1 81 81 THR N N 81 118.659 118.659 113.259 5.400 19433 4216 1 9 . 1 1 81 81 THR HA H 81 4.076 4.076 4.551 -0.475 19433 4217 1 9 . 1 1 81 81 THR CA C 81 60.371 60.371 61.242 -0.871 19433 4218 1 9 . 1 1 81 81 THR CB C 81 67.694 67.694 72.076 -4.382 19433 4219 1 9 . 1 1 81 81 THR H H 81 8.002 8.002 8.334 -0.332 19433 4220 1 9 . 1 1 82 82 ARG N N 82 127.944 127.944 122.454 5.490 19433 4221 1 9 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.336 -0.739 19433 4222 1 9 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.233 -2.062 19433 4223 1 9 . 1 1 82 82 ARG CB C 82 29.608 29.608 34.032 -4.424 19433 4224 1 9 . 1 1 82 82 ARG H H 82 8.183 8.183 8.304 -0.121 19433 4225 1 9 . 1 1 83 83 VAL N N 83 121.617 121.617 119.612 2.005 19433 4226 1 9 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.207 -0.143 19433 4227 1 9 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.704 -4.029 19433 4228 1 9 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.591 -4.276 19433 4229 1 9 . 1 1 83 83 VAL H H 83 8.639 8.639 8.469 0.170 19433 4230 1 9 . 1 1 84 84 PHE N N 84 124.702 124.702 127.232 -2.530 19433 4231 1 9 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.846 0.121 19433 4232 1 9 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.444 -0.645 19433 4233 1 9 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.319 0.369 19433 4234 1 9 . 1 1 84 84 PHE H H 84 9.198 9.198 9.013 0.185 19433 4235 1 9 . 1 1 85 85 ILE N N 85 123.027 123.027 124.909 -1.882 19433 4236 1 9 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.099 0.348 19433 4237 1 9 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.450 -4.537 19433 4238 1 9 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.406 -1.536 19433 4239 1 9 . 1 1 85 85 ILE H H 85 8.650 8.650 8.134 0.516 19433 4240 1 9 . 1 1 86 86 GLU N N 86 124.137 124.137 123.887 0.250 19433 4241 1 9 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.923 -0.348 19433 4242 1 9 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.316 -2.785 19433 4243 1 9 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.886 -1.359 19433 4244 1 9 . 1 1 86 86 GLU H H 86 8.754 8.754 8.032 0.722 19433 4245 1 9 . 1 1 87 87 LEU N N 87 120.087 120.087 120.706 -0.619 19433 4246 1 9 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.013 -0.152 19433 4247 1 9 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.588 -3.458 19433 4248 1 9 . 1 1 87 87 LEU CB C 87 41.260 41.260 42.557 -1.298 19433 4249 1 9 . 1 1 87 87 LEU H H 87 8.394 8.394 8.596 -0.202 19433 4250 1 9 . 1 1 88 88 ASP N N 88 123.072 123.072 121.641 1.431 19433 4251 1 9 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.661 -0.002 19433 4252 1 9 . 1 1 88 88 ASP CA C 88 49.219 49.219 54.204 -4.985 19433 4253 1 9 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.081 -3.974 19433 4254 1 9 . 1 1 88 88 ASP H H 88 8.770 8.770 8.450 0.320 19433 4255 1 9 . 1 1 89 89 GLU N N 89 117.437 117.437 121.363 -3.926 19433 4256 1 9 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.034 0.042 19433 4257 1 9 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.027 -3.039 19433 4258 1 9 . 1 1 89 89 GLU CB C 89 26.162 26.162 29.454 -3.292 19433 4259 1 9 . 1 1 89 89 GLU H H 89 9.033 9.033 8.824 0.209 19433 4260 1 9 . 1 1 90 90 ASN N N 90 118.824 118.824 117.103 1.721 19433 4261 1 9 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.679 0.107 19433 4262 1 9 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.407 -2.237 19433 4263 1 9 . 1 1 90 90 ASN CB C 90 36.696 36.696 38.649 -1.953 19433 4264 1 9 . 1 1 90 90 ASN H H 90 8.351 8.351 7.921 0.430 19433 4265 1 9 . 1 1 91 91 ALA N N 91 118.167 118.167 120.570 -2.403 19433 4266 1 9 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.846 -0.094 19433 4267 1 9 . 1 1 91 91 ALA CA C 91 51.255 51.255 52.919 -1.664 19433 4268 1 9 . 1 1 91 91 ALA CB C 91 13.918 13.918 16.897 -2.979 19433 4269 1 9 . 1 1 91 91 ALA H H 91 8.284 8.284 7.633 0.651 19433 4270 1 9 . 1 1 92 92 ASP N N 92 118.574 118.574 118.603 -0.029 19433 4271 1 9 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.805 0.127 19433 4272 1 9 . 1 1 92 92 ASP CA C 92 50.816 50.816 52.859 -2.043 19433 4273 1 9 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.456 -4.286 19433 4274 1 9 . 1 1 92 92 ASP H H 92 8.215 8.215 7.803 0.412 19433 4275 1 9 . 1 1 93 93 VAL N N 93 121.604 121.604 120.488 1.116 19433 4276 1 9 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.445 -0.376 19433 4277 1 9 . 1 1 93 93 VAL CA C 93 60.454 60.454 61.517 -1.063 19433 4278 1 9 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.957 -2.969 19433 4279 1 9 . 1 1 93 93 VAL H H 93 8.440 8.440 8.561 -0.121 19433 4280 1 9 . 1 1 94 94 GLN N N 94 125.344 125.344 125.061 0.283 19433 4281 1 9 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.873 -0.112 19433 4282 1 9 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.011 -2.696 19433 4283 1 9 . 1 1 94 94 GLN CB C 94 29.399 29.399 32.031 -2.632 19433 4284 1 9 . 1 1 94 94 GLN H H 94 8.958 8.958 8.641 0.317 19433 4285 1 9 . 1 1 95 95 VAL N N 95 119.370 119.370 117.675 1.695 19433 4286 1 9 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.736 0.325 19433 4287 1 9 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.609 -4.329 19433 4288 1 9 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.866 -3.940 19433 4289 1 9 . 1 1 95 95 VAL H H 95 8.420 8.420 8.443 -0.023 19433 4290 1 9 . 1 1 96 96 PHE N N 96 126.219 126.219 126.880 -0.661 19433 4291 1 9 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.140 -0.108 19433 4292 1 9 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.473 -2.583 19433 4293 1 9 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.076 -3.573 19433 4294 1 9 . 1 1 96 96 PHE H H 96 9.314 9.314 9.268 0.046 19433 4295 1 9 . 1 1 97 97 ILE N N 97 123.424 123.424 116.778 6.646 19433 4296 1 9 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.160 0.654 19433 4297 1 9 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.507 -2.441 19433 4298 1 9 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.315 -3.038 19433 4299 1 9 . 1 1 97 97 ILE H H 97 7.613 7.613 7.571 0.042 19433 4300 1 9 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.434 -0.164 19433 4301 1 9 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.895 -2.897 19433 4302 1 9 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.193 -1.536 19433 4303 1 9 . 1 1 99 99 GLN N N 99 121.028 121.028 122.466 -1.438 19433 4304 1 9 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.397 0.058 19433 4305 1 9 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.872 -2.252 19433 4306 1 9 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.807 -3.364 19433 4307 1 9 . 1 1 99 99 GLN H H 99 8.507 8.507 8.129 0.378 19433 4308 1 9 . 1 1 100 100 GLY N N 100 110.029 110.029 108.219 1.810 19433 4309 1 9 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.169 -2.541 19433 4310 1 9 . 1 1 100 100 GLY H H 100 8.356 8.356 8.223 0.133 19433 4311 1 9 . 1 1 101 101 GLU N N 101 120.385 120.385 122.420 -2.035 19433 4312 1 9 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.422 -0.131 19433 4313 1 9 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.212 -2.461 19433 4314 1 9 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.737 -0.907 19433 4315 1 9 . 1 1 101 101 GLU H H 101 8.378 8.378 8.568 -0.190 19433 4316 1 9 . 1 1 102 102 ILE N N 102 120.838 120.838 124.285 -3.447 19433 4317 1 9 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.257 -0.091 19433 4318 1 9 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.982 -2.614 19433 4319 1 9 . 1 1 102 102 ILE CB C 102 36.713 36.713 39.851 -3.138 19433 4320 1 9 . 1 1 102 102 ILE H H 102 8.168 8.168 7.746 0.422 19433 4321 1 10 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.656 -0.425 19433 4322 1 10 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.168 -1.635 19433 4323 1 10 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.046 -2.402 19433 4324 1 10 . 1 1 3 3 GLN N N 3 118.180 118.180 116.963 1.217 19433 4325 1 10 . 1 1 3 3 GLN HA H 3 4.268 4.268 3.959 0.309 19433 4326 1 10 . 1 1 3 3 GLN CB C 3 26.439 26.439 28.097 -1.658 19433 4327 1 10 . 1 1 3 3 GLN H H 3 8.579 8.579 8.321 0.258 19433 4328 1 10 . 1 1 4 4 ASP N N 4 120.328 120.328 117.313 3.015 19433 4329 1 10 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.844 -0.347 19433 4330 1 10 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.349 -2.584 19433 4331 1 10 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.675 -3.153 19433 4332 1 10 . 1 1 4 4 ASP H H 4 8.061 8.061 8.253 -0.192 19433 4333 1 10 . 1 1 5 5 GLY N N 5 109.114 109.114 108.388 0.726 19433 4334 1 10 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.044 -2.014 19433 4335 1 10 . 1 1 5 5 GLY H H 5 8.322 8.322 7.893 0.429 19433 4336 1 10 . 1 1 6 6 LYS N N 6 120.397 120.397 121.606 -1.209 19433 4337 1 10 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.421 -0.124 19433 4338 1 10 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.327 -3.008 19433 4339 1 10 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.027 -1.586 19433 4340 1 10 . 1 1 6 6 LYS H H 6 8.030 8.030 8.355 -0.325 19433 4341 1 10 . 1 1 7 7 GLU N N 7 122.113 122.113 120.008 2.105 19433 4342 1 10 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.465 -0.170 19433 4343 1 10 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.042 -2.755 19433 4344 1 10 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.387 -2.630 19433 4345 1 10 . 1 1 7 7 GLU H H 7 8.464 8.464 8.020 0.444 19433 4346 1 10 . 1 1 8 8 THR N N 8 114.459 114.459 112.090 2.369 19433 4347 1 10 . 1 1 8 8 THR HA H 8 4.543 4.543 4.808 -0.265 19433 4348 1 10 . 1 1 8 8 THR CA C 8 57.966 57.966 60.718 -2.752 19433 4349 1 10 . 1 1 8 8 THR CB C 8 68.123 68.123 70.928 -2.805 19433 4350 1 10 . 1 1 8 8 THR H H 8 7.984 7.984 7.743 0.241 19433 4351 1 10 . 1 1 9 9 THR N N 9 116.229 116.229 117.413 -1.184 19433 4352 1 10 . 1 1 9 9 THR HA H 9 4.584 4.584 4.528 0.056 19433 4353 1 10 . 1 1 9 9 THR CA C 9 58.575 58.575 61.920 -3.345 19433 4354 1 10 . 1 1 9 9 THR CB C 9 67.866 67.866 69.367 -1.501 19433 4355 1 10 . 1 1 9 9 THR H H 9 8.140 8.140 8.389 -0.249 19433 4356 1 10 . 1 1 10 10 THR N N 10 118.509 118.509 118.407 0.102 19433 4357 1 10 . 1 1 10 10 THR HA H 10 4.563 4.563 4.807 -0.244 19433 4358 1 10 . 1 1 10 10 THR CA C 10 59.364 59.364 61.558 -2.194 19433 4359 1 10 . 1 1 10 10 THR CB C 10 68.411 68.411 70.640 -2.229 19433 4360 1 10 . 1 1 10 10 THR H H 10 8.544 8.544 7.986 0.558 19433 4361 1 10 . 1 1 11 11 ILE N N 11 126.772 126.772 121.138 5.634 19433 4362 1 10 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.573 -0.548 19433 4363 1 10 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.021 -1.698 19433 4364 1 10 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.725 -5.385 19433 4365 1 10 . 1 1 11 11 ILE H H 11 8.595 8.595 8.348 0.247 19433 4366 1 10 . 1 1 12 12 ARG N N 12 125.922 125.922 123.827 2.095 19433 4367 1 10 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.832 0.161 19433 4368 1 10 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.544 -3.654 19433 4369 1 10 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.996 -3.032 19433 4370 1 10 . 1 1 12 12 ARG H H 12 8.031 8.031 7.965 0.066 19433 4371 1 10 . 1 1 13 13 LEU N N 13 126.771 126.771 125.966 0.805 19433 4372 1 10 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.651 0.292 19433 4373 1 10 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.255 -3.629 19433 4374 1 10 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.148 -2.115 19433 4375 1 10 . 1 1 13 13 LEU H H 13 8.828 8.828 9.081 -0.253 19433 4376 1 10 . 1 1 14 14 ILE N N 14 123.438 123.438 120.377 3.061 19433 4377 1 10 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.692 -0.515 19433 4378 1 10 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.427 -1.913 19433 4379 1 10 . 1 1 14 14 ILE CB C 14 38.667 38.667 41.609 -2.942 19433 4380 1 10 . 1 1 14 14 ILE H H 14 8.847 8.847 8.407 0.440 19433 4381 1 10 . 1 1 15 15 ASN N N 15 123.130 123.130 123.337 -0.207 19433 4382 1 10 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.937 -0.057 19433 4383 1 10 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.053 -2.385 19433 4384 1 10 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.602 -3.781 19433 4385 1 10 . 1 1 15 15 ASN H H 15 8.446 8.446 8.878 -0.432 19433 4386 1 10 . 1 1 16 16 GLN N N 16 125.061 125.061 122.115 2.946 19433 4387 1 10 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.579 0.952 19433 4388 1 10 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.714 -2.554 19433 4389 1 10 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.804 0.100 19433 4390 1 10 . 1 1 16 16 GLN H H 16 9.063 9.063 7.768 1.295 19433 4391 1 10 . 1 1 17 17 THR N N 17 110.936 110.936 110.378 0.558 19433 4392 1 10 . 1 1 17 17 THR HA H 17 4.415 4.415 4.483 -0.068 19433 4393 1 10 . 1 1 17 17 THR CA C 17 58.240 58.240 58.943 -0.703 19433 4394 1 10 . 1 1 17 17 THR CB C 17 67.913 67.913 70.007 -2.094 19433 4395 1 10 . 1 1 17 17 THR H H 17 7.765 7.765 7.757 0.008 19433 4396 1 10 . 1 1 18 18 TYR N N 18 112.380 112.380 117.815 -5.435 19433 4397 1 10 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.544 -0.189 19433 4398 1 10 . 1 1 18 18 TYR CA C 18 54.029 54.029 57.530 -3.501 19433 4399 1 10 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.877 -3.309 19433 4400 1 10 . 1 1 18 18 TYR H H 18 6.950 6.950 8.441 -1.491 19433 4401 1 10 . 1 1 19 19 PHE N N 19 119.710 119.710 114.955 4.755 19433 4402 1 10 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.583 0.413 19433 4403 1 10 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.622 -2.612 19433 4404 1 10 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.796 -1.325 19433 4405 1 10 . 1 1 19 19 PHE H H 19 8.014 8.014 6.728 1.286 19433 4406 1 10 . 1 1 20 20 ASN N N 20 117.921 117.921 117.337 0.584 19433 4407 1 10 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.454 -0.765 19433 4408 1 10 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.127 -0.090 19433 4409 1 10 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.289 -4.983 19433 4410 1 10 . 1 1 20 20 ASN H H 20 8.724 8.724 8.416 0.308 19433 4411 1 10 . 1 1 21 21 VAL N N 21 115.311 115.311 117.048 -1.737 19433 4412 1 10 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.998 -0.114 19433 4413 1 10 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.995 -2.494 19433 4414 1 10 . 1 1 21 21 VAL CB C 21 31.845 31.845 34.919 -3.075 19433 4415 1 10 . 1 1 21 21 VAL H H 21 8.186 8.186 8.644 -0.458 19433 4416 1 10 . 1 1 22 22 LYS N N 22 119.772 119.772 121.836 -2.064 19433 4417 1 10 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.746 0.256 19433 4418 1 10 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.925 -4.392 19433 4419 1 10 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.347 0.918 19433 4420 1 10 . 1 1 22 22 LYS H H 22 9.331 9.331 8.180 1.151 19433 4421 1 10 . 1 1 23 23 ASN N N 23 116.781 116.781 115.400 1.381 19433 4422 1 10 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.767 -0.564 19433 4423 1 10 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.759 -1.826 19433 4424 1 10 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.873 -4.353 19433 4425 1 10 . 1 1 23 23 ASN H H 23 8.573 8.573 8.110 0.463 19433 4426 1 10 . 1 1 24 24 ILE N N 24 118.303 118.303 121.865 -3.562 19433 4427 1 10 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.069 0.675 19433 4428 1 10 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.193 -3.649 19433 4429 1 10 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.876 -1.640 19433 4430 1 10 . 1 1 24 24 ILE H H 24 8.329 8.329 8.149 0.180 19433 4431 1 10 . 1 1 25 25 LYS N N 25 129.189 129.189 128.863 0.326 19433 4432 1 10 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.903 -0.017 19433 4433 1 10 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.898 -2.137 19433 4434 1 10 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.406 -1.759 19433 4435 1 10 . 1 1 25 25 LYS H H 25 9.102 9.102 8.872 0.230 19433 4436 1 10 . 1 1 26 26 VAL N N 26 129.283 129.283 128.034 1.249 19433 4437 1 10 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.521 0.445 19433 4438 1 10 . 1 1 26 26 VAL CA C 26 58.099 58.099 61.437 -3.338 19433 4439 1 10 . 1 1 26 26 VAL CB C 26 31.370 31.370 34.125 -2.755 19433 4440 1 10 . 1 1 26 26 VAL H H 26 9.057 9.057 8.723 0.334 19433 4441 1 10 . 1 1 27 27 THR N N 27 120.185 120.185 121.275 -1.090 19433 4442 1 10 . 1 1 27 27 THR HA H 27 5.542 5.542 5.093 0.449 19433 4443 1 10 . 1 1 27 27 THR CA C 27 56.977 56.977 61.789 -4.812 19433 4444 1 10 . 1 1 27 27 THR CB C 27 68.220 68.220 71.503 -3.283 19433 4445 1 10 . 1 1 27 27 THR H H 27 9.177 9.177 8.776 0.401 19433 4446 1 10 . 1 1 28 28 TRP N N 28 123.046 123.046 122.014 1.032 19433 4447 1 10 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.293 0.097 19433 4448 1 10 . 1 1 28 28 TRP CA C 28 53.617 53.617 56.157 -2.540 19433 4449 1 10 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.745 -0.783 19433 4450 1 10 . 1 1 28 28 TRP H H 28 8.787 8.787 8.147 0.640 19433 4451 1 10 . 1 1 29 29 ASN N N 29 116.792 116.792 117.277 -0.485 19433 4452 1 10 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.757 -1.341 19433 4453 1 10 . 1 1 29 29 ASN CA C 29 51.265 51.265 53.206 -1.941 19433 4454 1 10 . 1 1 29 29 ASN CB C 29 34.179 34.179 40.711 -6.532 19433 4455 1 10 . 1 1 29 29 ASN H H 29 8.193 8.193 7.882 0.311 19433 4456 1 10 . 1 1 30 30 ASP N N 30 118.710 118.710 119.912 -1.202 19433 4457 1 10 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.796 -0.279 19433 4458 1 10 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.743 -3.281 19433 4459 1 10 . 1 1 30 30 ASP CB C 30 36.498 36.498 41.300 -4.803 19433 4460 1 10 . 1 1 30 30 ASP H H 30 8.937 8.937 8.564 0.373 19433 4461 1 10 . 1 1 31 31 GLY N N 31 106.542 106.542 107.866 -1.324 19433 4462 1 10 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.404 -1.938 19433 4463 1 10 . 1 1 31 31 GLY H H 31 7.594 7.594 8.118 -0.524 19433 4464 1 10 . 1 1 32 32 LYS N N 32 121.904 121.904 123.092 -1.188 19433 4465 1 10 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.278 -0.389 19433 4466 1 10 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.116 -2.291 19433 4467 1 10 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.624 -3.494 19433 4468 1 10 . 1 1 32 32 LYS H H 32 7.510 7.510 7.806 -0.296 19433 4469 1 10 . 1 1 33 33 GLU N N 33 119.124 119.124 122.040 -2.916 19433 4470 1 10 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.904 0.376 19433 4471 1 10 . 1 1 33 33 GLU CA C 33 52.331 52.331 53.981 -1.650 19433 4472 1 10 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.136 -1.427 19433 4473 1 10 . 1 1 33 33 GLU H H 33 7.843 7.843 7.859 -0.016 19433 4474 1 10 . 1 1 34 34 GLN N N 34 123.230 123.230 117.688 5.542 19433 4475 1 10 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.706 -0.283 19433 4476 1 10 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.694 -2.397 19433 4477 1 10 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.707 -1.465 19433 4478 1 10 . 1 1 34 34 GLN H H 34 9.114 9.114 8.862 0.252 19433 4479 1 10 . 1 1 35 35 THR N N 35 119.194 119.194 114.354 4.840 19433 4480 1 10 . 1 1 35 35 THR HA H 35 5.241 5.241 5.154 0.087 19433 4481 1 10 . 1 1 35 35 THR CA C 35 58.075 58.075 59.789 -1.714 19433 4482 1 10 . 1 1 35 35 THR CB C 35 67.936 67.936 70.477 -2.541 19433 4483 1 10 . 1 1 35 35 THR H H 35 8.397 8.397 8.225 0.172 19433 4484 1 10 . 1 1 36 36 VAL N N 36 126.317 126.317 125.804 0.513 19433 4485 1 10 . 1 1 36 36 VAL HA H 36 4.166 4.166 3.929 0.237 19433 4486 1 10 . 1 1 36 36 VAL CA C 36 58.296 58.296 62.326 -4.030 19433 4487 1 10 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.607 -0.822 19433 4488 1 10 . 1 1 36 36 VAL H H 36 8.976 8.976 8.184 0.792 19433 4489 1 10 . 1 1 37 37 ASN N N 37 126.536 126.536 119.361 7.175 19433 4490 1 10 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.646 -0.284 19433 4491 1 10 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.390 -0.296 19433 4492 1 10 . 1 1 37 37 ASN CB C 37 35.754 35.754 39.041 -3.287 19433 4493 1 10 . 1 1 37 37 ASN H H 37 8.974 8.974 8.626 0.348 19433 4494 1 10 . 1 1 38 38 THR N N 38 112.460 112.460 112.088 0.372 19433 4495 1 10 . 1 1 38 38 THR HA H 38 4.850 4.850 4.712 0.138 19433 4496 1 10 . 1 1 38 38 THR CA C 38 58.536 58.536 61.999 -3.463 19433 4497 1 10 . 1 1 38 38 THR CB C 38 69.085 69.085 71.615 -2.530 19433 4498 1 10 . 1 1 38 38 THR H H 38 7.762 7.762 7.682 0.080 19433 4499 1 10 . 1 1 39 39 LEU N N 39 126.316 126.316 125.127 1.189 19433 4500 1 10 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.658 -0.115 19433 4501 1 10 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.310 -1.525 19433 4502 1 10 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.225 -2.884 19433 4503 1 10 . 1 1 39 39 LEU H H 39 8.572 8.572 9.244 -0.672 19433 4504 1 10 . 1 1 40 40 GLY N N 40 116.669 116.669 112.655 4.014 19433 4505 1 10 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.303 -2.038 19433 4506 1 10 . 1 1 40 40 GLY H H 40 9.303 9.303 8.156 1.147 19433 4507 1 10 . 1 1 41 41 SER N N 41 113.384 113.384 116.151 -2.767 19433 4508 1 10 . 1 1 41 41 SER HA H 41 3.612 3.612 4.156 -0.544 19433 4509 1 10 . 1 1 41 41 SER CA C 41 56.211 56.211 59.563 -3.352 19433 4510 1 10 . 1 1 41 41 SER CB C 41 60.482 60.482 63.467 -2.985 19433 4511 1 10 . 1 1 41 41 SER H H 41 7.883 7.883 8.366 -0.483 19433 4512 1 10 . 1 1 42 42 HIS N N 42 120.045 120.045 119.959 0.086 19433 4513 1 10 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.212 0.220 19433 4514 1 10 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.433 -3.429 19433 4515 1 10 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.477 -5.032 19433 4516 1 10 . 1 1 42 42 HIS H H 42 7.882 7.882 8.861 -0.979 19433 4517 1 10 . 1 1 43 43 ASP N N 43 119.308 119.308 119.065 0.243 19433 4518 1 10 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.756 0.281 19433 4519 1 10 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.705 -4.627 19433 4520 1 10 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.601 -1.892 19433 4521 1 10 . 1 1 43 43 ASP H H 43 7.906 7.906 7.704 0.202 19433 4522 1 10 . 1 1 44 44 SER N N 44 111.544 111.544 112.635 -1.091 19433 4523 1 10 . 1 1 44 44 SER HA H 44 5.617 5.617 5.264 0.353 19433 4524 1 10 . 1 1 44 44 SER CA C 44 53.597 53.597 56.869 -3.272 19433 4525 1 10 . 1 1 44 44 SER CB C 44 65.207 65.207 66.724 -1.517 19433 4526 1 10 . 1 1 44 44 SER H H 44 8.396 8.396 8.308 0.088 19433 4527 1 10 . 1 1 45 45 ILE N N 45 119.898 119.898 120.618 -0.720 19433 4528 1 10 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.591 -0.081 19433 4529 1 10 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.613 -3.573 19433 4530 1 10 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.160 -2.914 19433 4531 1 10 . 1 1 45 45 ILE H H 45 8.726 8.726 9.058 -0.332 19433 4532 1 10 . 1 1 46 46 ASP N N 46 123.866 123.866 126.240 -2.374 19433 4533 1 10 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.515 0.006 19433 4534 1 10 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.234 -2.861 19433 4535 1 10 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.910 -2.098 19433 4536 1 10 . 1 1 46 46 ASP H H 46 7.891 7.891 8.294 -0.403 19433 4537 1 10 . 1 1 47 47 PHE N N 47 116.649 116.649 116.370 0.279 19433 4538 1 10 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.780 -0.007 19433 4539 1 10 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.751 -2.663 19433 4540 1 10 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.403 -3.663 19433 4541 1 10 . 1 1 47 47 PHE H H 47 8.654 8.654 8.257 0.397 19433 4542 1 10 . 1 1 48 48 SER N N 48 114.033 114.033 117.621 -3.588 19433 4543 1 10 . 1 1 48 48 SER HA H 48 4.729 4.729 4.375 0.354 19433 4544 1 10 . 1 1 48 48 SER CA C 48 49.403 49.403 58.787 -9.384 19433 4545 1 10 . 1 1 48 48 SER CB C 48 61.957 61.957 63.560 -1.603 19433 4546 1 10 . 1 1 48 48 SER H H 48 8.667 8.667 8.498 0.169 19433 4547 1 10 . 1 1 49 49 SER N N 49 119.169 119.169 123.081 -3.912 19433 4548 1 10 . 1 1 49 49 SER HA H 49 4.357 4.357 4.665 -0.308 19433 4549 1 10 . 1 1 49 49 SER CA C 49 55.003 55.003 57.729 -2.726 19433 4550 1 10 . 1 1 49 49 SER CB C 49 61.708 61.708 63.718 -2.010 19433 4551 1 10 . 1 1 49 49 SER H H 49 8.644 8.644 8.726 -0.082 19433 4552 1 10 . 1 1 50 50 ASP N N 50 120.389 120.389 121.001 -0.612 19433 4553 1 10 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.870 -0.425 19433 4554 1 10 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.435 -2.003 19433 4555 1 10 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.231 -2.110 19433 4556 1 10 . 1 1 50 50 ASP H H 50 8.743 8.743 9.252 -0.508 19433 4557 1 10 . 1 1 51 51 ALA N N 51 120.149 120.149 121.387 -1.238 19433 4558 1 10 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.560 0.066 19433 4559 1 10 . 1 1 51 51 ALA CA C 51 48.702 48.702 52.339 -3.637 19433 4560 1 10 . 1 1 51 51 ALA CB C 51 19.196 19.196 20.718 -1.522 19433 4561 1 10 . 1 1 51 51 ALA H H 51 8.178 8.178 8.075 0.103 19433 4562 1 10 . 1 1 52 52 GLY N N 52 106.575 106.575 108.796 -2.221 19433 4563 1 10 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.618 -2.751 19433 4564 1 10 . 1 1 52 52 GLY H H 52 8.465 8.465 8.756 -0.291 19433 4565 1 10 . 1 1 53 53 SER N N 53 111.247 111.247 117.989 -6.742 19433 4566 1 10 . 1 1 53 53 SER HA H 53 4.371 4.371 4.658 -0.287 19433 4567 1 10 . 1 1 53 53 SER CA C 53 55.270 55.270 57.055 -1.785 19433 4568 1 10 . 1 1 53 53 SER CB C 53 61.515 61.515 66.315 -4.800 19433 4569 1 10 . 1 1 53 53 SER H H 53 7.606 7.606 7.706 -0.100 19433 4570 1 10 . 1 1 54 54 VAL N N 54 124.481 124.481 119.347 5.134 19433 4571 1 10 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.198 0.108 19433 4572 1 10 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.671 -1.896 19433 4573 1 10 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.944 -6.251 19433 4574 1 10 . 1 1 54 54 VAL H H 54 8.587 8.587 8.535 0.052 19433 4575 1 10 . 1 1 55 55 TYR N N 55 122.616 122.616 115.874 6.742 19433 4576 1 10 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.226 -0.045 19433 4577 1 10 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.548 -1.866 19433 4578 1 10 . 1 1 55 55 TYR CB C 55 36.877 36.877 40.136 -3.259 19433 4579 1 10 . 1 1 55 55 TYR H H 55 8.586 8.586 8.634 -0.048 19433 4580 1 10 . 1 1 56 56 LYS N N 56 121.197 121.197 118.499 2.698 19433 4581 1 10 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.023 -0.267 19433 4582 1 10 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.498 -2.092 19433 4583 1 10 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.583 -4.110 19433 4584 1 10 . 1 1 56 56 LYS H H 56 7.276 7.276 7.584 -0.308 19433 4585 1 10 . 1 1 57 57 MET N N 57 122.040 122.040 119.970 2.070 19433 4586 1 10 . 1 1 57 57 MET HA H 57 5.440 5.440 5.154 0.286 19433 4587 1 10 . 1 1 57 57 MET CA C 57 52.893 52.893 55.849 -2.956 19433 4588 1 10 . 1 1 57 57 MET CB C 57 35.646 35.646 37.839 -2.193 19433 4589 1 10 . 1 1 57 57 MET H H 57 8.637 8.637 9.265 -0.628 19433 4590 1 10 . 1 1 58 58 ASP N N 58 125.086 125.086 127.123 -2.037 19433 4591 1 10 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.153 0.587 19433 4592 1 10 . 1 1 58 58 ASP CA C 58 50.784 50.784 54.000 -3.216 19433 4593 1 10 . 1 1 58 58 ASP CB C 58 42.339 42.339 41.961 0.378 19433 4594 1 10 . 1 1 58 58 ASP H H 58 9.367 9.367 8.334 1.033 19433 4595 1 10 . 1 1 59 59 VAL N N 59 120.817 120.817 121.753 -0.936 19433 4596 1 10 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.454 0.604 19433 4597 1 10 . 1 1 59 59 VAL CA C 59 58.103 58.103 61.443 -3.340 19433 4598 1 10 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.822 -0.040 19433 4599 1 10 . 1 1 59 59 VAL H H 59 8.890 8.890 8.356 0.534 19433 4600 1 10 . 1 1 60 60 THR N N 60 120.028 120.028 120.079 -0.051 19433 4601 1 10 . 1 1 60 60 THR HA H 60 5.125 5.125 5.015 0.110 19433 4602 1 10 . 1 1 60 60 THR CA C 60 56.923 56.923 60.387 -3.464 19433 4603 1 10 . 1 1 60 60 THR CB C 60 68.946 68.946 70.123 -1.177 19433 4604 1 10 . 1 1 60 60 THR H H 60 8.578 8.578 8.769 -0.191 19433 4605 1 10 . 1 1 61 61 GLY N N 61 108.812 108.812 113.262 -4.450 19433 4606 1 10 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.661 -1.467 19433 4607 1 10 . 1 1 61 61 GLY H H 61 7.330 7.330 8.158 -0.828 19433 4608 1 10 . 1 1 62 62 THR N N 62 111.342 111.342 115.545 -4.203 19433 4609 1 10 . 1 1 62 62 THR HA H 62 5.333 5.333 5.376 -0.043 19433 4610 1 10 . 1 1 62 62 THR CA C 62 57.514 57.514 60.538 -3.025 19433 4611 1 10 . 1 1 62 62 THR CB C 62 69.348 69.348 71.960 -2.612 19433 4612 1 10 . 1 1 62 62 THR H H 62 8.013 8.013 7.979 0.034 19433 4613 1 10 . 1 1 63 63 THR N N 63 115.003 115.003 115.981 -0.978 19433 4614 1 10 . 1 1 63 63 THR HA H 63 4.751 4.751 4.471 0.280 19433 4615 1 10 . 1 1 63 63 THR CA C 63 58.700 58.700 60.340 -1.640 19433 4616 1 10 . 1 1 63 63 THR CB C 63 68.654 68.654 70.339 -1.685 19433 4617 1 10 . 1 1 63 63 THR H H 63 9.432 9.432 8.863 0.569 19433 4618 1 10 . 1 1 64 64 GLN N N 64 120.671 120.671 122.048 -1.377 19433 4619 1 10 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.026 -0.184 19433 4620 1 10 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.303 -2.030 19433 4621 1 10 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.392 -2.306 19433 4622 1 10 . 1 1 64 64 GLN H H 64 8.037 8.037 8.687 -0.650 19433 4623 1 10 . 1 1 65 65 SER N N 65 110.096 110.096 112.183 -2.087 19433 4624 1 10 . 1 1 65 65 SER HA H 65 4.351 4.351 4.298 0.053 19433 4625 1 10 . 1 1 65 65 SER CA C 65 55.577 55.577 58.254 -2.677 19433 4626 1 10 . 1 1 65 65 SER CB C 65 60.350 60.350 63.322 -2.973 19433 4627 1 10 . 1 1 65 65 SER H H 65 7.670 7.670 7.947 -0.277 19433 4628 1 10 . 1 1 66 66 GLY N N 66 109.466 109.466 108.567 0.899 19433 4629 1 10 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.047 -2.397 19433 4630 1 10 . 1 1 66 66 GLY H H 66 7.810 7.810 7.619 0.191 19433 4631 1 10 . 1 1 67 67 GLU N N 67 121.149 121.149 119.388 1.761 19433 4632 1 10 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.530 -0.227 19433 4633 1 10 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.188 -1.269 19433 4634 1 10 . 1 1 67 67 GLU CB C 67 27.030 27.030 32.345 -5.315 19433 4635 1 10 . 1 1 67 67 GLU H H 67 7.518 7.518 7.832 -0.314 19433 4636 1 10 . 1 1 68 68 LYS N N 68 124.553 124.553 123.592 0.961 19433 4637 1 10 . 1 1 68 68 LYS HA H 68 4.886 4.886 5.172 -0.286 19433 4638 1 10 . 1 1 68 68 LYS CA C 68 53.002 53.002 54.998 -1.996 19433 4639 1 10 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.615 -3.116 19433 4640 1 10 . 1 1 68 68 LYS H H 68 8.631 8.631 8.425 0.206 19433 4641 1 10 . 1 1 69 69 PHE N N 69 119.363 119.363 122.775 -3.412 19433 4642 1 10 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.005 0.157 19433 4643 1 10 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.731 -3.121 19433 4644 1 10 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.161 -1.630 19433 4645 1 10 . 1 1 69 69 PHE H H 69 8.180 8.180 8.689 -0.509 19433 4646 1 10 . 1 1 70 70 THR N N 70 113.468 113.468 112.131 1.337 19433 4647 1 10 . 1 1 70 70 THR HA H 70 5.331 5.331 4.737 0.594 19433 4648 1 10 . 1 1 70 70 THR CA C 70 57.694 57.694 60.166 -2.472 19433 4649 1 10 . 1 1 70 70 THR CB C 70 69.969 69.969 71.827 -1.858 19433 4650 1 10 . 1 1 70 70 THR H H 70 8.623 8.623 8.267 0.356 19433 4651 1 10 . 1 1 71 71 GLY N N 71 110.469 110.469 110.292 0.177 19433 4652 1 10 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.545 -1.787 19433 4653 1 10 . 1 1 71 71 GLY H H 71 8.955 8.955 8.331 0.624 19433 4654 1 10 . 1 1 72 72 HIS N N 72 121.565 121.565 124.008 -2.443 19433 4655 1 10 . 1 1 72 72 HIS HA H 72 5.286 5.286 5.211 0.075 19433 4656 1 10 . 1 1 72 72 HIS CA C 72 51.920 51.920 55.273 -3.353 19433 4657 1 10 . 1 1 72 72 HIS CB C 72 28.409 28.409 29.240 -0.831 19433 4658 1 10 . 1 1 72 72 HIS H H 72 8.162 8.162 7.769 0.393 19433 4659 1 10 . 1 1 73 73 PHE N N 73 122.114 122.114 124.954 -2.840 19433 4660 1 10 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.896 0.098 19433 4661 1 10 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.378 -3.376 19433 4662 1 10 . 1 1 73 73 PHE CB C 73 40.278 40.278 43.386 -3.108 19433 4663 1 10 . 1 1 73 73 PHE H H 73 9.117 9.117 9.193 -0.076 19433 4664 1 10 . 1 1 74 74 LYS N N 74 122.834 122.834 120.759 2.075 19433 4665 1 10 . 1 1 74 74 LYS HA H 74 4.876 4.876 5.088 -0.212 19433 4666 1 10 . 1 1 74 74 LYS CA C 74 52.801 52.801 54.811 -2.010 19433 4667 1 10 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.450 -3.709 19433 4668 1 10 . 1 1 74 74 LYS H H 74 8.889 8.889 8.464 0.425 19433 4669 1 10 . 1 1 75 75 GLY N N 75 109.821 109.821 108.204 1.617 19433 4670 1 10 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.795 -1.560 19433 4671 1 10 . 1 1 75 75 GLY H H 75 8.418 8.418 8.433 -0.015 19433 4672 1 10 . 1 1 76 76 LEU N N 76 119.557 119.557 120.670 -1.113 19433 4673 1 10 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.858 -0.518 19433 4674 1 10 . 1 1 76 76 LEU CA C 76 52.374 52.374 53.712 -1.339 19433 4675 1 10 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.419 -3.760 19433 4676 1 10 . 1 1 76 76 LEU H H 76 7.893 7.893 7.754 0.139 19433 4677 1 10 . 1 1 77 77 VAL N N 77 118.411 118.411 119.086 -0.675 19433 4678 1 10 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.507 -0.114 19433 4679 1 10 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.232 -1.787 19433 4680 1 10 . 1 1 77 77 VAL CB C 77 32.212 32.212 33.770 -1.558 19433 4681 1 10 . 1 1 77 77 VAL H H 77 8.583 8.583 8.020 0.563 19433 4682 1 10 . 1 1 78 78 GLY N N 78 111.284 111.284 109.908 1.376 19433 4683 1 10 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.573 -2.575 19433 4684 1 10 . 1 1 78 78 GLY H H 78 8.218 8.218 8.261 -0.043 19433 4685 1 10 . 1 1 79 79 LYS N N 79 120.895 120.895 122.030 -1.135 19433 4686 1 10 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.424 -0.147 19433 4687 1 10 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.875 -1.424 19433 4688 1 10 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.586 -2.309 19433 4689 1 10 . 1 1 79 79 LYS H H 79 8.347 8.347 8.346 0.001 19433 4690 1 10 . 1 1 80 80 ASP N N 80 119.681 119.681 116.492 3.189 19433 4691 1 10 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.463 -0.656 19433 4692 1 10 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.651 -1.417 19433 4693 1 10 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.706 -4.682 19433 4694 1 10 . 1 1 80 80 ASP H H 80 7.993 7.993 7.574 0.419 19433 4695 1 10 . 1 1 81 81 THR N N 81 118.659 118.659 113.067 5.592 19433 4696 1 10 . 1 1 81 81 THR HA H 81 4.076 4.076 4.618 -0.542 19433 4697 1 10 . 1 1 81 81 THR CA C 81 60.371 60.371 61.269 -0.898 19433 4698 1 10 . 1 1 81 81 THR CB C 81 67.694 67.694 71.557 -3.863 19433 4699 1 10 . 1 1 81 81 THR H H 81 8.002 8.002 7.820 0.182 19433 4700 1 10 . 1 1 82 82 ARG N N 82 127.944 127.944 118.805 9.139 19433 4701 1 10 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.003 -0.406 19433 4702 1 10 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.607 -2.436 19433 4703 1 10 . 1 1 82 82 ARG CB C 82 29.608 29.608 32.989 -3.381 19433 4704 1 10 . 1 1 82 82 ARG H H 82 8.183 8.183 8.275 -0.092 19433 4705 1 10 . 1 1 83 83 VAL N N 83 121.617 121.617 118.044 3.573 19433 4706 1 10 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.201 -0.137 19433 4707 1 10 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.637 -3.962 19433 4708 1 10 . 1 1 83 83 VAL CB C 83 30.315 30.315 35.368 -5.053 19433 4709 1 10 . 1 1 83 83 VAL H H 83 8.639 8.639 8.285 0.354 19433 4710 1 10 . 1 1 84 84 PHE N N 84 124.702 124.702 126.494 -1.792 19433 4711 1 10 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.774 0.193 19433 4712 1 10 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.671 -0.872 19433 4713 1 10 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.359 0.329 19433 4714 1 10 . 1 1 84 84 PHE H H 84 9.198 9.198 8.947 0.251 19433 4715 1 10 . 1 1 85 85 ILE N N 85 123.027 123.027 124.784 -1.757 19433 4716 1 10 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.176 0.271 19433 4717 1 10 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.720 -4.807 19433 4718 1 10 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.783 -1.913 19433 4719 1 10 . 1 1 85 85 ILE H H 85 8.650 8.650 7.955 0.695 19433 4720 1 10 . 1 1 86 86 GLU N N 86 124.137 124.137 123.860 0.277 19433 4721 1 10 . 1 1 86 86 GLU HA H 86 4.575 4.575 5.059 -0.484 19433 4722 1 10 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.232 -2.701 19433 4723 1 10 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.955 -1.428 19433 4724 1 10 . 1 1 86 86 GLU H H 86 8.754 8.754 7.933 0.821 19433 4725 1 10 . 1 1 87 87 LEU N N 87 120.087 120.087 119.746 0.341 19433 4726 1 10 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.355 -0.494 19433 4727 1 10 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.898 -2.768 19433 4728 1 10 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.127 -2.867 19433 4729 1 10 . 1 1 87 87 LEU H H 87 8.394 8.394 8.449 -0.055 19433 4730 1 10 . 1 1 88 88 ASP N N 88 123.072 123.072 119.612 3.460 19433 4731 1 10 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.803 -0.144 19433 4732 1 10 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.067 -3.848 19433 4733 1 10 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.221 -4.114 19433 4734 1 10 . 1 1 88 88 ASP H H 88 8.770 8.770 8.669 0.101 19433 4735 1 10 . 1 1 89 89 GLU N N 89 117.437 117.437 117.432 0.005 19433 4736 1 10 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.004 0.072 19433 4737 1 10 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.319 -3.331 19433 4738 1 10 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.539 -2.377 19433 4739 1 10 . 1 1 89 89 GLU H H 89 9.033 9.033 8.793 0.240 19433 4740 1 10 . 1 1 90 90 ASN N N 90 118.824 118.824 121.525 -2.701 19433 4741 1 10 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.781 0.005 19433 4742 1 10 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.886 -2.716 19433 4743 1 10 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.176 -2.481 19433 4744 1 10 . 1 1 90 90 ASN H H 90 8.351 8.351 8.422 -0.071 19433 4745 1 10 . 1 1 91 91 ALA N N 91 118.167 118.167 122.197 -4.030 19433 4746 1 10 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.864 -0.112 19433 4747 1 10 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.308 -2.053 19433 4748 1 10 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.432 -3.514 19433 4749 1 10 . 1 1 91 91 ALA H H 91 8.284 8.284 8.430 -0.146 19433 4750 1 10 . 1 1 92 92 ASP N N 92 118.574 118.574 117.533 1.041 19433 4751 1 10 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.981 -0.049 19433 4752 1 10 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.066 -2.250 19433 4753 1 10 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.973 -3.803 19433 4754 1 10 . 1 1 92 92 ASP H H 92 8.215 8.215 8.213 0.002 19433 4755 1 10 . 1 1 93 93 VAL N N 93 121.604 121.604 121.233 0.371 19433 4756 1 10 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.194 -0.125 19433 4757 1 10 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.424 -2.970 19433 4758 1 10 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.825 -1.837 19433 4759 1 10 . 1 1 93 93 VAL H H 93 8.440 8.440 8.412 0.028 19433 4760 1 10 . 1 1 94 94 GLN N N 94 125.344 125.344 125.781 -0.437 19433 4761 1 10 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.833 -0.072 19433 4762 1 10 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.989 -2.675 19433 4763 1 10 . 1 1 94 94 GLN CB C 94 29.399 29.399 32.036 -2.637 19433 4764 1 10 . 1 1 94 94 GLN H H 94 8.958 8.958 8.342 0.616 19433 4765 1 10 . 1 1 95 95 VAL N N 95 119.370 119.370 119.636 -0.266 19433 4766 1 10 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.935 0.126 19433 4767 1 10 . 1 1 95 95 VAL CA C 95 57.280 57.280 60.732 -3.452 19433 4768 1 10 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.319 -3.393 19433 4769 1 10 . 1 1 95 95 VAL H H 95 8.420 8.420 8.568 -0.148 19433 4770 1 10 . 1 1 96 96 PHE N N 96 126.219 126.219 128.381 -2.162 19433 4771 1 10 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.110 -0.078 19433 4772 1 10 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.441 -2.551 19433 4773 1 10 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.212 -3.709 19433 4774 1 10 . 1 1 96 96 PHE H H 96 9.314 9.314 9.198 0.116 19433 4775 1 10 . 1 1 97 97 ILE N N 97 123.424 123.424 116.765 6.659 19433 4776 1 10 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.011 0.803 19433 4777 1 10 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.440 -2.374 19433 4778 1 10 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.277 -3.000 19433 4779 1 10 . 1 1 97 97 ILE H H 97 7.613 7.613 6.987 0.626 19433 4780 1 10 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.446 -0.176 19433 4781 1 10 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.433 -2.435 19433 4782 1 10 . 1 1 98 98 PRO CB C 98 29.657 29.657 30.777 -1.120 19433 4783 1 10 . 1 1 99 99 GLN N N 99 121.028 121.028 122.850 -1.822 19433 4784 1 10 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.479 -0.024 19433 4785 1 10 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.572 -1.952 19433 4786 1 10 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.085 -2.642 19433 4787 1 10 . 1 1 99 99 GLN H H 99 8.507 8.507 7.770 0.737 19433 4788 1 10 . 1 1 100 100 GLY N N 100 110.029 110.029 108.644 1.385 19433 4789 1 10 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.913 -3.285 19433 4790 1 10 . 1 1 100 100 GLY H H 100 8.356 8.356 8.510 -0.154 19433 4791 1 10 . 1 1 101 101 GLU N N 101 120.385 120.385 123.227 -2.842 19433 4792 1 10 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.310 -0.019 19433 4793 1 10 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.780 -3.029 19433 4794 1 10 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.249 -0.419 19433 4795 1 10 . 1 1 101 101 GLU H H 101 8.378 8.378 8.578 -0.200 19433 4796 1 10 . 1 1 102 102 ILE N N 102 120.838 120.838 122.013 -1.175 19433 4797 1 10 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.292 -0.126 19433 4798 1 10 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.478 -2.110 19433 4799 1 10 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.643 -1.930 19433 4800 1 10 . 1 1 102 102 ILE H H 102 8.168 8.168 7.839 0.329 19433 4801 1 11 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.535 -0.304 19433 4802 1 11 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.996 -1.463 19433 4803 1 11 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.482 -2.838 19433 4804 1 11 . 1 1 3 3 GLN N N 3 118.180 118.180 120.262 -2.082 19433 4805 1 11 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.288 -0.020 19433 4806 1 11 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.096 -2.657 19433 4807 1 11 . 1 1 3 3 GLN H H 3 8.579 8.579 8.616 -0.037 19433 4808 1 11 . 1 1 4 4 ASP N N 4 120.328 120.328 118.552 1.776 19433 4809 1 11 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.771 -0.274 19433 4810 1 11 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.246 -2.481 19433 4811 1 11 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.129 -1.607 19433 4812 1 11 . 1 1 4 4 ASP H H 4 8.061 8.061 7.908 0.153 19433 4813 1 11 . 1 1 5 5 GLY N N 5 109.114 109.114 108.534 0.580 19433 4814 1 11 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.791 -2.761 19433 4815 1 11 . 1 1 5 5 GLY H H 5 8.322 8.322 8.419 -0.097 19433 4816 1 11 . 1 1 6 6 LYS N N 6 120.397 120.397 121.047 -0.650 19433 4817 1 11 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.524 -0.227 19433 4818 1 11 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.276 -2.958 19433 4819 1 11 . 1 1 6 6 LYS CB C 6 30.441 30.441 34.002 -3.561 19433 4820 1 11 . 1 1 6 6 LYS H H 6 8.030 8.030 7.601 0.429 19433 4821 1 11 . 1 1 7 7 GLU N N 7 122.113 122.113 125.211 -3.098 19433 4822 1 11 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.403 -0.108 19433 4823 1 11 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.125 -2.838 19433 4824 1 11 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.361 -2.604 19433 4825 1 11 . 1 1 7 7 GLU H H 7 8.464 8.464 8.715 -0.251 19433 4826 1 11 . 1 1 8 8 THR N N 8 114.459 114.459 109.050 5.409 19433 4827 1 11 . 1 1 8 8 THR HA H 8 4.543 4.543 4.940 -0.397 19433 4828 1 11 . 1 1 8 8 THR CA C 8 57.966 57.966 59.598 -1.632 19433 4829 1 11 . 1 1 8 8 THR CB C 8 68.123 68.123 72.118 -3.995 19433 4830 1 11 . 1 1 8 8 THR H H 8 7.984 7.984 7.550 0.434 19433 4831 1 11 . 1 1 9 9 THR N N 9 116.229 116.229 112.451 3.778 19433 4832 1 11 . 1 1 9 9 THR HA H 9 4.584 4.584 5.045 -0.461 19433 4833 1 11 . 1 1 9 9 THR CA C 9 58.575 58.575 60.350 -1.775 19433 4834 1 11 . 1 1 9 9 THR CB C 9 67.866 67.866 70.719 -2.853 19433 4835 1 11 . 1 1 9 9 THR H H 9 8.140 8.140 7.990 0.150 19433 4836 1 11 . 1 1 10 10 THR N N 10 118.509 118.509 116.061 2.448 19433 4837 1 11 . 1 1 10 10 THR HA H 10 4.563 4.563 4.544 0.019 19433 4838 1 11 . 1 1 10 10 THR CA C 10 59.364 59.364 61.426 -2.062 19433 4839 1 11 . 1 1 10 10 THR CB C 10 68.411 68.411 71.005 -2.594 19433 4840 1 11 . 1 1 10 10 THR H H 10 8.544 8.544 7.977 0.567 19433 4841 1 11 . 1 1 11 11 ILE N N 11 126.772 126.772 125.318 1.454 19433 4842 1 11 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.507 -0.482 19433 4843 1 11 . 1 1 11 11 ILE CA C 11 57.323 57.323 60.076 -2.753 19433 4844 1 11 . 1 1 11 11 ILE CB C 11 36.340 36.340 40.912 -4.572 19433 4845 1 11 . 1 1 11 11 ILE H H 11 8.595 8.595 8.019 0.576 19433 4846 1 11 . 1 1 12 12 ARG N N 12 125.922 125.922 127.356 -1.434 19433 4847 1 11 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.876 0.117 19433 4848 1 11 . 1 1 12 12 ARG CA C 12 50.890 50.890 53.826 -2.936 19433 4849 1 11 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.419 -3.455 19433 4850 1 11 . 1 1 12 12 ARG H H 12 8.031 8.031 8.409 -0.378 19433 4851 1 11 . 1 1 13 13 LEU N N 13 126.771 126.771 125.864 0.907 19433 4852 1 11 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.644 0.299 19433 4853 1 11 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.111 -3.485 19433 4854 1 11 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.624 -2.591 19433 4855 1 11 . 1 1 13 13 LEU H H 13 8.828 8.828 9.117 -0.289 19433 4856 1 11 . 1 1 14 14 ILE N N 14 123.438 123.438 121.009 2.429 19433 4857 1 11 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.698 -0.521 19433 4858 1 11 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.348 -1.834 19433 4859 1 11 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.390 -1.723 19433 4860 1 11 . 1 1 14 14 ILE H H 14 8.847 8.847 9.199 -0.352 19433 4861 1 11 . 1 1 15 15 ASN N N 15 123.130 123.130 125.161 -2.031 19433 4862 1 11 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.839 0.041 19433 4863 1 11 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.605 -2.937 19433 4864 1 11 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.305 -3.484 19433 4865 1 11 . 1 1 15 15 ASN H H 15 8.446 8.446 9.028 -0.582 19433 4866 1 11 . 1 1 16 16 GLN N N 16 125.061 125.061 121.772 3.289 19433 4867 1 11 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.701 0.830 19433 4868 1 11 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.210 -3.050 19433 4869 1 11 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.937 -0.033 19433 4870 1 11 . 1 1 16 16 GLN H H 16 9.063 9.063 7.918 1.145 19433 4871 1 11 . 1 1 17 17 THR N N 17 110.936 110.936 111.384 -0.448 19433 4872 1 11 . 1 1 17 17 THR HA H 17 4.415 4.415 4.428 -0.013 19433 4873 1 11 . 1 1 17 17 THR CA C 17 58.240 58.240 59.335 -1.095 19433 4874 1 11 . 1 1 17 17 THR CB C 17 67.913 67.913 70.461 -2.548 19433 4875 1 11 . 1 1 17 17 THR H H 17 7.765 7.765 8.130 -0.365 19433 4876 1 11 . 1 1 18 18 TYR N N 18 112.380 112.380 118.703 -6.323 19433 4877 1 11 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.411 -0.056 19433 4878 1 11 . 1 1 18 18 TYR CA C 18 54.029 54.029 57.868 -3.839 19433 4879 1 11 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.998 -3.431 19433 4880 1 11 . 1 1 18 18 TYR H H 18 6.950 6.950 8.289 -1.339 19433 4881 1 11 . 1 1 19 19 PHE N N 19 119.710 119.710 113.060 6.650 19433 4882 1 11 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.539 0.457 19433 4883 1 11 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.161 -2.151 19433 4884 1 11 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.050 -1.579 19433 4885 1 11 . 1 1 19 19 PHE H H 19 8.014 8.014 6.447 1.567 19433 4886 1 11 . 1 1 20 20 ASN N N 20 117.921 117.921 117.089 0.832 19433 4887 1 11 . 1 1 20 20 ASN HA H 20 4.689 4.689 4.969 -0.280 19433 4888 1 11 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.699 -0.662 19433 4889 1 11 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.922 -4.616 19433 4890 1 11 . 1 1 20 20 ASN H H 20 8.724 8.724 8.450 0.274 19433 4891 1 11 . 1 1 21 21 VAL N N 21 115.311 115.311 119.040 -3.729 19433 4892 1 11 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.957 -0.073 19433 4893 1 11 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.571 -3.070 19433 4894 1 11 . 1 1 21 21 VAL CB C 21 31.845 31.845 36.086 -4.240 19433 4895 1 11 . 1 1 21 21 VAL H H 21 8.186 8.186 9.160 -0.974 19433 4896 1 11 . 1 1 22 22 LYS N N 22 119.772 119.772 121.260 -1.488 19433 4897 1 11 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.800 0.202 19433 4898 1 11 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.877 -4.344 19433 4899 1 11 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.233 1.032 19433 4900 1 11 . 1 1 22 22 LYS H H 22 9.331 9.331 8.295 1.036 19433 4901 1 11 . 1 1 23 23 ASN N N 23 116.781 116.781 114.396 2.385 19433 4902 1 11 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.735 -0.532 19433 4903 1 11 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.891 -1.958 19433 4904 1 11 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.461 -3.941 19433 4905 1 11 . 1 1 23 23 ASN H H 23 8.573 8.573 8.031 0.542 19433 4906 1 11 . 1 1 24 24 ILE N N 24 118.303 118.303 122.192 -3.889 19433 4907 1 11 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.528 0.216 19433 4908 1 11 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.126 -3.582 19433 4909 1 11 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.935 -2.699 19433 4910 1 11 . 1 1 24 24 ILE H H 24 8.329 8.329 7.611 0.718 19433 4911 1 11 . 1 1 25 25 LYS N N 25 129.189 129.189 126.783 2.406 19433 4912 1 11 . 1 1 25 25 LYS HA H 25 4.886 4.886 5.188 -0.302 19433 4913 1 11 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.121 -2.360 19433 4914 1 11 . 1 1 25 25 LYS CB C 25 31.647 31.647 35.718 -4.071 19433 4915 1 11 . 1 1 25 25 LYS H H 25 9.102 9.102 8.960 0.142 19433 4916 1 11 . 1 1 26 26 VAL N N 26 129.283 129.283 122.283 7.000 19433 4917 1 11 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.867 0.099 19433 4918 1 11 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.882 -1.783 19433 4919 1 11 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.391 -5.021 19433 4920 1 11 . 1 1 26 26 VAL H H 26 9.057 9.057 8.540 0.517 19433 4921 1 11 . 1 1 27 27 THR N N 27 120.185 120.185 122.319 -2.134 19433 4922 1 11 . 1 1 27 27 THR HA H 27 5.542 5.542 5.211 0.331 19433 4923 1 11 . 1 1 27 27 THR CA C 27 56.977 56.977 61.745 -4.768 19433 4924 1 11 . 1 1 27 27 THR CB C 27 68.220 68.220 71.112 -2.892 19433 4925 1 11 . 1 1 27 27 THR H H 27 9.177 9.177 8.581 0.596 19433 4926 1 11 . 1 1 28 28 TRP N N 28 123.046 123.046 123.168 -0.122 19433 4927 1 11 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.386 0.004 19433 4928 1 11 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.690 -2.073 19433 4929 1 11 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.091 -1.129 19433 4930 1 11 . 1 1 28 28 TRP H H 28 8.787 8.787 8.309 0.478 19433 4931 1 11 . 1 1 29 29 ASN N N 29 116.792 116.792 116.774 0.018 19433 4932 1 11 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.729 -1.313 19433 4933 1 11 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.681 -1.416 19433 4934 1 11 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.088 -6.909 19433 4935 1 11 . 1 1 29 29 ASN H H 29 8.193 8.193 7.550 0.643 19433 4936 1 11 . 1 1 30 30 ASP N N 30 118.710 118.710 120.936 -2.226 19433 4937 1 11 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.604 -0.087 19433 4938 1 11 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.959 -4.497 19433 4939 1 11 . 1 1 30 30 ASP CB C 30 36.498 36.498 40.917 -4.420 19433 4940 1 11 . 1 1 30 30 ASP H H 30 8.937 8.937 8.780 0.157 19433 4941 1 11 . 1 1 31 31 GLY N N 31 106.542 106.542 106.764 -0.222 19433 4942 1 11 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.136 -1.670 19433 4943 1 11 . 1 1 31 31 GLY H H 31 7.594 7.594 7.767 -0.173 19433 4944 1 11 . 1 1 32 32 LYS N N 32 121.904 121.904 121.667 0.237 19433 4945 1 11 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.408 -0.519 19433 4946 1 11 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.599 -1.774 19433 4947 1 11 . 1 1 32 32 LYS CB C 32 28.130 28.130 33.145 -5.015 19433 4948 1 11 . 1 1 32 32 LYS H H 32 7.510 7.510 7.303 0.207 19433 4949 1 11 . 1 1 33 33 GLU N N 33 119.124 119.124 123.822 -4.698 19433 4950 1 11 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.018 0.262 19433 4951 1 11 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.564 -2.233 19433 4952 1 11 . 1 1 33 33 GLU CB C 33 31.709 31.709 32.751 -1.042 19433 4953 1 11 . 1 1 33 33 GLU H H 33 7.843 7.843 8.395 -0.552 19433 4954 1 11 . 1 1 34 34 GLN N N 34 123.230 123.230 117.411 5.819 19433 4955 1 11 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.764 -0.341 19433 4956 1 11 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.880 -2.583 19433 4957 1 11 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.062 -1.820 19433 4958 1 11 . 1 1 34 34 GLN H H 34 9.114 9.114 8.665 0.449 19433 4959 1 11 . 1 1 35 35 THR N N 35 119.194 119.194 111.328 7.866 19433 4960 1 11 . 1 1 35 35 THR HA H 35 5.241 5.241 5.332 -0.091 19433 4961 1 11 . 1 1 35 35 THR CA C 35 58.075 58.075 59.593 -1.518 19433 4962 1 11 . 1 1 35 35 THR CB C 35 67.936 67.936 71.923 -3.987 19433 4963 1 11 . 1 1 35 35 THR H H 35 8.397 8.397 8.190 0.207 19433 4964 1 11 . 1 1 36 36 VAL N N 36 126.317 126.317 120.952 5.365 19433 4965 1 11 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.278 -0.112 19433 4966 1 11 . 1 1 36 36 VAL CA C 36 58.296 58.296 59.990 -1.694 19433 4967 1 11 . 1 1 36 36 VAL CB C 36 31.785 31.785 34.740 -2.955 19433 4968 1 11 . 1 1 36 36 VAL H H 36 8.976 8.976 8.347 0.629 19433 4969 1 11 . 1 1 37 37 ASN N N 37 126.536 126.536 125.103 1.433 19433 4970 1 11 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.481 -0.120 19433 4971 1 11 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.577 -0.483 19433 4972 1 11 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.688 -2.934 19433 4973 1 11 . 1 1 37 37 ASN H H 37 8.974 8.974 8.824 0.150 19433 4974 1 11 . 1 1 38 38 THR N N 38 112.460 112.460 113.161 -0.701 19433 4975 1 11 . 1 1 38 38 THR HA H 38 4.850 4.850 4.613 0.237 19433 4976 1 11 . 1 1 38 38 THR CA C 38 58.536 58.536 61.612 -3.076 19433 4977 1 11 . 1 1 38 38 THR CB C 38 69.085 69.085 71.263 -2.178 19433 4978 1 11 . 1 1 38 38 THR H H 38 7.762 7.762 7.669 0.093 19433 4979 1 11 . 1 1 39 39 LEU N N 39 126.316 126.316 126.737 -0.421 19433 4980 1 11 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.843 -0.300 19433 4981 1 11 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.806 -2.021 19433 4982 1 11 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.188 -2.847 19433 4983 1 11 . 1 1 39 39 LEU H H 39 8.572 8.572 9.248 -0.676 19433 4984 1 11 . 1 1 40 40 GLY N N 40 116.669 116.669 112.613 4.056 19433 4985 1 11 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.702 -2.437 19433 4986 1 11 . 1 1 40 40 GLY H H 40 9.303 9.303 8.228 1.075 19433 4987 1 11 . 1 1 41 41 SER N N 41 113.384 113.384 116.589 -3.205 19433 4988 1 11 . 1 1 41 41 SER HA H 41 3.612 3.612 4.218 -0.606 19433 4989 1 11 . 1 1 41 41 SER CA C 41 56.211 56.211 60.112 -3.901 19433 4990 1 11 . 1 1 41 41 SER CB C 41 60.482 60.482 62.459 -1.977 19433 4991 1 11 . 1 1 41 41 SER H H 41 7.883 7.883 8.465 -0.582 19433 4992 1 11 . 1 1 42 42 HIS N N 42 120.045 120.045 119.604 0.441 19433 4993 1 11 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.165 0.267 19433 4994 1 11 . 1 1 42 42 HIS CA C 42 55.004 55.004 57.951 -2.947 19433 4995 1 11 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.610 -5.165 19433 4996 1 11 . 1 1 42 42 HIS H H 42 7.882 7.882 9.206 -1.324 19433 4997 1 11 . 1 1 43 43 ASP N N 43 119.308 119.308 119.030 0.278 19433 4998 1 11 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.751 0.286 19433 4999 1 11 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.603 -4.525 19433 5000 1 11 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.575 -1.866 19433 5001 1 11 . 1 1 43 43 ASP H H 43 7.906 7.906 7.828 0.078 19433 5002 1 11 . 1 1 44 44 SER N N 44 111.544 111.544 113.335 -1.791 19433 5003 1 11 . 1 1 44 44 SER HA H 44 5.617 5.617 5.330 0.287 19433 5004 1 11 . 1 1 44 44 SER CA C 44 53.597 53.597 56.996 -3.399 19433 5005 1 11 . 1 1 44 44 SER CB C 44 65.207 65.207 66.540 -1.333 19433 5006 1 11 . 1 1 44 44 SER H H 44 8.396 8.396 8.384 0.012 19433 5007 1 11 . 1 1 45 45 ILE N N 45 119.898 119.898 120.033 -0.135 19433 5008 1 11 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.540 -0.030 19433 5009 1 11 . 1 1 45 45 ILE CA C 45 57.040 57.040 61.547 -4.506 19433 5010 1 11 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.286 -3.041 19433 5011 1 11 . 1 1 45 45 ILE H H 45 8.726 8.726 8.955 -0.229 19433 5012 1 11 . 1 1 46 46 ASP N N 46 123.866 123.866 127.022 -3.156 19433 5013 1 11 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.257 0.264 19433 5014 1 11 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.263 -2.890 19433 5015 1 11 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.370 -2.558 19433 5016 1 11 . 1 1 46 46 ASP H H 46 7.891 7.891 8.245 -0.354 19433 5017 1 11 . 1 1 47 47 PHE N N 47 116.649 116.649 120.288 -3.639 19433 5018 1 11 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.943 -0.170 19433 5019 1 11 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.809 -2.721 19433 5020 1 11 . 1 1 47 47 PHE CB C 47 37.740 37.740 40.963 -3.223 19433 5021 1 11 . 1 1 47 47 PHE H H 47 8.654 8.654 8.005 0.649 19433 5022 1 11 . 1 1 48 48 SER N N 48 114.033 114.033 120.174 -6.141 19433 5023 1 11 . 1 1 48 48 SER HA H 48 4.729 4.729 4.337 0.392 19433 5024 1 11 . 1 1 48 48 SER CA C 48 49.403 49.403 58.929 -9.526 19433 5025 1 11 . 1 1 48 48 SER CB C 48 61.957 61.957 63.824 -1.867 19433 5026 1 11 . 1 1 48 48 SER H H 48 8.667 8.667 8.570 0.097 19433 5027 1 11 . 1 1 49 49 SER N N 49 119.169 119.169 120.579 -1.410 19433 5028 1 11 . 1 1 49 49 SER HA H 49 4.357 4.357 4.464 -0.107 19433 5029 1 11 . 1 1 49 49 SER CA C 49 55.003 55.003 58.470 -3.467 19433 5030 1 11 . 1 1 49 49 SER CB C 49 61.708 61.708 64.275 -2.567 19433 5031 1 11 . 1 1 49 49 SER H H 49 8.644 8.644 8.320 0.324 19433 5032 1 11 . 1 1 50 50 ASP N N 50 120.389 120.389 120.101 0.288 19433 5033 1 11 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.875 -0.430 19433 5034 1 11 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.286 -1.854 19433 5035 1 11 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.855 -2.733 19433 5036 1 11 . 1 1 50 50 ASP H H 50 8.743 8.743 8.850 -0.107 19433 5037 1 11 . 1 1 51 51 ALA N N 51 120.149 120.149 120.101 0.048 19433 5038 1 11 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.639 -0.013 19433 5039 1 11 . 1 1 51 51 ALA CA C 51 48.702 48.702 52.257 -3.555 19433 5040 1 11 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.449 -2.253 19433 5041 1 11 . 1 1 51 51 ALA H H 51 8.178 8.178 7.852 0.326 19433 5042 1 11 . 1 1 52 52 GLY N N 52 106.575 106.575 108.796 -2.221 19433 5043 1 11 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.252 -3.385 19433 5044 1 11 . 1 1 52 52 GLY H H 52 8.465 8.465 8.444 0.021 19433 5045 1 11 . 1 1 53 53 SER N N 53 111.247 111.247 115.506 -4.259 19433 5046 1 11 . 1 1 53 53 SER HA H 53 4.371 4.371 4.742 -0.371 19433 5047 1 11 . 1 1 53 53 SER CA C 53 55.270 55.270 57.346 -2.076 19433 5048 1 11 . 1 1 53 53 SER CB C 53 61.515 61.515 66.642 -5.127 19433 5049 1 11 . 1 1 53 53 SER H H 53 7.606 7.606 7.847 -0.241 19433 5050 1 11 . 1 1 54 54 VAL N N 54 124.481 124.481 119.766 4.715 19433 5051 1 11 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.099 0.207 19433 5052 1 11 . 1 1 54 54 VAL CA C 54 59.775 59.775 60.942 -1.167 19433 5053 1 11 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.685 -4.992 19433 5054 1 11 . 1 1 54 54 VAL H H 54 8.587 8.587 8.282 0.305 19433 5055 1 11 . 1 1 55 55 TYR N N 55 122.616 122.616 115.999 6.617 19433 5056 1 11 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.032 0.149 19433 5057 1 11 . 1 1 55 55 TYR CA C 55 53.682 53.682 56.075 -2.393 19433 5058 1 11 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.250 -2.373 19433 5059 1 11 . 1 1 55 55 TYR H H 55 8.586 8.586 8.111 0.475 19433 5060 1 11 . 1 1 56 56 LYS N N 56 121.197 121.197 118.589 2.608 19433 5061 1 11 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.767 -0.011 19433 5062 1 11 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.644 -2.237 19433 5063 1 11 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.181 -3.708 19433 5064 1 11 . 1 1 56 56 LYS H H 56 7.276 7.276 7.511 -0.235 19433 5065 1 11 . 1 1 57 57 MET N N 57 122.040 122.040 120.859 1.181 19433 5066 1 11 . 1 1 57 57 MET HA H 57 5.440 5.440 5.215 0.225 19433 5067 1 11 . 1 1 57 57 MET CA C 57 52.893 52.893 56.037 -3.144 19433 5068 1 11 . 1 1 57 57 MET CB C 57 35.646 35.646 37.513 -1.867 19433 5069 1 11 . 1 1 57 57 MET H H 57 8.637 8.637 9.025 -0.388 19433 5070 1 11 . 1 1 58 58 ASP N N 58 125.086 125.086 128.564 -3.478 19433 5071 1 11 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.026 0.714 19433 5072 1 11 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.756 -2.972 19433 5073 1 11 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.150 -0.811 19433 5074 1 11 . 1 1 58 58 ASP H H 58 9.367 9.367 8.734 0.633 19433 5075 1 11 . 1 1 59 59 VAL N N 59 120.817 120.817 124.755 -3.938 19433 5076 1 11 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.459 0.599 19433 5077 1 11 . 1 1 59 59 VAL CA C 59 58.103 58.103 61.587 -3.484 19433 5078 1 11 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.582 0.200 19433 5079 1 11 . 1 1 59 59 VAL H H 59 8.890 8.890 8.674 0.216 19433 5080 1 11 . 1 1 60 60 THR N N 60 120.028 120.028 119.067 0.961 19433 5081 1 11 . 1 1 60 60 THR HA H 60 5.125 5.125 5.231 -0.106 19433 5082 1 11 . 1 1 60 60 THR CA C 60 56.923 56.923 61.283 -4.360 19433 5083 1 11 . 1 1 60 60 THR CB C 60 68.946 68.946 71.072 -2.126 19433 5084 1 11 . 1 1 60 60 THR H H 60 8.578 8.578 8.624 -0.046 19433 5085 1 11 . 1 1 61 61 GLY N N 61 108.812 108.812 112.683 -3.871 19433 5086 1 11 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.740 -1.546 19433 5087 1 11 . 1 1 61 61 GLY H H 61 7.330 7.330 8.134 -0.804 19433 5088 1 11 . 1 1 62 62 THR N N 62 111.342 111.342 113.694 -2.352 19433 5089 1 11 . 1 1 62 62 THR HA H 62 5.333 5.333 5.086 0.247 19433 5090 1 11 . 1 1 62 62 THR CA C 62 57.514 57.514 60.828 -3.314 19433 5091 1 11 . 1 1 62 62 THR CB C 62 69.348 69.348 72.516 -3.167 19433 5092 1 11 . 1 1 62 62 THR H H 62 8.013 8.013 7.587 0.426 19433 5093 1 11 . 1 1 63 63 THR N N 63 115.003 115.003 116.713 -1.710 19433 5094 1 11 . 1 1 63 63 THR HA H 63 4.751 4.751 4.538 0.213 19433 5095 1 11 . 1 1 63 63 THR CA C 63 58.700 58.700 60.506 -1.806 19433 5096 1 11 . 1 1 63 63 THR CB C 63 68.654 68.654 69.944 -1.290 19433 5097 1 11 . 1 1 63 63 THR H H 63 9.432 9.432 8.625 0.807 19433 5098 1 11 . 1 1 64 64 GLN N N 64 120.671 120.671 120.378 0.293 19433 5099 1 11 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.014 -0.172 19433 5100 1 11 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.514 -2.242 19433 5101 1 11 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.602 -2.516 19433 5102 1 11 . 1 1 64 64 GLN H H 64 8.037 8.037 8.368 -0.331 19433 5103 1 11 . 1 1 65 65 SER N N 65 110.096 110.096 112.466 -2.370 19433 5104 1 11 . 1 1 65 65 SER HA H 65 4.351 4.351 4.272 0.079 19433 5105 1 11 . 1 1 65 65 SER CA C 65 55.577 55.577 59.307 -3.730 19433 5106 1 11 . 1 1 65 65 SER CB C 65 60.350 60.350 63.414 -3.064 19433 5107 1 11 . 1 1 65 65 SER H H 65 7.670 7.670 7.854 -0.184 19433 5108 1 11 . 1 1 66 66 GLY N N 66 109.466 109.466 109.160 0.306 19433 5109 1 11 . 1 1 66 66 GLY CA C 66 42.650 42.650 44.867 -2.217 19433 5110 1 11 . 1 1 66 66 GLY H H 66 7.810 7.810 7.566 0.244 19433 5111 1 11 . 1 1 67 67 GLU N N 67 121.149 121.149 120.839 0.310 19433 5112 1 11 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.354 -0.051 19433 5113 1 11 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.788 -1.869 19433 5114 1 11 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.386 -4.356 19433 5115 1 11 . 1 1 67 67 GLU H H 67 7.518 7.518 7.910 -0.392 19433 5116 1 11 . 1 1 68 68 LYS N N 68 124.553 124.553 125.124 -0.571 19433 5117 1 11 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.792 0.094 19433 5118 1 11 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.132 -2.130 19433 5119 1 11 . 1 1 68 68 LYS CB C 68 31.499 31.499 33.539 -2.040 19433 5120 1 11 . 1 1 68 68 LYS H H 68 8.631 8.631 8.408 0.223 19433 5121 1 11 . 1 1 69 69 PHE N N 69 119.363 119.363 125.005 -5.642 19433 5122 1 11 . 1 1 69 69 PHE HA H 69 5.162 5.162 4.930 0.232 19433 5123 1 11 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.458 -2.848 19433 5124 1 11 . 1 1 69 69 PHE CB C 69 39.531 39.531 39.982 -0.451 19433 5125 1 11 . 1 1 69 69 PHE H H 69 8.180 8.180 8.456 -0.276 19433 5126 1 11 . 1 1 70 70 THR N N 70 113.468 113.468 112.817 0.651 19433 5127 1 11 . 1 1 70 70 THR HA H 70 5.331 5.331 4.969 0.362 19433 5128 1 11 . 1 1 70 70 THR CA C 70 57.694 57.694 60.117 -2.423 19433 5129 1 11 . 1 1 70 70 THR CB C 70 69.969 69.969 72.658 -2.689 19433 5130 1 11 . 1 1 70 70 THR H H 70 8.623 8.623 8.398 0.225 19433 5131 1 11 . 1 1 71 71 GLY N N 71 110.469 110.469 109.946 0.523 19433 5132 1 11 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.547 -1.789 19433 5133 1 11 . 1 1 71 71 GLY H H 71 8.955 8.955 8.245 0.710 19433 5134 1 11 . 1 1 72 72 HIS N N 72 121.565 121.565 117.960 3.605 19433 5135 1 11 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.481 0.805 19433 5136 1 11 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.771 -4.851 19433 5137 1 11 . 1 1 72 72 HIS CB C 72 28.409 28.409 27.257 1.152 19433 5138 1 11 . 1 1 72 72 HIS H H 72 8.162 8.162 7.991 0.171 19433 5139 1 11 . 1 1 73 73 PHE N N 73 122.114 122.114 122.815 -0.701 19433 5140 1 11 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.983 0.011 19433 5141 1 11 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.377 -3.375 19433 5142 1 11 . 1 1 73 73 PHE CB C 73 40.278 40.278 44.074 -3.796 19433 5143 1 11 . 1 1 73 73 PHE H H 73 9.117 9.117 8.777 0.340 19433 5144 1 11 . 1 1 74 74 LYS N N 74 122.834 122.834 119.980 2.854 19433 5145 1 11 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.760 0.116 19433 5146 1 11 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.225 -2.424 19433 5147 1 11 . 1 1 74 74 LYS CB C 74 32.741 32.741 35.581 -2.841 19433 5148 1 11 . 1 1 74 74 LYS H H 74 8.889 8.889 8.543 0.346 19433 5149 1 11 . 1 1 75 75 GLY N N 75 109.821 109.821 108.435 1.386 19433 5150 1 11 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.707 -1.472 19433 5151 1 11 . 1 1 75 75 GLY H H 75 8.418 8.418 8.522 -0.104 19433 5152 1 11 . 1 1 76 76 LEU N N 76 119.557 119.557 118.944 0.613 19433 5153 1 11 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.472 -0.132 19433 5154 1 11 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.229 -1.855 19433 5155 1 11 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.252 -3.593 19433 5156 1 11 . 1 1 76 76 LEU H H 76 7.893 7.893 7.907 -0.014 19433 5157 1 11 . 1 1 77 77 VAL N N 77 118.411 118.411 117.146 1.265 19433 5158 1 11 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.483 -0.090 19433 5159 1 11 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.337 -1.892 19433 5160 1 11 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.662 -2.450 19433 5161 1 11 . 1 1 77 77 VAL H H 77 8.583 8.583 8.224 0.359 19433 5162 1 11 . 1 1 78 78 GLY N N 78 111.284 111.284 108.016 3.268 19433 5163 1 11 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.478 -2.480 19433 5164 1 11 . 1 1 78 78 GLY H H 78 8.218 8.218 8.374 -0.156 19433 5165 1 11 . 1 1 79 79 LYS N N 79 120.895 120.895 120.423 0.472 19433 5166 1 11 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.226 0.051 19433 5167 1 11 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.711 -2.260 19433 5168 1 11 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.654 -2.377 19433 5169 1 11 . 1 1 79 79 LYS H H 79 8.347 8.347 8.518 -0.171 19433 5170 1 11 . 1 1 80 80 ASP N N 80 119.681 119.681 115.069 4.612 19433 5171 1 11 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.405 -0.598 19433 5172 1 11 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.251 -1.016 19433 5173 1 11 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.348 -5.324 19433 5174 1 11 . 1 1 80 80 ASP H H 80 7.993 7.993 7.475 0.518 19433 5175 1 11 . 1 1 81 81 THR N N 81 118.659 118.659 113.199 5.460 19433 5176 1 11 . 1 1 81 81 THR HA H 81 4.076 4.076 4.582 -0.506 19433 5177 1 11 . 1 1 81 81 THR CA C 81 60.371 60.371 61.426 -1.055 19433 5178 1 11 . 1 1 81 81 THR CB C 81 67.694 67.694 71.910 -4.216 19433 5179 1 11 . 1 1 81 81 THR H H 81 8.002 8.002 8.621 -0.619 19433 5180 1 11 . 1 1 82 82 ARG N N 82 127.944 127.944 122.674 5.270 19433 5181 1 11 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.329 -0.732 19433 5182 1 11 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.507 -2.336 19433 5183 1 11 . 1 1 82 82 ARG CB C 82 29.608 29.608 34.071 -4.463 19433 5184 1 11 . 1 1 82 82 ARG H H 82 8.183 8.183 8.283 -0.100 19433 5185 1 11 . 1 1 83 83 VAL N N 83 121.617 121.617 118.718 2.899 19433 5186 1 11 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.127 -0.063 19433 5187 1 11 . 1 1 83 83 VAL CA C 83 57.675 57.675 62.258 -4.583 19433 5188 1 11 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.784 -4.469 19433 5189 1 11 . 1 1 83 83 VAL H H 83 8.639 8.639 8.291 0.348 19433 5190 1 11 . 1 1 84 84 PHE N N 84 124.702 124.702 127.345 -2.643 19433 5191 1 11 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.839 0.128 19433 5192 1 11 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.355 -0.556 19433 5193 1 11 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.306 0.382 19433 5194 1 11 . 1 1 84 84 PHE H H 84 9.198 9.198 8.814 0.384 19433 5195 1 11 . 1 1 85 85 ILE N N 85 123.027 123.027 124.440 -1.413 19433 5196 1 11 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.078 0.369 19433 5197 1 11 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.368 -4.455 19433 5198 1 11 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.650 -1.780 19433 5199 1 11 . 1 1 85 85 ILE H H 85 8.650 8.650 8.596 0.054 19433 5200 1 11 . 1 1 86 86 GLU N N 86 124.137 124.137 123.465 0.672 19433 5201 1 11 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.970 -0.395 19433 5202 1 11 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.228 -2.697 19433 5203 1 11 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.967 -1.440 19433 5204 1 11 . 1 1 86 86 GLU H H 86 8.754 8.754 8.016 0.738 19433 5205 1 11 . 1 1 87 87 LEU N N 87 120.087 120.087 119.823 0.264 19433 5206 1 11 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.293 -0.432 19433 5207 1 11 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.831 -2.701 19433 5208 1 11 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.002 -2.742 19433 5209 1 11 . 1 1 87 87 LEU H H 87 8.394 8.394 8.486 -0.092 19433 5210 1 11 . 1 1 88 88 ASP N N 88 123.072 123.072 120.533 2.539 19433 5211 1 11 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.823 -0.164 19433 5212 1 11 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.919 -3.700 19433 5213 1 11 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.688 -4.581 19433 5214 1 11 . 1 1 88 88 ASP H H 88 8.770 8.770 8.755 0.015 19433 5215 1 11 . 1 1 89 89 GLU N N 89 117.437 117.437 118.009 -0.572 19433 5216 1 11 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.012 0.064 19433 5217 1 11 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.607 -3.619 19433 5218 1 11 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.648 -2.486 19433 5219 1 11 . 1 1 89 89 GLU H H 89 9.033 9.033 8.880 0.153 19433 5220 1 11 . 1 1 90 90 ASN N N 90 118.824 118.824 118.118 0.706 19433 5221 1 11 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.837 -0.051 19433 5222 1 11 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.678 -2.508 19433 5223 1 11 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.757 -3.061 19433 5224 1 11 . 1 1 90 90 ASN H H 90 8.351 8.351 8.189 0.162 19433 5225 1 11 . 1 1 91 91 ALA N N 91 118.167 118.167 121.334 -3.167 19433 5226 1 11 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.814 -0.062 19433 5227 1 11 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.140 -1.885 19433 5228 1 11 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.084 -3.166 19433 5229 1 11 . 1 1 91 91 ALA H H 91 8.284 8.284 8.144 0.140 19433 5230 1 11 . 1 1 92 92 ASP N N 92 118.574 118.574 118.642 -0.068 19433 5231 1 11 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.812 0.120 19433 5232 1 11 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.824 -3.008 19433 5233 1 11 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.583 -4.413 19433 5234 1 11 . 1 1 92 92 ASP H H 92 8.215 8.215 8.095 0.120 19433 5235 1 11 . 1 1 93 93 VAL N N 93 121.604 121.604 122.615 -1.011 19433 5236 1 11 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.333 -0.264 19433 5237 1 11 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.510 -2.056 19433 5238 1 11 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.863 -1.875 19433 5239 1 11 . 1 1 93 93 VAL H H 93 8.440 8.440 8.623 -0.183 19433 5240 1 11 . 1 1 94 94 GLN N N 94 125.344 125.344 126.636 -1.292 19433 5241 1 11 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.808 -0.047 19433 5242 1 11 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.276 -2.962 19433 5243 1 11 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.261 -1.862 19433 5244 1 11 . 1 1 94 94 GLN H H 94 8.958 8.958 8.665 0.293 19433 5245 1 11 . 1 1 95 95 VAL N N 95 119.370 119.370 119.035 0.335 19433 5246 1 11 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.470 0.591 19433 5247 1 11 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.798 -4.518 19433 5248 1 11 . 1 1 95 95 VAL CB C 95 30.926 30.926 32.635 -1.709 19433 5249 1 11 . 1 1 95 95 VAL H H 95 8.420 8.420 8.550 -0.130 19433 5250 1 11 . 1 1 96 96 PHE N N 96 126.219 126.219 128.393 -2.174 19433 5251 1 11 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.128 -0.096 19433 5252 1 11 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.134 -2.244 19433 5253 1 11 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.197 -2.694 19433 5254 1 11 . 1 1 96 96 PHE H H 96 9.314 9.314 9.038 0.276 19433 5255 1 11 . 1 1 97 97 ILE N N 97 123.424 123.424 114.924 8.500 19433 5256 1 11 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.076 0.738 19433 5257 1 11 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.954 -1.888 19433 5258 1 11 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.447 -3.170 19433 5259 1 11 . 1 1 97 97 ILE H H 97 7.613 7.613 6.378 1.235 19433 5260 1 11 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.336 -0.066 19433 5261 1 11 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.742 -2.744 19433 5262 1 11 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.362 -1.705 19433 5263 1 11 . 1 1 99 99 GLN N N 99 121.028 121.028 123.038 -2.010 19433 5264 1 11 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.501 -0.046 19433 5265 1 11 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.461 -1.841 19433 5266 1 11 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.189 -2.746 19433 5267 1 11 . 1 1 99 99 GLN H H 99 8.507 8.507 8.226 0.281 19433 5268 1 11 . 1 1 100 100 GLY N N 100 110.029 110.029 109.164 0.865 19433 5269 1 11 . 1 1 100 100 GLY CA C 100 42.628 42.628 44.887 -2.259 19433 5270 1 11 . 1 1 100 100 GLY H H 100 8.356 8.356 8.031 0.325 19433 5271 1 11 . 1 1 101 101 GLU N N 101 120.385 120.385 122.966 -2.581 19433 5272 1 11 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.474 -0.183 19433 5273 1 11 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.117 -2.366 19433 5274 1 11 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.909 -1.079 19433 5275 1 11 . 1 1 101 101 GLU H H 101 8.378 8.378 8.518 -0.140 19433 5276 1 11 . 1 1 102 102 ILE N N 102 120.838 120.838 118.688 2.150 19433 5277 1 11 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.438 -0.272 19433 5278 1 11 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.123 -1.755 19433 5279 1 11 . 1 1 102 102 ILE CB C 102 36.713 36.713 37.597 -0.884 19433 5280 1 11 . 1 1 102 102 ILE H H 102 8.168 8.168 7.743 0.425 19433 5281 1 12 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.549 -0.318 19433 5282 1 12 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.686 -1.153 19433 5283 1 12 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.846 -3.201 19433 5284 1 12 . 1 1 3 3 GLN N N 3 118.180 118.180 119.657 -1.477 19433 5285 1 12 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.181 0.087 19433 5286 1 12 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.206 -2.767 19433 5287 1 12 . 1 1 3 3 GLN H H 3 8.579 8.579 8.580 -0.001 19433 5288 1 12 . 1 1 4 4 ASP N N 4 120.328 120.328 118.081 2.247 19433 5289 1 12 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.855 -0.358 19433 5290 1 12 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.814 -2.049 19433 5291 1 12 . 1 1 4 4 ASP CB C 4 38.522 38.522 42.397 -3.874 19433 5292 1 12 . 1 1 4 4 ASP H H 4 8.061 8.061 8.151 -0.090 19433 5293 1 12 . 1 1 5 5 GLY N N 5 109.114 109.114 111.347 -2.233 19433 5294 1 12 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.058 -2.028 19433 5295 1 12 . 1 1 5 5 GLY H H 5 8.322 8.322 8.010 0.312 19433 5296 1 12 . 1 1 6 6 LYS N N 6 120.397 120.397 122.430 -2.033 19433 5297 1 12 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.214 0.083 19433 5298 1 12 . 1 1 6 6 LYS CA C 6 53.319 53.319 57.077 -3.758 19433 5299 1 12 . 1 1 6 6 LYS CB C 6 30.441 30.441 31.737 -1.296 19433 5300 1 12 . 1 1 6 6 LYS H H 6 8.030 8.030 8.414 -0.384 19433 5301 1 12 . 1 1 7 7 GLU N N 7 122.113 122.113 122.497 -0.384 19433 5302 1 12 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.611 -0.316 19433 5303 1 12 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.897 -2.610 19433 5304 1 12 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.511 -2.754 19433 5305 1 12 . 1 1 7 7 GLU H H 7 8.464 8.464 8.252 0.212 19433 5306 1 12 . 1 1 8 8 THR N N 8 114.459 114.459 112.303 2.156 19433 5307 1 12 . 1 1 8 8 THR HA H 8 4.543 4.543 4.291 0.252 19433 5308 1 12 . 1 1 8 8 THR CA C 8 57.966 57.966 60.878 -2.912 19433 5309 1 12 . 1 1 8 8 THR CB C 8 68.123 68.123 69.559 -1.436 19433 5310 1 12 . 1 1 8 8 THR H H 8 7.984 7.984 7.538 0.446 19433 5311 1 12 . 1 1 9 9 THR N N 9 116.229 116.229 113.881 2.348 19433 5312 1 12 . 1 1 9 9 THR HA H 9 4.584 4.584 4.421 0.163 19433 5313 1 12 . 1 1 9 9 THR CA C 9 58.575 58.575 61.243 -2.668 19433 5314 1 12 . 1 1 9 9 THR CB C 9 67.866 67.866 70.452 -2.586 19433 5315 1 12 . 1 1 9 9 THR H H 9 8.140 8.140 8.297 -0.157 19433 5316 1 12 . 1 1 10 10 THR N N 10 118.509 118.509 117.218 1.291 19433 5317 1 12 . 1 1 10 10 THR HA H 10 4.563 4.563 4.799 -0.236 19433 5318 1 12 . 1 1 10 10 THR CA C 10 59.364 59.364 61.536 -2.172 19433 5319 1 12 . 1 1 10 10 THR CB C 10 68.411 68.411 71.535 -3.124 19433 5320 1 12 . 1 1 10 10 THR H H 10 8.544 8.544 8.514 0.030 19433 5321 1 12 . 1 1 11 11 ILE N N 11 126.772 126.772 121.445 5.327 19433 5322 1 12 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.556 -0.531 19433 5323 1 12 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.444 -2.121 19433 5324 1 12 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.574 -5.234 19433 5325 1 12 . 1 1 11 11 ILE H H 11 8.595 8.595 8.554 0.041 19433 5326 1 12 . 1 1 12 12 ARG N N 12 125.922 125.922 125.583 0.339 19433 5327 1 12 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.864 0.129 19433 5328 1 12 . 1 1 12 12 ARG CA C 12 50.890 50.890 53.987 -3.097 19433 5329 1 12 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.648 -2.684 19433 5330 1 12 . 1 1 12 12 ARG H H 12 8.031 8.031 8.515 -0.484 19433 5331 1 12 . 1 1 13 13 LEU N N 13 126.771 126.771 126.870 -0.099 19433 5332 1 12 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.668 0.275 19433 5333 1 12 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.055 -3.429 19433 5334 1 12 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.260 -2.227 19433 5335 1 12 . 1 1 13 13 LEU H H 13 8.828 8.828 9.022 -0.194 19433 5336 1 12 . 1 1 14 14 ILE N N 14 123.438 123.438 121.648 1.790 19433 5337 1 12 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.634 -0.457 19433 5338 1 12 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.565 -2.051 19433 5339 1 12 . 1 1 14 14 ILE CB C 14 38.667 38.667 41.461 -2.794 19433 5340 1 12 . 1 1 14 14 ILE H H 14 8.847 8.847 8.631 0.216 19433 5341 1 12 . 1 1 15 15 ASN N N 15 123.130 123.130 123.195 -0.065 19433 5342 1 12 . 1 1 15 15 ASN HA H 15 4.880 4.880 5.007 -0.127 19433 5343 1 12 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.660 -2.992 19433 5344 1 12 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.547 -3.726 19433 5345 1 12 . 1 1 15 15 ASN H H 15 8.446 8.446 9.056 -0.610 19433 5346 1 12 . 1 1 16 16 GLN N N 16 125.061 125.061 119.898 5.163 19433 5347 1 12 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.324 1.207 19433 5348 1 12 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.377 -3.217 19433 5349 1 12 . 1 1 16 16 GLN CB C 16 26.904 26.904 27.769 -0.865 19433 5350 1 12 . 1 1 16 16 GLN H H 16 9.063 9.063 7.747 1.316 19433 5351 1 12 . 1 1 17 17 THR N N 17 110.936 110.936 110.634 0.302 19433 5352 1 12 . 1 1 17 17 THR HA H 17 4.415 4.415 4.054 0.361 19433 5353 1 12 . 1 1 17 17 THR CA C 17 58.240 58.240 59.403 -1.163 19433 5354 1 12 . 1 1 17 17 THR CB C 17 67.913 67.913 70.019 -2.106 19433 5355 1 12 . 1 1 17 17 THR H H 17 7.765 7.765 6.911 0.854 19433 5356 1 12 . 1 1 18 18 TYR N N 18 112.380 112.380 117.726 -5.346 19433 5357 1 12 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.685 -0.330 19433 5358 1 12 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.525 -1.496 19433 5359 1 12 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.369 -2.802 19433 5360 1 12 . 1 1 18 18 TYR H H 18 6.950 6.950 7.489 -0.539 19433 5361 1 12 . 1 1 19 19 PHE N N 19 119.710 119.710 114.831 4.879 19433 5362 1 12 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.872 0.124 19433 5363 1 12 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.605 -2.595 19433 5364 1 12 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.411 -1.940 19433 5365 1 12 . 1 1 19 19 PHE H H 19 8.014 8.014 6.451 1.563 19433 5366 1 12 . 1 1 20 20 ASN N N 20 117.921 117.921 117.792 0.129 19433 5367 1 12 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.085 -0.396 19433 5368 1 12 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.319 -0.282 19433 5369 1 12 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.983 -4.678 19433 5370 1 12 . 1 1 20 20 ASN H H 20 8.724 8.724 8.488 0.236 19433 5371 1 12 . 1 1 21 21 VAL N N 21 115.311 115.311 116.435 -1.124 19433 5372 1 12 . 1 1 21 21 VAL HA H 21 4.884 4.884 5.008 -0.124 19433 5373 1 12 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.153 -2.652 19433 5374 1 12 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.133 -3.288 19433 5375 1 12 . 1 1 21 21 VAL H H 21 8.186 8.186 8.836 -0.650 19433 5376 1 12 . 1 1 22 22 LYS N N 22 119.772 119.772 123.065 -3.293 19433 5377 1 12 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.766 0.236 19433 5378 1 12 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.554 -4.021 19433 5379 1 12 . 1 1 22 22 LYS CB C 22 34.265 34.265 32.716 1.549 19433 5380 1 12 . 1 1 22 22 LYS H H 22 9.331 9.331 8.202 1.129 19433 5381 1 12 . 1 1 23 23 ASN N N 23 116.781 116.781 113.864 2.917 19433 5382 1 12 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.754 -0.551 19433 5383 1 12 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.533 -1.600 19433 5384 1 12 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.167 -4.647 19433 5385 1 12 . 1 1 23 23 ASN H H 23 8.573 8.573 8.047 0.526 19433 5386 1 12 . 1 1 24 24 ILE N N 24 118.303 118.303 120.989 -2.686 19433 5387 1 12 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.231 0.513 19433 5388 1 12 . 1 1 24 24 ILE CA C 24 57.544 57.544 59.090 -1.546 19433 5389 1 12 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.976 -1.740 19433 5390 1 12 . 1 1 24 24 ILE H H 24 8.329 8.329 8.153 0.176 19433 5391 1 12 . 1 1 25 25 LYS N N 25 129.189 129.189 126.517 2.672 19433 5392 1 12 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.955 -0.069 19433 5393 1 12 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.703 -1.942 19433 5394 1 12 . 1 1 25 25 LYS CB C 25 31.647 31.647 35.411 -3.764 19433 5395 1 12 . 1 1 25 25 LYS H H 25 9.102 9.102 8.176 0.926 19433 5396 1 12 . 1 1 26 26 VAL N N 26 129.283 129.283 124.576 4.707 19433 5397 1 12 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.604 0.362 19433 5398 1 12 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.719 -1.621 19433 5399 1 12 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.028 -4.658 19433 5400 1 12 . 1 1 26 26 VAL H H 26 9.057 9.057 9.017 0.040 19433 5401 1 12 . 1 1 27 27 THR N N 27 120.185 120.185 120.763 -0.578 19433 5402 1 12 . 1 1 27 27 THR HA H 27 5.542 5.542 5.220 0.322 19433 5403 1 12 . 1 1 27 27 THR CA C 27 56.977 56.977 62.473 -5.496 19433 5404 1 12 . 1 1 27 27 THR CB C 27 68.220 68.220 71.898 -3.678 19433 5405 1 12 . 1 1 27 27 THR H H 27 9.177 9.177 8.548 0.629 19433 5406 1 12 . 1 1 28 28 TRP N N 28 123.046 123.046 123.817 -0.771 19433 5407 1 12 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.331 0.059 19433 5408 1 12 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.942 -2.325 19433 5409 1 12 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.832 -1.870 19433 5410 1 12 . 1 1 28 28 TRP H H 28 8.787 8.787 8.937 -0.150 19433 5411 1 12 . 1 1 29 29 ASN N N 29 116.792 116.792 118.031 -1.239 19433 5412 1 12 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.768 -1.352 19433 5413 1 12 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.306 -1.041 19433 5414 1 12 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.295 -7.116 19433 5415 1 12 . 1 1 29 29 ASN H H 29 8.193 8.193 7.397 0.796 19433 5416 1 12 . 1 1 30 30 ASP N N 30 118.710 118.710 120.731 -2.021 19433 5417 1 12 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.584 -0.067 19433 5418 1 12 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.593 -3.131 19433 5419 1 12 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.731 -3.233 19433 5420 1 12 . 1 1 30 30 ASP H H 30 8.937 8.937 8.642 0.295 19433 5421 1 12 . 1 1 31 31 GLY N N 31 106.542 106.542 105.891 0.651 19433 5422 1 12 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.002 -1.536 19433 5423 1 12 . 1 1 31 31 GLY H H 31 7.594 7.594 7.431 0.163 19433 5424 1 12 . 1 1 32 32 LYS N N 32 121.904 121.904 123.043 -1.139 19433 5425 1 12 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.080 -0.191 19433 5426 1 12 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.601 -2.776 19433 5427 1 12 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.457 -3.327 19433 5428 1 12 . 1 1 32 32 LYS H H 32 7.510 7.510 7.907 -0.397 19433 5429 1 12 . 1 1 33 33 GLU N N 33 119.124 119.124 123.532 -4.408 19433 5430 1 12 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.981 0.299 19433 5431 1 12 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.786 -2.455 19433 5432 1 12 . 1 1 33 33 GLU CB C 33 31.709 31.709 34.215 -2.506 19433 5433 1 12 . 1 1 33 33 GLU H H 33 7.843 7.843 7.920 -0.077 19433 5434 1 12 . 1 1 34 34 GLN N N 34 123.230 123.230 117.789 5.441 19433 5435 1 12 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.754 -0.331 19433 5436 1 12 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.713 -2.416 19433 5437 1 12 . 1 1 34 34 GLN CB C 34 30.242 30.242 31.830 -1.588 19433 5438 1 12 . 1 1 34 34 GLN H H 34 9.114 9.114 8.812 0.302 19433 5439 1 12 . 1 1 35 35 THR N N 35 119.194 119.194 111.702 7.492 19433 5440 1 12 . 1 1 35 35 THR HA H 35 5.241 5.241 5.093 0.148 19433 5441 1 12 . 1 1 35 35 THR CA C 35 58.075 58.075 59.828 -1.753 19433 5442 1 12 . 1 1 35 35 THR CB C 35 67.936 67.936 72.140 -4.204 19433 5443 1 12 . 1 1 35 35 THR H H 35 8.397 8.397 8.318 0.079 19433 5444 1 12 . 1 1 36 36 VAL N N 36 126.317 126.317 117.416 8.901 19433 5445 1 12 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.619 -0.453 19433 5446 1 12 . 1 1 36 36 VAL CA C 36 58.296 58.296 59.325 -1.029 19433 5447 1 12 . 1 1 36 36 VAL CB C 36 31.785 31.785 34.604 -2.819 19433 5448 1 12 . 1 1 36 36 VAL H H 36 8.976 8.976 8.230 0.746 19433 5449 1 12 . 1 1 37 37 ASN N N 37 126.536 126.536 120.032 6.504 19433 5450 1 12 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.595 -0.234 19433 5451 1 12 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.462 -0.368 19433 5452 1 12 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.710 -2.956 19433 5453 1 12 . 1 1 37 37 ASN H H 37 8.974 8.974 8.766 0.208 19433 5454 1 12 . 1 1 38 38 THR N N 38 112.460 112.460 113.163 -0.703 19433 5455 1 12 . 1 1 38 38 THR HA H 38 4.850 4.850 4.940 -0.090 19433 5456 1 12 . 1 1 38 38 THR CA C 38 58.536 58.536 61.928 -3.392 19433 5457 1 12 . 1 1 38 38 THR CB C 38 69.085 69.085 71.847 -2.762 19433 5458 1 12 . 1 1 38 38 THR H H 38 7.762 7.762 7.777 -0.015 19433 5459 1 12 . 1 1 39 39 LEU N N 39 126.316 126.316 125.819 0.497 19433 5460 1 12 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.684 -0.141 19433 5461 1 12 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.159 -2.374 19433 5462 1 12 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.860 -3.519 19433 5463 1 12 . 1 1 39 39 LEU H H 39 8.572 8.572 9.225 -0.653 19433 5464 1 12 . 1 1 40 40 GLY N N 40 116.669 116.669 112.421 4.248 19433 5465 1 12 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.083 -1.818 19433 5466 1 12 . 1 1 40 40 GLY H H 40 9.303 9.303 8.176 1.127 19433 5467 1 12 . 1 1 41 41 SER N N 41 113.384 113.384 117.370 -3.986 19433 5468 1 12 . 1 1 41 41 SER HA H 41 3.612 3.612 4.162 -0.550 19433 5469 1 12 . 1 1 41 41 SER CA C 41 56.211 56.211 59.803 -3.592 19433 5470 1 12 . 1 1 41 41 SER CB C 41 60.482 60.482 63.355 -2.873 19433 5471 1 12 . 1 1 41 41 SER H H 41 7.883 7.883 8.511 -0.628 19433 5472 1 12 . 1 1 42 42 HIS N N 42 120.045 120.045 119.685 0.360 19433 5473 1 12 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.132 0.300 19433 5474 1 12 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.319 -3.315 19433 5475 1 12 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.087 -4.643 19433 5476 1 12 . 1 1 42 42 HIS H H 42 7.882 7.882 8.994 -1.112 19433 5477 1 12 . 1 1 43 43 ASP N N 43 119.308 119.308 120.031 -0.723 19433 5478 1 12 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.722 0.315 19433 5479 1 12 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.520 -5.442 19433 5480 1 12 . 1 1 43 43 ASP CB C 43 40.709 40.709 41.681 -0.972 19433 5481 1 12 . 1 1 43 43 ASP H H 43 7.906 7.906 7.718 0.188 19433 5482 1 12 . 1 1 44 44 SER N N 44 111.544 111.544 113.284 -1.740 19433 5483 1 12 . 1 1 44 44 SER HA H 44 5.617 5.617 5.301 0.316 19433 5484 1 12 . 1 1 44 44 SER CA C 44 53.597 53.597 57.117 -3.520 19433 5485 1 12 . 1 1 44 44 SER CB C 44 65.207 65.207 66.949 -1.742 19433 5486 1 12 . 1 1 44 44 SER H H 44 8.396 8.396 8.399 -0.003 19433 5487 1 12 . 1 1 45 45 ILE N N 45 119.898 119.898 120.386 -0.488 19433 5488 1 12 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.640 -0.130 19433 5489 1 12 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.529 -3.489 19433 5490 1 12 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.351 -3.105 19433 5491 1 12 . 1 1 45 45 ILE H H 45 8.726 8.726 8.938 -0.212 19433 5492 1 12 . 1 1 46 46 ASP N N 46 123.866 123.866 126.688 -2.822 19433 5493 1 12 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.552 -0.031 19433 5494 1 12 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.817 -3.444 19433 5495 1 12 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.397 -2.584 19433 5496 1 12 . 1 1 46 46 ASP H H 46 7.891 7.891 8.300 -0.409 19433 5497 1 12 . 1 1 47 47 PHE N N 47 116.649 116.649 121.427 -4.778 19433 5498 1 12 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.890 -0.117 19433 5499 1 12 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.844 -2.756 19433 5500 1 12 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.202 -3.462 19433 5501 1 12 . 1 1 47 47 PHE H H 47 8.654 8.654 8.548 0.106 19433 5502 1 12 . 1 1 48 48 SER N N 48 114.033 114.033 117.864 -3.831 19433 5503 1 12 . 1 1 48 48 SER HA H 48 4.729 4.729 4.390 0.339 19433 5504 1 12 . 1 1 48 48 SER CA C 48 49.403 49.403 59.542 -10.139 19433 5505 1 12 . 1 1 48 48 SER CB C 48 61.957 61.957 63.688 -1.731 19433 5506 1 12 . 1 1 48 48 SER H H 48 8.667 8.667 8.549 0.118 19433 5507 1 12 . 1 1 49 49 SER N N 49 119.169 119.169 120.778 -1.609 19433 5508 1 12 . 1 1 49 49 SER HA H 49 4.357 4.357 4.166 0.191 19433 5509 1 12 . 1 1 49 49 SER CA C 49 55.003 55.003 57.970 -2.967 19433 5510 1 12 . 1 1 49 49 SER CB C 49 61.708 61.708 63.793 -2.085 19433 5511 1 12 . 1 1 49 49 SER H H 49 8.644 8.644 8.616 0.028 19433 5512 1 12 . 1 1 50 50 ASP N N 50 120.389 120.389 126.680 -6.291 19433 5513 1 12 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.795 -0.350 19433 5514 1 12 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.168 -1.736 19433 5515 1 12 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.835 -2.713 19433 5516 1 12 . 1 1 50 50 ASP H H 50 8.743 8.743 9.404 -0.661 19433 5517 1 12 . 1 1 51 51 ALA N N 51 120.149 120.149 120.704 -0.555 19433 5518 1 12 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.606 0.020 19433 5519 1 12 . 1 1 51 51 ALA CA C 51 48.702 48.702 50.777 -2.075 19433 5520 1 12 . 1 1 51 51 ALA CB C 51 19.196 19.196 22.065 -2.869 19433 5521 1 12 . 1 1 51 51 ALA H H 51 8.178 8.178 7.306 0.872 19433 5522 1 12 . 1 1 52 52 GLY N N 52 106.575 106.575 104.978 1.597 19433 5523 1 12 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.772 -2.905 19433 5524 1 12 . 1 1 52 52 GLY H H 52 8.465 8.465 8.789 -0.324 19433 5525 1 12 . 1 1 53 53 SER N N 53 111.247 111.247 112.252 -1.005 19433 5526 1 12 . 1 1 53 53 SER HA H 53 4.371 4.371 4.697 -0.326 19433 5527 1 12 . 1 1 53 53 SER CA C 53 55.270 55.270 57.106 -1.836 19433 5528 1 12 . 1 1 53 53 SER CB C 53 61.515 61.515 66.074 -4.559 19433 5529 1 12 . 1 1 53 53 SER H H 53 7.606 7.606 7.414 0.192 19433 5530 1 12 . 1 1 54 54 VAL N N 54 124.481 124.481 121.759 2.722 19433 5531 1 12 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.175 0.131 19433 5532 1 12 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.457 -1.682 19433 5533 1 12 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.665 -4.972 19433 5534 1 12 . 1 1 54 54 VAL H H 54 8.587 8.587 8.452 0.135 19433 5535 1 12 . 1 1 55 55 TYR N N 55 122.616 122.616 116.629 5.987 19433 5536 1 12 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.176 0.005 19433 5537 1 12 . 1 1 55 55 TYR CA C 55 53.682 53.682 56.041 -2.359 19433 5538 1 12 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.840 -2.963 19433 5539 1 12 . 1 1 55 55 TYR H H 55 8.586 8.586 8.148 0.438 19433 5540 1 12 . 1 1 56 56 LYS N N 56 121.197 121.197 119.222 1.975 19433 5541 1 12 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.090 -0.334 19433 5542 1 12 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.407 -2.001 19433 5543 1 12 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.502 -4.029 19433 5544 1 12 . 1 1 56 56 LYS H H 56 7.276 7.276 7.592 -0.316 19433 5545 1 12 . 1 1 57 57 MET N N 57 122.040 122.040 120.568 1.472 19433 5546 1 12 . 1 1 57 57 MET HA H 57 5.440 5.440 5.116 0.324 19433 5547 1 12 . 1 1 57 57 MET CA C 57 52.893 52.893 56.133 -3.240 19433 5548 1 12 . 1 1 57 57 MET CB C 57 35.646 35.646 37.720 -2.074 19433 5549 1 12 . 1 1 57 57 MET H H 57 8.637 8.637 9.030 -0.393 19433 5550 1 12 . 1 1 58 58 ASP N N 58 125.086 125.086 126.581 -1.495 19433 5551 1 12 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.282 0.458 19433 5552 1 12 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.846 -3.062 19433 5553 1 12 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.612 -1.273 19433 5554 1 12 . 1 1 58 58 ASP H H 58 9.367 9.367 8.506 0.861 19433 5555 1 12 . 1 1 59 59 VAL N N 59 120.817 120.817 120.977 -0.160 19433 5556 1 12 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.528 0.530 19433 5557 1 12 . 1 1 59 59 VAL CA C 59 58.103 58.103 59.948 -1.845 19433 5558 1 12 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.311 0.471 19433 5559 1 12 . 1 1 59 59 VAL H H 59 8.890 8.890 8.488 0.402 19433 5560 1 12 . 1 1 60 60 THR N N 60 120.028 120.028 118.027 2.001 19433 5561 1 12 . 1 1 60 60 THR HA H 60 5.125 5.125 4.884 0.241 19433 5562 1 12 . 1 1 60 60 THR CA C 60 56.923 56.923 61.463 -4.540 19433 5563 1 12 . 1 1 60 60 THR CB C 60 68.946 68.946 69.659 -0.713 19433 5564 1 12 . 1 1 60 60 THR H H 60 8.578 8.578 8.340 0.238 19433 5565 1 12 . 1 1 61 61 GLY N N 61 108.812 108.812 114.032 -5.220 19433 5566 1 12 . 1 1 61 61 GLY CA C 61 43.194 43.194 42.866 0.328 19433 5567 1 12 . 1 1 61 61 GLY H H 61 7.330 7.330 7.824 -0.494 19433 5568 1 12 . 1 1 62 62 THR N N 62 111.342 111.342 115.169 -3.827 19433 5569 1 12 . 1 1 62 62 THR HA H 62 5.333 5.333 5.230 0.103 19433 5570 1 12 . 1 1 62 62 THR CA C 62 57.514 57.514 61.062 -3.548 19433 5571 1 12 . 1 1 62 62 THR CB C 62 69.348 69.348 72.302 -2.954 19433 5572 1 12 . 1 1 62 62 THR H H 62 8.013 8.013 7.782 0.231 19433 5573 1 12 . 1 1 63 63 THR N N 63 115.003 115.003 115.875 -0.872 19433 5574 1 12 . 1 1 63 63 THR HA H 63 4.751 4.751 4.616 0.135 19433 5575 1 12 . 1 1 63 63 THR CA C 63 58.700 58.700 60.013 -1.313 19433 5576 1 12 . 1 1 63 63 THR CB C 63 68.654 68.654 70.063 -1.409 19433 5577 1 12 . 1 1 63 63 THR H H 63 9.432 9.432 8.731 0.701 19433 5578 1 12 . 1 1 64 64 GLN N N 64 120.671 120.671 121.433 -0.762 19433 5579 1 12 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.033 -0.191 19433 5580 1 12 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.341 -3.069 19433 5581 1 12 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.454 -2.369 19433 5582 1 12 . 1 1 64 64 GLN H H 64 8.037 8.037 8.609 -0.572 19433 5583 1 12 . 1 1 65 65 SER N N 65 110.096 110.096 112.097 -2.001 19433 5584 1 12 . 1 1 65 65 SER HA H 65 4.351 4.351 4.356 -0.005 19433 5585 1 12 . 1 1 65 65 SER CA C 65 55.577 55.577 58.482 -2.905 19433 5586 1 12 . 1 1 65 65 SER CB C 65 60.350 60.350 63.255 -2.905 19433 5587 1 12 . 1 1 65 65 SER H H 65 7.670 7.670 8.233 -0.563 19433 5588 1 12 . 1 1 66 66 GLY N N 66 109.466 109.466 109.549 -0.083 19433 5589 1 12 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.143 -2.493 19433 5590 1 12 . 1 1 66 66 GLY H H 66 7.810 7.810 7.723 0.087 19433 5591 1 12 . 1 1 67 67 GLU N N 67 121.149 121.149 121.035 0.114 19433 5592 1 12 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.304 -0.001 19433 5593 1 12 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.197 -2.278 19433 5594 1 12 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.741 -3.711 19433 5595 1 12 . 1 1 67 67 GLU H H 67 7.518 7.518 8.094 -0.576 19433 5596 1 12 . 1 1 68 68 LYS N N 68 124.553 124.553 125.114 -0.561 19433 5597 1 12 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.738 0.148 19433 5598 1 12 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.933 -2.931 19433 5599 1 12 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.381 -2.882 19433 5600 1 12 . 1 1 68 68 LYS H H 68 8.631 8.631 8.512 0.119 19433 5601 1 12 . 1 1 69 69 PHE N N 69 119.363 119.363 121.170 -1.807 19433 5602 1 12 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.033 0.129 19433 5603 1 12 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.670 -3.060 19433 5604 1 12 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.063 -1.532 19433 5605 1 12 . 1 1 69 69 PHE H H 69 8.180 8.180 8.033 0.147 19433 5606 1 12 . 1 1 70 70 THR N N 70 113.468 113.468 112.468 1.000 19433 5607 1 12 . 1 1 70 70 THR HA H 70 5.331 5.331 5.015 0.316 19433 5608 1 12 . 1 1 70 70 THR CA C 70 57.694 57.694 59.590 -1.896 19433 5609 1 12 . 1 1 70 70 THR CB C 70 69.969 69.969 71.724 -1.755 19433 5610 1 12 . 1 1 70 70 THR H H 70 8.623 8.623 8.582 0.041 19433 5611 1 12 . 1 1 71 71 GLY N N 71 110.469 110.469 109.236 1.233 19433 5612 1 12 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.980 -2.222 19433 5613 1 12 . 1 1 71 71 GLY H H 71 8.955 8.955 7.881 1.074 19433 5614 1 12 . 1 1 72 72 HIS N N 72 121.565 121.565 123.112 -1.547 19433 5615 1 12 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.814 0.472 19433 5616 1 12 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.106 -4.186 19433 5617 1 12 . 1 1 72 72 HIS CB C 72 28.409 28.409 29.817 -1.408 19433 5618 1 12 . 1 1 72 72 HIS H H 72 8.162 8.162 8.145 0.017 19433 5619 1 12 . 1 1 73 73 PHE N N 73 122.114 122.114 124.753 -2.639 19433 5620 1 12 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.855 0.139 19433 5621 1 12 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.886 -2.884 19433 5622 1 12 . 1 1 73 73 PHE CB C 73 40.278 40.278 43.098 -2.820 19433 5623 1 12 . 1 1 73 73 PHE H H 73 9.117 9.117 9.291 -0.174 19433 5624 1 12 . 1 1 74 74 LYS N N 74 122.834 122.834 121.090 1.744 19433 5625 1 12 . 1 1 74 74 LYS HA H 74 4.876 4.876 5.065 -0.189 19433 5626 1 12 . 1 1 74 74 LYS CA C 74 52.801 52.801 54.692 -1.891 19433 5627 1 12 . 1 1 74 74 LYS CB C 74 32.741 32.741 35.491 -2.750 19433 5628 1 12 . 1 1 74 74 LYS H H 74 8.889 8.889 8.568 0.321 19433 5629 1 12 . 1 1 75 75 GLY N N 75 109.821 109.821 109.998 -0.177 19433 5630 1 12 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.870 -1.635 19433 5631 1 12 . 1 1 75 75 GLY H H 75 8.418 8.418 8.400 0.018 19433 5632 1 12 . 1 1 76 76 LEU N N 76 119.557 119.557 122.129 -2.572 19433 5633 1 12 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.787 -0.447 19433 5634 1 12 . 1 1 76 76 LEU CA C 76 52.374 52.374 53.322 -0.948 19433 5635 1 12 . 1 1 76 76 LEU CB C 76 39.659 39.659 44.647 -4.987 19433 5636 1 12 . 1 1 76 76 LEU H H 76 7.893 7.893 7.685 0.208 19433 5637 1 12 . 1 1 77 77 VAL N N 77 118.411 118.411 118.805 -0.394 19433 5638 1 12 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.504 -0.111 19433 5639 1 12 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.325 -1.880 19433 5640 1 12 . 1 1 77 77 VAL CB C 77 32.212 32.212 33.647 -1.435 19433 5641 1 12 . 1 1 77 77 VAL H H 77 8.583 8.583 8.273 0.310 19433 5642 1 12 . 1 1 78 78 GLY N N 78 111.284 111.284 108.718 2.566 19433 5643 1 12 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.917 -2.919 19433 5644 1 12 . 1 1 78 78 GLY H H 78 8.218 8.218 8.277 -0.059 19433 5645 1 12 . 1 1 79 79 LYS N N 79 120.895 120.895 124.128 -3.233 19433 5646 1 12 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.501 -0.224 19433 5647 1 12 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.686 -1.235 19433 5648 1 12 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.670 -2.393 19433 5649 1 12 . 1 1 79 79 LYS H H 79 8.347 8.347 8.354 -0.007 19433 5650 1 12 . 1 1 80 80 ASP N N 80 119.681 119.681 117.183 2.498 19433 5651 1 12 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.248 -0.441 19433 5652 1 12 . 1 1 80 80 ASP CA C 80 51.234 51.234 53.295 -2.061 19433 5653 1 12 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.447 -4.423 19433 5654 1 12 . 1 1 80 80 ASP H H 80 7.993 7.993 7.721 0.272 19433 5655 1 12 . 1 1 81 81 THR N N 81 118.659 118.659 114.883 3.776 19433 5656 1 12 . 1 1 81 81 THR HA H 81 4.076 4.076 4.498 -0.422 19433 5657 1 12 . 1 1 81 81 THR CA C 81 60.371 60.371 61.657 -1.286 19433 5658 1 12 . 1 1 81 81 THR CB C 81 67.694 67.694 71.269 -3.575 19433 5659 1 12 . 1 1 81 81 THR H H 81 8.002 8.002 7.826 0.176 19433 5660 1 12 . 1 1 82 82 ARG N N 82 127.944 127.944 126.421 1.523 19433 5661 1 12 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.276 -0.679 19433 5662 1 12 . 1 1 82 82 ARG CA C 82 52.171 52.171 55.177 -3.006 19433 5663 1 12 . 1 1 82 82 ARG CB C 82 29.608 29.608 31.908 -2.300 19433 5664 1 12 . 1 1 82 82 ARG H H 82 8.183 8.183 8.524 -0.341 19433 5665 1 12 . 1 1 83 83 VAL N N 83 121.617 121.617 118.780 2.837 19433 5666 1 12 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.190 -0.126 19433 5667 1 12 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.588 -3.913 19433 5668 1 12 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.745 -4.430 19433 5669 1 12 . 1 1 83 83 VAL H H 83 8.639 8.639 8.191 0.448 19433 5670 1 12 . 1 1 84 84 PHE N N 84 124.702 124.702 126.699 -1.997 19433 5671 1 12 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.815 0.152 19433 5672 1 12 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.620 -0.821 19433 5673 1 12 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.858 -0.170 19433 5674 1 12 . 1 1 84 84 PHE H H 84 9.198 9.198 9.122 0.076 19433 5675 1 12 . 1 1 85 85 ILE N N 85 123.027 123.027 125.518 -2.491 19433 5676 1 12 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.096 0.351 19433 5677 1 12 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.012 -4.099 19433 5678 1 12 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.565 -1.695 19433 5679 1 12 . 1 1 85 85 ILE H H 85 8.650 8.650 8.156 0.494 19433 5680 1 12 . 1 1 86 86 GLU N N 86 124.137 124.137 123.138 0.999 19433 5681 1 12 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.488 0.087 19433 5682 1 12 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.922 -3.391 19433 5683 1 12 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.369 -0.842 19433 5684 1 12 . 1 1 86 86 GLU H H 86 8.754 8.754 7.827 0.927 19433 5685 1 12 . 1 1 87 87 LEU N N 87 120.087 120.087 120.965 -0.878 19433 5686 1 12 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.029 -0.168 19433 5687 1 12 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.992 -3.862 19433 5688 1 12 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.094 -1.835 19433 5689 1 12 . 1 1 87 87 LEU H H 87 8.394 8.394 8.414 -0.020 19433 5690 1 12 . 1 1 88 88 ASP N N 88 123.072 123.072 119.416 3.656 19433 5691 1 12 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.806 -0.147 19433 5692 1 12 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.444 -4.225 19433 5693 1 12 . 1 1 88 88 ASP CB C 88 39.107 39.107 42.946 -3.839 19433 5694 1 12 . 1 1 88 88 ASP H H 88 8.770 8.770 8.526 0.244 19433 5695 1 12 . 1 1 89 89 GLU N N 89 117.437 117.437 117.359 0.078 19433 5696 1 12 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.985 0.091 19433 5697 1 12 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.415 -3.427 19433 5698 1 12 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.574 -2.412 19433 5699 1 12 . 1 1 89 89 GLU H H 89 9.033 9.033 8.839 0.194 19433 5700 1 12 . 1 1 90 90 ASN N N 90 118.824 118.824 119.745 -0.921 19433 5701 1 12 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.875 -0.089 19433 5702 1 12 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.916 -2.746 19433 5703 1 12 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.997 -3.301 19433 5704 1 12 . 1 1 90 90 ASN H H 90 8.351 8.351 8.132 0.219 19433 5705 1 12 . 1 1 91 91 ALA N N 91 118.167 118.167 121.537 -3.370 19433 5706 1 12 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.952 -0.200 19433 5707 1 12 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.221 -1.966 19433 5708 1 12 . 1 1 91 91 ALA CB C 91 13.918 13.918 18.202 -4.284 19433 5709 1 12 . 1 1 91 91 ALA H H 91 8.284 8.284 8.225 0.059 19433 5710 1 12 . 1 1 92 92 ASP N N 92 118.574 118.574 119.093 -0.519 19433 5711 1 12 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.902 0.030 19433 5712 1 12 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.334 -2.518 19433 5713 1 12 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.091 -3.921 19433 5714 1 12 . 1 1 92 92 ASP H H 92 8.215 8.215 8.319 -0.104 19433 5715 1 12 . 1 1 93 93 VAL N N 93 121.604 121.604 123.455 -1.851 19433 5716 1 12 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.003 0.066 19433 5717 1 12 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.978 -2.524 19433 5718 1 12 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.280 -2.292 19433 5719 1 12 . 1 1 93 93 VAL H H 93 8.440 8.440 8.433 0.007 19433 5720 1 12 . 1 1 94 94 GLN N N 94 125.344 125.344 124.477 0.867 19433 5721 1 12 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.622 0.139 19433 5722 1 12 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.979 -3.665 19433 5723 1 12 . 1 1 94 94 GLN CB C 94 29.399 29.399 30.655 -1.256 19433 5724 1 12 . 1 1 94 94 GLN H H 94 8.958 8.958 7.742 1.216 19433 5725 1 12 . 1 1 95 95 VAL N N 95 119.370 119.370 117.506 1.864 19433 5726 1 12 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.836 0.225 19433 5727 1 12 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.510 -4.230 19433 5728 1 12 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.593 -3.667 19433 5729 1 12 . 1 1 95 95 VAL H H 95 8.420 8.420 8.411 0.009 19433 5730 1 12 . 1 1 96 96 PHE N N 96 126.219 126.219 126.336 -0.117 19433 5731 1 12 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.169 -0.137 19433 5732 1 12 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.044 -2.154 19433 5733 1 12 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.640 -3.137 19433 5734 1 12 . 1 1 96 96 PHE H H 96 9.314 9.314 9.495 -0.181 19433 5735 1 12 . 1 1 97 97 ILE N N 97 123.424 123.424 115.264 8.160 19433 5736 1 12 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.153 0.661 19433 5737 1 12 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.931 -1.865 19433 5738 1 12 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.556 -3.279 19433 5739 1 12 . 1 1 97 97 ILE H H 97 7.613 7.613 6.746 0.867 19433 5740 1 12 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.370 -0.100 19433 5741 1 12 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.668 -2.670 19433 5742 1 12 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.253 -1.596 19433 5743 1 12 . 1 1 99 99 GLN N N 99 121.028 121.028 123.119 -2.091 19433 5744 1 12 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.513 -0.058 19433 5745 1 12 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.907 -2.287 19433 5746 1 12 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.529 -3.086 19433 5747 1 12 . 1 1 99 99 GLN H H 99 8.507 8.507 8.221 0.286 19433 5748 1 12 . 1 1 100 100 GLY N N 100 110.029 110.029 109.130 0.899 19433 5749 1 12 . 1 1 100 100 GLY CA C 100 42.628 42.628 46.032 -3.404 19433 5750 1 12 . 1 1 100 100 GLY H H 100 8.356 8.356 8.385 -0.029 19433 5751 1 12 . 1 1 101 101 GLU N N 101 120.385 120.385 124.239 -3.854 19433 5752 1 12 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.323 -0.032 19433 5753 1 12 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.630 -2.879 19433 5754 1 12 . 1 1 101 101 GLU CB C 101 27.830 27.830 27.457 0.372 19433 5755 1 12 . 1 1 101 101 GLU H H 101 8.378 8.378 8.761 -0.383 19433 5756 1 12 . 1 1 102 102 ILE N N 102 120.838 120.838 116.499 4.339 19433 5757 1 12 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.514 -0.348 19433 5758 1 12 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.554 -2.186 19433 5759 1 12 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.882 -2.169 19433 5760 1 12 . 1 1 102 102 ILE H H 102 8.168 8.168 7.884 0.284 19433 5761 1 13 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.559 -0.328 19433 5762 1 13 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.238 -0.705 19433 5763 1 13 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.533 -3.889 19433 5764 1 13 . 1 1 3 3 GLN N N 3 118.180 118.180 117.761 0.419 19433 5765 1 13 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.134 0.134 19433 5766 1 13 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.096 -2.657 19433 5767 1 13 . 1 1 3 3 GLN H H 3 8.579 8.579 8.535 0.044 19433 5768 1 13 . 1 1 4 4 ASP N N 4 120.328 120.328 116.400 3.928 19433 5769 1 13 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.767 -0.270 19433 5770 1 13 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.115 -2.350 19433 5771 1 13 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.434 -2.912 19433 5772 1 13 . 1 1 4 4 ASP H H 4 8.061 8.061 8.198 -0.137 19433 5773 1 13 . 1 1 5 5 GLY N N 5 109.114 109.114 107.564 1.550 19433 5774 1 13 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.381 -2.351 19433 5775 1 13 . 1 1 5 5 GLY H H 5 8.322 8.322 8.065 0.257 19433 5776 1 13 . 1 1 6 6 LYS N N 6 120.397 120.397 120.298 0.099 19433 5777 1 13 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.554 -0.257 19433 5778 1 13 . 1 1 6 6 LYS CA C 6 53.319 53.319 55.958 -2.639 19433 5779 1 13 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.211 -1.770 19433 5780 1 13 . 1 1 6 6 LYS H H 6 8.030 8.030 7.869 0.161 19433 5781 1 13 . 1 1 7 7 GLU N N 7 122.113 122.113 123.074 -0.961 19433 5782 1 13 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.271 0.024 19433 5783 1 13 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.678 -3.391 19433 5784 1 13 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.043 -2.286 19433 5785 1 13 . 1 1 7 7 GLU H H 7 8.464 8.464 8.707 -0.243 19433 5786 1 13 . 1 1 8 8 THR N N 8 114.459 114.459 111.630 2.829 19433 5787 1 13 . 1 1 8 8 THR HA H 8 4.543 4.543 5.105 -0.562 19433 5788 1 13 . 1 1 8 8 THR CA C 8 57.966 57.966 59.681 -1.715 19433 5789 1 13 . 1 1 8 8 THR CB C 8 68.123 68.123 72.110 -3.987 19433 5790 1 13 . 1 1 8 8 THR H H 8 7.984 7.984 7.525 0.459 19433 5791 1 13 . 1 1 9 9 THR N N 9 116.229 116.229 113.293 2.936 19433 5792 1 13 . 1 1 9 9 THR HA H 9 4.584 4.584 4.770 -0.186 19433 5793 1 13 . 1 1 9 9 THR CA C 9 58.575 58.575 60.047 -1.472 19433 5794 1 13 . 1 1 9 9 THR CB C 9 67.866 67.866 70.918 -3.052 19433 5795 1 13 . 1 1 9 9 THR H H 9 8.140 8.140 8.045 0.095 19433 5796 1 13 . 1 1 10 10 THR N N 10 118.509 118.509 114.040 4.469 19433 5797 1 13 . 1 1 10 10 THR HA H 10 4.563 4.563 4.726 -0.163 19433 5798 1 13 . 1 1 10 10 THR CA C 10 59.364 59.364 61.637 -2.273 19433 5799 1 13 . 1 1 10 10 THR CB C 10 68.411 68.411 72.572 -4.160 19433 5800 1 13 . 1 1 10 10 THR H H 10 8.544 8.544 8.102 0.442 19433 5801 1 13 . 1 1 11 11 ILE N N 11 126.772 126.772 120.755 6.017 19433 5802 1 13 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.339 -0.314 19433 5803 1 13 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.513 -2.189 19433 5804 1 13 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.848 -5.508 19433 5805 1 13 . 1 1 11 11 ILE H H 11 8.595 8.595 8.432 0.163 19433 5806 1 13 . 1 1 12 12 ARG N N 12 125.922 125.922 125.591 0.331 19433 5807 1 13 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.750 0.243 19433 5808 1 13 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.700 -3.810 19433 5809 1 13 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.591 -2.627 19433 5810 1 13 . 1 1 12 12 ARG H H 12 8.031 8.031 7.998 0.033 19433 5811 1 13 . 1 1 13 13 LEU N N 13 126.771 126.771 127.241 -0.470 19433 5812 1 13 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.631 0.312 19433 5813 1 13 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.150 -3.524 19433 5814 1 13 . 1 1 13 13 LEU CB C 13 42.033 42.033 42.493 -0.460 19433 5815 1 13 . 1 1 13 13 LEU H H 13 8.828 8.828 8.771 0.057 19433 5816 1 13 . 1 1 14 14 ILE N N 14 123.438 123.438 124.338 -0.900 19433 5817 1 13 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.684 -0.507 19433 5818 1 13 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.106 -1.592 19433 5819 1 13 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.377 -1.710 19433 5820 1 13 . 1 1 14 14 ILE H H 14 8.847 8.847 8.558 0.289 19433 5821 1 13 . 1 1 15 15 ASN N N 15 123.130 123.130 121.322 1.808 19433 5822 1 13 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.955 -0.075 19433 5823 1 13 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.774 -3.106 19433 5824 1 13 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.761 -3.940 19433 5825 1 13 . 1 1 15 15 ASN H H 15 8.446 8.446 8.770 -0.324 19433 5826 1 13 . 1 1 16 16 GLN N N 16 125.061 125.061 121.946 3.115 19433 5827 1 13 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.304 1.227 19433 5828 1 13 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.039 -2.879 19433 5829 1 13 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.742 0.162 19433 5830 1 13 . 1 1 16 16 GLN H H 16 9.063 9.063 8.079 0.984 19433 5831 1 13 . 1 1 17 17 THR N N 17 110.936 110.936 110.938 -0.002 19433 5832 1 13 . 1 1 17 17 THR HA H 17 4.415 4.415 4.407 0.008 19433 5833 1 13 . 1 1 17 17 THR CA C 17 58.240 58.240 59.606 -1.366 19433 5834 1 13 . 1 1 17 17 THR CB C 17 67.913 67.913 70.326 -2.413 19433 5835 1 13 . 1 1 17 17 THR H H 17 7.765 7.765 8.022 -0.257 19433 5836 1 13 . 1 1 18 18 TYR N N 18 112.380 112.380 118.095 -5.715 19433 5837 1 13 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.752 -0.397 19433 5838 1 13 . 1 1 18 18 TYR CA C 18 54.029 54.029 54.908 -0.879 19433 5839 1 13 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.884 -3.317 19433 5840 1 13 . 1 1 18 18 TYR H H 18 6.950 6.950 8.217 -1.267 19433 5841 1 13 . 1 1 19 19 PHE N N 19 119.710 119.710 115.086 4.624 19433 5842 1 13 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.834 0.162 19433 5843 1 13 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.565 -2.555 19433 5844 1 13 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.421 -1.950 19433 5845 1 13 . 1 1 19 19 PHE H H 19 8.014 8.014 6.638 1.376 19433 5846 1 13 . 1 1 20 20 ASN N N 20 117.921 117.921 117.743 0.178 19433 5847 1 13 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.524 -0.835 19433 5848 1 13 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.066 -0.029 19433 5849 1 13 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.160 -4.854 19433 5850 1 13 . 1 1 20 20 ASN H H 20 8.724 8.724 8.501 0.223 19433 5851 1 13 . 1 1 21 21 VAL N N 21 115.311 115.311 114.991 0.320 19433 5852 1 13 . 1 1 21 21 VAL HA H 21 4.884 4.884 5.145 -0.261 19433 5853 1 13 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.101 -2.600 19433 5854 1 13 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.560 -3.715 19433 5855 1 13 . 1 1 21 21 VAL H H 21 8.186 8.186 8.844 -0.658 19433 5856 1 13 . 1 1 22 22 LYS N N 22 119.772 119.772 122.207 -2.435 19433 5857 1 13 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.784 0.218 19433 5858 1 13 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.900 -4.367 19433 5859 1 13 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.619 0.646 19433 5860 1 13 . 1 1 22 22 LYS H H 22 9.331 9.331 8.293 1.038 19433 5861 1 13 . 1 1 23 23 ASN N N 23 116.781 116.781 114.747 2.034 19433 5862 1 13 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.785 -0.582 19433 5863 1 13 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.621 -1.688 19433 5864 1 13 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.798 -4.278 19433 5865 1 13 . 1 1 23 23 ASN H H 23 8.573 8.573 8.206 0.367 19433 5866 1 13 . 1 1 24 24 ILE N N 24 118.303 118.303 121.213 -2.910 19433 5867 1 13 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.263 0.481 19433 5868 1 13 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.557 -4.013 19433 5869 1 13 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.766 -2.530 19433 5870 1 13 . 1 1 24 24 ILE H H 24 8.329 8.329 8.165 0.164 19433 5871 1 13 . 1 1 25 25 LYS N N 25 129.189 129.189 127.821 1.368 19433 5872 1 13 . 1 1 25 25 LYS HA H 25 4.886 4.886 5.105 -0.219 19433 5873 1 13 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.754 -1.993 19433 5874 1 13 . 1 1 25 25 LYS CB C 25 31.647 31.647 35.667 -4.021 19433 5875 1 13 . 1 1 25 25 LYS H H 25 9.102 9.102 8.759 0.343 19433 5876 1 13 . 1 1 26 26 VAL N N 26 129.283 129.283 127.560 1.723 19433 5877 1 13 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.710 0.256 19433 5878 1 13 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.349 -2.250 19433 5879 1 13 . 1 1 26 26 VAL CB C 26 31.370 31.370 34.861 -3.491 19433 5880 1 13 . 1 1 26 26 VAL H H 26 9.057 9.057 8.776 0.281 19433 5881 1 13 . 1 1 27 27 THR N N 27 120.185 120.185 123.019 -2.834 19433 5882 1 13 . 1 1 27 27 THR HA H 27 5.542 5.542 5.338 0.204 19433 5883 1 13 . 1 1 27 27 THR CA C 27 56.977 56.977 61.737 -4.760 19433 5884 1 13 . 1 1 27 27 THR CB C 27 68.220 68.220 71.197 -2.977 19433 5885 1 13 . 1 1 27 27 THR H H 27 9.177 9.177 8.726 0.451 19433 5886 1 13 . 1 1 28 28 TRP N N 28 123.046 123.046 122.575 0.471 19433 5887 1 13 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.327 0.062 19433 5888 1 13 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.942 -2.325 19433 5889 1 13 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.894 -0.932 19433 5890 1 13 . 1 1 28 28 TRP H H 28 8.787 8.787 8.827 -0.040 19433 5891 1 13 . 1 1 29 29 ASN N N 29 116.792 116.792 117.602 -0.810 19433 5892 1 13 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.669 -1.253 19433 5893 1 13 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.388 -1.123 19433 5894 1 13 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.097 -6.918 19433 5895 1 13 . 1 1 29 29 ASN H H 29 8.193 8.193 7.639 0.554 19433 5896 1 13 . 1 1 30 30 ASP N N 30 118.710 118.710 119.779 -1.069 19433 5897 1 13 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.852 -0.335 19433 5898 1 13 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.063 -3.601 19433 5899 1 13 . 1 1 30 30 ASP CB C 30 36.498 36.498 40.954 -4.456 19433 5900 1 13 . 1 1 30 30 ASP H H 30 8.937 8.937 8.509 0.428 19433 5901 1 13 . 1 1 31 31 GLY N N 31 106.542 106.542 106.311 0.231 19433 5902 1 13 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.057 -1.591 19433 5903 1 13 . 1 1 31 31 GLY H H 31 7.594 7.594 7.712 -0.118 19433 5904 1 13 . 1 1 32 32 LYS N N 32 121.904 121.904 124.053 -2.149 19433 5905 1 13 . 1 1 32 32 LYS HA H 32 3.889 3.889 3.983 -0.094 19433 5906 1 13 . 1 1 32 32 LYS CA C 32 52.825 52.825 56.037 -3.212 19433 5907 1 13 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.295 -3.165 19433 5908 1 13 . 1 1 32 32 LYS H H 32 7.510 7.510 7.936 -0.426 19433 5909 1 13 . 1 1 33 33 GLU N N 33 119.124 119.124 122.612 -3.488 19433 5910 1 13 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.053 0.227 19433 5911 1 13 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.153 -1.822 19433 5912 1 13 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.777 -2.068 19433 5913 1 13 . 1 1 33 33 GLU H H 33 7.843 7.843 7.793 0.050 19433 5914 1 13 . 1 1 34 34 GLN N N 34 123.230 123.230 117.686 5.544 19433 5915 1 13 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.750 -0.327 19433 5916 1 13 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.562 -2.265 19433 5917 1 13 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.022 -1.780 19433 5918 1 13 . 1 1 34 34 GLN H H 34 9.114 9.114 8.939 0.175 19433 5919 1 13 . 1 1 35 35 THR N N 35 119.194 119.194 113.318 5.876 19433 5920 1 13 . 1 1 35 35 THR HA H 35 5.241 5.241 5.244 -0.003 19433 5921 1 13 . 1 1 35 35 THR CA C 35 58.075 58.075 60.009 -1.934 19433 5922 1 13 . 1 1 35 35 THR CB C 35 67.936 67.936 71.182 -3.246 19433 5923 1 13 . 1 1 35 35 THR H H 35 8.397 8.397 8.315 0.082 19433 5924 1 13 . 1 1 36 36 VAL N N 36 126.317 126.317 124.165 2.152 19433 5925 1 13 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.083 0.083 19433 5926 1 13 . 1 1 36 36 VAL CA C 36 58.296 58.296 60.998 -2.703 19433 5927 1 13 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.551 -0.766 19433 5928 1 13 . 1 1 36 36 VAL H H 36 8.976 8.976 8.054 0.922 19433 5929 1 13 . 1 1 37 37 ASN N N 37 126.536 126.536 119.860 6.676 19433 5930 1 13 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.535 -0.174 19433 5931 1 13 . 1 1 37 37 ASN CA C 37 55.094 55.094 54.988 0.106 19433 5932 1 13 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.883 -3.128 19433 5933 1 13 . 1 1 37 37 ASN H H 37 8.974 8.974 8.541 0.433 19433 5934 1 13 . 1 1 38 38 THR N N 38 112.460 112.460 112.734 -0.274 19433 5935 1 13 . 1 1 38 38 THR HA H 38 4.850 4.850 4.901 -0.051 19433 5936 1 13 . 1 1 38 38 THR CA C 38 58.536 58.536 62.075 -3.539 19433 5937 1 13 . 1 1 38 38 THR CB C 38 69.085 69.085 72.037 -2.952 19433 5938 1 13 . 1 1 38 38 THR H H 38 7.762 7.762 7.788 -0.026 19433 5939 1 13 . 1 1 39 39 LEU N N 39 126.316 126.316 123.948 2.368 19433 5940 1 13 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.664 -0.121 19433 5941 1 13 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.534 -2.749 19433 5942 1 13 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.731 -3.390 19433 5943 1 13 . 1 1 39 39 LEU H H 39 8.572 8.572 9.100 -0.528 19433 5944 1 13 . 1 1 40 40 GLY N N 40 116.669 116.669 111.825 4.844 19433 5945 1 13 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.584 -2.318 19433 5946 1 13 . 1 1 40 40 GLY H H 40 9.303 9.303 8.216 1.087 19433 5947 1 13 . 1 1 41 41 SER N N 41 113.384 113.384 115.997 -2.613 19433 5948 1 13 . 1 1 41 41 SER HA H 41 3.612 3.612 4.122 -0.510 19433 5949 1 13 . 1 1 41 41 SER CA C 41 56.211 56.211 59.826 -3.615 19433 5950 1 13 . 1 1 41 41 SER CB C 41 60.482 60.482 62.690 -2.208 19433 5951 1 13 . 1 1 41 41 SER H H 41 7.883 7.883 8.341 -0.458 19433 5952 1 13 . 1 1 42 42 HIS N N 42 120.045 120.045 119.192 0.853 19433 5953 1 13 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.210 0.222 19433 5954 1 13 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.190 -3.186 19433 5955 1 13 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.638 -5.193 19433 5956 1 13 . 1 1 42 42 HIS H H 42 7.882 7.882 8.768 -0.886 19433 5957 1 13 . 1 1 43 43 ASP N N 43 119.308 119.308 119.274 0.034 19433 5958 1 13 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.712 0.326 19433 5959 1 13 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.921 -5.843 19433 5960 1 13 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.255 -1.546 19433 5961 1 13 . 1 1 43 43 ASP H H 43 7.906 7.906 7.744 0.162 19433 5962 1 13 . 1 1 44 44 SER N N 44 111.544 111.544 113.002 -1.458 19433 5963 1 13 . 1 1 44 44 SER HA H 44 5.617 5.617 5.622 -0.005 19433 5964 1 13 . 1 1 44 44 SER CA C 44 53.597 53.597 56.949 -3.352 19433 5965 1 13 . 1 1 44 44 SER CB C 44 65.207 65.207 66.232 -1.025 19433 5966 1 13 . 1 1 44 44 SER H H 44 8.396 8.396 8.496 -0.100 19433 5967 1 13 . 1 1 45 45 ILE N N 45 119.898 119.898 120.643 -0.745 19433 5968 1 13 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.588 -0.078 19433 5969 1 13 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.963 -3.923 19433 5970 1 13 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.123 -2.877 19433 5971 1 13 . 1 1 45 45 ILE H H 45 8.726 8.726 8.383 0.343 19433 5972 1 13 . 1 1 46 46 ASP N N 46 123.866 123.866 127.043 -3.177 19433 5973 1 13 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.613 -0.092 19433 5974 1 13 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.538 -3.165 19433 5975 1 13 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.332 -2.520 19433 5976 1 13 . 1 1 46 46 ASP H H 46 7.891 7.891 8.258 -0.367 19433 5977 1 13 . 1 1 47 47 PHE N N 47 116.649 116.649 121.904 -5.255 19433 5978 1 13 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.983 -0.210 19433 5979 1 13 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.442 -2.354 19433 5980 1 13 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.131 -3.391 19433 5981 1 13 . 1 1 47 47 PHE H H 47 8.654 8.654 8.607 0.047 19433 5982 1 13 . 1 1 48 48 SER N N 48 114.033 114.033 116.503 -2.470 19433 5983 1 13 . 1 1 48 48 SER HA H 48 4.729 4.729 4.315 0.414 19433 5984 1 13 . 1 1 48 48 SER CA C 48 49.403 49.403 58.748 -9.345 19433 5985 1 13 . 1 1 48 48 SER CB C 48 61.957 61.957 63.858 -1.901 19433 5986 1 13 . 1 1 48 48 SER H H 48 8.667 8.667 8.511 0.156 19433 5987 1 13 . 1 1 49 49 SER N N 49 119.169 119.169 121.017 -1.848 19433 5988 1 13 . 1 1 49 49 SER HA H 49 4.357 4.357 4.538 -0.181 19433 5989 1 13 . 1 1 49 49 SER CA C 49 55.003 55.003 57.424 -2.421 19433 5990 1 13 . 1 1 49 49 SER CB C 49 61.708 61.708 63.934 -2.226 19433 5991 1 13 . 1 1 49 49 SER H H 49 8.644 8.644 8.145 0.499 19433 5992 1 13 . 1 1 50 50 ASP N N 50 120.389 120.389 129.779 -9.390 19433 5993 1 13 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.680 -0.235 19433 5994 1 13 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.255 -1.823 19433 5995 1 13 . 1 1 50 50 ASP CB C 50 38.122 38.122 39.991 -1.869 19433 5996 1 13 . 1 1 50 50 ASP H H 50 8.743 8.743 9.344 -0.601 19433 5997 1 13 . 1 1 51 51 ALA N N 51 120.149 120.149 120.525 -0.376 19433 5998 1 13 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.666 -0.040 19433 5999 1 13 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.141 -2.439 19433 6000 1 13 . 1 1 51 51 ALA CB C 51 19.196 19.196 22.516 -3.320 19433 6001 1 13 . 1 1 51 51 ALA H H 51 8.178 8.178 7.674 0.504 19433 6002 1 13 . 1 1 52 52 GLY N N 52 106.575 106.575 107.843 -1.268 19433 6003 1 13 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.136 -3.269 19433 6004 1 13 . 1 1 52 52 GLY H H 52 8.465 8.465 8.859 -0.394 19433 6005 1 13 . 1 1 53 53 SER N N 53 111.247 111.247 112.166 -0.919 19433 6006 1 13 . 1 1 53 53 SER HA H 53 4.371 4.371 4.504 -0.133 19433 6007 1 13 . 1 1 53 53 SER CA C 53 55.270 55.270 56.894 -1.624 19433 6008 1 13 . 1 1 53 53 SER CB C 53 61.515 61.515 65.588 -4.073 19433 6009 1 13 . 1 1 53 53 SER H H 53 7.606 7.606 7.351 0.255 19433 6010 1 13 . 1 1 54 54 VAL N N 54 124.481 124.481 120.711 3.770 19433 6011 1 13 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.131 0.175 19433 6012 1 13 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.472 -1.698 19433 6013 1 13 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.366 -5.673 19433 6014 1 13 . 1 1 54 54 VAL H H 54 8.587 8.587 8.564 0.023 19433 6015 1 13 . 1 1 55 55 TYR N N 55 122.616 122.616 118.690 3.926 19433 6016 1 13 . 1 1 55 55 TYR HA H 55 5.181 5.181 4.983 0.198 19433 6017 1 13 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.839 -2.157 19433 6018 1 13 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.690 -2.813 19433 6019 1 13 . 1 1 55 55 TYR H H 55 8.586 8.586 8.246 0.340 19433 6020 1 13 . 1 1 56 56 LYS N N 56 121.197 121.197 118.386 2.811 19433 6021 1 13 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.821 -0.065 19433 6022 1 13 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.617 -2.211 19433 6023 1 13 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.171 -3.698 19433 6024 1 13 . 1 1 56 56 LYS H H 56 7.276 7.276 7.634 -0.358 19433 6025 1 13 . 1 1 57 57 MET N N 57 122.040 122.040 121.709 0.331 19433 6026 1 13 . 1 1 57 57 MET HA H 57 5.440 5.440 5.217 0.223 19433 6027 1 13 . 1 1 57 57 MET CA C 57 52.893 52.893 55.794 -2.901 19433 6028 1 13 . 1 1 57 57 MET CB C 57 35.646 35.646 37.202 -1.556 19433 6029 1 13 . 1 1 57 57 MET H H 57 8.637 8.637 9.066 -0.429 19433 6030 1 13 . 1 1 58 58 ASP N N 58 125.086 125.086 128.327 -3.241 19433 6031 1 13 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.196 0.544 19433 6032 1 13 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.193 -2.409 19433 6033 1 13 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.336 -0.996 19433 6034 1 13 . 1 1 58 58 ASP H H 58 9.367 9.367 8.819 0.548 19433 6035 1 13 . 1 1 59 59 VAL N N 59 120.817 120.817 120.855 -0.038 19433 6036 1 13 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.294 0.764 19433 6037 1 13 . 1 1 59 59 VAL CA C 59 58.103 58.103 61.867 -3.764 19433 6038 1 13 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.179 0.603 19433 6039 1 13 . 1 1 59 59 VAL H H 59 8.890 8.890 8.621 0.269 19433 6040 1 13 . 1 1 60 60 THR N N 60 120.028 120.028 117.019 3.009 19433 6041 1 13 . 1 1 60 60 THR HA H 60 5.125 5.125 4.740 0.385 19433 6042 1 13 . 1 1 60 60 THR CA C 60 56.923 56.923 60.635 -3.712 19433 6043 1 13 . 1 1 60 60 THR CB C 60 68.946 68.946 70.140 -1.194 19433 6044 1 13 . 1 1 60 60 THR H H 60 8.578 8.578 8.031 0.547 19433 6045 1 13 . 1 1 61 61 GLY N N 61 108.812 108.812 112.352 -3.540 19433 6046 1 13 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.745 -0.551 19433 6047 1 13 . 1 1 61 61 GLY H H 61 7.330 7.330 7.550 -0.220 19433 6048 1 13 . 1 1 62 62 THR N N 62 111.342 111.342 115.390 -4.048 19433 6049 1 13 . 1 1 62 62 THR HA H 62 5.333 5.333 5.366 -0.033 19433 6050 1 13 . 1 1 62 62 THR CA C 62 57.514 57.514 60.487 -2.973 19433 6051 1 13 . 1 1 62 62 THR CB C 62 69.348 69.348 71.806 -2.458 19433 6052 1 13 . 1 1 62 62 THR H H 62 8.013 8.013 8.062 -0.049 19433 6053 1 13 . 1 1 63 63 THR N N 63 115.003 115.003 117.067 -2.064 19433 6054 1 13 . 1 1 63 63 THR HA H 63 4.751 4.751 4.569 0.182 19433 6055 1 13 . 1 1 63 63 THR CA C 63 58.700 58.700 60.839 -2.139 19433 6056 1 13 . 1 1 63 63 THR CB C 63 68.654 68.654 70.144 -1.490 19433 6057 1 13 . 1 1 63 63 THR H H 63 9.432 9.432 8.825 0.607 19433 6058 1 13 . 1 1 64 64 GLN N N 64 120.671 120.671 120.938 -0.267 19433 6059 1 13 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.032 -0.190 19433 6060 1 13 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.471 -2.199 19433 6061 1 13 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.550 -2.464 19433 6062 1 13 . 1 1 64 64 GLN H H 64 8.037 8.037 8.520 -0.483 19433 6063 1 13 . 1 1 65 65 SER N N 65 110.096 110.096 112.899 -2.803 19433 6064 1 13 . 1 1 65 65 SER HA H 65 4.351 4.351 4.296 0.055 19433 6065 1 13 . 1 1 65 65 SER CA C 65 55.577 55.577 59.018 -3.441 19433 6066 1 13 . 1 1 65 65 SER CB C 65 60.350 60.350 63.853 -3.503 19433 6067 1 13 . 1 1 65 65 SER H H 65 7.670 7.670 7.737 -0.067 19433 6068 1 13 . 1 1 66 66 GLY N N 66 109.466 109.466 107.887 1.579 19433 6069 1 13 . 1 1 66 66 GLY CA C 66 42.650 42.650 44.504 -1.854 19433 6070 1 13 . 1 1 66 66 GLY H H 66 7.810 7.810 7.512 0.298 19433 6071 1 13 . 1 1 67 67 GLU N N 67 121.149 121.149 121.250 -0.101 19433 6072 1 13 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.344 -0.041 19433 6073 1 13 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.431 -2.512 19433 6074 1 13 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.840 -3.810 19433 6075 1 13 . 1 1 67 67 GLU H H 67 7.518 7.518 7.892 -0.374 19433 6076 1 13 . 1 1 68 68 LYS N N 68 124.553 124.553 125.399 -0.846 19433 6077 1 13 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.856 0.030 19433 6078 1 13 . 1 1 68 68 LYS CA C 68 53.002 53.002 56.046 -3.044 19433 6079 1 13 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.468 -2.969 19433 6080 1 13 . 1 1 68 68 LYS H H 68 8.631 8.631 8.461 0.170 19433 6081 1 13 . 1 1 69 69 PHE N N 69 119.363 119.363 120.802 -1.439 19433 6082 1 13 . 1 1 69 69 PHE HA H 69 5.162 5.162 4.995 0.167 19433 6083 1 13 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.581 -2.970 19433 6084 1 13 . 1 1 69 69 PHE CB C 69 39.531 39.531 40.744 -1.213 19433 6085 1 13 . 1 1 69 69 PHE H H 69 8.180 8.180 8.399 -0.219 19433 6086 1 13 . 1 1 70 70 THR N N 70 113.468 113.468 113.197 0.271 19433 6087 1 13 . 1 1 70 70 THR HA H 70 5.331 5.331 4.675 0.656 19433 6088 1 13 . 1 1 70 70 THR CA C 70 57.694 57.694 59.696 -2.002 19433 6089 1 13 . 1 1 70 70 THR CB C 70 69.969 69.969 72.092 -2.123 19433 6090 1 13 . 1 1 70 70 THR H H 70 8.623 8.623 8.212 0.411 19433 6091 1 13 . 1 1 71 71 GLY N N 71 110.469 110.469 109.539 0.930 19433 6092 1 13 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.799 -2.041 19433 6093 1 13 . 1 1 71 71 GLY H H 71 8.955 8.955 7.898 1.057 19433 6094 1 13 . 1 1 72 72 HIS N N 72 121.565 121.565 118.311 3.254 19433 6095 1 13 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.471 0.815 19433 6096 1 13 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.626 -4.706 19433 6097 1 13 . 1 1 72 72 HIS CB C 72 28.409 28.409 27.391 1.018 19433 6098 1 13 . 1 1 72 72 HIS H H 72 8.162 8.162 8.024 0.138 19433 6099 1 13 . 1 1 73 73 PHE N N 73 122.114 122.114 123.703 -1.589 19433 6100 1 13 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.839 0.155 19433 6101 1 13 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.069 -3.067 19433 6102 1 13 . 1 1 73 73 PHE CB C 73 40.278 40.278 43.448 -3.170 19433 6103 1 13 . 1 1 73 73 PHE H H 73 9.117 9.117 8.851 0.266 19433 6104 1 13 . 1 1 74 74 LYS N N 74 122.834 122.834 120.206 2.628 19433 6105 1 13 . 1 1 74 74 LYS HA H 74 4.876 4.876 5.025 -0.149 19433 6106 1 13 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.241 -2.440 19433 6107 1 13 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.108 -3.367 19433 6108 1 13 . 1 1 74 74 LYS H H 74 8.889 8.889 8.497 0.392 19433 6109 1 13 . 1 1 75 75 GLY N N 75 109.821 109.821 108.042 1.779 19433 6110 1 13 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.659 -1.424 19433 6111 1 13 . 1 1 75 75 GLY H H 75 8.418 8.418 8.367 0.051 19433 6112 1 13 . 1 1 76 76 LEU N N 76 119.557 119.557 119.283 0.274 19433 6113 1 13 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.453 -0.113 19433 6114 1 13 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.497 -2.123 19433 6115 1 13 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.968 -3.309 19433 6116 1 13 . 1 1 76 76 LEU H H 76 7.893 7.893 7.859 0.034 19433 6117 1 13 . 1 1 77 77 VAL N N 77 118.411 118.411 116.770 1.641 19433 6118 1 13 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.519 -0.126 19433 6119 1 13 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.071 -1.626 19433 6120 1 13 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.498 -2.286 19433 6121 1 13 . 1 1 77 77 VAL H H 77 8.583 8.583 8.264 0.319 19433 6122 1 13 . 1 1 78 78 GLY N N 78 111.284 111.284 108.427 2.857 19433 6123 1 13 . 1 1 78 78 GLY CA C 78 41.998 41.998 45.998 -3.999 19433 6124 1 13 . 1 1 78 78 GLY H H 78 8.218 8.218 8.513 -0.295 19433 6125 1 13 . 1 1 79 79 LYS N N 79 120.895 120.895 123.321 -2.426 19433 6126 1 13 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.564 -0.287 19433 6127 1 13 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.738 -1.287 19433 6128 1 13 . 1 1 79 79 LYS CB C 79 30.277 30.277 33.153 -2.876 19433 6129 1 13 . 1 1 79 79 LYS H H 79 8.347 8.347 8.408 -0.061 19433 6130 1 13 . 1 1 80 80 ASP N N 80 119.681 119.681 117.172 2.509 19433 6131 1 13 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.217 -0.410 19433 6132 1 13 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.844 -1.610 19433 6133 1 13 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.548 -4.524 19433 6134 1 13 . 1 1 80 80 ASP H H 80 7.993 7.993 7.766 0.227 19433 6135 1 13 . 1 1 81 81 THR N N 81 118.659 118.659 112.412 6.247 19433 6136 1 13 . 1 1 81 81 THR HA H 81 4.076 4.076 4.545 -0.469 19433 6137 1 13 . 1 1 81 81 THR CA C 81 60.371 60.371 60.973 -0.602 19433 6138 1 13 . 1 1 81 81 THR CB C 81 67.694 67.694 71.761 -4.067 19433 6139 1 13 . 1 1 81 81 THR H H 81 8.002 8.002 7.984 0.018 19433 6140 1 13 . 1 1 82 82 ARG N N 82 127.944 127.944 120.615 7.329 19433 6141 1 13 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.092 -0.495 19433 6142 1 13 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.472 -2.301 19433 6143 1 13 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.904 -4.296 19433 6144 1 13 . 1 1 82 82 ARG H H 82 8.183 8.183 8.183 -0.000 19433 6145 1 13 . 1 1 83 83 VAL N N 83 121.617 121.617 118.763 2.854 19433 6146 1 13 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.210 -0.146 19433 6147 1 13 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.478 -3.803 19433 6148 1 13 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.526 -4.212 19433 6149 1 13 . 1 1 83 83 VAL H H 83 8.639 8.639 8.405 0.234 19433 6150 1 13 . 1 1 84 84 PHE N N 84 124.702 124.702 127.097 -2.395 19433 6151 1 13 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.755 0.212 19433 6152 1 13 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.956 -1.157 19433 6153 1 13 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.028 0.660 19433 6154 1 13 . 1 1 84 84 PHE H H 84 9.198 9.198 8.955 0.243 19433 6155 1 13 . 1 1 85 85 ILE N N 85 123.027 123.027 124.929 -1.902 19433 6156 1 13 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.465 -0.018 19433 6157 1 13 . 1 1 85 85 ILE CA C 85 57.913 57.913 61.828 -3.915 19433 6158 1 13 . 1 1 85 85 ILE CB C 85 35.870 35.870 38.052 -2.182 19433 6159 1 13 . 1 1 85 85 ILE H H 85 8.650 8.650 7.951 0.699 19433 6160 1 13 . 1 1 86 86 GLU N N 86 124.137 124.137 124.273 -0.136 19433 6161 1 13 . 1 1 86 86 GLU HA H 86 4.575 4.575 5.008 -0.433 19433 6162 1 13 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.035 -2.504 19433 6163 1 13 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.263 -1.736 19433 6164 1 13 . 1 1 86 86 GLU H H 86 8.754 8.754 8.142 0.612 19433 6165 1 13 . 1 1 87 87 LEU N N 87 120.087 120.087 121.522 -1.435 19433 6166 1 13 . 1 1 87 87 LEU HA H 87 4.861 4.861 4.980 -0.119 19433 6167 1 13 . 1 1 87 87 LEU CA C 87 51.130 51.130 55.109 -3.979 19433 6168 1 13 . 1 1 87 87 LEU CB C 87 41.260 41.260 42.375 -1.115 19433 6169 1 13 . 1 1 87 87 LEU H H 87 8.394 8.394 8.590 -0.196 19433 6170 1 13 . 1 1 88 88 ASP N N 88 123.072 123.072 118.614 4.458 19433 6171 1 13 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.849 -0.190 19433 6172 1 13 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.108 -3.889 19433 6173 1 13 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.894 -4.787 19433 6174 1 13 . 1 1 88 88 ASP H H 88 8.770 8.770 7.947 0.823 19433 6175 1 13 . 1 1 89 89 GLU N N 89 117.437 117.437 117.861 -0.424 19433 6176 1 13 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.912 0.164 19433 6177 1 13 . 1 1 89 89 GLU CA C 89 55.988 55.988 58.974 -2.986 19433 6178 1 13 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.585 -2.423 19433 6179 1 13 . 1 1 89 89 GLU H H 89 9.033 9.033 8.825 0.208 19433 6180 1 13 . 1 1 90 90 ASN N N 90 118.824 118.824 119.283 -0.459 19433 6181 1 13 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.795 -0.009 19433 6182 1 13 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.377 -2.208 19433 6183 1 13 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.539 -2.844 19433 6184 1 13 . 1 1 90 90 ASN H H 90 8.351 8.351 8.297 0.054 19433 6185 1 13 . 1 1 91 91 ALA N N 91 118.167 118.167 121.173 -3.006 19433 6186 1 13 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.658 0.094 19433 6187 1 13 . 1 1 91 91 ALA CA C 91 51.255 51.255 52.912 -1.657 19433 6188 1 13 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.262 -3.344 19433 6189 1 13 . 1 1 91 91 ALA H H 91 8.284 8.284 8.149 0.135 19433 6190 1 13 . 1 1 92 92 ASP N N 92 118.574 118.574 118.566 0.008 19433 6191 1 13 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.934 -0.002 19433 6192 1 13 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.501 -2.685 19433 6193 1 13 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.511 -4.341 19433 6194 1 13 . 1 1 92 92 ASP H H 92 8.215 8.215 8.207 0.008 19433 6195 1 13 . 1 1 93 93 VAL N N 93 121.604 121.604 119.549 2.055 19433 6196 1 13 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.347 -0.278 19433 6197 1 13 . 1 1 93 93 VAL CA C 93 60.454 60.454 61.710 -1.256 19433 6198 1 13 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.497 -1.509 19433 6199 1 13 . 1 1 93 93 VAL H H 93 8.440 8.440 8.446 -0.006 19433 6200 1 13 . 1 1 94 94 GLN N N 94 125.344 125.344 124.643 0.701 19433 6201 1 13 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.654 0.107 19433 6202 1 13 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.349 -3.035 19433 6203 1 13 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.009 -1.610 19433 6204 1 13 . 1 1 94 94 GLN H H 94 8.958 8.958 7.810 1.148 19433 6205 1 13 . 1 1 95 95 VAL N N 95 119.370 119.370 121.025 -1.655 19433 6206 1 13 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.438 0.623 19433 6207 1 13 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.979 -4.699 19433 6208 1 13 . 1 1 95 95 VAL CB C 95 30.926 30.926 33.897 -2.971 19433 6209 1 13 . 1 1 95 95 VAL H H 95 8.420 8.420 8.430 -0.010 19433 6210 1 13 . 1 1 96 96 PHE N N 96 126.219 126.219 128.594 -2.375 19433 6211 1 13 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.120 -0.088 19433 6212 1 13 . 1 1 96 96 PHE CA C 96 53.890 53.890 55.952 -2.062 19433 6213 1 13 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.654 -3.151 19433 6214 1 13 . 1 1 96 96 PHE H H 96 9.314 9.314 9.273 0.041 19433 6215 1 13 . 1 1 97 97 ILE N N 97 123.424 123.424 115.498 7.926 19433 6216 1 13 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.254 0.560 19433 6217 1 13 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.192 -2.126 19433 6218 1 13 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.639 -3.362 19433 6219 1 13 . 1 1 97 97 ILE H H 97 7.613 7.613 7.404 0.209 19433 6220 1 13 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.513 -0.243 19433 6221 1 13 . 1 1 98 98 PRO CA C 98 59.998 59.998 63.066 -3.068 19433 6222 1 13 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.453 -1.796 19433 6223 1 13 . 1 1 99 99 GLN N N 99 121.028 121.028 123.846 -2.818 19433 6224 1 13 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.563 -0.108 19433 6225 1 13 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.983 -2.363 19433 6226 1 13 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.627 -3.184 19433 6227 1 13 . 1 1 99 99 GLN H H 99 8.507 8.507 8.445 0.062 19433 6228 1 13 . 1 1 100 100 GLY N N 100 110.029 110.029 107.380 2.649 19433 6229 1 13 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.692 -3.064 19433 6230 1 13 . 1 1 100 100 GLY H H 100 8.356 8.356 8.521 -0.165 19433 6231 1 13 . 1 1 101 101 GLU N N 101 120.385 120.385 120.131 0.254 19433 6232 1 13 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.574 -0.283 19433 6233 1 13 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.733 -1.982 19433 6234 1 13 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.836 -1.006 19433 6235 1 13 . 1 1 101 101 GLU H H 101 8.378 8.378 8.525 -0.147 19433 6236 1 13 . 1 1 102 102 ILE N N 102 120.838 120.838 117.566 3.272 19433 6237 1 13 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.456 -0.290 19433 6238 1 13 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.957 -2.589 19433 6239 1 13 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.225 -1.512 19433 6240 1 13 . 1 1 102 102 ILE H H 102 8.168 8.168 7.824 0.344 19433 6241 1 14 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.445 -0.214 19433 6242 1 14 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.113 -1.580 19433 6243 1 14 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.444 -2.800 19433 6244 1 14 . 1 1 3 3 GLN N N 3 118.180 118.180 118.551 -0.371 19433 6245 1 14 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.109 0.159 19433 6246 1 14 . 1 1 3 3 GLN CB C 3 26.439 26.439 28.931 -2.492 19433 6247 1 14 . 1 1 3 3 GLN H H 3 8.579 8.579 8.098 0.481 19433 6248 1 14 . 1 1 4 4 ASP N N 4 120.328 120.328 117.290 3.038 19433 6249 1 14 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.619 -0.122 19433 6250 1 14 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.183 -2.418 19433 6251 1 14 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.215 -2.693 19433 6252 1 14 . 1 1 4 4 ASP H H 4 8.061 8.061 8.465 -0.404 19433 6253 1 14 . 1 1 5 5 GLY N N 5 109.114 109.114 109.575 -0.461 19433 6254 1 14 . 1 1 5 5 GLY CA C 5 43.030 43.030 44.878 -1.848 19433 6255 1 14 . 1 1 5 5 GLY H H 5 8.322 8.322 8.428 -0.106 19433 6256 1 14 . 1 1 6 6 LYS N N 6 120.397 120.397 120.960 -0.563 19433 6257 1 14 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.568 -0.271 19433 6258 1 14 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.559 -3.240 19433 6259 1 14 . 1 1 6 6 LYS CB C 6 30.441 30.441 34.133 -3.692 19433 6260 1 14 . 1 1 6 6 LYS H H 6 8.030 8.030 7.924 0.106 19433 6261 1 14 . 1 1 7 7 GLU N N 7 122.113 122.113 125.852 -3.739 19433 6262 1 14 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.383 -0.088 19433 6263 1 14 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.101 -2.814 19433 6264 1 14 . 1 1 7 7 GLU CB C 7 27.757 27.757 28.098 -0.341 19433 6265 1 14 . 1 1 7 7 GLU H H 7 8.464 8.464 8.711 -0.247 19433 6266 1 14 . 1 1 8 8 THR N N 8 114.459 114.459 109.396 5.063 19433 6267 1 14 . 1 1 8 8 THR HA H 8 4.543 4.543 4.585 -0.042 19433 6268 1 14 . 1 1 8 8 THR CA C 8 57.966 57.966 59.886 -1.921 19433 6269 1 14 . 1 1 8 8 THR CB C 8 68.123 68.123 71.322 -3.199 19433 6270 1 14 . 1 1 8 8 THR H H 8 7.984 7.984 7.186 0.798 19433 6271 1 14 . 1 1 9 9 THR N N 9 116.229 116.229 116.801 -0.572 19433 6272 1 14 . 1 1 9 9 THR HA H 9 4.584 4.584 4.675 -0.091 19433 6273 1 14 . 1 1 9 9 THR CA C 9 58.575 58.575 61.252 -2.677 19433 6274 1 14 . 1 1 9 9 THR CB C 9 67.866 67.866 70.135 -2.269 19433 6275 1 14 . 1 1 9 9 THR H H 9 8.140 8.140 8.554 -0.414 19433 6276 1 14 . 1 1 10 10 THR N N 10 118.509 118.509 114.495 4.014 19433 6277 1 14 . 1 1 10 10 THR HA H 10 4.563 4.563 4.744 -0.181 19433 6278 1 14 . 1 1 10 10 THR CA C 10 59.364 59.364 61.495 -2.131 19433 6279 1 14 . 1 1 10 10 THR CB C 10 68.411 68.411 71.811 -3.400 19433 6280 1 14 . 1 1 10 10 THR H H 10 8.544 8.544 7.753 0.791 19433 6281 1 14 . 1 1 11 11 ILE N N 11 126.772 126.772 122.172 4.600 19433 6282 1 14 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.491 -0.466 19433 6283 1 14 . 1 1 11 11 ILE CA C 11 57.323 57.323 58.780 -1.457 19433 6284 1 14 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.694 -5.354 19433 6285 1 14 . 1 1 11 11 ILE H H 11 8.595 8.595 8.711 -0.116 19433 6286 1 14 . 1 1 12 12 ARG N N 12 125.922 125.922 122.757 3.165 19433 6287 1 14 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.593 0.400 19433 6288 1 14 . 1 1 12 12 ARG CA C 12 50.890 50.890 55.350 -4.460 19433 6289 1 14 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.448 -2.484 19433 6290 1 14 . 1 1 12 12 ARG H H 12 8.031 8.031 8.284 -0.253 19433 6291 1 14 . 1 1 13 13 LEU N N 13 126.771 126.771 126.949 -0.178 19433 6292 1 14 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.677 0.266 19433 6293 1 14 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.760 -3.134 19433 6294 1 14 . 1 1 13 13 LEU CB C 13 42.033 42.033 42.386 -0.353 19433 6295 1 14 . 1 1 13 13 LEU H H 13 8.828 8.828 9.024 -0.196 19433 6296 1 14 . 1 1 14 14 ILE N N 14 123.438 123.438 124.775 -1.337 19433 6297 1 14 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.627 -0.450 19433 6298 1 14 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.350 -1.836 19433 6299 1 14 . 1 1 14 14 ILE CB C 14 38.667 38.667 39.685 -1.018 19433 6300 1 14 . 1 1 14 14 ILE H H 14 8.847 8.847 8.582 0.265 19433 6301 1 14 . 1 1 15 15 ASN N N 15 123.130 123.130 123.715 -0.585 19433 6302 1 14 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.943 -0.063 19433 6303 1 14 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.702 -3.034 19433 6304 1 14 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.283 -3.462 19433 6305 1 14 . 1 1 15 15 ASN H H 15 8.446 8.446 8.988 -0.542 19433 6306 1 14 . 1 1 16 16 GLN N N 16 125.061 125.061 118.964 6.097 19433 6307 1 14 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.283 1.248 19433 6308 1 14 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.905 -3.745 19433 6309 1 14 . 1 1 16 16 GLN CB C 16 26.904 26.904 28.281 -1.377 19433 6310 1 14 . 1 1 16 16 GLN H H 16 9.063 9.063 7.735 1.328 19433 6311 1 14 . 1 1 17 17 THR N N 17 110.936 110.936 110.652 0.284 19433 6312 1 14 . 1 1 17 17 THR HA H 17 4.415 4.415 3.995 0.420 19433 6313 1 14 . 1 1 17 17 THR CA C 17 58.240 58.240 60.383 -2.143 19433 6314 1 14 . 1 1 17 17 THR CB C 17 67.913 67.913 69.217 -1.304 19433 6315 1 14 . 1 1 17 17 THR H H 17 7.765 7.765 7.156 0.609 19433 6316 1 14 . 1 1 18 18 TYR N N 18 112.380 112.380 117.561 -5.181 19433 6317 1 14 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.752 -0.397 19433 6318 1 14 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.163 -1.134 19433 6319 1 14 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.305 -2.738 19433 6320 1 14 . 1 1 18 18 TYR H H 18 6.950 6.950 8.030 -1.080 19433 6321 1 14 . 1 1 19 19 PHE N N 19 119.710 119.710 116.439 3.271 19433 6322 1 14 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.854 0.142 19433 6323 1 14 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.978 -2.968 19433 6324 1 14 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.099 -1.629 19433 6325 1 14 . 1 1 19 19 PHE H H 19 8.014 8.014 6.752 1.262 19433 6326 1 14 . 1 1 20 20 ASN N N 20 117.921 117.921 117.848 0.073 19433 6327 1 14 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.423 -0.734 19433 6328 1 14 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.311 -0.274 19433 6329 1 14 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.259 -4.953 19433 6330 1 14 . 1 1 20 20 ASN H H 20 8.724 8.724 8.482 0.242 19433 6331 1 14 . 1 1 21 21 VAL N N 21 115.311 115.311 115.972 -0.661 19433 6332 1 14 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.809 0.075 19433 6333 1 14 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.717 -2.216 19433 6334 1 14 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.732 -3.887 19433 6335 1 14 . 1 1 21 21 VAL H H 21 8.186 8.186 8.916 -0.730 19433 6336 1 14 . 1 1 22 22 LYS N N 22 119.772 119.772 119.498 0.274 19433 6337 1 14 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.782 0.220 19433 6338 1 14 . 1 1 22 22 LYS CA C 22 51.533 51.533 56.276 -4.743 19433 6339 1 14 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.878 0.387 19433 6340 1 14 . 1 1 22 22 LYS H H 22 9.331 9.331 8.318 1.013 19433 6341 1 14 . 1 1 23 23 ASN N N 23 116.781 116.781 115.058 1.723 19433 6342 1 14 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.778 -0.575 19433 6343 1 14 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.761 -1.828 19433 6344 1 14 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.078 -4.558 19433 6345 1 14 . 1 1 23 23 ASN H H 23 8.573 8.573 8.161 0.412 19433 6346 1 14 . 1 1 24 24 ILE N N 24 118.303 118.303 122.651 -4.348 19433 6347 1 14 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.151 0.593 19433 6348 1 14 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.819 -4.275 19433 6349 1 14 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.865 -1.629 19433 6350 1 14 . 1 1 24 24 ILE H H 24 8.329 8.329 7.623 0.706 19433 6351 1 14 . 1 1 25 25 LYS N N 25 129.189 129.189 128.638 0.551 19433 6352 1 14 . 1 1 25 25 LYS HA H 25 4.886 4.886 5.514 -0.628 19433 6353 1 14 . 1 1 25 25 LYS CA C 25 52.761 52.761 54.637 -1.876 19433 6354 1 14 . 1 1 25 25 LYS CB C 25 31.647 31.647 35.865 -4.218 19433 6355 1 14 . 1 1 25 25 LYS H H 25 9.102 9.102 8.986 0.116 19433 6356 1 14 . 1 1 26 26 VAL N N 26 129.283 129.283 120.774 8.509 19433 6357 1 14 . 1 1 26 26 VAL HA H 26 4.966 4.966 5.279 -0.313 19433 6358 1 14 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.343 -1.244 19433 6359 1 14 . 1 1 26 26 VAL CB C 26 31.370 31.370 35.389 -4.019 19433 6360 1 14 . 1 1 26 26 VAL H H 26 9.057 9.057 9.145 -0.088 19433 6361 1 14 . 1 1 27 27 THR N N 27 120.185 120.185 119.729 0.456 19433 6362 1 14 . 1 1 27 27 THR HA H 27 5.542 5.542 5.342 0.200 19433 6363 1 14 . 1 1 27 27 THR CA C 27 56.977 56.977 62.118 -5.141 19433 6364 1 14 . 1 1 27 27 THR CB C 27 68.220 68.220 70.354 -2.134 19433 6365 1 14 . 1 1 27 27 THR H H 27 9.177 9.177 8.745 0.432 19433 6366 1 14 . 1 1 28 28 TRP N N 28 123.046 123.046 125.407 -2.361 19433 6367 1 14 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.380 0.011 19433 6368 1 14 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.635 -2.018 19433 6369 1 14 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.853 -0.891 19433 6370 1 14 . 1 1 28 28 TRP H H 28 8.787 8.787 7.603 1.184 19433 6371 1 14 . 1 1 29 29 ASN N N 29 116.792 116.792 116.753 0.039 19433 6372 1 14 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.652 -1.236 19433 6373 1 14 . 1 1 29 29 ASN CA C 29 51.265 51.265 53.085 -1.820 19433 6374 1 14 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.730 -7.551 19433 6375 1 14 . 1 1 29 29 ASN H H 29 8.193 8.193 7.263 0.930 19433 6376 1 14 . 1 1 30 30 ASP N N 30 118.710 118.710 119.324 -0.614 19433 6377 1 14 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.564 -0.047 19433 6378 1 14 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.957 -3.495 19433 6379 1 14 . 1 1 30 30 ASP CB C 30 36.498 36.498 40.731 -4.233 19433 6380 1 14 . 1 1 30 30 ASP H H 30 8.937 8.937 8.571 0.366 19433 6381 1 14 . 1 1 31 31 GLY N N 31 106.542 106.542 106.728 -0.186 19433 6382 1 14 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.083 -1.617 19433 6383 1 14 . 1 1 31 31 GLY H H 31 7.594 7.594 7.531 0.063 19433 6384 1 14 . 1 1 32 32 LYS N N 32 121.904 121.904 121.276 0.628 19433 6385 1 14 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.480 -0.591 19433 6386 1 14 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.833 -2.008 19433 6387 1 14 . 1 1 32 32 LYS CB C 32 28.130 28.130 34.061 -5.931 19433 6388 1 14 . 1 1 32 32 LYS H H 32 7.510 7.510 7.423 0.087 19433 6389 1 14 . 1 1 33 33 GLU N N 33 119.124 119.124 121.618 -2.494 19433 6390 1 14 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.669 -0.389 19433 6391 1 14 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.145 -1.814 19433 6392 1 14 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.355 -1.646 19433 6393 1 14 . 1 1 33 33 GLU H H 33 7.843 7.843 8.367 -0.524 19433 6394 1 14 . 1 1 34 34 GLN N N 34 123.230 123.230 118.735 4.495 19433 6395 1 14 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.776 -0.353 19433 6396 1 14 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.567 -2.270 19433 6397 1 14 . 1 1 34 34 GLN CB C 34 30.242 30.242 33.382 -3.140 19433 6398 1 14 . 1 1 34 34 GLN H H 34 9.114 9.114 8.656 0.458 19433 6399 1 14 . 1 1 35 35 THR N N 35 119.194 119.194 114.841 4.353 19433 6400 1 14 . 1 1 35 35 THR HA H 35 5.241 5.241 5.309 -0.068 19433 6401 1 14 . 1 1 35 35 THR CA C 35 58.075 58.075 59.617 -1.542 19433 6402 1 14 . 1 1 35 35 THR CB C 35 67.936 67.936 70.989 -3.053 19433 6403 1 14 . 1 1 35 35 THR H H 35 8.397 8.397 8.281 0.116 19433 6404 1 14 . 1 1 36 36 VAL N N 36 126.317 126.317 124.503 1.814 19433 6405 1 14 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.167 -0.001 19433 6406 1 14 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.417 -3.121 19433 6407 1 14 . 1 1 36 36 VAL CB C 36 31.785 31.785 33.717 -1.932 19433 6408 1 14 . 1 1 36 36 VAL H H 36 8.976 8.976 8.656 0.320 19433 6409 1 14 . 1 1 37 37 ASN N N 37 126.536 126.536 124.981 1.555 19433 6410 1 14 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.379 -0.018 19433 6411 1 14 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.892 -0.798 19433 6412 1 14 . 1 1 37 37 ASN CB C 37 35.754 35.754 39.011 -3.257 19433 6413 1 14 . 1 1 37 37 ASN H H 37 8.974 8.974 8.921 0.053 19433 6414 1 14 . 1 1 38 38 THR N N 38 112.460 112.460 112.260 0.200 19433 6415 1 14 . 1 1 38 38 THR HA H 38 4.850 4.850 4.794 0.056 19433 6416 1 14 . 1 1 38 38 THR CA C 38 58.536 58.536 61.511 -2.975 19433 6417 1 14 . 1 1 38 38 THR CB C 38 69.085 69.085 71.942 -2.857 19433 6418 1 14 . 1 1 38 38 THR H H 38 7.762 7.762 7.791 -0.029 19433 6419 1 14 . 1 1 39 39 LEU N N 39 126.316 126.316 123.396 2.920 19433 6420 1 14 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.806 -0.263 19433 6421 1 14 . 1 1 39 39 LEU CA C 39 51.785 51.785 54.087 -2.302 19433 6422 1 14 . 1 1 39 39 LEU CB C 39 42.341 42.341 46.034 -3.693 19433 6423 1 14 . 1 1 39 39 LEU H H 39 8.572 8.572 9.024 -0.452 19433 6424 1 14 . 1 1 40 40 GLY N N 40 116.669 116.669 111.614 5.055 19433 6425 1 14 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.131 -1.866 19433 6426 1 14 . 1 1 40 40 GLY H H 40 9.303 9.303 8.102 1.201 19433 6427 1 14 . 1 1 41 41 SER N N 41 113.384 113.384 116.764 -3.380 19433 6428 1 14 . 1 1 41 41 SER HA H 41 3.612 3.612 4.181 -0.569 19433 6429 1 14 . 1 1 41 41 SER CA C 41 56.211 56.211 59.535 -3.324 19433 6430 1 14 . 1 1 41 41 SER CB C 41 60.482 60.482 63.005 -2.523 19433 6431 1 14 . 1 1 41 41 SER H H 41 7.883 7.883 8.601 -0.718 19433 6432 1 14 . 1 1 42 42 HIS N N 42 120.045 120.045 119.361 0.684 19433 6433 1 14 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.182 0.250 19433 6434 1 14 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.159 -3.155 19433 6435 1 14 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.316 -4.871 19433 6436 1 14 . 1 1 42 42 HIS H H 42 7.882 7.882 8.965 -1.083 19433 6437 1 14 . 1 1 43 43 ASP N N 43 119.308 119.308 118.960 0.348 19433 6438 1 14 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.631 0.406 19433 6439 1 14 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.289 -5.212 19433 6440 1 14 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.051 -1.342 19433 6441 1 14 . 1 1 43 43 ASP H H 43 7.906 7.906 7.962 -0.056 19433 6442 1 14 . 1 1 44 44 SER N N 44 111.544 111.544 114.388 -2.844 19433 6443 1 14 . 1 1 44 44 SER HA H 44 5.617 5.617 5.582 0.035 19433 6444 1 14 . 1 1 44 44 SER CA C 44 53.597 53.597 56.867 -3.270 19433 6445 1 14 . 1 1 44 44 SER CB C 44 65.207 65.207 66.324 -1.117 19433 6446 1 14 . 1 1 44 44 SER H H 44 8.396 8.396 8.522 -0.126 19433 6447 1 14 . 1 1 45 45 ILE N N 45 119.898 119.898 120.968 -1.070 19433 6448 1 14 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.603 -0.093 19433 6449 1 14 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.309 -3.269 19433 6450 1 14 . 1 1 45 45 ILE CB C 45 39.246 39.246 41.535 -2.289 19433 6451 1 14 . 1 1 45 45 ILE H H 45 8.726 8.726 8.233 0.493 19433 6452 1 14 . 1 1 46 46 ASP N N 46 123.866 123.866 125.931 -2.065 19433 6453 1 14 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.258 0.263 19433 6454 1 14 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.540 -3.167 19433 6455 1 14 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.878 -2.066 19433 6456 1 14 . 1 1 46 46 ASP H H 46 7.891 7.891 8.269 -0.378 19433 6457 1 14 . 1 1 47 47 PHE N N 47 116.649 116.649 117.440 -0.791 19433 6458 1 14 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.818 -0.045 19433 6459 1 14 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.728 -2.640 19433 6460 1 14 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.004 -3.264 19433 6461 1 14 . 1 1 47 47 PHE H H 47 8.654 8.654 7.578 1.076 19433 6462 1 14 . 1 1 48 48 SER N N 48 114.033 114.033 116.922 -2.889 19433 6463 1 14 . 1 1 48 48 SER HA H 48 4.729 4.729 4.511 0.218 19433 6464 1 14 . 1 1 48 48 SER CA C 48 49.403 49.403 59.010 -9.607 19433 6465 1 14 . 1 1 48 48 SER CB C 48 61.957 61.957 63.656 -1.699 19433 6466 1 14 . 1 1 48 48 SER H H 48 8.667 8.667 8.561 0.106 19433 6467 1 14 . 1 1 49 49 SER N N 49 119.169 119.169 115.741 3.428 19433 6468 1 14 . 1 1 49 49 SER HA H 49 4.357 4.357 4.597 -0.240 19433 6469 1 14 . 1 1 49 49 SER CA C 49 55.003 55.003 56.832 -1.829 19433 6470 1 14 . 1 1 49 49 SER CB C 49 61.708 61.708 65.387 -3.679 19433 6471 1 14 . 1 1 49 49 SER H H 49 8.644 8.644 8.154 0.490 19433 6472 1 14 . 1 1 50 50 ASP N N 50 120.389 120.389 120.339 0.050 19433 6473 1 14 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.887 -0.442 19433 6474 1 14 . 1 1 50 50 ASP CA C 50 52.432 52.432 53.759 -1.327 19433 6475 1 14 . 1 1 50 50 ASP CB C 50 38.122 38.122 41.181 -3.058 19433 6476 1 14 . 1 1 50 50 ASP H H 50 8.743 8.743 8.959 -0.216 19433 6477 1 14 . 1 1 51 51 ALA N N 51 120.149 120.149 122.041 -1.892 19433 6478 1 14 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.711 -0.085 19433 6479 1 14 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.641 -2.939 19433 6480 1 14 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.498 -2.302 19433 6481 1 14 . 1 1 51 51 ALA H H 51 8.178 8.178 7.493 0.685 19433 6482 1 14 . 1 1 52 52 GLY N N 52 106.575 106.575 107.379 -0.804 19433 6483 1 14 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.634 -2.767 19433 6484 1 14 . 1 1 52 52 GLY H H 52 8.465 8.465 8.802 -0.337 19433 6485 1 14 . 1 1 53 53 SER N N 53 111.247 111.247 113.639 -2.392 19433 6486 1 14 . 1 1 53 53 SER HA H 53 4.371 4.371 4.541 -0.170 19433 6487 1 14 . 1 1 53 53 SER CA C 53 55.270 55.270 56.900 -1.630 19433 6488 1 14 . 1 1 53 53 SER CB C 53 61.515 61.515 64.466 -2.950 19433 6489 1 14 . 1 1 53 53 SER H H 53 7.606 7.606 7.557 0.049 19433 6490 1 14 . 1 1 54 54 VAL N N 54 124.481 124.481 121.817 2.664 19433 6491 1 14 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.221 0.085 19433 6492 1 14 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.312 -1.537 19433 6493 1 14 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.156 -5.463 19433 6494 1 14 . 1 1 54 54 VAL H H 54 8.587 8.587 8.564 0.023 19433 6495 1 14 . 1 1 55 55 TYR N N 55 122.616 122.616 117.000 5.616 19433 6496 1 14 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.192 -0.011 19433 6497 1 14 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.691 -2.009 19433 6498 1 14 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.795 -2.918 19433 6499 1 14 . 1 1 55 55 TYR H H 55 8.586 8.586 8.437 0.149 19433 6500 1 14 . 1 1 56 56 LYS N N 56 121.197 121.197 119.222 1.975 19433 6501 1 14 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.010 -0.254 19433 6502 1 14 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.413 -2.007 19433 6503 1 14 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.740 -4.267 19433 6504 1 14 . 1 1 56 56 LYS H H 56 7.276 7.276 7.685 -0.409 19433 6505 1 14 . 1 1 57 57 MET N N 57 122.040 122.040 120.951 1.089 19433 6506 1 14 . 1 1 57 57 MET HA H 57 5.440 5.440 5.322 0.118 19433 6507 1 14 . 1 1 57 57 MET CA C 57 52.893 52.893 55.296 -2.403 19433 6508 1 14 . 1 1 57 57 MET CB C 57 35.646 35.646 37.810 -2.164 19433 6509 1 14 . 1 1 57 57 MET H H 57 8.637 8.637 9.046 -0.409 19433 6510 1 14 . 1 1 58 58 ASP N N 58 125.086 125.086 127.673 -2.587 19433 6511 1 14 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.335 0.405 19433 6512 1 14 . 1 1 58 58 ASP CA C 58 50.784 50.784 52.927 -2.143 19433 6513 1 14 . 1 1 58 58 ASP CB C 58 42.339 42.339 42.768 -0.429 19433 6514 1 14 . 1 1 58 58 ASP H H 58 9.367 9.367 8.880 0.487 19433 6515 1 14 . 1 1 59 59 VAL N N 59 120.817 120.817 124.842 -4.025 19433 6516 1 14 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.612 0.446 19433 6517 1 14 . 1 1 59 59 VAL CA C 59 58.103 58.103 62.399 -4.296 19433 6518 1 14 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.124 0.658 19433 6519 1 14 . 1 1 59 59 VAL H H 59 8.890 8.890 8.888 0.002 19433 6520 1 14 . 1 1 60 60 THR N N 60 120.028 120.028 119.556 0.472 19433 6521 1 14 . 1 1 60 60 THR HA H 60 5.125 5.125 4.952 0.173 19433 6522 1 14 . 1 1 60 60 THR CA C 60 56.923 56.923 60.596 -3.673 19433 6523 1 14 . 1 1 60 60 THR CB C 60 68.946 68.946 70.011 -1.065 19433 6524 1 14 . 1 1 60 60 THR H H 60 8.578 8.578 8.939 -0.361 19433 6525 1 14 . 1 1 61 61 GLY N N 61 108.812 108.812 113.665 -4.853 19433 6526 1 14 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.931 -0.737 19433 6527 1 14 . 1 1 61 61 GLY H H 61 7.330 7.330 8.508 -1.178 19433 6528 1 14 . 1 1 62 62 THR N N 62 111.342 111.342 114.858 -3.516 19433 6529 1 14 . 1 1 62 62 THR HA H 62 5.333 5.333 5.162 0.171 19433 6530 1 14 . 1 1 62 62 THR CA C 62 57.514 57.514 60.569 -3.055 19433 6531 1 14 . 1 1 62 62 THR CB C 62 69.348 69.348 71.884 -2.536 19433 6532 1 14 . 1 1 62 62 THR H H 62 8.013 8.013 7.855 0.158 19433 6533 1 14 . 1 1 63 63 THR N N 63 115.003 115.003 116.437 -1.434 19433 6534 1 14 . 1 1 63 63 THR HA H 63 4.751 4.751 4.111 0.640 19433 6535 1 14 . 1 1 63 63 THR CA C 63 58.700 58.700 61.322 -2.622 19433 6536 1 14 . 1 1 63 63 THR CB C 63 68.654 68.654 70.053 -1.399 19433 6537 1 14 . 1 1 63 63 THR H H 63 9.432 9.432 8.949 0.483 19433 6538 1 14 . 1 1 64 64 GLN N N 64 120.671 120.671 121.541 -0.870 19433 6539 1 14 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.043 -0.201 19433 6540 1 14 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.696 -2.424 19433 6541 1 14 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.331 -2.245 19433 6542 1 14 . 1 1 64 64 GLN H H 64 8.037 8.037 8.465 -0.428 19433 6543 1 14 . 1 1 65 65 SER N N 65 110.096 110.096 113.369 -3.273 19433 6544 1 14 . 1 1 65 65 SER HA H 65 4.351 4.351 4.316 0.035 19433 6545 1 14 . 1 1 65 65 SER CA C 65 55.577 55.577 58.594 -3.017 19433 6546 1 14 . 1 1 65 65 SER CB C 65 60.350 60.350 63.667 -3.317 19433 6547 1 14 . 1 1 65 65 SER H H 65 7.670 7.670 7.584 0.086 19433 6548 1 14 . 1 1 66 66 GLY N N 66 109.466 109.466 109.142 0.324 19433 6549 1 14 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.172 -2.522 19433 6550 1 14 . 1 1 66 66 GLY H H 66 7.810 7.810 7.776 0.034 19433 6551 1 14 . 1 1 67 67 GLU N N 67 121.149 121.149 121.250 -0.101 19433 6552 1 14 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.394 -0.091 19433 6553 1 14 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.185 -2.266 19433 6554 1 14 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.913 -3.883 19433 6555 1 14 . 1 1 67 67 GLU H H 67 7.518 7.518 7.728 -0.210 19433 6556 1 14 . 1 1 68 68 LYS N N 68 124.553 124.553 123.098 1.455 19433 6557 1 14 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.894 -0.008 19433 6558 1 14 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.560 -2.558 19433 6559 1 14 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.642 -3.143 19433 6560 1 14 . 1 1 68 68 LYS H H 68 8.631 8.631 8.437 0.194 19433 6561 1 14 . 1 1 69 69 PHE N N 69 119.363 119.363 115.647 3.716 19433 6562 1 14 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.080 0.082 19433 6563 1 14 . 1 1 69 69 PHE CA C 69 52.610 52.610 56.277 -3.667 19433 6564 1 14 . 1 1 69 69 PHE CB C 69 39.531 39.531 40.878 -1.347 19433 6565 1 14 . 1 1 69 69 PHE H H 69 8.180 8.180 8.571 -0.391 19433 6566 1 14 . 1 1 70 70 THR N N 70 113.468 113.468 113.330 0.138 19433 6567 1 14 . 1 1 70 70 THR HA H 70 5.331 5.331 5.034 0.297 19433 6568 1 14 . 1 1 70 70 THR CA C 70 57.694 57.694 59.791 -2.097 19433 6569 1 14 . 1 1 70 70 THR CB C 70 69.969 69.969 71.388 -1.419 19433 6570 1 14 . 1 1 70 70 THR H H 70 8.623 8.623 8.498 0.125 19433 6571 1 14 . 1 1 71 71 GLY N N 71 110.469 110.469 108.572 1.897 19433 6572 1 14 . 1 1 71 71 GLY CA C 71 42.758 42.758 45.134 -2.376 19433 6573 1 14 . 1 1 71 71 GLY H H 71 8.955 8.955 8.019 0.936 19433 6574 1 14 . 1 1 72 72 HIS N N 72 121.565 121.565 123.222 -1.657 19433 6575 1 14 . 1 1 72 72 HIS HA H 72 5.286 5.286 5.069 0.217 19433 6576 1 14 . 1 1 72 72 HIS CA C 72 51.920 51.920 55.697 -3.777 19433 6577 1 14 . 1 1 72 72 HIS CB C 72 28.409 28.409 30.240 -1.831 19433 6578 1 14 . 1 1 72 72 HIS H H 72 8.162 8.162 7.982 0.180 19433 6579 1 14 . 1 1 73 73 PHE N N 73 122.114 122.114 123.600 -1.486 19433 6580 1 14 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.822 0.172 19433 6581 1 14 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.819 -2.817 19433 6582 1 14 . 1 1 73 73 PHE CB C 73 40.278 40.278 43.131 -2.853 19433 6583 1 14 . 1 1 73 73 PHE H H 73 9.117 9.117 9.230 -0.113 19433 6584 1 14 . 1 1 74 74 LYS N N 74 122.834 122.834 120.245 2.589 19433 6585 1 14 . 1 1 74 74 LYS HA H 74 4.876 4.876 5.119 -0.243 19433 6586 1 14 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.509 -2.708 19433 6587 1 14 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.646 -3.905 19433 6588 1 14 . 1 1 74 74 LYS H H 74 8.889 8.889 8.603 0.286 19433 6589 1 14 . 1 1 75 75 GLY N N 75 109.821 109.821 108.688 1.133 19433 6590 1 14 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.895 -1.661 19433 6591 1 14 . 1 1 75 75 GLY H H 75 8.418 8.418 8.382 0.036 19433 6592 1 14 . 1 1 76 76 LEU N N 76 119.557 119.557 119.448 0.109 19433 6593 1 14 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.386 -0.046 19433 6594 1 14 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.620 -2.247 19433 6595 1 14 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.808 -3.149 19433 6596 1 14 . 1 1 76 76 LEU H H 76 7.893 7.893 7.519 0.374 19433 6597 1 14 . 1 1 77 77 VAL N N 77 118.411 118.411 118.029 0.382 19433 6598 1 14 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.369 0.024 19433 6599 1 14 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.997 -2.552 19433 6600 1 14 . 1 1 77 77 VAL CB C 77 32.212 32.212 33.713 -1.501 19433 6601 1 14 . 1 1 77 77 VAL H H 77 8.583 8.583 8.225 0.358 19433 6602 1 14 . 1 1 78 78 GLY N N 78 111.284 111.284 109.669 1.615 19433 6603 1 14 . 1 1 78 78 GLY CA C 78 41.998 41.998 45.040 -3.042 19433 6604 1 14 . 1 1 78 78 GLY H H 78 8.218 8.218 8.341 -0.123 19433 6605 1 14 . 1 1 79 79 LYS N N 79 120.895 120.895 122.614 -1.719 19433 6606 1 14 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.462 -0.185 19433 6607 1 14 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.780 -1.329 19433 6608 1 14 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.858 -2.581 19433 6609 1 14 . 1 1 79 79 LYS H H 79 8.347 8.347 8.430 -0.083 19433 6610 1 14 . 1 1 80 80 ASP N N 80 119.681 119.681 117.173 2.508 19433 6611 1 14 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.500 -0.693 19433 6612 1 14 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.568 -1.334 19433 6613 1 14 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.712 -4.688 19433 6614 1 14 . 1 1 80 80 ASP H H 80 7.993 7.993 7.712 0.281 19433 6615 1 14 . 1 1 81 81 THR N N 81 118.659 118.659 112.884 5.775 19433 6616 1 14 . 1 1 81 81 THR HA H 81 4.076 4.076 4.477 -0.401 19433 6617 1 14 . 1 1 81 81 THR CA C 81 60.371 60.371 61.210 -0.839 19433 6618 1 14 . 1 1 81 81 THR CB C 81 67.694 67.694 71.691 -3.997 19433 6619 1 14 . 1 1 81 81 THR H H 81 8.002 8.002 8.367 -0.365 19433 6620 1 14 . 1 1 82 82 ARG N N 82 127.944 127.944 122.839 5.105 19433 6621 1 14 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.176 -0.579 19433 6622 1 14 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.360 -2.189 19433 6623 1 14 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.748 -4.140 19433 6624 1 14 . 1 1 82 82 ARG H H 82 8.183 8.183 8.320 -0.137 19433 6625 1 14 . 1 1 83 83 VAL N N 83 121.617 121.617 118.312 3.305 19433 6626 1 14 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.188 -0.124 19433 6627 1 14 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.534 -3.859 19433 6628 1 14 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.790 -4.475 19433 6629 1 14 . 1 1 83 83 VAL H H 83 8.639 8.639 8.403 0.236 19433 6630 1 14 . 1 1 84 84 PHE N N 84 124.702 124.702 126.548 -1.846 19433 6631 1 14 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.816 0.151 19433 6632 1 14 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.698 -0.899 19433 6633 1 14 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.333 0.355 19433 6634 1 14 . 1 1 84 84 PHE H H 84 9.198 9.198 9.031 0.167 19433 6635 1 14 . 1 1 85 85 ILE N N 85 123.027 123.027 125.276 -2.249 19433 6636 1 14 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.066 0.381 19433 6637 1 14 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.471 -4.558 19433 6638 1 14 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.316 -1.446 19433 6639 1 14 . 1 1 85 85 ILE H H 85 8.650 8.650 8.198 0.452 19433 6640 1 14 . 1 1 86 86 GLU N N 86 124.137 124.137 124.401 -0.264 19433 6641 1 14 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.579 -0.004 19433 6642 1 14 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.436 -2.905 19433 6643 1 14 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.004 -1.477 19433 6644 1 14 . 1 1 86 86 GLU H H 86 8.754 8.754 7.906 0.848 19433 6645 1 14 . 1 1 87 87 LEU N N 87 120.087 120.087 119.726 0.361 19433 6646 1 14 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.303 -0.442 19433 6647 1 14 . 1 1 87 87 LEU CA C 87 51.130 51.130 53.672 -2.542 19433 6648 1 14 . 1 1 87 87 LEU CB C 87 41.260 41.260 44.365 -3.105 19433 6649 1 14 . 1 1 87 87 LEU H H 87 8.394 8.394 8.299 0.095 19433 6650 1 14 . 1 1 88 88 ASP N N 88 123.072 123.072 119.133 3.939 19433 6651 1 14 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.682 -0.023 19433 6652 1 14 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.721 -4.502 19433 6653 1 14 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.194 -4.087 19433 6654 1 14 . 1 1 88 88 ASP H H 88 8.770 8.770 8.156 0.614 19433 6655 1 14 . 1 1 89 89 GLU N N 89 117.437 117.437 117.681 -0.244 19433 6656 1 14 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.980 0.096 19433 6657 1 14 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.551 -3.563 19433 6658 1 14 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.782 -2.620 19433 6659 1 14 . 1 1 89 89 GLU H H 89 9.033 9.033 8.823 0.210 19433 6660 1 14 . 1 1 90 90 ASN N N 90 118.824 118.824 118.194 0.630 19433 6661 1 14 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.814 -0.028 19433 6662 1 14 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.932 -2.762 19433 6663 1 14 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.862 -3.166 19433 6664 1 14 . 1 1 90 90 ASN H H 90 8.351 8.351 8.239 0.112 19433 6665 1 14 . 1 1 91 91 ALA N N 91 118.167 118.167 121.735 -3.568 19433 6666 1 14 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.862 -0.110 19433 6667 1 14 . 1 1 91 91 ALA CA C 91 51.255 51.255 52.980 -1.725 19433 6668 1 14 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.353 -3.435 19433 6669 1 14 . 1 1 91 91 ALA H H 91 8.284 8.284 8.131 0.153 19433 6670 1 14 . 1 1 92 92 ASP N N 92 118.574 118.574 117.836 0.738 19433 6671 1 14 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.747 0.185 19433 6672 1 14 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.796 -2.980 19433 6673 1 14 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.482 -4.312 19433 6674 1 14 . 1 1 92 92 ASP H H 92 8.215 8.215 8.013 0.202 19433 6675 1 14 . 1 1 93 93 VAL N N 93 121.604 121.604 119.663 1.941 19433 6676 1 14 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.189 -0.120 19433 6677 1 14 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.046 -1.592 19433 6678 1 14 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.718 -1.730 19433 6679 1 14 . 1 1 93 93 VAL H H 93 8.440 8.440 8.527 -0.087 19433 6680 1 14 . 1 1 94 94 GLN N N 94 125.344 125.344 126.065 -0.721 19433 6681 1 14 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.933 -0.172 19433 6682 1 14 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.254 -2.940 19433 6683 1 14 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.382 -1.983 19433 6684 1 14 . 1 1 94 94 GLN H H 94 8.958 8.958 7.959 0.999 19433 6685 1 14 . 1 1 95 95 VAL N N 95 119.370 119.370 118.916 0.454 19433 6686 1 14 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.545 0.516 19433 6687 1 14 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.647 -4.367 19433 6688 1 14 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.369 -3.443 19433 6689 1 14 . 1 1 95 95 VAL H H 95 8.420 8.420 8.450 -0.030 19433 6690 1 14 . 1 1 96 96 PHE N N 96 126.219 126.219 127.936 -1.717 19433 6691 1 14 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.109 -0.077 19433 6692 1 14 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.102 -2.212 19433 6693 1 14 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.972 -3.469 19433 6694 1 14 . 1 1 96 96 PHE H H 96 9.314 9.314 9.136 0.178 19433 6695 1 14 . 1 1 97 97 ILE N N 97 123.424 123.424 116.227 7.197 19433 6696 1 14 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.097 0.717 19433 6697 1 14 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.969 -1.903 19433 6698 1 14 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.651 -3.374 19433 6699 1 14 . 1 1 97 97 ILE H H 97 7.613 7.613 6.898 0.715 19433 6700 1 14 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.424 -0.154 19433 6701 1 14 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.959 -2.961 19433 6702 1 14 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.396 -1.739 19433 6703 1 14 . 1 1 99 99 GLN N N 99 121.028 121.028 123.496 -2.468 19433 6704 1 14 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.508 -0.053 19433 6705 1 14 . 1 1 99 99 GLN CA C 99 52.620 52.620 55.114 -2.494 19433 6706 1 14 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.657 -3.214 19433 6707 1 14 . 1 1 99 99 GLN H H 99 8.507 8.507 8.355 0.152 19433 6708 1 14 . 1 1 100 100 GLY N N 100 110.029 110.029 108.685 1.344 19433 6709 1 14 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.830 -3.202 19433 6710 1 14 . 1 1 100 100 GLY H H 100 8.356 8.356 8.397 -0.041 19433 6711 1 14 . 1 1 101 101 GLU N N 101 120.385 120.385 122.917 -2.532 19433 6712 1 14 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.373 -0.082 19433 6713 1 14 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.873 -2.122 19433 6714 1 14 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.680 -0.850 19433 6715 1 14 . 1 1 101 101 GLU H H 101 8.378 8.378 8.759 -0.381 19433 6716 1 14 . 1 1 102 102 ILE N N 102 120.838 120.838 120.730 0.108 19433 6717 1 14 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.326 -0.160 19433 6718 1 14 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.450 -2.082 19433 6719 1 14 . 1 1 102 102 ILE CB C 102 36.713 36.713 39.004 -2.291 19433 6720 1 14 . 1 1 102 102 ILE H H 102 8.168 8.168 7.590 0.578 19433 6721 1 15 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.904 -0.673 19433 6722 1 15 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.239 -1.706 19433 6723 1 15 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.235 -3.591 19433 6724 1 15 . 1 1 3 3 GLN N N 3 118.180 118.180 117.610 0.570 19433 6725 1 15 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.442 -0.174 19433 6726 1 15 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.402 -2.963 19433 6727 1 15 . 1 1 3 3 GLN H H 3 8.579 8.579 8.832 -0.253 19433 6728 1 15 . 1 1 4 4 ASP N N 4 120.328 120.328 118.073 2.255 19433 6729 1 15 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.726 -0.229 19433 6730 1 15 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.683 -1.918 19433 6731 1 15 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.589 -3.067 19433 6732 1 15 . 1 1 4 4 ASP H H 4 8.061 8.061 8.167 -0.106 19433 6733 1 15 . 1 1 5 5 GLY N N 5 109.114 109.114 109.855 -0.741 19433 6734 1 15 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.142 -2.112 19433 6735 1 15 . 1 1 5 5 GLY H H 5 8.322 8.322 8.353 -0.031 19433 6736 1 15 . 1 1 6 6 LYS N N 6 120.397 120.397 121.272 -0.875 19433 6737 1 15 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.468 -0.171 19433 6738 1 15 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.096 -2.777 19433 6739 1 15 . 1 1 6 6 LYS CB C 6 30.441 30.441 33.053 -2.612 19433 6740 1 15 . 1 1 6 6 LYS H H 6 8.030 8.030 7.631 0.399 19433 6741 1 15 . 1 1 7 7 GLU N N 7 122.113 122.113 121.072 1.041 19433 6742 1 15 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.459 -0.164 19433 6743 1 15 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.832 -2.545 19433 6744 1 15 . 1 1 7 7 GLU CB C 7 27.757 27.757 29.997 -2.240 19433 6745 1 15 . 1 1 7 7 GLU H H 7 8.464 8.464 8.520 -0.056 19433 6746 1 15 . 1 1 8 8 THR N N 8 114.459 114.459 111.886 2.573 19433 6747 1 15 . 1 1 8 8 THR HA H 8 4.543 4.543 4.743 -0.200 19433 6748 1 15 . 1 1 8 8 THR CA C 8 57.966 57.966 61.102 -3.136 19433 6749 1 15 . 1 1 8 8 THR CB C 8 68.123 68.123 69.955 -1.832 19433 6750 1 15 . 1 1 8 8 THR H H 8 7.984 7.984 7.670 0.314 19433 6751 1 15 . 1 1 9 9 THR N N 9 116.229 116.229 114.177 2.052 19433 6752 1 15 . 1 1 9 9 THR HA H 9 4.584 4.584 4.774 -0.190 19433 6753 1 15 . 1 1 9 9 THR CA C 9 58.575 58.575 61.309 -2.734 19433 6754 1 15 . 1 1 9 9 THR CB C 9 67.866 67.866 69.969 -2.103 19433 6755 1 15 . 1 1 9 9 THR H H 9 8.140 8.140 8.266 -0.126 19433 6756 1 15 . 1 1 10 10 THR N N 10 118.509 118.509 113.724 4.785 19433 6757 1 15 . 1 1 10 10 THR HA H 10 4.563 4.563 4.619 -0.056 19433 6758 1 15 . 1 1 10 10 THR CA C 10 59.364 59.364 61.368 -2.004 19433 6759 1 15 . 1 1 10 10 THR CB C 10 68.411 68.411 72.249 -3.838 19433 6760 1 15 . 1 1 10 10 THR H H 10 8.544 8.544 7.735 0.809 19433 6761 1 15 . 1 1 11 11 ILE N N 11 126.772 126.772 119.256 7.516 19433 6762 1 15 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.507 -0.482 19433 6763 1 15 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.368 -2.046 19433 6764 1 15 . 1 1 11 11 ILE CB C 11 36.340 36.340 42.108 -5.768 19433 6765 1 15 . 1 1 11 11 ILE H H 11 8.595 8.595 8.367 0.228 19433 6766 1 15 . 1 1 12 12 ARG N N 12 125.922 125.922 123.697 2.225 19433 6767 1 15 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.689 0.304 19433 6768 1 15 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.776 -3.886 19433 6769 1 15 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.278 -3.314 19433 6770 1 15 . 1 1 12 12 ARG H H 12 8.031 8.031 8.296 -0.265 19433 6771 1 15 . 1 1 13 13 LEU N N 13 126.771 126.771 126.363 0.408 19433 6772 1 15 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.609 0.334 19433 6773 1 15 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.448 -3.822 19433 6774 1 15 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.413 -1.380 19433 6775 1 15 . 1 1 13 13 LEU H H 13 8.828 8.828 9.023 -0.195 19433 6776 1 15 . 1 1 14 14 ILE N N 14 123.438 123.438 122.586 0.852 19433 6777 1 15 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.578 -0.401 19433 6778 1 15 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.034 -1.520 19433 6779 1 15 . 1 1 14 14 ILE CB C 14 38.667 38.667 39.907 -1.240 19433 6780 1 15 . 1 1 14 14 ILE H H 14 8.847 8.847 8.825 0.022 19433 6781 1 15 . 1 1 15 15 ASN N N 15 123.130 123.130 125.329 -2.199 19433 6782 1 15 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.709 0.171 19433 6783 1 15 . 1 1 15 15 ASN CA C 15 48.668 48.668 52.200 -3.532 19433 6784 1 15 . 1 1 15 15 ASN CB C 15 34.821 34.821 37.813 -2.992 19433 6785 1 15 . 1 1 15 15 ASN H H 15 8.446 8.446 8.538 -0.092 19433 6786 1 15 . 1 1 16 16 GLN N N 16 125.061 125.061 120.580 4.481 19433 6787 1 15 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.573 0.958 19433 6788 1 15 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.940 -2.780 19433 6789 1 15 . 1 1 16 16 GLN CB C 16 26.904 26.904 27.021 -0.117 19433 6790 1 15 . 1 1 16 16 GLN H H 16 9.063 9.063 7.779 1.284 19433 6791 1 15 . 1 1 17 17 THR N N 17 110.936 110.936 110.124 0.812 19433 6792 1 15 . 1 1 17 17 THR HA H 17 4.415 4.415 4.411 0.004 19433 6793 1 15 . 1 1 17 17 THR CA C 17 58.240 58.240 58.909 -0.669 19433 6794 1 15 . 1 1 17 17 THR CB C 17 67.913 67.913 70.202 -2.289 19433 6795 1 15 . 1 1 17 17 THR H H 17 7.765 7.765 7.842 -0.077 19433 6796 1 15 . 1 1 18 18 TYR N N 18 112.380 112.380 118.494 -6.114 19433 6797 1 15 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.550 -0.195 19433 6798 1 15 . 1 1 18 18 TYR CA C 18 54.029 54.029 56.983 -2.954 19433 6799 1 15 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.994 -3.427 19433 6800 1 15 . 1 1 18 18 TYR H H 18 6.950 6.950 8.360 -1.410 19433 6801 1 15 . 1 1 19 19 PHE N N 19 119.710 119.710 112.371 7.339 19433 6802 1 15 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.679 0.317 19433 6803 1 15 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.098 -2.088 19433 6804 1 15 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.285 -1.813 19433 6805 1 15 . 1 1 19 19 PHE H H 19 8.014 8.014 6.535 1.479 19433 6806 1 15 . 1 1 20 20 ASN N N 20 117.921 117.921 117.333 0.588 19433 6807 1 15 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.475 -0.786 19433 6808 1 15 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.038 -0.001 19433 6809 1 15 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.179 -4.873 19433 6810 1 15 . 1 1 20 20 ASN H H 20 8.724 8.724 8.437 0.287 19433 6811 1 15 . 1 1 21 21 VAL N N 21 115.311 115.311 115.029 0.282 19433 6812 1 15 . 1 1 21 21 VAL HA H 21 4.884 4.884 5.013 -0.129 19433 6813 1 15 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.115 -2.614 19433 6814 1 15 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.900 -4.055 19433 6815 1 15 . 1 1 21 21 VAL H H 21 8.186 8.186 8.822 -0.636 19433 6816 1 15 . 1 1 22 22 LYS N N 22 119.772 119.772 121.712 -1.940 19433 6817 1 15 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.697 0.305 19433 6818 1 15 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.841 -4.308 19433 6819 1 15 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.268 0.997 19433 6820 1 15 . 1 1 22 22 LYS H H 22 9.331 9.331 8.246 1.085 19433 6821 1 15 . 1 1 23 23 ASN N N 23 116.781 116.781 114.721 2.060 19433 6822 1 15 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.763 -0.560 19433 6823 1 15 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.685 -1.752 19433 6824 1 15 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.775 -4.255 19433 6825 1 15 . 1 1 23 23 ASN H H 23 8.573 8.573 8.134 0.439 19433 6826 1 15 . 1 1 24 24 ILE N N 24 118.303 118.303 121.905 -3.602 19433 6827 1 15 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.028 0.716 19433 6828 1 15 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.337 -3.792 19433 6829 1 15 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.423 -1.187 19433 6830 1 15 . 1 1 24 24 ILE H H 24 8.329 8.329 8.343 -0.014 19433 6831 1 15 . 1 1 25 25 LYS N N 25 129.189 129.189 128.497 0.692 19433 6832 1 15 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.847 0.039 19433 6833 1 15 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.218 -2.457 19433 6834 1 15 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.567 -1.920 19433 6835 1 15 . 1 1 25 25 LYS H H 25 9.102 9.102 8.423 0.679 19433 6836 1 15 . 1 1 26 26 VAL N N 26 129.283 129.283 124.920 4.363 19433 6837 1 15 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.797 0.169 19433 6838 1 15 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.417 -1.318 19433 6839 1 15 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.440 -5.070 19433 6840 1 15 . 1 1 26 26 VAL H H 26 9.057 9.057 9.076 -0.019 19433 6841 1 15 . 1 1 27 27 THR N N 27 120.185 120.185 121.117 -0.932 19433 6842 1 15 . 1 1 27 27 THR HA H 27 5.542 5.542 5.127 0.415 19433 6843 1 15 . 1 1 27 27 THR CA C 27 56.977 56.977 61.755 -4.778 19433 6844 1 15 . 1 1 27 27 THR CB C 27 68.220 68.220 71.411 -3.191 19433 6845 1 15 . 1 1 27 27 THR H H 27 9.177 9.177 8.341 0.836 19433 6846 1 15 . 1 1 28 28 TRP N N 28 123.046 123.046 121.061 1.985 19433 6847 1 15 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.247 0.143 19433 6848 1 15 . 1 1 28 28 TRP CA C 28 53.617 53.617 56.024 -2.407 19433 6849 1 15 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.891 -0.929 19433 6850 1 15 . 1 1 28 28 TRP H H 28 8.787 8.787 7.916 0.871 19433 6851 1 15 . 1 1 29 29 ASN N N 29 116.792 116.792 117.140 -0.348 19433 6852 1 15 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.636 -1.220 19433 6853 1 15 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.693 -1.427 19433 6854 1 15 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.587 -7.408 19433 6855 1 15 . 1 1 29 29 ASN H H 29 8.193 8.193 7.608 0.585 19433 6856 1 15 . 1 1 30 30 ASP N N 30 118.710 118.710 119.932 -1.222 19433 6857 1 15 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.682 -0.165 19433 6858 1 15 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.481 -3.019 19433 6859 1 15 . 1 1 30 30 ASP CB C 30 36.498 36.498 40.285 -3.787 19433 6860 1 15 . 1 1 30 30 ASP H H 30 8.937 8.937 8.415 0.522 19433 6861 1 15 . 1 1 31 31 GLY N N 31 106.542 106.542 111.356 -4.814 19433 6862 1 15 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.067 -1.601 19433 6863 1 15 . 1 1 31 31 GLY H H 31 7.594 7.594 8.153 -0.559 19433 6864 1 15 . 1 1 32 32 LYS N N 32 121.904 121.904 120.144 1.760 19433 6865 1 15 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.408 -0.519 19433 6866 1 15 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.603 -1.778 19433 6867 1 15 . 1 1 32 32 LYS CB C 32 28.130 28.130 33.124 -4.994 19433 6868 1 15 . 1 1 32 32 LYS H H 32 7.510 7.510 7.634 -0.124 19433 6869 1 15 . 1 1 33 33 GLU N N 33 119.124 119.124 123.120 -3.996 19433 6870 1 15 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.848 0.432 19433 6871 1 15 . 1 1 33 33 GLU CA C 33 52.331 52.331 53.991 -1.660 19433 6872 1 15 . 1 1 33 33 GLU CB C 33 31.709 31.709 32.755 -1.046 19433 6873 1 15 . 1 1 33 33 GLU H H 33 7.843 7.843 8.155 -0.312 19433 6874 1 15 . 1 1 34 34 GLN N N 34 123.230 123.230 118.413 4.817 19433 6875 1 15 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.725 -0.302 19433 6876 1 15 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.879 -2.582 19433 6877 1 15 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.285 -2.043 19433 6878 1 15 . 1 1 34 34 GLN H H 34 9.114 9.114 9.077 0.037 19433 6879 1 15 . 1 1 35 35 THR N N 35 119.194 119.194 115.249 3.945 19433 6880 1 15 . 1 1 35 35 THR HA H 35 5.241 5.241 5.314 -0.073 19433 6881 1 15 . 1 1 35 35 THR CA C 35 58.075 58.075 59.435 -1.360 19433 6882 1 15 . 1 1 35 35 THR CB C 35 67.936 67.936 70.331 -2.395 19433 6883 1 15 . 1 1 35 35 THR H H 35 8.397 8.397 8.175 0.222 19433 6884 1 15 . 1 1 36 36 VAL N N 36 126.317 126.317 126.287 0.030 19433 6885 1 15 . 1 1 36 36 VAL HA H 36 4.166 4.166 3.989 0.177 19433 6886 1 15 . 1 1 36 36 VAL CA C 36 58.296 58.296 62.141 -3.845 19433 6887 1 15 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.808 -1.023 19433 6888 1 15 . 1 1 36 36 VAL H H 36 8.976 8.976 7.955 1.021 19433 6889 1 15 . 1 1 37 37 ASN N N 37 126.536 126.536 119.429 7.107 19433 6890 1 15 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.576 -0.215 19433 6891 1 15 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.457 -0.363 19433 6892 1 15 . 1 1 37 37 ASN CB C 37 35.754 35.754 39.070 -3.316 19433 6893 1 15 . 1 1 37 37 ASN H H 37 8.974 8.974 8.616 0.358 19433 6894 1 15 . 1 1 38 38 THR N N 38 112.460 112.460 113.009 -0.549 19433 6895 1 15 . 1 1 38 38 THR HA H 38 4.850 4.850 4.825 0.025 19433 6896 1 15 . 1 1 38 38 THR CA C 38 58.536 58.536 61.711 -3.175 19433 6897 1 15 . 1 1 38 38 THR CB C 38 69.085 69.085 71.498 -2.413 19433 6898 1 15 . 1 1 38 38 THR H H 38 7.762 7.762 7.775 -0.013 19433 6899 1 15 . 1 1 39 39 LEU N N 39 126.316 126.316 123.892 2.424 19433 6900 1 15 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.762 -0.219 19433 6901 1 15 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.016 -1.231 19433 6902 1 15 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.373 -3.032 19433 6903 1 15 . 1 1 39 39 LEU H H 39 8.572 8.572 9.181 -0.609 19433 6904 1 15 . 1 1 40 40 GLY N N 40 116.669 116.669 112.363 4.306 19433 6905 1 15 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.487 -2.222 19433 6906 1 15 . 1 1 40 40 GLY H H 40 9.303 9.303 8.449 0.854 19433 6907 1 15 . 1 1 41 41 SER N N 41 113.384 113.384 116.867 -3.483 19433 6908 1 15 . 1 1 41 41 SER HA H 41 3.612 3.612 4.246 -0.634 19433 6909 1 15 . 1 1 41 41 SER CA C 41 56.211 56.211 59.017 -2.806 19433 6910 1 15 . 1 1 41 41 SER CB C 41 60.482 60.482 63.839 -3.357 19433 6911 1 15 . 1 1 41 41 SER H H 41 7.883 7.883 8.222 -0.339 19433 6912 1 15 . 1 1 42 42 HIS N N 42 120.045 120.045 118.380 1.665 19433 6913 1 15 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.159 0.273 19433 6914 1 15 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.319 -3.315 19433 6915 1 15 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.766 -5.321 19433 6916 1 15 . 1 1 42 42 HIS H H 42 7.882 7.882 8.927 -1.045 19433 6917 1 15 . 1 1 43 43 ASP N N 43 119.308 119.308 120.419 -1.111 19433 6918 1 15 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.782 0.255 19433 6919 1 15 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.661 -5.583 19433 6920 1 15 . 1 1 43 43 ASP CB C 43 40.709 40.709 41.820 -1.111 19433 6921 1 15 . 1 1 43 43 ASP H H 43 7.906 7.906 7.525 0.381 19433 6922 1 15 . 1 1 44 44 SER N N 44 111.544 111.544 112.609 -1.065 19433 6923 1 15 . 1 1 44 44 SER HA H 44 5.617 5.617 5.365 0.252 19433 6924 1 15 . 1 1 44 44 SER CA C 44 53.597 53.597 57.008 -3.411 19433 6925 1 15 . 1 1 44 44 SER CB C 44 65.207 65.207 66.443 -1.236 19433 6926 1 15 . 1 1 44 44 SER H H 44 8.396 8.396 8.451 -0.055 19433 6927 1 15 . 1 1 45 45 ILE N N 45 119.898 119.898 121.365 -1.467 19433 6928 1 15 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.697 -0.187 19433 6929 1 15 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.083 -3.043 19433 6930 1 15 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.148 -2.902 19433 6931 1 15 . 1 1 45 45 ILE H H 45 8.726 8.726 8.989 -0.263 19433 6932 1 15 . 1 1 46 46 ASP N N 46 123.866 123.866 125.811 -1.945 19433 6933 1 15 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.300 0.221 19433 6934 1 15 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.276 -2.903 19433 6935 1 15 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.352 -1.540 19433 6936 1 15 . 1 1 46 46 ASP H H 46 7.891 7.891 8.290 -0.399 19433 6937 1 15 . 1 1 47 47 PHE N N 47 116.649 116.649 116.196 0.453 19433 6938 1 15 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.833 -0.060 19433 6939 1 15 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.140 -3.052 19433 6940 1 15 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.274 -3.534 19433 6941 1 15 . 1 1 47 47 PHE H H 47 8.654 8.654 7.869 0.785 19433 6942 1 15 . 1 1 48 48 SER N N 48 114.033 114.033 116.353 -2.320 19433 6943 1 15 . 1 1 48 48 SER HA H 48 4.729 4.729 4.335 0.394 19433 6944 1 15 . 1 1 48 48 SER CA C 48 49.403 49.403 59.295 -9.892 19433 6945 1 15 . 1 1 48 48 SER CB C 48 61.957 61.957 63.827 -1.870 19433 6946 1 15 . 1 1 48 48 SER H H 48 8.667 8.667 8.564 0.103 19433 6947 1 15 . 1 1 49 49 SER N N 49 119.169 119.169 115.705 3.464 19433 6948 1 15 . 1 1 49 49 SER HA H 49 4.357 4.357 4.697 -0.340 19433 6949 1 15 . 1 1 49 49 SER CA C 49 55.003 55.003 57.171 -2.168 19433 6950 1 15 . 1 1 49 49 SER CB C 49 61.708 61.708 65.669 -3.962 19433 6951 1 15 . 1 1 49 49 SER H H 49 8.644 8.644 8.167 0.477 19433 6952 1 15 . 1 1 50 50 ASP N N 50 120.389 120.389 122.216 -1.827 19433 6953 1 15 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.804 -0.359 19433 6954 1 15 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.368 -1.936 19433 6955 1 15 . 1 1 50 50 ASP CB C 50 38.122 38.122 39.336 -1.214 19433 6956 1 15 . 1 1 50 50 ASP H H 50 8.743 8.743 9.257 -0.514 19433 6957 1 15 . 1 1 51 51 ALA N N 51 120.149 120.149 121.074 -0.925 19433 6958 1 15 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.712 -0.086 19433 6959 1 15 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.221 -2.519 19433 6960 1 15 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.791 -2.595 19433 6961 1 15 . 1 1 51 51 ALA H H 51 8.178 8.178 7.400 0.778 19433 6962 1 15 . 1 1 52 52 GLY N N 52 106.575 106.575 104.845 1.730 19433 6963 1 15 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.398 -2.531 19433 6964 1 15 . 1 1 52 52 GLY H H 52 8.465 8.465 8.791 -0.326 19433 6965 1 15 . 1 1 53 53 SER N N 53 111.247 111.247 113.115 -1.868 19433 6966 1 15 . 1 1 53 53 SER HA H 53 4.371 4.371 4.539 -0.168 19433 6967 1 15 . 1 1 53 53 SER CA C 53 55.270 55.270 56.998 -1.728 19433 6968 1 15 . 1 1 53 53 SER CB C 53 61.515 61.515 65.454 -3.939 19433 6969 1 15 . 1 1 53 53 SER H H 53 7.606 7.606 7.469 0.137 19433 6970 1 15 . 1 1 54 54 VAL N N 54 124.481 124.481 120.486 3.995 19433 6971 1 15 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.257 0.049 19433 6972 1 15 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.703 -1.928 19433 6973 1 15 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.813 -6.120 19433 6974 1 15 . 1 1 54 54 VAL H H 54 8.587 8.587 8.671 -0.084 19433 6975 1 15 . 1 1 55 55 TYR N N 55 122.616 122.616 118.585 4.031 19433 6976 1 15 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.069 0.112 19433 6977 1 15 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.373 -1.691 19433 6978 1 15 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.929 -3.052 19433 6979 1 15 . 1 1 55 55 TYR H H 55 8.586 8.586 8.047 0.539 19433 6980 1 15 . 1 1 56 56 LYS N N 56 121.197 121.197 118.518 2.679 19433 6981 1 15 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.041 -0.285 19433 6982 1 15 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.142 -1.736 19433 6983 1 15 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.658 -4.185 19433 6984 1 15 . 1 1 56 56 LYS H H 56 7.276 7.276 7.453 -0.177 19433 6985 1 15 . 1 1 57 57 MET N N 57 122.040 122.040 120.354 1.686 19433 6986 1 15 . 1 1 57 57 MET HA H 57 5.440 5.440 5.195 0.245 19433 6987 1 15 . 1 1 57 57 MET CA C 57 52.893 52.893 55.430 -2.537 19433 6988 1 15 . 1 1 57 57 MET CB C 57 35.646 35.646 37.679 -2.033 19433 6989 1 15 . 1 1 57 57 MET H H 57 8.637 8.637 9.043 -0.406 19433 6990 1 15 . 1 1 58 58 ASP N N 58 125.086 125.086 126.522 -1.436 19433 6991 1 15 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.330 0.410 19433 6992 1 15 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.133 -2.349 19433 6993 1 15 . 1 1 58 58 ASP CB C 58 42.339 42.339 42.218 0.121 19433 6994 1 15 . 1 1 58 58 ASP H H 58 9.367 9.367 8.585 0.782 19433 6995 1 15 . 1 1 59 59 VAL N N 59 120.817 120.817 124.330 -3.513 19433 6996 1 15 . 1 1 59 59 VAL HA H 59 5.058 5.058 5.116 -0.058 19433 6997 1 15 . 1 1 59 59 VAL CA C 59 58.103 58.103 59.642 -1.539 19433 6998 1 15 . 1 1 59 59 VAL CB C 59 33.782 33.782 35.926 -2.144 19433 6999 1 15 . 1 1 59 59 VAL H H 59 8.890 8.890 8.502 0.388 19433 7000 1 15 . 1 1 60 60 THR N N 60 120.028 120.028 121.648 -1.620 19433 7001 1 15 . 1 1 60 60 THR HA H 60 5.125 5.125 4.850 0.275 19433 7002 1 15 . 1 1 60 60 THR CA C 60 56.923 56.923 61.504 -4.581 19433 7003 1 15 . 1 1 60 60 THR CB C 60 68.946 68.946 69.593 -0.647 19433 7004 1 15 . 1 1 60 60 THR H H 60 8.578 8.578 9.032 -0.454 19433 7005 1 15 . 1 1 61 61 GLY N N 61 108.812 108.812 114.491 -5.679 19433 7006 1 15 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.021 0.173 19433 7007 1 15 . 1 1 61 61 GLY H H 61 7.330 7.330 8.278 -0.948 19433 7008 1 15 . 1 1 62 62 THR N N 62 111.342 111.342 114.656 -3.314 19433 7009 1 15 . 1 1 62 62 THR HA H 62 5.333 5.333 5.224 0.109 19433 7010 1 15 . 1 1 62 62 THR CA C 62 57.514 57.514 60.754 -3.240 19433 7011 1 15 . 1 1 62 62 THR CB C 62 69.348 69.348 72.249 -2.901 19433 7012 1 15 . 1 1 62 62 THR H H 62 8.013 8.013 7.727 0.286 19433 7013 1 15 . 1 1 63 63 THR N N 63 115.003 115.003 116.680 -1.677 19433 7014 1 15 . 1 1 63 63 THR HA H 63 4.751 4.751 4.592 0.159 19433 7015 1 15 . 1 1 63 63 THR CA C 63 58.700 58.700 60.283 -1.583 19433 7016 1 15 . 1 1 63 63 THR CB C 63 68.654 68.654 70.019 -1.365 19433 7017 1 15 . 1 1 63 63 THR H H 63 9.432 9.432 8.786 0.646 19433 7018 1 15 . 1 1 64 64 GLN N N 64 120.671 120.671 122.152 -1.481 19433 7019 1 15 . 1 1 64 64 GLN HA H 64 3.842 3.842 3.966 -0.124 19433 7020 1 15 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.936 -2.664 19433 7021 1 15 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.561 -2.475 19433 7022 1 15 . 1 1 64 64 GLN H H 64 8.037 8.037 8.646 -0.609 19433 7023 1 15 . 1 1 65 65 SER N N 65 110.096 110.096 113.241 -3.145 19433 7024 1 15 . 1 1 65 65 SER HA H 65 4.351 4.351 4.324 0.027 19433 7025 1 15 . 1 1 65 65 SER CA C 65 55.577 55.577 58.682 -3.105 19433 7026 1 15 . 1 1 65 65 SER CB C 65 60.350 60.350 63.192 -2.842 19433 7027 1 15 . 1 1 65 65 SER H H 65 7.670 7.670 7.765 -0.095 19433 7028 1 15 . 1 1 66 66 GLY N N 66 109.466 109.466 108.632 0.834 19433 7029 1 15 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.386 -2.736 19433 7030 1 15 . 1 1 66 66 GLY H H 66 7.810 7.810 7.769 0.041 19433 7031 1 15 . 1 1 67 67 GLU N N 67 121.149 121.149 120.651 0.498 19433 7032 1 15 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.391 -0.088 19433 7033 1 15 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.876 -1.957 19433 7034 1 15 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.322 -4.292 19433 7035 1 15 . 1 1 67 67 GLU H H 67 7.518 7.518 7.720 -0.202 19433 7036 1 15 . 1 1 68 68 LYS N N 68 124.553 124.553 123.540 1.013 19433 7037 1 15 . 1 1 68 68 LYS HA H 68 4.886 4.886 5.043 -0.157 19433 7038 1 15 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.157 -2.155 19433 7039 1 15 . 1 1 68 68 LYS CB C 68 31.499 31.499 35.263 -3.764 19433 7040 1 15 . 1 1 68 68 LYS H H 68 8.631 8.631 8.495 0.136 19433 7041 1 15 . 1 1 69 69 PHE N N 69 119.363 119.363 120.286 -0.923 19433 7042 1 15 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.088 0.074 19433 7043 1 15 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.740 -3.130 19433 7044 1 15 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.358 -1.827 19433 7045 1 15 . 1 1 69 69 PHE H H 69 8.180 8.180 8.598 -0.418 19433 7046 1 15 . 1 1 70 70 THR N N 70 113.468 113.468 111.767 1.701 19433 7047 1 15 . 1 1 70 70 THR HA H 70 5.331 5.331 4.763 0.568 19433 7048 1 15 . 1 1 70 70 THR CA C 70 57.694 57.694 60.017 -2.324 19433 7049 1 15 . 1 1 70 70 THR CB C 70 69.969 69.969 72.246 -2.277 19433 7050 1 15 . 1 1 70 70 THR H H 70 8.623 8.623 8.597 0.026 19433 7051 1 15 . 1 1 71 71 GLY N N 71 110.469 110.469 108.382 2.087 19433 7052 1 15 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.504 -1.746 19433 7053 1 15 . 1 1 71 71 GLY H H 71 8.955 8.955 7.646 1.309 19433 7054 1 15 . 1 1 72 72 HIS N N 72 121.565 121.565 125.530 -3.965 19433 7055 1 15 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.974 0.312 19433 7056 1 15 . 1 1 72 72 HIS CA C 72 51.920 51.920 55.056 -3.136 19433 7057 1 15 . 1 1 72 72 HIS CB C 72 28.409 28.409 28.946 -0.537 19433 7058 1 15 . 1 1 72 72 HIS H H 72 8.162 8.162 7.993 0.169 19433 7059 1 15 . 1 1 73 73 PHE N N 73 122.114 122.114 124.995 -2.881 19433 7060 1 15 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.893 0.101 19433 7061 1 15 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.804 -2.802 19433 7062 1 15 . 1 1 73 73 PHE CB C 73 40.278 40.278 41.600 -1.322 19433 7063 1 15 . 1 1 73 73 PHE H H 73 9.117 9.117 9.271 -0.154 19433 7064 1 15 . 1 1 74 74 LYS N N 74 122.834 122.834 121.040 1.794 19433 7065 1 15 . 1 1 74 74 LYS HA H 74 4.876 4.876 5.103 -0.227 19433 7066 1 15 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.109 -2.308 19433 7067 1 15 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.451 -3.710 19433 7068 1 15 . 1 1 74 74 LYS H H 74 8.889 8.889 8.620 0.269 19433 7069 1 15 . 1 1 75 75 GLY N N 75 109.821 109.821 108.575 1.246 19433 7070 1 15 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.619 -1.384 19433 7071 1 15 . 1 1 75 75 GLY H H 75 8.418 8.418 8.431 -0.013 19433 7072 1 15 . 1 1 76 76 LEU N N 76 119.557 119.557 119.325 0.232 19433 7073 1 15 . 1 1 76 76 LEU HA H 76 4.340 4.340 5.053 -0.713 19433 7074 1 15 . 1 1 76 76 LEU CA C 76 52.374 52.374 53.664 -1.290 19433 7075 1 15 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.487 -3.828 19433 7076 1 15 . 1 1 76 76 LEU H H 76 7.893 7.893 7.728 0.165 19433 7077 1 15 . 1 1 77 77 VAL N N 77 118.411 118.411 117.995 0.416 19433 7078 1 15 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.556 -0.163 19433 7079 1 15 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.713 -2.268 19433 7080 1 15 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.684 -2.472 19433 7081 1 15 . 1 1 77 77 VAL H H 77 8.583 8.583 7.895 0.688 19433 7082 1 15 . 1 1 78 78 GLY N N 78 111.284 111.284 109.037 2.247 19433 7083 1 15 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.245 -2.247 19433 7084 1 15 . 1 1 78 78 GLY H H 78 8.218 8.218 8.076 0.142 19433 7085 1 15 . 1 1 79 79 LYS N N 79 120.895 120.895 119.934 0.961 19433 7086 1 15 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.281 -0.004 19433 7087 1 15 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.585 -2.134 19433 7088 1 15 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.797 -2.520 19433 7089 1 15 . 1 1 79 79 LYS H H 79 8.347 8.347 8.335 0.012 19433 7090 1 15 . 1 1 80 80 ASP N N 80 119.681 119.681 116.416 3.265 19433 7091 1 15 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.162 -0.355 19433 7092 1 15 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.734 -1.500 19433 7093 1 15 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.493 -5.470 19433 7094 1 15 . 1 1 80 80 ASP H H 80 7.993 7.993 7.579 0.414 19433 7095 1 15 . 1 1 81 81 THR N N 81 118.659 118.659 113.419 5.240 19433 7096 1 15 . 1 1 81 81 THR HA H 81 4.076 4.076 4.477 -0.401 19433 7097 1 15 . 1 1 81 81 THR CA C 81 60.371 60.371 61.322 -0.951 19433 7098 1 15 . 1 1 81 81 THR CB C 81 67.694 67.694 70.155 -2.461 19433 7099 1 15 . 1 1 81 81 THR H H 81 8.002 8.002 8.016 -0.014 19433 7100 1 15 . 1 1 82 82 ARG N N 82 127.944 127.944 126.472 1.472 19433 7101 1 15 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.263 -0.666 19433 7102 1 15 . 1 1 82 82 ARG CA C 82 52.171 52.171 55.340 -3.169 19433 7103 1 15 . 1 1 82 82 ARG CB C 82 29.608 29.608 32.057 -2.449 19433 7104 1 15 . 1 1 82 82 ARG H H 82 8.183 8.183 8.380 -0.197 19433 7105 1 15 . 1 1 83 83 VAL N N 83 121.617 121.617 120.299 1.318 19433 7106 1 15 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.225 -0.161 19433 7107 1 15 . 1 1 83 83 VAL CA C 83 57.675 57.675 60.930 -3.255 19433 7108 1 15 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.190 -3.875 19433 7109 1 15 . 1 1 83 83 VAL H H 83 8.639 8.639 8.271 0.368 19433 7110 1 15 . 1 1 84 84 PHE N N 84 124.702 124.702 126.742 -2.040 19433 7111 1 15 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.906 0.061 19433 7112 1 15 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.201 -0.402 19433 7113 1 15 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.831 -0.143 19433 7114 1 15 . 1 1 84 84 PHE H H 84 9.198 9.198 9.112 0.086 19433 7115 1 15 . 1 1 85 85 ILE N N 85 123.027 123.027 125.423 -2.396 19433 7116 1 15 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.172 0.275 19433 7117 1 15 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.167 -4.254 19433 7118 1 15 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.556 -1.686 19433 7119 1 15 . 1 1 85 85 ILE H H 85 8.650 8.650 8.222 0.428 19433 7120 1 15 . 1 1 86 86 GLU N N 86 124.137 124.137 125.495 -1.358 19433 7121 1 15 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.899 -0.324 19433 7122 1 15 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.064 -2.533 19433 7123 1 15 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.657 -2.130 19433 7124 1 15 . 1 1 86 86 GLU H H 86 8.754 8.754 8.291 0.463 19433 7125 1 15 . 1 1 87 87 LEU N N 87 120.087 120.087 120.303 -0.216 19433 7126 1 15 . 1 1 87 87 LEU HA H 87 4.861 4.861 4.917 -0.056 19433 7127 1 15 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.584 -3.454 19433 7128 1 15 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.528 -2.268 19433 7129 1 15 . 1 1 87 87 LEU H H 87 8.394 8.394 8.470 -0.076 19433 7130 1 15 . 1 1 88 88 ASP N N 88 123.072 123.072 118.096 4.976 19433 7131 1 15 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.747 -0.088 19433 7132 1 15 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.311 -4.092 19433 7133 1 15 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.350 -4.243 19433 7134 1 15 . 1 1 88 88 ASP H H 88 8.770 8.770 8.381 0.389 19433 7135 1 15 . 1 1 89 89 GLU N N 89 117.437 117.437 117.693 -0.256 19433 7136 1 15 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.981 0.095 19433 7137 1 15 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.132 -3.144 19433 7138 1 15 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.555 -2.393 19433 7139 1 15 . 1 1 89 89 GLU H H 89 9.033 9.033 8.847 0.186 19433 7140 1 15 . 1 1 90 90 ASN N N 90 118.824 118.824 119.057 -0.233 19433 7141 1 15 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.824 -0.038 19433 7142 1 15 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.799 -2.629 19433 7143 1 15 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.535 -2.839 19433 7144 1 15 . 1 1 90 90 ASN H H 90 8.351 8.351 8.236 0.115 19433 7145 1 15 . 1 1 91 91 ALA N N 91 118.167 118.167 120.741 -2.574 19433 7146 1 15 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.848 -0.096 19433 7147 1 15 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.332 -2.077 19433 7148 1 15 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.500 -3.583 19433 7149 1 15 . 1 1 91 91 ALA H H 91 8.284 8.284 8.115 0.169 19433 7150 1 15 . 1 1 92 92 ASP N N 92 118.574 118.574 118.818 -0.244 19433 7151 1 15 . 1 1 92 92 ASP HA H 92 4.932 4.932 5.051 -0.119 19433 7152 1 15 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.280 -2.464 19433 7153 1 15 . 1 1 92 92 ASP CB C 92 39.170 39.170 43.627 -4.457 19433 7154 1 15 . 1 1 92 92 ASP H H 92 8.215 8.215 7.760 0.455 19433 7155 1 15 . 1 1 93 93 VAL N N 93 121.604 121.604 123.459 -1.855 19433 7156 1 15 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.163 -0.094 19433 7157 1 15 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.008 -2.554 19433 7158 1 15 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.704 -2.716 19433 7159 1 15 . 1 1 93 93 VAL H H 93 8.440 8.440 8.590 -0.150 19433 7160 1 15 . 1 1 94 94 GLN N N 94 125.344 125.344 127.148 -1.804 19433 7161 1 15 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.633 0.128 19433 7162 1 15 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.575 -3.261 19433 7163 1 15 . 1 1 94 94 GLN CB C 94 29.399 29.399 30.641 -1.242 19433 7164 1 15 . 1 1 94 94 GLN H H 94 8.958 8.958 8.128 0.830 19433 7165 1 15 . 1 1 95 95 VAL N N 95 119.370 119.370 118.058 1.312 19433 7166 1 15 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.449 0.612 19433 7167 1 15 . 1 1 95 95 VAL CA C 95 57.280 57.280 62.053 -4.773 19433 7168 1 15 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.644 -3.718 19433 7169 1 15 . 1 1 95 95 VAL H H 95 8.420 8.420 8.375 0.045 19433 7170 1 15 . 1 1 96 96 PHE N N 96 126.219 126.219 127.951 -1.732 19433 7171 1 15 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.120 -0.088 19433 7172 1 15 . 1 1 96 96 PHE CA C 96 53.890 53.890 55.773 -1.883 19433 7173 1 15 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.948 -3.445 19433 7174 1 15 . 1 1 96 96 PHE H H 96 9.314 9.314 9.334 -0.020 19433 7175 1 15 . 1 1 97 97 ILE N N 97 123.424 123.424 115.426 7.998 19433 7176 1 15 . 1 1 97 97 ILE HA H 97 4.814 4.814 3.964 0.850 19433 7177 1 15 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.236 -2.170 19433 7178 1 15 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.469 -3.192 19433 7179 1 15 . 1 1 97 97 ILE H H 97 7.613 7.613 6.778 0.835 19433 7180 1 15 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.222 0.048 19433 7181 1 15 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.079 -2.081 19433 7182 1 15 . 1 1 98 98 PRO CB C 98 29.657 29.657 30.191 -0.534 19433 7183 1 15 . 1 1 99 99 GLN N N 99 121.028 121.028 122.418 -1.390 19433 7184 1 15 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.356 0.099 19433 7185 1 15 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.993 -2.373 19433 7186 1 15 . 1 1 99 99 GLN CB C 99 28.443 28.443 30.171 -1.728 19433 7187 1 15 . 1 1 99 99 GLN H H 99 8.507 8.507 7.792 0.715 19433 7188 1 15 . 1 1 100 100 GLY N N 100 110.029 110.029 106.712 3.317 19433 7189 1 15 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.964 -3.336 19433 7190 1 15 . 1 1 100 100 GLY H H 100 8.356 8.356 8.497 -0.141 19433 7191 1 15 . 1 1 101 101 GLU N N 101 120.385 120.385 120.530 -0.145 19433 7192 1 15 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.447 -0.156 19433 7193 1 15 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.975 -2.224 19433 7194 1 15 . 1 1 101 101 GLU CB C 101 27.830 27.830 30.392 -2.562 19433 7195 1 15 . 1 1 101 101 GLU H H 101 8.378 8.378 8.257 0.121 19433 7196 1 15 . 1 1 102 102 ILE N N 102 120.838 120.838 122.411 -1.573 19433 7197 1 15 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.458 -0.292 19433 7198 1 15 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.922 -2.554 19433 7199 1 15 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.069 -1.356 19433 7200 1 15 . 1 1 102 102 ILE H H 102 8.168 8.168 8.068 0.100 19433 7201 1 16 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.671 -0.440 19433 7202 1 16 . 1 1 2 2 ALA CA C 2 50.533 50.533 52.622 -2.089 19433 7203 1 16 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.267 -2.623 19433 7204 1 16 . 1 1 3 3 GLN N N 3 118.180 118.180 116.391 1.789 19433 7205 1 16 . 1 1 3 3 GLN HA H 3 4.268 4.268 3.923 0.345 19433 7206 1 16 . 1 1 3 3 GLN CB C 3 26.439 26.439 27.667 -1.228 19433 7207 1 16 . 1 1 3 3 GLN H H 3 8.579 8.579 8.458 0.121 19433 7208 1 16 . 1 1 4 4 ASP N N 4 120.328 120.328 117.944 2.384 19433 7209 1 16 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.804 -0.307 19433 7210 1 16 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.746 -1.982 19433 7211 1 16 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.214 -2.692 19433 7212 1 16 . 1 1 4 4 ASP H H 4 8.061 8.061 8.027 0.034 19433 7213 1 16 . 1 1 5 5 GLY N N 5 109.114 109.114 108.417 0.697 19433 7214 1 16 . 1 1 5 5 GLY CA C 5 43.030 43.030 44.980 -1.950 19433 7215 1 16 . 1 1 5 5 GLY H H 5 8.322 8.322 8.105 0.217 19433 7216 1 16 . 1 1 6 6 LYS N N 6 120.397 120.397 119.282 1.115 19433 7217 1 16 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.480 -0.183 19433 7218 1 16 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.148 -2.829 19433 7219 1 16 . 1 1 6 6 LYS CB C 6 30.441 30.441 33.144 -2.703 19433 7220 1 16 . 1 1 6 6 LYS H H 6 8.030 8.030 8.202 -0.172 19433 7221 1 16 . 1 1 7 7 GLU N N 7 122.113 122.113 119.837 2.276 19433 7222 1 16 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.489 -0.194 19433 7223 1 16 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.849 -2.562 19433 7224 1 16 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.262 -2.505 19433 7225 1 16 . 1 1 7 7 GLU H H 7 8.464 8.464 8.318 0.146 19433 7226 1 16 . 1 1 8 8 THR N N 8 114.459 114.459 115.051 -0.592 19433 7227 1 16 . 1 1 8 8 THR HA H 8 4.543 4.543 4.319 0.224 19433 7228 1 16 . 1 1 8 8 THR CA C 8 57.966 57.966 62.525 -4.559 19433 7229 1 16 . 1 1 8 8 THR CB C 8 68.123 68.123 69.576 -1.453 19433 7230 1 16 . 1 1 8 8 THR H H 8 7.984 7.984 7.672 0.312 19433 7231 1 16 . 1 1 9 9 THR N N 9 116.229 116.229 115.033 1.196 19433 7232 1 16 . 1 1 9 9 THR HA H 9 4.584 4.584 4.780 -0.196 19433 7233 1 16 . 1 1 9 9 THR CA C 9 58.575 58.575 60.981 -2.406 19433 7234 1 16 . 1 1 9 9 THR CB C 9 67.866 67.866 70.016 -2.150 19433 7235 1 16 . 1 1 9 9 THR H H 9 8.140 8.140 8.144 -0.004 19433 7236 1 16 . 1 1 10 10 THR N N 10 118.509 118.509 114.382 4.127 19433 7237 1 16 . 1 1 10 10 THR HA H 10 4.563 4.563 4.498 0.065 19433 7238 1 16 . 1 1 10 10 THR CA C 10 59.364 59.364 61.615 -2.252 19433 7239 1 16 . 1 1 10 10 THR CB C 10 68.411 68.411 72.479 -4.068 19433 7240 1 16 . 1 1 10 10 THR H H 10 8.544 8.544 8.036 0.508 19433 7241 1 16 . 1 1 11 11 ILE N N 11 126.772 126.772 120.951 5.821 19433 7242 1 16 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.333 -0.308 19433 7243 1 16 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.960 -2.637 19433 7244 1 16 . 1 1 11 11 ILE CB C 11 36.340 36.340 42.003 -5.663 19433 7245 1 16 . 1 1 11 11 ILE H H 11 8.595 8.595 8.367 0.228 19433 7246 1 16 . 1 1 12 12 ARG N N 12 125.922 125.922 124.723 1.199 19433 7247 1 16 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.727 0.266 19433 7248 1 16 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.406 -3.516 19433 7249 1 16 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.996 -3.032 19433 7250 1 16 . 1 1 12 12 ARG H H 12 8.031 8.031 8.493 -0.462 19433 7251 1 16 . 1 1 13 13 LEU N N 13 126.771 126.771 126.402 0.369 19433 7252 1 16 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.710 0.233 19433 7253 1 16 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.025 -3.399 19433 7254 1 16 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.934 -1.901 19433 7255 1 16 . 1 1 13 13 LEU H H 13 8.828 8.828 8.951 -0.123 19433 7256 1 16 . 1 1 14 14 ILE N N 14 123.438 123.438 123.229 0.209 19433 7257 1 16 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.691 -0.514 19433 7258 1 16 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.023 -1.509 19433 7259 1 16 . 1 1 14 14 ILE CB C 14 38.667 38.667 39.741 -1.074 19433 7260 1 16 . 1 1 14 14 ILE H H 14 8.847 8.847 8.778 0.069 19433 7261 1 16 . 1 1 15 15 ASN N N 15 123.130 123.130 125.878 -2.748 19433 7262 1 16 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.730 0.150 19433 7263 1 16 . 1 1 15 15 ASN CA C 15 48.668 48.668 52.103 -3.435 19433 7264 1 16 . 1 1 15 15 ASN CB C 15 34.821 34.821 37.725 -2.904 19433 7265 1 16 . 1 1 15 15 ASN H H 15 8.446 8.446 8.725 -0.279 19433 7266 1 16 . 1 1 16 16 GLN N N 16 125.061 125.061 120.948 4.113 19433 7267 1 16 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.658 0.873 19433 7268 1 16 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.681 -3.521 19433 7269 1 16 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.579 0.325 19433 7270 1 16 . 1 1 16 16 GLN H H 16 9.063 9.063 7.784 1.279 19433 7271 1 16 . 1 1 17 17 THR N N 17 110.936 110.936 111.930 -0.994 19433 7272 1 16 . 1 1 17 17 THR HA H 17 4.415 4.415 4.401 0.014 19433 7273 1 16 . 1 1 17 17 THR CA C 17 58.240 58.240 59.865 -1.625 19433 7274 1 16 . 1 1 17 17 THR CB C 17 67.913 67.913 69.968 -2.055 19433 7275 1 16 . 1 1 17 17 THR H H 17 7.765 7.765 7.930 -0.165 19433 7276 1 16 . 1 1 18 18 TYR N N 18 112.380 112.380 116.738 -4.358 19433 7277 1 16 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.777 -0.422 19433 7278 1 16 . 1 1 18 18 TYR CA C 18 54.029 54.029 56.318 -2.289 19433 7279 1 16 . 1 1 18 18 TYR CB C 18 34.567 34.567 38.058 -3.491 19433 7280 1 16 . 1 1 18 18 TYR H H 18 6.950 6.950 8.311 -1.361 19433 7281 1 16 . 1 1 19 19 PHE N N 19 119.710 119.710 116.479 3.231 19433 7282 1 16 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.591 0.405 19433 7283 1 16 . 1 1 19 19 PHE CA C 19 52.010 52.010 55.124 -3.114 19433 7284 1 16 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.733 -1.262 19433 7285 1 16 . 1 1 19 19 PHE H H 19 8.014 8.014 6.946 1.068 19433 7286 1 16 . 1 1 20 20 ASN N N 20 117.921 117.921 117.077 0.844 19433 7287 1 16 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.125 -0.436 19433 7288 1 16 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.546 -0.509 19433 7289 1 16 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.782 -5.476 19433 7290 1 16 . 1 1 20 20 ASN H H 20 8.724 8.724 8.323 0.401 19433 7291 1 16 . 1 1 21 21 VAL N N 21 115.311 115.311 116.418 -1.107 19433 7292 1 16 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.925 -0.041 19433 7293 1 16 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.727 -2.225 19433 7294 1 16 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.487 -3.642 19433 7295 1 16 . 1 1 21 21 VAL H H 21 8.186 8.186 8.806 -0.620 19433 7296 1 16 . 1 1 22 22 LYS N N 22 119.772 119.772 120.919 -1.147 19433 7297 1 16 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.773 0.229 19433 7298 1 16 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.919 -4.386 19433 7299 1 16 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.719 0.546 19433 7300 1 16 . 1 1 22 22 LYS H H 22 9.331 9.331 8.382 0.949 19433 7301 1 16 . 1 1 23 23 ASN N N 23 116.781 116.781 115.551 1.230 19433 7302 1 16 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.792 -0.589 19433 7303 1 16 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.886 -1.953 19433 7304 1 16 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.822 -4.302 19433 7305 1 16 . 1 1 23 23 ASN H H 23 8.573 8.573 8.179 0.394 19433 7306 1 16 . 1 1 24 24 ILE N N 24 118.303 118.303 122.262 -3.959 19433 7307 1 16 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.362 0.382 19433 7308 1 16 . 1 1 24 24 ILE CA C 24 57.544 57.544 60.746 -3.202 19433 7309 1 16 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.847 -1.611 19433 7310 1 16 . 1 1 24 24 ILE H H 24 8.329 8.329 7.626 0.703 19433 7311 1 16 . 1 1 25 25 LYS N N 25 129.189 129.189 128.196 0.993 19433 7312 1 16 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.568 0.318 19433 7313 1 16 . 1 1 25 25 LYS CA C 25 52.761 52.761 56.333 -3.572 19433 7314 1 16 . 1 1 25 25 LYS CB C 25 31.647 31.647 34.261 -2.614 19433 7315 1 16 . 1 1 25 25 LYS H H 25 9.102 9.102 8.051 1.051 19433 7316 1 16 . 1 1 26 26 VAL N N 26 129.283 129.283 124.615 4.668 19433 7317 1 16 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.766 0.200 19433 7318 1 16 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.725 -2.626 19433 7319 1 16 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.991 -5.621 19433 7320 1 16 . 1 1 26 26 VAL H H 26 9.057 9.057 8.130 0.927 19433 7321 1 16 . 1 1 27 27 THR N N 27 120.185 120.185 123.032 -2.847 19433 7322 1 16 . 1 1 27 27 THR HA H 27 5.542 5.542 4.922 0.620 19433 7323 1 16 . 1 1 27 27 THR CA C 27 56.977 56.977 62.331 -5.354 19433 7324 1 16 . 1 1 27 27 THR CB C 27 68.220 68.220 70.722 -2.502 19433 7325 1 16 . 1 1 27 27 THR H H 27 9.177 9.177 8.760 0.417 19433 7326 1 16 . 1 1 28 28 TRP N N 28 123.046 123.046 126.436 -3.390 19433 7327 1 16 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.410 -0.020 19433 7328 1 16 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.482 -1.865 19433 7329 1 16 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.333 -0.371 19433 7330 1 16 . 1 1 28 28 TRP H H 28 8.787 8.787 7.702 1.085 19433 7331 1 16 . 1 1 29 29 ASN N N 29 116.792 116.792 117.177 -0.385 19433 7332 1 16 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.700 -1.284 19433 7333 1 16 . 1 1 29 29 ASN CA C 29 51.265 51.265 53.224 -1.959 19433 7334 1 16 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.770 -7.591 19433 7335 1 16 . 1 1 29 29 ASN H H 29 8.193 8.193 7.547 0.646 19433 7336 1 16 . 1 1 30 30 ASP N N 30 118.710 118.710 120.721 -2.011 19433 7337 1 16 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.658 -0.141 19433 7338 1 16 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.118 -2.656 19433 7339 1 16 . 1 1 30 30 ASP CB C 30 36.498 36.498 38.863 -2.365 19433 7340 1 16 . 1 1 30 30 ASP H H 30 8.937 8.937 8.496 0.441 19433 7341 1 16 . 1 1 31 31 GLY N N 31 106.542 106.542 108.728 -2.186 19433 7342 1 16 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.738 -1.272 19433 7343 1 16 . 1 1 31 31 GLY H H 31 7.594 7.594 7.700 -0.106 19433 7344 1 16 . 1 1 32 32 LYS N N 32 121.904 121.904 122.743 -0.839 19433 7345 1 16 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.330 -0.441 19433 7346 1 16 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.324 -2.499 19433 7347 1 16 . 1 1 32 32 LYS CB C 32 28.130 28.130 32.468 -4.338 19433 7348 1 16 . 1 1 32 32 LYS H H 32 7.510 7.510 7.864 -0.354 19433 7349 1 16 . 1 1 33 33 GLU N N 33 119.124 119.124 122.483 -3.359 19433 7350 1 16 . 1 1 33 33 GLU HA H 33 5.280 5.280 3.722 1.558 19433 7351 1 16 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.322 -1.991 19433 7352 1 16 . 1 1 33 33 GLU CB C 33 31.709 31.709 32.773 -1.064 19433 7353 1 16 . 1 1 33 33 GLU H H 33 7.843 7.843 8.066 -0.223 19433 7354 1 16 . 1 1 34 34 GLN N N 34 123.230 123.230 116.674 6.556 19433 7355 1 16 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.694 -0.271 19433 7356 1 16 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.609 -2.312 19433 7357 1 16 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.841 -2.599 19433 7358 1 16 . 1 1 34 34 GLN H H 34 9.114 9.114 8.297 0.817 19433 7359 1 16 . 1 1 35 35 THR N N 35 119.194 119.194 111.895 7.299 19433 7360 1 16 . 1 1 35 35 THR HA H 35 5.241 5.241 5.173 0.068 19433 7361 1 16 . 1 1 35 35 THR CA C 35 58.075 58.075 59.892 -1.817 19433 7362 1 16 . 1 1 35 35 THR CB C 35 67.936 67.936 71.096 -3.160 19433 7363 1 16 . 1 1 35 35 THR H H 35 8.397 8.397 8.151 0.246 19433 7364 1 16 . 1 1 36 36 VAL N N 36 126.317 126.317 123.867 2.450 19433 7365 1 16 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.091 0.075 19433 7366 1 16 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.437 -3.141 19433 7367 1 16 . 1 1 36 36 VAL CB C 36 31.785 31.785 33.296 -1.511 19433 7368 1 16 . 1 1 36 36 VAL H H 36 8.976 8.976 8.062 0.914 19433 7369 1 16 . 1 1 37 37 ASN N N 37 126.536 126.536 125.511 1.025 19433 7370 1 16 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.497 -0.136 19433 7371 1 16 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.763 -0.669 19433 7372 1 16 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.744 -2.990 19433 7373 1 16 . 1 1 37 37 ASN H H 37 8.974 8.974 8.950 0.024 19433 7374 1 16 . 1 1 38 38 THR N N 38 112.460 112.460 111.455 1.005 19433 7375 1 16 . 1 1 38 38 THR HA H 38 4.850 4.850 4.829 0.021 19433 7376 1 16 . 1 1 38 38 THR CA C 38 58.536 58.536 61.655 -3.119 19433 7377 1 16 . 1 1 38 38 THR CB C 38 69.085 69.085 72.122 -3.037 19433 7378 1 16 . 1 1 38 38 THR H H 38 7.762 7.762 7.598 0.164 19433 7379 1 16 . 1 1 39 39 LEU N N 39 126.316 126.316 124.707 1.609 19433 7380 1 16 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.838 -0.295 19433 7381 1 16 . 1 1 39 39 LEU CA C 39 51.785 51.785 52.751 -0.966 19433 7382 1 16 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.903 -3.562 19433 7383 1 16 . 1 1 39 39 LEU H H 39 8.572 8.572 9.065 -0.493 19433 7384 1 16 . 1 1 40 40 GLY N N 40 116.669 116.669 112.180 4.489 19433 7385 1 16 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.935 -2.670 19433 7386 1 16 . 1 1 40 40 GLY H H 40 9.303 9.303 8.710 0.593 19433 7387 1 16 . 1 1 41 41 SER N N 41 113.384 113.384 116.528 -3.144 19433 7388 1 16 . 1 1 41 41 SER HA H 41 3.612 3.612 4.676 -1.064 19433 7389 1 16 . 1 1 41 41 SER CA C 41 56.211 56.211 57.338 -1.127 19433 7390 1 16 . 1 1 41 41 SER CB C 41 60.482 60.482 64.133 -3.651 19433 7391 1 16 . 1 1 41 41 SER H H 41 7.883 7.883 7.973 -0.090 19433 7392 1 16 . 1 1 42 42 HIS N N 42 120.045 120.045 120.055 -0.010 19433 7393 1 16 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.241 0.191 19433 7394 1 16 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.108 -3.104 19433 7395 1 16 . 1 1 42 42 HIS CB C 42 23.445 23.445 29.343 -5.898 19433 7396 1 16 . 1 1 42 42 HIS H H 42 7.882 7.882 8.593 -0.711 19433 7397 1 16 . 1 1 43 43 ASP N N 43 119.308 119.308 117.951 1.357 19433 7398 1 16 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.766 0.271 19433 7399 1 16 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.725 -4.647 19433 7400 1 16 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.585 -1.876 19433 7401 1 16 . 1 1 43 43 ASP H H 43 7.906 7.906 7.700 0.206 19433 7402 1 16 . 1 1 44 44 SER N N 44 111.544 111.544 112.541 -0.997 19433 7403 1 16 . 1 1 44 44 SER HA H 44 5.617 5.617 5.476 0.141 19433 7404 1 16 . 1 1 44 44 SER CA C 44 53.597 53.597 56.750 -3.153 19433 7405 1 16 . 1 1 44 44 SER CB C 44 65.207 65.207 66.798 -1.591 19433 7406 1 16 . 1 1 44 44 SER H H 44 8.396 8.396 8.318 0.078 19433 7407 1 16 . 1 1 45 45 ILE N N 45 119.898 119.898 120.692 -0.794 19433 7408 1 16 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.640 -0.130 19433 7409 1 16 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.218 -3.179 19433 7410 1 16 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.009 -2.763 19433 7411 1 16 . 1 1 45 45 ILE H H 45 8.726 8.726 8.714 0.012 19433 7412 1 16 . 1 1 46 46 ASP N N 46 123.866 123.866 123.540 0.326 19433 7413 1 16 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.327 0.194 19433 7414 1 16 . 1 1 46 46 ASP CA C 46 49.373 49.373 53.003 -3.630 19433 7415 1 16 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.718 -2.906 19433 7416 1 16 . 1 1 46 46 ASP H H 46 7.891 7.891 8.237 -0.346 19433 7417 1 16 . 1 1 47 47 PHE N N 47 116.649 116.649 116.906 -0.257 19433 7418 1 16 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.885 -0.112 19433 7419 1 16 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.326 -3.238 19433 7420 1 16 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.368 -3.628 19433 7421 1 16 . 1 1 47 47 PHE H H 47 8.654 8.654 7.846 0.808 19433 7422 1 16 . 1 1 48 48 SER N N 48 114.033 114.033 117.117 -3.084 19433 7423 1 16 . 1 1 48 48 SER HA H 48 4.729 4.729 4.698 0.031 19433 7424 1 16 . 1 1 48 48 SER CA C 48 49.403 49.403 57.281 -7.878 19433 7425 1 16 . 1 1 48 48 SER CB C 48 61.957 61.957 64.096 -2.139 19433 7426 1 16 . 1 1 48 48 SER H H 48 8.667 8.667 8.548 0.119 19433 7427 1 16 . 1 1 49 49 SER N N 49 119.169 119.169 121.437 -2.268 19433 7428 1 16 . 1 1 49 49 SER HA H 49 4.357 4.357 4.310 0.047 19433 7429 1 16 . 1 1 49 49 SER CA C 49 55.003 55.003 58.147 -3.144 19433 7430 1 16 . 1 1 49 49 SER CB C 49 61.708 61.708 63.322 -1.614 19433 7431 1 16 . 1 1 49 49 SER H H 49 8.644 8.644 8.227 0.417 19433 7432 1 16 . 1 1 50 50 ASP N N 50 120.389 120.389 119.643 0.746 19433 7433 1 16 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.771 -0.326 19433 7434 1 16 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.211 -1.779 19433 7435 1 16 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.829 -2.707 19433 7436 1 16 . 1 1 50 50 ASP H H 50 8.743 8.743 8.802 -0.059 19433 7437 1 16 . 1 1 51 51 ALA N N 51 120.149 120.149 122.228 -2.079 19433 7438 1 16 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.796 -0.170 19433 7439 1 16 . 1 1 51 51 ALA CA C 51 48.702 48.702 50.518 -1.816 19433 7440 1 16 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.416 -2.220 19433 7441 1 16 . 1 1 51 51 ALA H H 51 8.178 8.178 7.486 0.692 19433 7442 1 16 . 1 1 52 52 GLY N N 52 106.575 106.575 107.578 -1.003 19433 7443 1 16 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.148 -3.281 19433 7444 1 16 . 1 1 52 52 GLY H H 52 8.465 8.465 8.997 -0.532 19433 7445 1 16 . 1 1 53 53 SER N N 53 111.247 111.247 112.332 -1.085 19433 7446 1 16 . 1 1 53 53 SER HA H 53 4.371 4.371 4.391 -0.020 19433 7447 1 16 . 1 1 53 53 SER CA C 53 55.270 55.270 57.230 -1.960 19433 7448 1 16 . 1 1 53 53 SER CB C 53 61.515 61.515 64.482 -2.967 19433 7449 1 16 . 1 1 53 53 SER H H 53 7.606 7.606 7.494 0.112 19433 7450 1 16 . 1 1 54 54 VAL N N 54 124.481 124.481 121.901 2.580 19433 7451 1 16 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.269 0.037 19433 7452 1 16 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.727 -1.952 19433 7453 1 16 . 1 1 54 54 VAL CB C 54 29.693 29.693 32.874 -3.181 19433 7454 1 16 . 1 1 54 54 VAL H H 54 8.587 8.587 8.601 -0.014 19433 7455 1 16 . 1 1 55 55 TYR N N 55 122.616 122.616 120.651 1.965 19433 7456 1 16 . 1 1 55 55 TYR HA H 55 5.181 5.181 4.939 0.242 19433 7457 1 16 . 1 1 55 55 TYR CA C 55 53.682 53.682 54.822 -1.140 19433 7458 1 16 . 1 1 55 55 TYR CB C 55 36.877 36.877 38.606 -1.729 19433 7459 1 16 . 1 1 55 55 TYR H H 55 8.586 8.586 8.017 0.569 19433 7460 1 16 . 1 1 56 56 LYS N N 56 121.197 121.197 117.799 3.398 19433 7461 1 16 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.770 -0.014 19433 7462 1 16 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.610 -2.204 19433 7463 1 16 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.151 -3.678 19433 7464 1 16 . 1 1 56 56 LYS H H 56 7.276 7.276 7.578 -0.302 19433 7465 1 16 . 1 1 57 57 MET N N 57 122.040 122.040 121.443 0.597 19433 7466 1 16 . 1 1 57 57 MET HA H 57 5.440 5.440 5.336 0.104 19433 7467 1 16 . 1 1 57 57 MET CA C 57 52.893 52.893 55.052 -2.159 19433 7468 1 16 . 1 1 57 57 MET CB C 57 35.646 35.646 37.479 -1.833 19433 7469 1 16 . 1 1 57 57 MET H H 57 8.637 8.637 9.055 -0.418 19433 7470 1 16 . 1 1 58 58 ASP N N 58 125.086 125.086 129.473 -4.387 19433 7471 1 16 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.569 0.171 19433 7472 1 16 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.556 -2.772 19433 7473 1 16 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.820 -1.481 19433 7474 1 16 . 1 1 58 58 ASP H H 58 9.367 9.367 9.193 0.174 19433 7475 1 16 . 1 1 59 59 VAL N N 59 120.817 120.817 124.246 -3.429 19433 7476 1 16 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.915 0.143 19433 7477 1 16 . 1 1 59 59 VAL CA C 59 58.103 58.103 60.599 -2.496 19433 7478 1 16 . 1 1 59 59 VAL CB C 59 33.782 33.782 34.615 -0.833 19433 7479 1 16 . 1 1 59 59 VAL H H 59 8.890 8.890 8.914 -0.024 19433 7480 1 16 . 1 1 60 60 THR N N 60 120.028 120.028 120.482 -0.454 19433 7481 1 16 . 1 1 60 60 THR HA H 60 5.125 5.125 4.920 0.204 19433 7482 1 16 . 1 1 60 60 THR CA C 60 56.923 56.923 61.792 -4.869 19433 7483 1 16 . 1 1 60 60 THR CB C 60 68.946 68.946 69.732 -0.786 19433 7484 1 16 . 1 1 60 60 THR H H 60 8.578 8.578 8.950 -0.372 19433 7485 1 16 . 1 1 61 61 GLY N N 61 108.812 108.812 114.104 -5.292 19433 7486 1 16 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.048 -0.854 19433 7487 1 16 . 1 1 61 61 GLY H H 61 7.330 7.330 7.753 -0.423 19433 7488 1 16 . 1 1 62 62 THR N N 62 111.342 111.342 115.315 -3.973 19433 7489 1 16 . 1 1 62 62 THR HA H 62 5.333 5.333 5.187 0.146 19433 7490 1 16 . 1 1 62 62 THR CA C 62 57.514 57.514 60.076 -2.562 19433 7491 1 16 . 1 1 62 62 THR CB C 62 69.348 69.348 71.876 -2.528 19433 7492 1 16 . 1 1 62 62 THR H H 62 8.013 8.013 7.595 0.418 19433 7493 1 16 . 1 1 63 63 THR N N 63 115.003 115.003 114.568 0.435 19433 7494 1 16 . 1 1 63 63 THR HA H 63 4.751 4.751 4.298 0.453 19433 7495 1 16 . 1 1 63 63 THR CA C 63 58.700 58.700 60.310 -1.610 19433 7496 1 16 . 1 1 63 63 THR CB C 63 68.654 68.654 70.433 -1.779 19433 7497 1 16 . 1 1 63 63 THR H H 63 9.432 9.432 8.653 0.779 19433 7498 1 16 . 1 1 64 64 GLN N N 64 120.671 120.671 121.914 -1.243 19433 7499 1 16 . 1 1 64 64 GLN HA H 64 3.842 3.842 3.952 -0.110 19433 7500 1 16 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.032 -2.760 19433 7501 1 16 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.373 -2.287 19433 7502 1 16 . 1 1 64 64 GLN H H 64 8.037 8.037 8.392 -0.355 19433 7503 1 16 . 1 1 65 65 SER N N 65 110.096 110.096 113.076 -2.980 19433 7504 1 16 . 1 1 65 65 SER HA H 65 4.351 4.351 4.312 0.039 19433 7505 1 16 . 1 1 65 65 SER CA C 65 55.577 55.577 58.823 -3.246 19433 7506 1 16 . 1 1 65 65 SER CB C 65 60.350 60.350 63.147 -2.797 19433 7507 1 16 . 1 1 65 65 SER H H 65 7.670 7.670 8.331 -0.661 19433 7508 1 16 . 1 1 66 66 GLY N N 66 109.466 109.466 109.080 0.386 19433 7509 1 16 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.252 -2.602 19433 7510 1 16 . 1 1 66 66 GLY H H 66 7.810 7.810 7.705 0.105 19433 7511 1 16 . 1 1 67 67 GLU N N 67 121.149 121.149 120.708 0.441 19433 7512 1 16 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.381 -0.078 19433 7513 1 16 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.921 -2.002 19433 7514 1 16 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.191 -4.161 19433 7515 1 16 . 1 1 67 67 GLU H H 67 7.518 7.518 8.110 -0.592 19433 7516 1 16 . 1 1 68 68 LYS N N 68 124.553 124.553 123.003 1.550 19433 7517 1 16 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.895 -0.009 19433 7518 1 16 . 1 1 68 68 LYS CA C 68 53.002 53.002 54.746 -1.744 19433 7519 1 16 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.425 -2.926 19433 7520 1 16 . 1 1 68 68 LYS H H 68 8.631 8.631 8.431 0.200 19433 7521 1 16 . 1 1 69 69 PHE N N 69 119.363 119.363 124.011 -4.648 19433 7522 1 16 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.197 -0.035 19433 7523 1 16 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.814 -3.204 19433 7524 1 16 . 1 1 69 69 PHE CB C 69 39.531 39.531 39.732 -0.201 19433 7525 1 16 . 1 1 69 69 PHE H H 69 8.180 8.180 8.372 -0.192 19433 7526 1 16 . 1 1 70 70 THR N N 70 113.468 113.468 111.159 2.309 19433 7527 1 16 . 1 1 70 70 THR HA H 70 5.331 5.331 4.941 0.390 19433 7528 1 16 . 1 1 70 70 THR CA C 70 57.694 57.694 59.929 -2.235 19433 7529 1 16 . 1 1 70 70 THR CB C 70 69.969 69.969 72.352 -2.383 19433 7530 1 16 . 1 1 70 70 THR H H 70 8.623 8.623 8.361 0.262 19433 7531 1 16 . 1 1 71 71 GLY N N 71 110.469 110.469 108.243 2.226 19433 7532 1 16 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.938 -2.180 19433 7533 1 16 . 1 1 71 71 GLY H H 71 8.955 8.955 8.223 0.732 19433 7534 1 16 . 1 1 72 72 HIS N N 72 121.565 121.565 124.728 -3.163 19433 7535 1 16 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.747 0.539 19433 7536 1 16 . 1 1 72 72 HIS CA C 72 51.920 51.920 55.142 -3.221 19433 7537 1 16 . 1 1 72 72 HIS CB C 72 28.409 28.409 28.309 0.100 19433 7538 1 16 . 1 1 72 72 HIS H H 72 8.162 8.162 8.069 0.093 19433 7539 1 16 . 1 1 73 73 PHE N N 73 122.114 122.114 123.756 -1.642 19433 7540 1 16 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.868 0.126 19433 7541 1 16 . 1 1 73 73 PHE CA C 73 54.002 54.002 56.965 -2.963 19433 7542 1 16 . 1 1 73 73 PHE CB C 73 40.278 40.278 41.299 -1.021 19433 7543 1 16 . 1 1 73 73 PHE H H 73 9.117 9.117 9.181 -0.064 19433 7544 1 16 . 1 1 74 74 LYS N N 74 122.834 122.834 120.260 2.574 19433 7545 1 16 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.773 0.103 19433 7546 1 16 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.498 -2.697 19433 7547 1 16 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.404 -3.663 19433 7548 1 16 . 1 1 74 74 LYS H H 74 8.889 8.889 8.470 0.419 19433 7549 1 16 . 1 1 75 75 GLY N N 75 109.821 109.821 107.573 2.248 19433 7550 1 16 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.771 -1.536 19433 7551 1 16 . 1 1 75 75 GLY H H 75 8.418 8.418 8.169 0.249 19433 7552 1 16 . 1 1 76 76 LEU N N 76 119.557 119.557 119.779 -0.222 19433 7553 1 16 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.356 -0.016 19433 7554 1 16 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.855 -2.481 19433 7555 1 16 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.019 -3.360 19433 7556 1 16 . 1 1 76 76 LEU H H 76 7.893 7.893 7.785 0.108 19433 7557 1 16 . 1 1 77 77 VAL N N 77 118.411 118.411 116.057 2.354 19433 7558 1 16 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.406 -0.013 19433 7559 1 16 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.399 -1.954 19433 7560 1 16 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.975 -2.763 19433 7561 1 16 . 1 1 77 77 VAL H H 77 8.583 8.583 8.158 0.425 19433 7562 1 16 . 1 1 78 78 GLY N N 78 111.284 111.284 109.364 1.920 19433 7563 1 16 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.406 -2.408 19433 7564 1 16 . 1 1 78 78 GLY H H 78 8.218 8.218 8.202 0.016 19433 7565 1 16 . 1 1 79 79 LYS N N 79 120.895 120.895 119.806 1.089 19433 7566 1 16 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.267 0.010 19433 7567 1 16 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.373 -1.921 19433 7568 1 16 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.993 -2.716 19433 7569 1 16 . 1 1 79 79 LYS H H 79 8.347 8.347 8.452 -0.105 19433 7570 1 16 . 1 1 80 80 ASP N N 80 119.681 119.681 117.123 2.558 19433 7571 1 16 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.376 -0.569 19433 7572 1 16 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.155 -0.921 19433 7573 1 16 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.984 -4.960 19433 7574 1 16 . 1 1 80 80 ASP H H 80 7.993 7.993 7.665 0.328 19433 7575 1 16 . 1 1 81 81 THR N N 81 118.659 118.659 117.125 1.534 19433 7576 1 16 . 1 1 81 81 THR HA H 81 4.076 4.076 4.527 -0.451 19433 7577 1 16 . 1 1 81 81 THR CA C 81 60.371 60.371 61.726 -1.355 19433 7578 1 16 . 1 1 81 81 THR CB C 81 67.694 67.694 69.942 -2.248 19433 7579 1 16 . 1 1 81 81 THR H H 81 8.002 8.002 8.071 -0.069 19433 7580 1 16 . 1 1 82 82 ARG N N 82 127.944 127.944 126.057 1.887 19433 7581 1 16 . 1 1 82 82 ARG HA H 82 4.597 4.597 4.932 -0.335 19433 7582 1 16 . 1 1 82 82 ARG CA C 82 52.171 52.171 56.363 -4.192 19433 7583 1 16 . 1 1 82 82 ARG CB C 82 29.608 29.608 31.381 -1.773 19433 7584 1 16 . 1 1 82 82 ARG H H 82 8.183 8.183 8.426 -0.243 19433 7585 1 16 . 1 1 83 83 VAL N N 83 121.617 121.617 120.491 1.126 19433 7586 1 16 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.273 -0.209 19433 7587 1 16 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.709 -4.034 19433 7588 1 16 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.455 -4.140 19433 7589 1 16 . 1 1 83 83 VAL H H 83 8.639 8.639 8.410 0.229 19433 7590 1 16 . 1 1 84 84 PHE N N 84 124.702 124.702 127.100 -2.398 19433 7591 1 16 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.793 0.174 19433 7592 1 16 . 1 1 84 84 PHE CA C 84 53.799 53.799 55.168 -1.369 19433 7593 1 16 . 1 1 84 84 PHE CB C 84 38.688 38.688 40.282 -1.594 19433 7594 1 16 . 1 1 84 84 PHE H H 84 9.198 9.198 8.989 0.209 19433 7595 1 16 . 1 1 85 85 ILE N N 85 123.027 123.027 122.834 0.193 19433 7596 1 16 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.392 0.055 19433 7597 1 16 . 1 1 85 85 ILE CA C 85 57.913 57.913 60.463 -2.550 19433 7598 1 16 . 1 1 85 85 ILE CB C 85 35.870 35.870 38.698 -2.828 19433 7599 1 16 . 1 1 85 85 ILE H H 85 8.650 8.650 7.992 0.658 19433 7600 1 16 . 1 1 86 86 GLU N N 86 124.137 124.137 123.892 0.245 19433 7601 1 16 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.549 0.026 19433 7602 1 16 . 1 1 86 86 GLU CA C 86 51.531 51.531 53.931 -2.401 19433 7603 1 16 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.556 -1.029 19433 7604 1 16 . 1 1 86 86 GLU H H 86 8.754 8.754 8.050 0.704 19433 7605 1 16 . 1 1 87 87 LEU N N 87 120.087 120.087 120.667 -0.580 19433 7606 1 16 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.203 -0.342 19433 7607 1 16 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.238 -3.108 19433 7608 1 16 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.333 -2.073 19433 7609 1 16 . 1 1 87 87 LEU H H 87 8.394 8.394 8.507 -0.113 19433 7610 1 16 . 1 1 88 88 ASP N N 88 123.072 123.072 121.634 1.438 19433 7611 1 16 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.903 -0.244 19433 7612 1 16 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.518 -3.299 19433 7613 1 16 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.717 -4.610 19433 7614 1 16 . 1 1 88 88 ASP H H 88 8.770 8.770 8.632 0.138 19433 7615 1 16 . 1 1 89 89 GLU N N 89 117.437 117.437 117.672 -0.235 19433 7616 1 16 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.988 0.088 19433 7617 1 16 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.087 -3.099 19433 7618 1 16 . 1 1 89 89 GLU CB C 89 26.162 26.162 29.045 -2.883 19433 7619 1 16 . 1 1 89 89 GLU H H 89 9.033 9.033 8.801 0.232 19433 7620 1 16 . 1 1 90 90 ASN N N 90 118.824 118.824 118.607 0.217 19433 7621 1 16 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.868 -0.082 19433 7622 1 16 . 1 1 90 90 ASN CA C 90 50.170 50.170 53.037 -2.867 19433 7623 1 16 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.269 -2.572 19433 7624 1 16 . 1 1 90 90 ASN H H 90 8.351 8.351 8.248 0.103 19433 7625 1 16 . 1 1 91 91 ALA N N 91 118.167 118.167 121.332 -3.165 19433 7626 1 16 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.868 -0.116 19433 7627 1 16 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.352 -2.097 19433 7628 1 16 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.869 -3.951 19433 7629 1 16 . 1 1 91 91 ALA H H 91 8.284 8.284 8.088 0.196 19433 7630 1 16 . 1 1 92 92 ASP N N 92 118.574 118.574 119.455 -0.881 19433 7631 1 16 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.926 0.006 19433 7632 1 16 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.895 -3.079 19433 7633 1 16 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.863 -3.693 19433 7634 1 16 . 1 1 92 92 ASP H H 92 8.215 8.215 8.065 0.150 19433 7635 1 16 . 1 1 93 93 VAL N N 93 121.604 121.604 123.715 -2.111 19433 7636 1 16 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.243 -0.174 19433 7637 1 16 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.379 -2.925 19433 7638 1 16 . 1 1 93 93 VAL CB C 93 28.988 28.988 33.073 -4.085 19433 7639 1 16 . 1 1 93 93 VAL H H 93 8.440 8.440 8.752 -0.312 19433 7640 1 16 . 1 1 94 94 GLN N N 94 125.344 125.344 128.577 -3.233 19433 7641 1 16 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.964 -0.203 19433 7642 1 16 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.427 -3.113 19433 7643 1 16 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.230 -1.831 19433 7644 1 16 . 1 1 94 94 GLN H H 94 8.958 8.958 8.637 0.321 19433 7645 1 16 . 1 1 95 95 VAL N N 95 119.370 119.370 117.561 1.809 19433 7646 1 16 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.601 0.460 19433 7647 1 16 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.615 -4.335 19433 7648 1 16 . 1 1 95 95 VAL CB C 95 30.926 30.926 35.666 -4.740 19433 7649 1 16 . 1 1 95 95 VAL H H 95 8.420 8.420 8.255 0.165 19433 7650 1 16 . 1 1 96 96 PHE N N 96 126.219 126.219 126.003 0.216 19433 7651 1 16 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.256 -0.224 19433 7652 1 16 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.286 -2.396 19433 7653 1 16 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.180 -3.677 19433 7654 1 16 . 1 1 96 96 PHE H H 96 9.314 9.314 9.291 0.023 19433 7655 1 16 . 1 1 97 97 ILE N N 97 123.424 123.424 116.511 6.913 19433 7656 1 16 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.081 0.733 19433 7657 1 16 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.569 -2.503 19433 7658 1 16 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.421 -3.144 19433 7659 1 16 . 1 1 97 97 ILE H H 97 7.613 7.613 7.323 0.290 19433 7660 1 16 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.277 -0.007 19433 7661 1 16 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.711 -2.713 19433 7662 1 16 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.260 -1.603 19433 7663 1 16 . 1 1 99 99 GLN N N 99 121.028 121.028 122.610 -1.582 19433 7664 1 16 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.384 0.071 19433 7665 1 16 . 1 1 99 99 GLN CA C 99 52.620 52.620 55.167 -2.547 19433 7666 1 16 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.978 -3.535 19433 7667 1 16 . 1 1 99 99 GLN H H 99 8.507 8.507 8.190 0.317 19433 7668 1 16 . 1 1 100 100 GLY N N 100 110.029 110.029 110.787 -0.758 19433 7669 1 16 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.123 -2.495 19433 7670 1 16 . 1 1 100 100 GLY H H 100 8.356 8.356 8.407 -0.051 19433 7671 1 16 . 1 1 101 101 GLU N N 101 120.385 120.385 123.704 -3.319 19433 7672 1 16 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.525 -0.234 19433 7673 1 16 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.736 -1.985 19433 7674 1 16 . 1 1 101 101 GLU CB C 101 27.830 27.830 27.671 0.159 19433 7675 1 16 . 1 1 101 101 GLU H H 101 8.378 8.378 8.642 -0.264 19433 7676 1 16 . 1 1 102 102 ILE N N 102 120.838 120.838 119.584 1.254 19433 7677 1 16 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.499 -0.333 19433 7678 1 16 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.867 -2.499 19433 7679 1 16 . 1 1 102 102 ILE CB C 102 36.713 36.713 37.844 -1.131 19433 7680 1 16 . 1 1 102 102 ILE H H 102 8.168 8.168 7.976 0.192 19433 7681 1 17 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.511 -0.280 19433 7682 1 17 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.626 -1.093 19433 7683 1 17 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.262 -3.619 19433 7684 1 17 . 1 1 3 3 GLN N N 3 118.180 118.180 118.800 -0.620 19433 7685 1 17 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.230 0.038 19433 7686 1 17 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.153 -2.714 19433 7687 1 17 . 1 1 3 3 GLN H H 3 8.579 8.579 8.468 0.111 19433 7688 1 17 . 1 1 4 4 ASP N N 4 120.328 120.328 116.252 4.076 19433 7689 1 17 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.716 -0.219 19433 7690 1 17 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.880 -2.115 19433 7691 1 17 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.777 -2.255 19433 7692 1 17 . 1 1 4 4 ASP H H 4 8.061 8.061 8.144 -0.083 19433 7693 1 17 . 1 1 5 5 GLY N N 5 109.114 109.114 108.470 0.644 19433 7694 1 17 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.448 -2.418 19433 7695 1 17 . 1 1 5 5 GLY H H 5 8.322 8.322 8.321 0.001 19433 7696 1 17 . 1 1 6 6 LYS N N 6 120.397 120.397 119.569 0.828 19433 7697 1 17 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.383 -0.086 19433 7698 1 17 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.520 -3.201 19433 7699 1 17 . 1 1 6 6 LYS CB C 6 30.441 30.441 34.424 -3.983 19433 7700 1 17 . 1 1 6 6 LYS H H 6 8.030 8.030 7.498 0.532 19433 7701 1 17 . 1 1 7 7 GLU N N 7 122.113 122.113 122.286 -0.173 19433 7702 1 17 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.473 -0.178 19433 7703 1 17 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.640 -2.353 19433 7704 1 17 . 1 1 7 7 GLU CB C 7 27.757 27.757 29.915 -2.158 19433 7705 1 17 . 1 1 7 7 GLU H H 7 8.464 8.464 8.571 -0.107 19433 7706 1 17 . 1 1 8 8 THR N N 8 114.459 114.459 113.130 1.329 19433 7707 1 17 . 1 1 8 8 THR HA H 8 4.543 4.543 4.620 -0.077 19433 7708 1 17 . 1 1 8 8 THR CA C 8 57.966 57.966 61.321 -3.355 19433 7709 1 17 . 1 1 8 8 THR CB C 8 68.123 68.123 69.396 -1.273 19433 7710 1 17 . 1 1 8 8 THR H H 8 7.984 7.984 7.537 0.447 19433 7711 1 17 . 1 1 9 9 THR N N 9 116.229 116.229 119.679 -3.450 19433 7712 1 17 . 1 1 9 9 THR HA H 9 4.584 4.584 4.532 0.052 19433 7713 1 17 . 1 1 9 9 THR CA C 9 58.575 58.575 61.784 -3.209 19433 7714 1 17 . 1 1 9 9 THR CB C 9 67.866 67.866 69.729 -1.863 19433 7715 1 17 . 1 1 9 9 THR H H 9 8.140 8.140 8.033 0.107 19433 7716 1 17 . 1 1 10 10 THR N N 10 118.509 118.509 114.918 3.591 19433 7717 1 17 . 1 1 10 10 THR HA H 10 4.563 4.563 4.402 0.161 19433 7718 1 17 . 1 1 10 10 THR CA C 10 59.364 59.364 61.594 -2.230 19433 7719 1 17 . 1 1 10 10 THR CB C 10 68.411 68.411 72.158 -3.747 19433 7720 1 17 . 1 1 10 10 THR H H 10 8.544 8.544 8.057 0.487 19433 7721 1 17 . 1 1 11 11 ILE N N 11 126.772 126.772 120.656 6.116 19433 7722 1 17 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.701 -0.676 19433 7723 1 17 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.154 -1.831 19433 7724 1 17 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.576 -5.236 19433 7725 1 17 . 1 1 11 11 ILE H H 11 8.595 8.595 8.602 -0.007 19433 7726 1 17 . 1 1 12 12 ARG N N 12 125.922 125.922 122.908 3.014 19433 7727 1 17 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.973 0.020 19433 7728 1 17 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.386 -3.496 19433 7729 1 17 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.769 -3.805 19433 7730 1 17 . 1 1 12 12 ARG H H 12 8.031 8.031 8.294 -0.263 19433 7731 1 17 . 1 1 13 13 LEU N N 13 126.771 126.771 124.966 1.805 19433 7732 1 17 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.787 0.156 19433 7733 1 17 . 1 1 13 13 LEU CA C 13 50.626 50.626 53.989 -3.363 19433 7734 1 17 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.897 -2.864 19433 7735 1 17 . 1 1 13 13 LEU H H 13 8.828 8.828 9.073 -0.245 19433 7736 1 17 . 1 1 14 14 ILE N N 14 123.438 123.438 121.925 1.513 19433 7737 1 17 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.713 -0.536 19433 7738 1 17 . 1 1 14 14 ILE CA C 14 58.514 58.514 59.702 -1.188 19433 7739 1 17 . 1 1 14 14 ILE CB C 14 38.667 38.667 41.399 -2.732 19433 7740 1 17 . 1 1 14 14 ILE H H 14 8.847 8.847 8.015 0.832 19433 7741 1 17 . 1 1 15 15 ASN N N 15 123.130 123.130 119.953 3.177 19433 7742 1 17 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.843 0.037 19433 7743 1 17 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.937 -3.269 19433 7744 1 17 . 1 1 15 15 ASN CB C 15 34.821 34.821 39.255 -4.434 19433 7745 1 17 . 1 1 15 15 ASN H H 15 8.446 8.446 8.918 -0.472 19433 7746 1 17 . 1 1 16 16 GLN N N 16 125.061 125.061 121.443 3.618 19433 7747 1 17 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.099 1.432 19433 7748 1 17 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.054 -2.894 19433 7749 1 17 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.348 0.556 19433 7750 1 17 . 1 1 16 16 GLN H H 16 9.063 9.063 8.326 0.737 19433 7751 1 17 . 1 1 17 17 THR N N 17 110.936 110.936 110.898 0.038 19433 7752 1 17 . 1 1 17 17 THR HA H 17 4.415 4.415 4.353 0.062 19433 7753 1 17 . 1 1 17 17 THR CA C 17 58.240 58.240 59.615 -1.375 19433 7754 1 17 . 1 1 17 17 THR CB C 17 67.913 67.913 70.037 -2.124 19433 7755 1 17 . 1 1 17 17 THR H H 17 7.765 7.765 7.747 0.018 19433 7756 1 17 . 1 1 18 18 TYR N N 18 112.380 112.380 117.691 -5.311 19433 7757 1 17 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.723 -0.368 19433 7758 1 17 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.340 -1.311 19433 7759 1 17 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.814 -3.247 19433 7760 1 17 . 1 1 18 18 TYR H H 18 6.950 6.950 7.980 -1.030 19433 7761 1 17 . 1 1 19 19 PHE N N 19 119.710 119.710 118.150 1.560 19433 7762 1 17 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.767 0.229 19433 7763 1 17 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.926 -2.916 19433 7764 1 17 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.194 -0.723 19433 7765 1 17 . 1 1 19 19 PHE H H 19 8.014 8.014 6.748 1.266 19433 7766 1 17 . 1 1 20 20 ASN N N 20 117.921 117.921 116.383 1.538 19433 7767 1 17 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.044 -0.355 19433 7768 1 17 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.114 -0.077 19433 7769 1 17 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.996 -5.690 19433 7770 1 17 . 1 1 20 20 ASN H H 20 8.724 8.724 8.420 0.304 19433 7771 1 17 . 1 1 21 21 VAL N N 21 115.311 115.311 116.007 -0.696 19433 7772 1 17 . 1 1 21 21 VAL HA H 21 4.884 4.884 5.067 -0.183 19433 7773 1 17 . 1 1 21 21 VAL CA C 21 57.501 57.501 60.405 -2.904 19433 7774 1 17 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.026 -3.181 19433 7775 1 17 . 1 1 21 21 VAL H H 21 8.186 8.186 8.113 0.073 19433 7776 1 17 . 1 1 22 22 LYS N N 22 119.772 119.772 122.440 -2.668 19433 7777 1 17 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.735 0.267 19433 7778 1 17 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.690 -4.157 19433 7779 1 17 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.095 1.170 19433 7780 1 17 . 1 1 22 22 LYS H H 22 9.331 9.331 8.311 1.020 19433 7781 1 17 . 1 1 23 23 ASN N N 23 116.781 116.781 114.368 2.413 19433 7782 1 17 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.786 -0.583 19433 7783 1 17 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.776 -1.843 19433 7784 1 17 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.781 -4.261 19433 7785 1 17 . 1 1 23 23 ASN H H 23 8.573 8.573 8.212 0.361 19433 7786 1 17 . 1 1 24 24 ILE N N 24 118.303 118.303 121.403 -3.100 19433 7787 1 17 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.407 0.337 19433 7788 1 17 . 1 1 24 24 ILE CA C 24 57.544 57.544 60.666 -3.122 19433 7789 1 17 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.552 -1.316 19433 7790 1 17 . 1 1 24 24 ILE H H 24 8.329 8.329 8.069 0.260 19433 7791 1 17 . 1 1 25 25 LYS N N 25 129.189 129.189 128.104 1.085 19433 7792 1 17 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.767 0.119 19433 7793 1 17 . 1 1 25 25 LYS CA C 25 52.761 52.761 56.926 -4.165 19433 7794 1 17 . 1 1 25 25 LYS CB C 25 31.647 31.647 34.137 -2.490 19433 7795 1 17 . 1 1 25 25 LYS H H 25 9.102 9.102 8.856 0.246 19433 7796 1 17 . 1 1 26 26 VAL N N 26 129.283 129.283 122.338 6.945 19433 7797 1 17 . 1 1 26 26 VAL HA H 26 4.966 4.966 5.134 -0.168 19433 7798 1 17 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.554 -2.455 19433 7799 1 17 . 1 1 26 26 VAL CB C 26 31.370 31.370 37.136 -5.766 19433 7800 1 17 . 1 1 26 26 VAL H H 26 9.057 9.057 8.638 0.419 19433 7801 1 17 . 1 1 27 27 THR N N 27 120.185 120.185 123.470 -3.285 19433 7802 1 17 . 1 1 27 27 THR HA H 27 5.542 5.542 5.066 0.476 19433 7803 1 17 . 1 1 27 27 THR CA C 27 56.977 56.977 61.882 -4.905 19433 7804 1 17 . 1 1 27 27 THR CB C 27 68.220 68.220 70.136 -1.916 19433 7805 1 17 . 1 1 27 27 THR H H 27 9.177 9.177 9.109 0.068 19433 7806 1 17 . 1 1 28 28 TRP N N 28 123.046 123.046 126.622 -3.576 19433 7807 1 17 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.488 -0.098 19433 7808 1 17 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.465 -1.848 19433 7809 1 17 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.276 -0.314 19433 7810 1 17 . 1 1 28 28 TRP H H 28 8.787 8.787 7.963 0.824 19433 7811 1 17 . 1 1 29 29 ASN N N 29 116.792 116.792 117.436 -0.644 19433 7812 1 17 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.795 -1.379 19433 7813 1 17 . 1 1 29 29 ASN CA C 29 51.265 51.265 53.220 -1.955 19433 7814 1 17 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.373 -7.194 19433 7815 1 17 . 1 1 29 29 ASN H H 29 8.193 8.193 7.494 0.699 19433 7816 1 17 . 1 1 30 30 ASP N N 30 118.710 118.710 118.259 0.451 19433 7817 1 17 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.613 -0.096 19433 7818 1 17 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.779 -3.317 19433 7819 1 17 . 1 1 30 30 ASP CB C 30 36.498 36.498 41.075 -4.577 19433 7820 1 17 . 1 1 30 30 ASP H H 30 8.937 8.937 8.533 0.404 19433 7821 1 17 . 1 1 31 31 GLY N N 31 106.542 106.542 106.495 0.047 19433 7822 1 17 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.058 -1.592 19433 7823 1 17 . 1 1 31 31 GLY H H 31 7.594 7.594 7.972 -0.378 19433 7824 1 17 . 1 1 32 32 LYS N N 32 121.904 121.904 120.067 1.837 19433 7825 1 17 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.506 -0.617 19433 7826 1 17 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.677 -1.852 19433 7827 1 17 . 1 1 32 32 LYS CB C 32 28.130 28.130 35.170 -7.040 19433 7828 1 17 . 1 1 32 32 LYS H H 32 7.510 7.510 7.720 -0.210 19433 7829 1 17 . 1 1 33 33 GLU N N 33 119.124 119.124 120.637 -1.513 19433 7830 1 17 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.523 0.757 19433 7831 1 17 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.282 -1.951 19433 7832 1 17 . 1 1 33 33 GLU CB C 33 31.709 31.709 32.815 -1.105 19433 7833 1 17 . 1 1 33 33 GLU H H 33 7.843 7.843 7.964 -0.121 19433 7834 1 17 . 1 1 34 34 GLN N N 34 123.230 123.230 116.695 6.535 19433 7835 1 17 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.624 -0.201 19433 7836 1 17 . 1 1 34 34 GLN CA C 34 52.297 52.297 55.193 -2.896 19433 7837 1 17 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.751 -2.509 19433 7838 1 17 . 1 1 34 34 GLN H H 34 9.114 9.114 8.650 0.464 19433 7839 1 17 . 1 1 35 35 THR N N 35 119.194 119.194 115.841 3.353 19433 7840 1 17 . 1 1 35 35 THR HA H 35 5.241 5.241 5.134 0.107 19433 7841 1 17 . 1 1 35 35 THR CA C 35 58.075 58.075 59.336 -1.261 19433 7842 1 17 . 1 1 35 35 THR CB C 35 67.936 67.936 70.557 -2.621 19433 7843 1 17 . 1 1 35 35 THR H H 35 8.397 8.397 7.969 0.428 19433 7844 1 17 . 1 1 36 36 VAL N N 36 126.317 126.317 124.985 1.332 19433 7845 1 17 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.227 -0.061 19433 7846 1 17 . 1 1 36 36 VAL CA C 36 58.296 58.296 60.645 -2.349 19433 7847 1 17 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.852 -1.067 19433 7848 1 17 . 1 1 36 36 VAL H H 36 8.976 8.976 7.926 1.050 19433 7849 1 17 . 1 1 37 37 ASN N N 37 126.536 126.536 119.828 6.708 19433 7850 1 17 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.528 -0.167 19433 7851 1 17 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.436 -0.342 19433 7852 1 17 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.967 -3.213 19433 7853 1 17 . 1 1 37 37 ASN H H 37 8.974 8.974 8.654 0.320 19433 7854 1 17 . 1 1 38 38 THR N N 38 112.460 112.460 112.403 0.057 19433 7855 1 17 . 1 1 38 38 THR HA H 38 4.850 4.850 4.729 0.121 19433 7856 1 17 . 1 1 38 38 THR CA C 38 58.536 58.536 61.466 -2.930 19433 7857 1 17 . 1 1 38 38 THR CB C 38 69.085 69.085 71.579 -2.494 19433 7858 1 17 . 1 1 38 38 THR H H 38 7.762 7.762 7.646 0.116 19433 7859 1 17 . 1 1 39 39 LEU N N 39 126.316 126.316 124.019 2.297 19433 7860 1 17 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.683 -0.140 19433 7861 1 17 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.832 -2.047 19433 7862 1 17 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.627 -3.286 19433 7863 1 17 . 1 1 39 39 LEU H H 39 8.572 8.572 8.929 -0.357 19433 7864 1 17 . 1 1 40 40 GLY N N 40 116.669 116.669 111.463 5.206 19433 7865 1 17 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.317 -2.052 19433 7866 1 17 . 1 1 40 40 GLY H H 40 9.303 9.303 7.954 1.349 19433 7867 1 17 . 1 1 41 41 SER N N 41 113.384 113.384 116.516 -3.132 19433 7868 1 17 . 1 1 41 41 SER HA H 41 3.612 3.612 4.153 -0.541 19433 7869 1 17 . 1 1 41 41 SER CA C 41 56.211 56.211 59.236 -3.025 19433 7870 1 17 . 1 1 41 41 SER CB C 41 60.482 60.482 62.952 -2.470 19433 7871 1 17 . 1 1 41 41 SER H H 41 7.883 7.883 8.435 -0.552 19433 7872 1 17 . 1 1 42 42 HIS N N 42 120.045 120.045 119.941 0.104 19433 7873 1 17 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.173 0.259 19433 7874 1 17 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.604 -3.600 19433 7875 1 17 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.344 -4.899 19433 7876 1 17 . 1 1 42 42 HIS H H 42 7.882 7.882 8.669 -0.787 19433 7877 1 17 . 1 1 43 43 ASP N N 43 119.308 119.308 119.085 0.223 19433 7878 1 17 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.696 0.341 19433 7879 1 17 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.352 -5.274 19433 7880 1 17 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.379 -1.670 19433 7881 1 17 . 1 1 43 43 ASP H H 43 7.906 7.906 7.979 -0.073 19433 7882 1 17 . 1 1 44 44 SER N N 44 111.544 111.544 113.534 -1.990 19433 7883 1 17 . 1 1 44 44 SER HA H 44 5.617 5.617 5.360 0.257 19433 7884 1 17 . 1 1 44 44 SER CA C 44 53.597 53.597 56.994 -3.397 19433 7885 1 17 . 1 1 44 44 SER CB C 44 65.207 65.207 66.864 -1.657 19433 7886 1 17 . 1 1 44 44 SER H H 44 8.396 8.396 8.404 -0.008 19433 7887 1 17 . 1 1 45 45 ILE N N 45 119.898 119.898 120.861 -0.963 19433 7888 1 17 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.665 -0.155 19433 7889 1 17 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.516 -3.476 19433 7890 1 17 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.314 -3.068 19433 7891 1 17 . 1 1 45 45 ILE H H 45 8.726 8.726 9.146 -0.420 19433 7892 1 17 . 1 1 46 46 ASP N N 46 123.866 123.866 127.386 -3.520 19433 7893 1 17 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.548 -0.027 19433 7894 1 17 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.791 -3.418 19433 7895 1 17 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.379 -1.567 19433 7896 1 17 . 1 1 46 46 ASP H H 46 7.891 7.891 8.399 -0.508 19433 7897 1 17 . 1 1 47 47 PHE N N 47 116.649 116.649 119.364 -2.715 19433 7898 1 17 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.937 -0.164 19433 7899 1 17 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.093 -3.006 19433 7900 1 17 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.655 -3.915 19433 7901 1 17 . 1 1 47 47 PHE H H 47 8.654 8.654 8.116 0.538 19433 7902 1 17 . 1 1 48 48 SER N N 48 114.033 114.033 115.973 -1.940 19433 7903 1 17 . 1 1 48 48 SER HA H 48 4.729 4.729 4.327 0.402 19433 7904 1 17 . 1 1 48 48 SER CA C 48 49.403 49.403 57.536 -8.133 19433 7905 1 17 . 1 1 48 48 SER CB C 48 61.957 61.957 63.959 -2.002 19433 7906 1 17 . 1 1 48 48 SER H H 48 8.667 8.667 8.413 0.254 19433 7907 1 17 . 1 1 49 49 SER N N 49 119.169 119.169 115.343 3.826 19433 7908 1 17 . 1 1 49 49 SER HA H 49 4.357 4.357 3.651 0.706 19433 7909 1 17 . 1 1 49 49 SER CA C 49 55.003 55.003 56.410 -1.407 19433 7910 1 17 . 1 1 49 49 SER CB C 49 61.708 61.708 64.793 -3.085 19433 7911 1 17 . 1 1 49 49 SER H H 49 8.644 8.644 8.001 0.643 19433 7912 1 17 . 1 1 50 50 ASP N N 50 120.389 120.389 128.035 -7.646 19433 7913 1 17 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.639 -0.194 19433 7914 1 17 . 1 1 50 50 ASP CA C 50 52.432 52.432 53.622 -1.190 19433 7915 1 17 . 1 1 50 50 ASP CB C 50 38.122 38.122 39.864 -1.742 19433 7916 1 17 . 1 1 50 50 ASP H H 50 8.743 8.743 9.229 -0.486 19433 7917 1 17 . 1 1 51 51 ALA N N 51 120.149 120.149 121.425 -1.276 19433 7918 1 17 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.634 -0.008 19433 7919 1 17 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.335 -2.633 19433 7920 1 17 . 1 1 51 51 ALA CB C 51 19.196 19.196 22.438 -3.242 19433 7921 1 17 . 1 1 51 51 ALA H H 51 8.178 8.178 7.846 0.332 19433 7922 1 17 . 1 1 52 52 GLY N N 52 106.575 106.575 104.594 1.981 19433 7923 1 17 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.193 -2.326 19433 7924 1 17 . 1 1 52 52 GLY H H 52 8.465 8.465 8.802 -0.337 19433 7925 1 17 . 1 1 53 53 SER N N 53 111.247 111.247 113.692 -2.445 19433 7926 1 17 . 1 1 53 53 SER HA H 53 4.371 4.371 4.575 -0.204 19433 7927 1 17 . 1 1 53 53 SER CA C 53 55.270 55.270 57.136 -1.866 19433 7928 1 17 . 1 1 53 53 SER CB C 53 61.515 61.515 65.990 -4.475 19433 7929 1 17 . 1 1 53 53 SER H H 53 7.606 7.606 7.534 0.072 19433 7930 1 17 . 1 1 54 54 VAL N N 54 124.481 124.481 121.828 2.653 19433 7931 1 17 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.604 -0.298 19433 7932 1 17 . 1 1 54 54 VAL CA C 54 59.775 59.775 62.446 -2.671 19433 7933 1 17 . 1 1 54 54 VAL CB C 54 29.693 29.693 33.369 -3.676 19433 7934 1 17 . 1 1 54 54 VAL H H 54 8.587 8.587 8.777 -0.190 19433 7935 1 17 . 1 1 55 55 TYR N N 55 122.616 122.616 123.178 -0.562 19433 7936 1 17 . 1 1 55 55 TYR HA H 55 5.181 5.181 4.742 0.439 19433 7937 1 17 . 1 1 55 55 TYR CA C 55 53.682 53.682 54.770 -1.088 19433 7938 1 17 . 1 1 55 55 TYR CB C 55 36.877 36.877 38.561 -1.684 19433 7939 1 17 . 1 1 55 55 TYR H H 55 8.586 8.586 8.692 -0.106 19433 7940 1 17 . 1 1 56 56 LYS N N 56 121.197 121.197 117.919 3.278 19433 7941 1 17 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.877 -0.121 19433 7942 1 17 . 1 1 56 56 LYS CA C 56 53.406 53.406 54.991 -1.585 19433 7943 1 17 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.027 -3.554 19433 7944 1 17 . 1 1 56 56 LYS H H 56 7.276 7.276 7.650 -0.374 19433 7945 1 17 . 1 1 57 57 MET N N 57 122.040 122.040 124.026 -1.986 19433 7946 1 17 . 1 1 57 57 MET HA H 57 5.440 5.440 5.361 0.079 19433 7947 1 17 . 1 1 57 57 MET CA C 57 52.893 52.893 55.405 -2.512 19433 7948 1 17 . 1 1 57 57 MET CB C 57 35.646 35.646 36.704 -1.058 19433 7949 1 17 . 1 1 57 57 MET H H 57 8.637 8.637 9.090 -0.453 19433 7950 1 17 . 1 1 58 58 ASP N N 58 125.086 125.086 127.480 -2.394 19433 7951 1 17 . 1 1 58 58 ASP HA H 58 5.740 5.740 4.926 0.814 19433 7952 1 17 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.112 -2.329 19433 7953 1 17 . 1 1 58 58 ASP CB C 58 42.339 42.339 42.948 -0.609 19433 7954 1 17 . 1 1 58 58 ASP H H 58 9.367 9.367 9.070 0.297 19433 7955 1 17 . 1 1 59 59 VAL N N 59 120.817 120.817 121.565 -0.748 19433 7956 1 17 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.950 0.108 19433 7957 1 17 . 1 1 59 59 VAL CA C 59 58.103 58.103 59.835 -1.732 19433 7958 1 17 . 1 1 59 59 VAL CB C 59 33.782 33.782 34.322 -0.540 19433 7959 1 17 . 1 1 59 59 VAL H H 59 8.890 8.890 8.421 0.469 19433 7960 1 17 . 1 1 60 60 THR N N 60 120.028 120.028 119.363 0.665 19433 7961 1 17 . 1 1 60 60 THR HA H 60 5.125 5.125 4.912 0.213 19433 7962 1 17 . 1 1 60 60 THR CA C 60 56.923 56.923 61.371 -4.448 19433 7963 1 17 . 1 1 60 60 THR CB C 60 68.946 68.946 70.062 -1.116 19433 7964 1 17 . 1 1 60 60 THR H H 60 8.578 8.578 8.450 0.128 19433 7965 1 17 . 1 1 61 61 GLY N N 61 108.812 108.812 113.115 -4.303 19433 7966 1 17 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.204 -1.010 19433 7967 1 17 . 1 1 61 61 GLY H H 61 7.330 7.330 7.538 -0.208 19433 7968 1 17 . 1 1 62 62 THR N N 62 111.342 111.342 115.664 -4.322 19433 7969 1 17 . 1 1 62 62 THR HA H 62 5.333 5.333 5.339 -0.006 19433 7970 1 17 . 1 1 62 62 THR CA C 62 57.514 57.514 60.498 -2.984 19433 7971 1 17 . 1 1 62 62 THR CB C 62 69.348 69.348 71.855 -2.507 19433 7972 1 17 . 1 1 62 62 THR H H 62 8.013 8.013 8.124 -0.111 19433 7973 1 17 . 1 1 63 63 THR N N 63 115.003 115.003 115.800 -0.797 19433 7974 1 17 . 1 1 63 63 THR HA H 63 4.751 4.751 4.726 0.025 19433 7975 1 17 . 1 1 63 63 THR CA C 63 58.700 58.700 60.548 -1.848 19433 7976 1 17 . 1 1 63 63 THR CB C 63 68.654 68.654 70.267 -1.613 19433 7977 1 17 . 1 1 63 63 THR H H 63 9.432 9.432 8.813 0.619 19433 7978 1 17 . 1 1 64 64 GLN N N 64 120.671 120.671 121.207 -0.536 19433 7979 1 17 . 1 1 64 64 GLN HA H 64 3.842 3.842 3.999 -0.157 19433 7980 1 17 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.236 -2.963 19433 7981 1 17 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.683 -2.597 19433 7982 1 17 . 1 1 64 64 GLN H H 64 8.037 8.037 8.759 -0.722 19433 7983 1 17 . 1 1 65 65 SER N N 65 110.096 110.096 110.973 -0.877 19433 7984 1 17 . 1 1 65 65 SER HA H 65 4.351 4.351 4.317 0.034 19433 7985 1 17 . 1 1 65 65 SER CA C 65 55.577 55.577 57.966 -2.389 19433 7986 1 17 . 1 1 65 65 SER CB C 65 60.350 60.350 63.070 -2.720 19433 7987 1 17 . 1 1 65 65 SER H H 65 7.670 7.670 7.863 -0.193 19433 7988 1 17 . 1 1 66 66 GLY N N 66 109.466 109.466 109.457 0.009 19433 7989 1 17 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.430 -2.780 19433 7990 1 17 . 1 1 66 66 GLY H H 66 7.810 7.810 7.829 -0.019 19433 7991 1 17 . 1 1 67 67 GLU N N 67 121.149 121.149 121.119 0.030 19433 7992 1 17 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.421 -0.118 19433 7993 1 17 . 1 1 67 67 GLU CA C 67 53.919 53.919 55.727 -1.808 19433 7994 1 17 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.249 -4.219 19433 7995 1 17 . 1 1 67 67 GLU H H 67 7.518 7.518 7.958 -0.440 19433 7996 1 17 . 1 1 68 68 LYS N N 68 124.553 124.553 123.077 1.476 19433 7997 1 17 . 1 1 68 68 LYS HA H 68 4.886 4.886 5.106 -0.220 19433 7998 1 17 . 1 1 68 68 LYS CA C 68 53.002 53.002 54.830 -1.828 19433 7999 1 17 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.038 -2.539 19433 8000 1 17 . 1 1 68 68 LYS H H 68 8.631 8.631 8.370 0.261 19433 8001 1 17 . 1 1 69 69 PHE N N 69 119.363 119.363 121.604 -2.241 19433 8002 1 17 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.051 0.111 19433 8003 1 17 . 1 1 69 69 PHE CA C 69 52.610 52.610 56.278 -3.668 19433 8004 1 17 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.288 -1.757 19433 8005 1 17 . 1 1 69 69 PHE H H 69 8.180 8.180 8.590 -0.410 19433 8006 1 17 . 1 1 70 70 THR N N 70 113.468 113.468 113.243 0.225 19433 8007 1 17 . 1 1 70 70 THR HA H 70 5.331 5.331 4.896 0.435 19433 8008 1 17 . 1 1 70 70 THR CA C 70 57.694 57.694 59.796 -2.102 19433 8009 1 17 . 1 1 70 70 THR CB C 70 69.969 69.969 72.450 -2.481 19433 8010 1 17 . 1 1 70 70 THR H H 70 8.623 8.623 8.246 0.377 19433 8011 1 17 . 1 1 71 71 GLY N N 71 110.469 110.469 110.177 0.292 19433 8012 1 17 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.270 -1.512 19433 8013 1 17 . 1 1 71 71 GLY H H 71 8.955 8.955 7.969 0.986 19433 8014 1 17 . 1 1 72 72 HIS N N 72 121.565 121.565 117.304 4.261 19433 8015 1 17 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.234 1.052 19433 8016 1 17 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.237 -4.317 19433 8017 1 17 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.592 1.817 19433 8018 1 17 . 1 1 72 72 HIS H H 72 8.162 8.162 8.125 0.037 19433 8019 1 17 . 1 1 73 73 PHE N N 73 122.114 122.114 120.682 1.432 19433 8020 1 17 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.559 0.435 19433 8021 1 17 . 1 1 73 73 PHE CA C 73 54.002 54.002 58.434 -4.432 19433 8022 1 17 . 1 1 73 73 PHE CB C 73 40.278 40.278 40.096 0.182 19433 8023 1 17 . 1 1 73 73 PHE H H 73 9.117 9.117 8.516 0.601 19433 8024 1 17 . 1 1 74 74 LYS N N 74 122.834 122.834 120.611 2.223 19433 8025 1 17 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.714 0.162 19433 8026 1 17 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.561 -2.760 19433 8027 1 17 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.934 -4.193 19433 8028 1 17 . 1 1 74 74 LYS H H 74 8.889 8.889 8.191 0.698 19433 8029 1 17 . 1 1 75 75 GLY N N 75 109.821 109.821 108.731 1.090 19433 8030 1 17 . 1 1 75 75 GLY CA C 75 44.235 44.235 46.027 -1.792 19433 8031 1 17 . 1 1 75 75 GLY H H 75 8.418 8.418 8.062 0.356 19433 8032 1 17 . 1 1 76 76 LEU N N 76 119.557 119.557 118.943 0.614 19433 8033 1 17 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.470 -0.130 19433 8034 1 17 . 1 1 76 76 LEU CA C 76 52.374 52.374 55.422 -3.048 19433 8035 1 17 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.992 -3.333 19433 8036 1 17 . 1 1 76 76 LEU H H 76 7.893 7.893 7.829 0.064 19433 8037 1 17 . 1 1 77 77 VAL N N 77 118.411 118.411 118.322 0.089 19433 8038 1 17 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.375 0.018 19433 8039 1 17 . 1 1 77 77 VAL CA C 77 58.445 58.445 61.178 -2.733 19433 8040 1 17 . 1 1 77 77 VAL CB C 77 32.212 32.212 35.007 -2.795 19433 8041 1 17 . 1 1 77 77 VAL H H 77 8.583 8.583 8.201 0.382 19433 8042 1 17 . 1 1 78 78 GLY N N 78 111.284 111.284 109.780 1.504 19433 8043 1 17 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.360 -2.362 19433 8044 1 17 . 1 1 78 78 GLY H H 78 8.218 8.218 8.086 0.132 19433 8045 1 17 . 1 1 79 79 LYS N N 79 120.895 120.895 121.088 -0.193 19433 8046 1 17 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.338 -0.061 19433 8047 1 17 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.330 -1.879 19433 8048 1 17 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.495 -2.218 19433 8049 1 17 . 1 1 79 79 LYS H H 79 8.347 8.347 8.489 -0.142 19433 8050 1 17 . 1 1 80 80 ASP N N 80 119.681 119.681 116.140 3.541 19433 8051 1 17 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.360 -0.553 19433 8052 1 17 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.297 -1.063 19433 8053 1 17 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.359 -5.335 19433 8054 1 17 . 1 1 80 80 ASP H H 80 7.993 7.993 7.544 0.449 19433 8055 1 17 . 1 1 81 81 THR N N 81 118.659 118.659 114.172 4.487 19433 8056 1 17 . 1 1 81 81 THR HA H 81 4.076 4.076 4.620 -0.544 19433 8057 1 17 . 1 1 81 81 THR CA C 81 60.371 60.371 61.491 -1.120 19433 8058 1 17 . 1 1 81 81 THR CB C 81 67.694 67.694 71.770 -4.077 19433 8059 1 17 . 1 1 81 81 THR H H 81 8.002 8.002 7.976 0.026 19433 8060 1 17 . 1 1 82 82 ARG N N 82 127.944 127.944 123.218 4.726 19433 8061 1 17 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.464 -0.867 19433 8062 1 17 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.397 -2.226 19433 8063 1 17 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.673 -4.065 19433 8064 1 17 . 1 1 82 82 ARG H H 82 8.183 8.183 8.396 -0.213 19433 8065 1 17 . 1 1 83 83 VAL N N 83 121.617 121.617 118.989 2.628 19433 8066 1 17 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.116 -0.052 19433 8067 1 17 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.801 -4.127 19433 8068 1 17 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.964 -4.649 19433 8069 1 17 . 1 1 83 83 VAL H H 83 8.639 8.639 8.382 0.257 19433 8070 1 17 . 1 1 84 84 PHE N N 84 124.702 124.702 125.686 -0.984 19433 8071 1 17 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.821 0.146 19433 8072 1 17 . 1 1 84 84 PHE CA C 84 53.799 53.799 55.229 -1.430 19433 8073 1 17 . 1 1 84 84 PHE CB C 84 38.688 38.688 41.153 -2.465 19433 8074 1 17 . 1 1 84 84 PHE H H 84 9.198 9.198 8.966 0.233 19433 8075 1 17 . 1 1 85 85 ILE N N 85 123.027 123.027 122.117 0.910 19433 8076 1 17 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.568 -0.121 19433 8077 1 17 . 1 1 85 85 ILE CA C 85 57.913 57.913 60.439 -2.526 19433 8078 1 17 . 1 1 85 85 ILE CB C 85 35.870 35.870 39.314 -3.444 19433 8079 1 17 . 1 1 85 85 ILE H H 85 8.650 8.650 8.382 0.268 19433 8080 1 17 . 1 1 86 86 GLU N N 86 124.137 124.137 123.909 0.228 19433 8081 1 17 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.720 -0.145 19433 8082 1 17 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.285 -2.754 19433 8083 1 17 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.644 -1.117 19433 8084 1 17 . 1 1 86 86 GLU H H 86 8.754 8.754 7.841 0.913 19433 8085 1 17 . 1 1 87 87 LEU N N 87 120.087 120.087 120.498 -0.411 19433 8086 1 17 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.019 -0.158 19433 8087 1 17 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.091 -2.961 19433 8088 1 17 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.332 -2.072 19433 8089 1 17 . 1 1 87 87 LEU H H 87 8.394 8.394 8.487 -0.093 19433 8090 1 17 . 1 1 88 88 ASP N N 88 123.072 123.072 120.263 2.809 19433 8091 1 17 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.704 -0.045 19433 8092 1 17 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.819 -3.600 19433 8093 1 17 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.178 -4.071 19433 8094 1 17 . 1 1 88 88 ASP H H 88 8.770 8.770 8.244 0.526 19433 8095 1 17 . 1 1 89 89 GLU N N 89 117.437 117.437 119.982 -2.545 19433 8096 1 17 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.018 0.058 19433 8097 1 17 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.428 -3.441 19433 8098 1 17 . 1 1 89 89 GLU CB C 89 26.162 26.162 29.270 -3.108 19433 8099 1 17 . 1 1 89 89 GLU H H 89 9.033 9.033 8.866 0.167 19433 8100 1 17 . 1 1 90 90 ASN N N 90 118.824 118.824 117.609 1.215 19433 8101 1 17 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.675 0.111 19433 8102 1 17 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.842 -2.672 19433 8103 1 17 . 1 1 90 90 ASN CB C 90 36.696 36.696 38.112 -1.416 19433 8104 1 17 . 1 1 90 90 ASN H H 90 8.351 8.351 8.236 0.115 19433 8105 1 17 . 1 1 91 91 ALA N N 91 118.167 118.167 120.368 -2.201 19433 8106 1 17 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.851 -0.099 19433 8107 1 17 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.124 -1.869 19433 8108 1 17 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.301 -3.383 19433 8109 1 17 . 1 1 91 91 ALA H H 91 8.284 8.284 7.610 0.674 19433 8110 1 17 . 1 1 92 92 ASP N N 92 118.574 118.574 117.606 0.968 19433 8111 1 17 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.762 0.170 19433 8112 1 17 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.452 -3.636 19433 8113 1 17 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.241 -3.071 19433 8114 1 17 . 1 1 92 92 ASP H H 92 8.215 8.215 7.693 0.522 19433 8115 1 17 . 1 1 93 93 VAL N N 93 121.604 121.604 120.589 1.015 19433 8116 1 17 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.334 -0.265 19433 8117 1 17 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.223 -1.769 19433 8118 1 17 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.578 -2.590 19433 8119 1 17 . 1 1 93 93 VAL H H 93 8.440 8.440 8.552 -0.112 19433 8120 1 17 . 1 1 94 94 GLN N N 94 125.344 125.344 125.932 -0.588 19433 8121 1 17 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.849 -0.088 19433 8122 1 17 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.826 -2.512 19433 8123 1 17 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.936 -2.537 19433 8124 1 17 . 1 1 94 94 GLN H H 94 8.958 8.958 8.056 0.902 19433 8125 1 17 . 1 1 95 95 VAL N N 95 119.370 119.370 119.560 -0.190 19433 8126 1 17 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.876 0.185 19433 8127 1 17 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.386 -4.106 19433 8128 1 17 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.938 -4.012 19433 8129 1 17 . 1 1 95 95 VAL H H 95 8.420 8.420 8.469 -0.049 19433 8130 1 17 . 1 1 96 96 PHE N N 96 126.219 126.219 127.583 -1.364 19433 8131 1 17 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.098 -0.066 19433 8132 1 17 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.053 -2.163 19433 8133 1 17 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.765 -3.262 19433 8134 1 17 . 1 1 96 96 PHE H H 96 9.314 9.314 9.243 0.071 19433 8135 1 17 . 1 1 97 97 ILE N N 97 123.424 123.424 115.890 7.534 19433 8136 1 17 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.105 0.709 19433 8137 1 17 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.725 -1.659 19433 8138 1 17 . 1 1 97 97 ILE CB C 97 37.277 37.277 41.084 -3.807 19433 8139 1 17 . 1 1 97 97 ILE H H 97 7.613 7.613 7.293 0.320 19433 8140 1 17 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.487 -0.217 19433 8141 1 17 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.878 -2.880 19433 8142 1 17 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.539 -1.882 19433 8143 1 17 . 1 1 99 99 GLN N N 99 121.028 121.028 122.445 -1.417 19433 8144 1 17 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.377 0.078 19433 8145 1 17 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.668 -2.048 19433 8146 1 17 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.573 -3.130 19433 8147 1 17 . 1 1 99 99 GLN H H 99 8.507 8.507 8.175 0.332 19433 8148 1 17 . 1 1 100 100 GLY N N 100 110.029 110.029 110.031 -0.002 19433 8149 1 17 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.250 -2.622 19433 8150 1 17 . 1 1 100 100 GLY H H 100 8.356 8.356 8.584 -0.228 19433 8151 1 17 . 1 1 101 101 GLU N N 101 120.385 120.385 122.191 -1.806 19433 8152 1 17 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.554 -0.263 19433 8153 1 17 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.769 -2.018 19433 8154 1 17 . 1 1 101 101 GLU CB C 101 27.830 27.830 29.576 -1.746 19433 8155 1 17 . 1 1 101 101 GLU H H 101 8.378 8.378 8.262 0.116 19433 8156 1 17 . 1 1 102 102 ILE N N 102 120.838 120.838 125.099 -4.261 19433 8157 1 17 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.323 -0.157 19433 8158 1 17 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.086 -1.718 19433 8159 1 17 . 1 1 102 102 ILE CB C 102 36.713 36.713 39.014 -2.301 19433 8160 1 17 . 1 1 102 102 ILE H H 102 8.168 8.168 8.274 -0.106 19433 8161 1 18 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.749 -0.518 19433 8162 1 18 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.634 -1.101 19433 8163 1 18 . 1 1 2 2 ALA CB C 2 16.644 16.644 19.162 -2.518 19433 8164 1 18 . 1 1 3 3 GLN N N 3 118.180 118.180 120.500 -2.320 19433 8165 1 18 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.083 0.185 19433 8166 1 18 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.087 -2.648 19433 8167 1 18 . 1 1 3 3 GLN H H 3 8.579 8.579 8.532 0.047 19433 8168 1 18 . 1 1 4 4 ASP N N 4 120.328 120.328 117.366 2.962 19433 8169 1 18 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.751 -0.254 19433 8170 1 18 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.251 -2.486 19433 8171 1 18 . 1 1 4 4 ASP CB C 4 38.522 38.522 40.296 -1.774 19433 8172 1 18 . 1 1 4 4 ASP H H 4 8.061 8.061 7.934 0.127 19433 8173 1 18 . 1 1 5 5 GLY N N 5 109.114 109.114 109.525 -0.411 19433 8174 1 18 . 1 1 5 5 GLY CA C 5 43.030 43.030 44.729 -1.699 19433 8175 1 18 . 1 1 5 5 GLY H H 5 8.322 8.322 8.211 0.111 19433 8176 1 18 . 1 1 6 6 LYS N N 6 120.397 120.397 120.456 -0.059 19433 8177 1 18 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.512 -0.215 19433 8178 1 18 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.400 -3.081 19433 8179 1 18 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.245 -1.804 19433 8180 1 18 . 1 1 6 6 LYS H H 6 8.030 8.030 8.362 -0.332 19433 8181 1 18 . 1 1 7 7 GLU N N 7 122.113 122.113 120.225 1.888 19433 8182 1 18 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.615 -0.320 19433 8183 1 18 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.730 -2.443 19433 8184 1 18 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.895 -3.138 19433 8185 1 18 . 1 1 7 7 GLU H H 7 8.464 8.464 8.444 0.020 19433 8186 1 18 . 1 1 8 8 THR N N 8 114.459 114.459 112.368 2.091 19433 8187 1 18 . 1 1 8 8 THR HA H 8 4.543 4.543 4.584 -0.041 19433 8188 1 18 . 1 1 8 8 THR CA C 8 57.966 57.966 60.684 -2.718 19433 8189 1 18 . 1 1 8 8 THR CB C 8 68.123 68.123 69.948 -1.825 19433 8190 1 18 . 1 1 8 8 THR H H 8 7.984 7.984 7.894 0.090 19433 8191 1 18 . 1 1 9 9 THR N N 9 116.229 116.229 111.444 4.785 19433 8192 1 18 . 1 1 9 9 THR HA H 9 4.584 4.584 4.769 -0.185 19433 8193 1 18 . 1 1 9 9 THR CA C 9 58.575 58.575 60.279 -1.704 19433 8194 1 18 . 1 1 9 9 THR CB C 9 67.866 67.866 71.695 -3.829 19433 8195 1 18 . 1 1 9 9 THR H H 9 8.140 8.140 7.955 0.185 19433 8196 1 18 . 1 1 10 10 THR N N 10 118.509 118.509 117.450 1.059 19433 8197 1 18 . 1 1 10 10 THR HA H 10 4.563 4.563 4.712 -0.149 19433 8198 1 18 . 1 1 10 10 THR CA C 10 59.364 59.364 61.516 -2.152 19433 8199 1 18 . 1 1 10 10 THR CB C 10 68.411 68.411 71.600 -3.189 19433 8200 1 18 . 1 1 10 10 THR H H 10 8.544 8.544 8.300 0.244 19433 8201 1 18 . 1 1 11 11 ILE N N 11 126.772 126.772 122.678 4.094 19433 8202 1 18 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.660 -0.635 19433 8203 1 18 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.190 -1.867 19433 8204 1 18 . 1 1 11 11 ILE CB C 11 36.340 36.340 40.085 -3.745 19433 8205 1 18 . 1 1 11 11 ILE H H 11 8.595 8.595 8.583 0.012 19433 8206 1 18 . 1 1 12 12 ARG N N 12 125.922 125.922 123.597 2.325 19433 8207 1 18 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.758 0.235 19433 8208 1 18 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.771 -3.881 19433 8209 1 18 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.755 -2.791 19433 8210 1 18 . 1 1 12 12 ARG H H 12 8.031 8.031 8.127 -0.096 19433 8211 1 18 . 1 1 13 13 LEU N N 13 126.771 126.771 126.271 0.500 19433 8212 1 18 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.519 0.424 19433 8213 1 18 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.741 -4.115 19433 8214 1 18 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.095 -1.062 19433 8215 1 18 . 1 1 13 13 LEU H H 13 8.828 8.828 8.968 -0.140 19433 8216 1 18 . 1 1 14 14 ILE N N 14 123.438 123.438 121.659 1.779 19433 8217 1 18 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.545 -0.368 19433 8218 1 18 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.540 -2.026 19433 8219 1 18 . 1 1 14 14 ILE CB C 14 38.667 38.667 41.213 -2.546 19433 8220 1 18 . 1 1 14 14 ILE H H 14 8.847 8.847 8.583 0.264 19433 8221 1 18 . 1 1 15 15 ASN N N 15 123.130 123.130 120.981 2.149 19433 8222 1 18 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.987 -0.107 19433 8223 1 18 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.620 -2.952 19433 8224 1 18 . 1 1 15 15 ASN CB C 15 34.821 34.821 39.482 -4.661 19433 8225 1 18 . 1 1 15 15 ASN H H 15 8.446 8.446 9.166 -0.720 19433 8226 1 18 . 1 1 16 16 GLN N N 16 125.061 125.061 121.143 3.918 19433 8227 1 18 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.267 1.264 19433 8228 1 18 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.674 -3.514 19433 8229 1 18 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.308 0.595 19433 8230 1 18 . 1 1 16 16 GLN H H 16 9.063 9.063 7.935 1.128 19433 8231 1 18 . 1 1 17 17 THR N N 17 110.936 110.936 110.958 -0.022 19433 8232 1 18 . 1 1 17 17 THR HA H 17 4.415 4.415 4.177 0.238 19433 8233 1 18 . 1 1 17 17 THR CA C 17 58.240 58.240 59.140 -0.900 19433 8234 1 18 . 1 1 17 17 THR CB C 17 67.913 67.913 70.408 -2.495 19433 8235 1 18 . 1 1 17 17 THR H H 17 7.765 7.765 7.930 -0.165 19433 8236 1 18 . 1 1 18 18 TYR N N 18 112.380 112.380 117.760 -5.380 19433 8237 1 18 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.261 0.094 19433 8238 1 18 . 1 1 18 18 TYR CA C 18 54.029 54.029 58.484 -4.455 19433 8239 1 18 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.767 -3.200 19433 8240 1 18 . 1 1 18 18 TYR H H 18 6.950 6.950 7.452 -0.502 19433 8241 1 18 . 1 1 19 19 PHE N N 19 119.710 119.710 116.347 3.363 19433 8242 1 18 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.863 0.133 19433 8243 1 18 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.568 -2.558 19433 8244 1 18 . 1 1 19 19 PHE CB C 19 38.471 38.471 39.961 -1.490 19433 8245 1 18 . 1 1 19 19 PHE H H 19 8.014 8.014 6.285 1.729 19433 8246 1 18 . 1 1 20 20 ASN N N 20 117.921 117.921 117.867 0.054 19433 8247 1 18 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.319 -0.630 19433 8248 1 18 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.595 -0.558 19433 8249 1 18 . 1 1 20 20 ASN CB C 20 36.306 36.306 40.918 -4.612 19433 8250 1 18 . 1 1 20 20 ASN H H 20 8.724 8.724 8.493 0.231 19433 8251 1 18 . 1 1 21 21 VAL N N 21 115.311 115.311 116.571 -1.260 19433 8252 1 18 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.777 0.107 19433 8253 1 18 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.236 -1.735 19433 8254 1 18 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.708 -3.862 19433 8255 1 18 . 1 1 21 21 VAL H H 21 8.186 8.186 9.084 -0.898 19433 8256 1 18 . 1 1 22 22 LYS N N 22 119.772 119.772 120.611 -0.839 19433 8257 1 18 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.761 0.241 19433 8258 1 18 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.855 -4.322 19433 8259 1 18 . 1 1 22 22 LYS CB C 22 34.265 34.265 32.996 1.269 19433 8260 1 18 . 1 1 22 22 LYS H H 22 9.331 9.331 8.198 1.133 19433 8261 1 18 . 1 1 23 23 ASN N N 23 116.781 116.781 114.003 2.778 19433 8262 1 18 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.757 -0.554 19433 8263 1 18 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.747 -1.814 19433 8264 1 18 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.390 -3.870 19433 8265 1 18 . 1 1 23 23 ASN H H 23 8.573 8.573 8.090 0.483 19433 8266 1 18 . 1 1 24 24 ILE N N 24 118.303 118.303 120.965 -2.662 19433 8267 1 18 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.164 0.580 19433 8268 1 18 . 1 1 24 24 ILE CA C 24 57.544 57.544 60.833 -3.289 19433 8269 1 18 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.018 -0.782 19433 8270 1 18 . 1 1 24 24 ILE H H 24 8.329 8.329 8.285 0.044 19433 8271 1 18 . 1 1 25 25 LYS N N 25 129.189 129.189 128.698 0.491 19433 8272 1 18 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.791 0.095 19433 8273 1 18 . 1 1 25 25 LYS CA C 25 52.761 52.761 56.607 -3.846 19433 8274 1 18 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.207 -1.560 19433 8275 1 18 . 1 1 25 25 LYS H H 25 9.102 9.102 8.299 0.803 19433 8276 1 18 . 1 1 26 26 VAL N N 26 129.283 129.283 125.755 3.528 19433 8277 1 18 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.526 0.440 19433 8278 1 18 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.252 -2.153 19433 8279 1 18 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.331 -4.960 19433 8280 1 18 . 1 1 26 26 VAL H H 26 9.057 9.057 8.592 0.465 19433 8281 1 18 . 1 1 27 27 THR N N 27 120.185 120.185 120.463 -0.278 19433 8282 1 18 . 1 1 27 27 THR HA H 27 5.542 5.542 5.081 0.461 19433 8283 1 18 . 1 1 27 27 THR CA C 27 56.977 56.977 62.296 -5.319 19433 8284 1 18 . 1 1 27 27 THR CB C 27 68.220 68.220 71.962 -3.742 19433 8285 1 18 . 1 1 27 27 THR H H 27 9.177 9.177 8.524 0.653 19433 8286 1 18 . 1 1 28 28 TRP N N 28 123.046 123.046 123.178 -0.132 19433 8287 1 18 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.437 -0.047 19433 8288 1 18 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.780 -2.163 19433 8289 1 18 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.535 -1.573 19433 8290 1 18 . 1 1 28 28 TRP H H 28 8.787 8.787 8.159 0.628 19433 8291 1 18 . 1 1 29 29 ASN N N 29 116.792 116.792 117.586 -0.794 19433 8292 1 18 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.787 -1.371 19433 8293 1 18 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.690 -1.425 19433 8294 1 18 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.477 -7.298 19433 8295 1 18 . 1 1 29 29 ASN H H 29 8.193 8.193 7.348 0.845 19433 8296 1 18 . 1 1 30 30 ASP N N 30 118.710 118.710 120.631 -1.921 19433 8297 1 18 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.609 -0.092 19433 8298 1 18 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.157 -2.695 19433 8299 1 18 . 1 1 30 30 ASP CB C 30 36.498 36.498 38.935 -2.437 19433 8300 1 18 . 1 1 30 30 ASP H H 30 8.937 8.937 8.656 0.281 19433 8301 1 18 . 1 1 31 31 GLY N N 31 106.542 106.542 109.917 -3.375 19433 8302 1 18 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.795 -1.329 19433 8303 1 18 . 1 1 31 31 GLY H H 31 7.594 7.594 7.751 -0.157 19433 8304 1 18 . 1 1 32 32 LYS N N 32 121.904 121.904 124.136 -2.232 19433 8305 1 18 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.118 -0.229 19433 8306 1 18 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.446 -2.621 19433 8307 1 18 . 1 1 32 32 LYS CB C 32 28.130 28.130 31.699 -3.569 19433 8308 1 18 . 1 1 32 32 LYS H H 32 7.510 7.510 7.991 -0.481 19433 8309 1 18 . 1 1 33 33 GLU N N 33 119.124 119.124 124.331 -5.207 19433 8310 1 18 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.889 0.391 19433 8311 1 18 . 1 1 33 33 GLU CA C 33 52.331 52.331 53.830 -1.499 19433 8312 1 18 . 1 1 33 33 GLU CB C 33 31.709 31.709 32.437 -0.728 19433 8313 1 18 . 1 1 33 33 GLU H H 33 7.843 7.843 8.006 -0.163 19433 8314 1 18 . 1 1 34 34 GLN N N 34 123.230 123.230 116.740 6.490 19433 8315 1 18 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.774 -0.351 19433 8316 1 18 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.640 -2.343 19433 8317 1 18 . 1 1 34 34 GLN CB C 34 30.242 30.242 33.839 -3.597 19433 8318 1 18 . 1 1 34 34 GLN H H 34 9.114 9.114 8.879 0.235 19433 8319 1 18 . 1 1 35 35 THR N N 35 119.194 119.194 114.012 5.182 19433 8320 1 18 . 1 1 35 35 THR HA H 35 5.241 5.241 5.202 0.039 19433 8321 1 18 . 1 1 35 35 THR CA C 35 58.075 58.075 58.861 -0.786 19433 8322 1 18 . 1 1 35 35 THR CB C 35 67.936 67.936 70.135 -2.199 19433 8323 1 18 . 1 1 35 35 THR H H 35 8.397 8.397 8.191 0.206 19433 8324 1 18 . 1 1 36 36 VAL N N 36 126.317 126.317 120.502 5.815 19433 8325 1 18 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.531 -0.365 19433 8326 1 18 . 1 1 36 36 VAL CA C 36 58.296 58.296 58.779 -0.482 19433 8327 1 18 . 1 1 36 36 VAL CB C 36 31.785 31.785 34.226 -2.441 19433 8328 1 18 . 1 1 36 36 VAL H H 36 8.976 8.976 8.208 0.768 19433 8329 1 18 . 1 1 37 37 ASN N N 37 126.536 126.536 117.538 8.998 19433 8330 1 18 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.589 -0.228 19433 8331 1 18 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.210 -0.116 19433 8332 1 18 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.478 -2.724 19433 8333 1 18 . 1 1 37 37 ASN H H 37 8.974 8.974 8.496 0.478 19433 8334 1 18 . 1 1 38 38 THR N N 38 112.460 112.460 114.950 -2.490 19433 8335 1 18 . 1 1 38 38 THR HA H 38 4.850 4.850 4.901 -0.051 19433 8336 1 18 . 1 1 38 38 THR CA C 38 58.536 58.536 61.337 -2.801 19433 8337 1 18 . 1 1 38 38 THR CB C 38 69.085 69.085 71.778 -2.693 19433 8338 1 18 . 1 1 38 38 THR H H 38 7.762 7.762 7.776 -0.014 19433 8339 1 18 . 1 1 39 39 LEU N N 39 126.316 126.316 124.246 2.070 19433 8340 1 18 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.803 -0.260 19433 8341 1 18 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.093 -1.308 19433 8342 1 18 . 1 1 39 39 LEU CB C 39 42.341 42.341 46.325 -3.984 19433 8343 1 18 . 1 1 39 39 LEU H H 39 8.572 8.572 9.236 -0.664 19433 8344 1 18 . 1 1 40 40 GLY N N 40 116.669 116.669 110.566 6.103 19433 8345 1 18 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.149 -1.884 19433 8346 1 18 . 1 1 40 40 GLY H H 40 9.303 9.303 8.570 0.733 19433 8347 1 18 . 1 1 41 41 SER N N 41 113.384 113.384 116.480 -3.096 19433 8348 1 18 . 1 1 41 41 SER HA H 41 3.612 3.612 4.368 -0.756 19433 8349 1 18 . 1 1 41 41 SER CA C 41 56.211 56.211 58.967 -2.756 19433 8350 1 18 . 1 1 41 41 SER CB C 41 60.482 60.482 63.248 -2.766 19433 8351 1 18 . 1 1 41 41 SER H H 41 7.883 7.883 8.319 -0.436 19433 8352 1 18 . 1 1 42 42 HIS N N 42 120.045 120.045 118.047 1.998 19433 8353 1 18 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.155 0.277 19433 8354 1 18 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.638 -3.634 19433 8355 1 18 . 1 1 42 42 HIS CB C 42 23.445 23.445 29.270 -5.825 19433 8356 1 18 . 1 1 42 42 HIS H H 42 7.882 7.882 8.845 -0.963 19433 8357 1 18 . 1 1 43 43 ASP N N 43 119.308 119.308 120.037 -0.729 19433 8358 1 18 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.790 0.247 19433 8359 1 18 . 1 1 43 43 ASP CA C 43 50.078 50.078 56.120 -6.042 19433 8360 1 18 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.154 -1.445 19433 8361 1 18 . 1 1 43 43 ASP H H 43 7.906 7.906 7.689 0.217 19433 8362 1 18 . 1 1 44 44 SER N N 44 111.544 111.544 113.330 -1.786 19433 8363 1 18 . 1 1 44 44 SER HA H 44 5.617 5.617 5.219 0.398 19433 8364 1 18 . 1 1 44 44 SER CA C 44 53.597 53.597 56.828 -3.231 19433 8365 1 18 . 1 1 44 44 SER CB C 44 65.207 65.207 66.987 -1.780 19433 8366 1 18 . 1 1 44 44 SER H H 44 8.396 8.396 8.430 -0.034 19433 8367 1 18 . 1 1 45 45 ILE N N 45 119.898 119.898 120.412 -0.514 19433 8368 1 18 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.648 -0.138 19433 8369 1 18 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.571 -3.531 19433 8370 1 18 . 1 1 45 45 ILE CB C 45 39.246 39.246 41.937 -2.691 19433 8371 1 18 . 1 1 45 45 ILE H H 45 8.726 8.726 8.992 -0.266 19433 8372 1 18 . 1 1 46 46 ASP N N 46 123.866 123.866 124.627 -0.761 19433 8373 1 18 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.320 0.201 19433 8374 1 18 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.627 -3.254 19433 8375 1 18 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.694 -2.882 19433 8376 1 18 . 1 1 46 46 ASP H H 46 7.891 7.891 8.315 -0.424 19433 8377 1 18 . 1 1 47 47 PHE N N 47 116.649 116.649 115.854 0.795 19433 8378 1 18 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.782 -0.009 19433 8379 1 18 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.035 -2.946 19433 8380 1 18 . 1 1 47 47 PHE CB C 47 37.740 37.740 40.337 -2.597 19433 8381 1 18 . 1 1 47 47 PHE H H 47 8.654 8.654 7.699 0.955 19433 8382 1 18 . 1 1 48 48 SER N N 48 114.033 114.033 116.635 -2.602 19433 8383 1 18 . 1 1 48 48 SER HA H 48 4.729 4.729 4.363 0.366 19433 8384 1 18 . 1 1 48 48 SER CA C 48 49.403 49.403 59.278 -9.874 19433 8385 1 18 . 1 1 48 48 SER CB C 48 61.957 61.957 63.611 -1.654 19433 8386 1 18 . 1 1 48 48 SER H H 48 8.667 8.667 8.542 0.125 19433 8387 1 18 . 1 1 49 49 SER N N 49 119.169 119.169 117.532 1.637 19433 8388 1 18 . 1 1 49 49 SER HA H 49 4.357 4.357 4.711 -0.354 19433 8389 1 18 . 1 1 49 49 SER CA C 49 55.003 55.003 57.133 -2.130 19433 8390 1 18 . 1 1 49 49 SER CB C 49 61.708 61.708 64.593 -2.885 19433 8391 1 18 . 1 1 49 49 SER H H 49 8.644 8.644 8.000 0.644 19433 8392 1 18 . 1 1 50 50 ASP N N 50 120.389 120.389 121.981 -1.592 19433 8393 1 18 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.787 -0.342 19433 8394 1 18 . 1 1 50 50 ASP CA C 50 52.432 52.432 53.238 -0.806 19433 8395 1 18 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.160 -2.038 19433 8396 1 18 . 1 1 50 50 ASP H H 50 8.743 8.743 9.255 -0.512 19433 8397 1 18 . 1 1 51 51 ALA N N 51 120.149 120.149 123.541 -3.392 19433 8398 1 18 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.621 0.005 19433 8399 1 18 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.990 -3.288 19433 8400 1 18 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.022 -1.826 19433 8401 1 18 . 1 1 51 51 ALA H H 51 8.178 8.178 7.445 0.733 19433 8402 1 18 . 1 1 52 52 GLY N N 52 106.575 106.575 109.969 -3.394 19433 8403 1 18 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.945 -4.078 19433 8404 1 18 . 1 1 52 52 GLY H H 52 8.465 8.465 8.940 -0.475 19433 8405 1 18 . 1 1 53 53 SER N N 53 111.247 111.247 112.329 -1.082 19433 8406 1 18 . 1 1 53 53 SER HA H 53 4.371 4.371 4.490 -0.119 19433 8407 1 18 . 1 1 53 53 SER CA C 53 55.270 55.270 56.692 -1.422 19433 8408 1 18 . 1 1 53 53 SER CB C 53 61.515 61.515 65.769 -4.254 19433 8409 1 18 . 1 1 53 53 SER H H 53 7.606 7.606 7.535 0.071 19433 8410 1 18 . 1 1 54 54 VAL N N 54 124.481 124.481 119.516 4.965 19433 8411 1 18 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.136 0.170 19433 8412 1 18 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.152 -1.377 19433 8413 1 18 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.909 -5.216 19433 8414 1 18 . 1 1 54 54 VAL H H 54 8.587 8.587 8.522 0.065 19433 8415 1 18 . 1 1 55 55 TYR N N 55 122.616 122.616 116.985 5.631 19433 8416 1 18 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.213 -0.032 19433 8417 1 18 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.272 -1.590 19433 8418 1 18 . 1 1 55 55 TYR CB C 55 36.877 36.877 40.285 -3.408 19433 8419 1 18 . 1 1 55 55 TYR H H 55 8.586 8.586 8.414 0.172 19433 8420 1 18 . 1 1 56 56 LYS N N 56 121.197 121.197 118.844 2.353 19433 8421 1 18 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.952 -0.196 19433 8422 1 18 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.738 -2.332 19433 8423 1 18 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.343 -3.870 19433 8424 1 18 . 1 1 56 56 LYS H H 56 7.276 7.276 7.610 -0.334 19433 8425 1 18 . 1 1 57 57 MET N N 57 122.040 122.040 120.714 1.326 19433 8426 1 18 . 1 1 57 57 MET HA H 57 5.440 5.440 5.299 0.141 19433 8427 1 18 . 1 1 57 57 MET CA C 57 52.893 52.893 55.433 -2.540 19433 8428 1 18 . 1 1 57 57 MET CB C 57 35.646 35.646 37.626 -1.980 19433 8429 1 18 . 1 1 57 57 MET H H 57 8.637 8.637 8.770 -0.133 19433 8430 1 18 . 1 1 58 58 ASP N N 58 125.086 125.086 125.868 -0.782 19433 8431 1 18 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.143 0.597 19433 8432 1 18 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.722 -2.938 19433 8433 1 18 . 1 1 58 58 ASP CB C 58 42.339 42.339 42.174 0.165 19433 8434 1 18 . 1 1 58 58 ASP H H 58 9.367 9.367 8.575 0.792 19433 8435 1 18 . 1 1 59 59 VAL N N 59 120.817 120.817 122.534 -1.717 19433 8436 1 18 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.618 0.440 19433 8437 1 18 . 1 1 59 59 VAL CA C 59 58.103 58.103 61.963 -3.860 19433 8438 1 18 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.727 0.055 19433 8439 1 18 . 1 1 59 59 VAL H H 59 8.890 8.890 8.292 0.598 19433 8440 1 18 . 1 1 60 60 THR N N 60 120.028 120.028 121.319 -1.291 19433 8441 1 18 . 1 1 60 60 THR HA H 60 5.125 5.125 5.027 0.098 19433 8442 1 18 . 1 1 60 60 THR CA C 60 56.923 56.923 60.853 -3.930 19433 8443 1 18 . 1 1 60 60 THR CB C 60 68.946 68.946 69.970 -1.024 19433 8444 1 18 . 1 1 60 60 THR H H 60 8.578 8.578 8.945 -0.367 19433 8445 1 18 . 1 1 61 61 GLY N N 61 108.812 108.812 113.609 -4.797 19433 8446 1 18 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.715 -0.521 19433 8447 1 18 . 1 1 61 61 GLY H H 61 7.330 7.330 8.545 -1.215 19433 8448 1 18 . 1 1 62 62 THR N N 62 111.342 111.342 113.337 -1.995 19433 8449 1 18 . 1 1 62 62 THR HA H 62 5.333 5.333 5.175 0.158 19433 8450 1 18 . 1 1 62 62 THR CA C 62 57.514 57.514 60.829 -3.315 19433 8451 1 18 . 1 1 62 62 THR CB C 62 69.348 69.348 72.708 -3.360 19433 8452 1 18 . 1 1 62 62 THR H H 62 8.013 8.013 7.760 0.253 19433 8453 1 18 . 1 1 63 63 THR N N 63 115.003 115.003 115.197 -0.194 19433 8454 1 18 . 1 1 63 63 THR HA H 63 4.751 4.751 4.010 0.741 19433 8455 1 18 . 1 1 63 63 THR CA C 63 58.700 58.700 60.882 -2.182 19433 8456 1 18 . 1 1 63 63 THR CB C 63 68.654 68.654 69.352 -0.698 19433 8457 1 18 . 1 1 63 63 THR H H 63 9.432 9.432 8.838 0.594 19433 8458 1 18 . 1 1 64 64 GLN N N 64 120.671 120.671 120.546 0.125 19433 8459 1 18 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.066 -0.224 19433 8460 1 18 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.607 -2.335 19433 8461 1 18 . 1 1 64 64 GLN CB C 64 26.086 26.086 27.976 -1.890 19433 8462 1 18 . 1 1 64 64 GLN H H 64 8.037 8.037 8.650 -0.613 19433 8463 1 18 . 1 1 65 65 SER N N 65 110.096 110.096 113.167 -3.071 19433 8464 1 18 . 1 1 65 65 SER HA H 65 4.351 4.351 4.542 -0.191 19433 8465 1 18 . 1 1 65 65 SER CA C 65 55.577 55.577 57.357 -1.780 19433 8466 1 18 . 1 1 65 65 SER CB C 65 60.350 60.350 63.691 -3.341 19433 8467 1 18 . 1 1 65 65 SER H H 65 7.670 7.670 7.540 0.130 19433 8468 1 18 . 1 1 66 66 GLY N N 66 109.466 109.466 109.690 -0.224 19433 8469 1 18 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.229 -2.579 19433 8470 1 18 . 1 1 66 66 GLY H H 66 7.810 7.810 7.781 0.029 19433 8471 1 18 . 1 1 67 67 GLU N N 67 121.149 121.149 121.748 -0.599 19433 8472 1 18 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.280 0.023 19433 8473 1 18 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.347 -2.428 19433 8474 1 18 . 1 1 67 67 GLU CB C 67 27.030 27.030 30.300 -3.270 19433 8475 1 18 . 1 1 67 67 GLU H H 67 7.518 7.518 8.152 -0.634 19433 8476 1 18 . 1 1 68 68 LYS N N 68 124.553 124.553 126.338 -1.785 19433 8477 1 18 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.552 0.334 19433 8478 1 18 . 1 1 68 68 LYS CA C 68 53.002 53.002 56.534 -3.532 19433 8479 1 18 . 1 1 68 68 LYS CB C 68 31.499 31.499 33.918 -2.419 19433 8480 1 18 . 1 1 68 68 LYS H H 68 8.631 8.631 8.504 0.127 19433 8481 1 18 . 1 1 69 69 PHE N N 69 119.363 119.363 119.814 -0.451 19433 8482 1 18 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.073 0.089 19433 8483 1 18 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.357 -2.747 19433 8484 1 18 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.404 -1.873 19433 8485 1 18 . 1 1 69 69 PHE H H 69 8.180 8.180 8.519 -0.339 19433 8486 1 18 . 1 1 70 70 THR N N 70 113.468 113.468 112.054 1.414 19433 8487 1 18 . 1 1 70 70 THR HA H 70 5.331 5.331 4.683 0.648 19433 8488 1 18 . 1 1 70 70 THR CA C 70 57.694 57.694 60.303 -2.609 19433 8489 1 18 . 1 1 70 70 THR CB C 70 69.969 69.969 72.281 -2.312 19433 8490 1 18 . 1 1 70 70 THR H H 70 8.623 8.623 8.530 0.093 19433 8491 1 18 . 1 1 71 71 GLY N N 71 110.469 110.469 108.825 1.644 19433 8492 1 18 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.788 -2.030 19433 8493 1 18 . 1 1 71 71 GLY H H 71 8.955 8.955 8.065 0.890 19433 8494 1 18 . 1 1 72 72 HIS N N 72 121.565 121.565 124.087 -2.522 19433 8495 1 18 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.969 0.317 19433 8496 1 18 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.097 -4.177 19433 8497 1 18 . 1 1 72 72 HIS CB C 72 28.409 28.409 29.209 -0.800 19433 8498 1 18 . 1 1 72 72 HIS H H 72 8.162 8.162 8.204 -0.042 19433 8499 1 18 . 1 1 73 73 PHE N N 73 122.114 122.114 125.070 -2.956 19433 8500 1 18 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.940 0.054 19433 8501 1 18 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.051 -3.049 19433 8502 1 18 . 1 1 73 73 PHE CB C 73 40.278 40.278 43.648 -3.370 19433 8503 1 18 . 1 1 73 73 PHE H H 73 9.117 9.117 8.973 0.144 19433 8504 1 18 . 1 1 74 74 LYS N N 74 122.834 122.834 119.342 3.492 19433 8505 1 18 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.923 -0.047 19433 8506 1 18 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.575 -2.774 19433 8507 1 18 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.471 -3.730 19433 8508 1 18 . 1 1 74 74 LYS H H 74 8.889 8.889 8.571 0.318 19433 8509 1 18 . 1 1 75 75 GLY N N 75 109.821 109.821 108.945 0.876 19433 8510 1 18 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.949 -1.714 19433 8511 1 18 . 1 1 75 75 GLY H H 75 8.418 8.418 8.355 0.063 19433 8512 1 18 . 1 1 76 76 LEU N N 76 119.557 119.557 119.775 -0.218 19433 8513 1 18 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.611 -0.271 19433 8514 1 18 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.361 -1.988 19433 8515 1 18 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.998 -3.339 19433 8516 1 18 . 1 1 76 76 LEU H H 76 7.893 7.893 7.753 0.141 19433 8517 1 18 . 1 1 77 77 VAL N N 77 118.411 118.411 117.509 0.902 19433 8518 1 18 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.560 -0.167 19433 8519 1 18 . 1 1 77 77 VAL CA C 77 58.445 58.445 61.139 -2.694 19433 8520 1 18 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.850 -2.638 19433 8521 1 18 . 1 1 77 77 VAL H H 77 8.583 8.583 7.932 0.651 19433 8522 1 18 . 1 1 78 78 GLY N N 78 111.284 111.284 109.623 1.661 19433 8523 1 18 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.224 -2.226 19433 8524 1 18 . 1 1 78 78 GLY H H 78 8.218 8.218 8.159 0.059 19433 8525 1 18 . 1 1 79 79 LYS N N 79 120.895 120.895 120.643 0.252 19433 8526 1 18 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.310 -0.033 19433 8527 1 18 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.296 -1.845 19433 8528 1 18 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.631 -2.354 19433 8529 1 18 . 1 1 79 79 LYS H H 79 8.347 8.347 8.370 -0.023 19433 8530 1 18 . 1 1 80 80 ASP N N 80 119.681 119.681 116.068 3.613 19433 8531 1 18 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.185 -0.378 19433 8532 1 18 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.204 -0.970 19433 8533 1 18 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.055 -5.031 19433 8534 1 18 . 1 1 80 80 ASP H H 80 7.993 7.993 7.405 0.588 19433 8535 1 18 . 1 1 81 81 THR N N 81 118.659 118.659 115.381 3.278 19433 8536 1 18 . 1 1 81 81 THR HA H 81 4.076 4.076 4.483 -0.407 19433 8537 1 18 . 1 1 81 81 THR CA C 81 60.371 60.371 61.958 -1.587 19433 8538 1 18 . 1 1 81 81 THR CB C 81 67.694 67.694 70.085 -2.391 19433 8539 1 18 . 1 1 81 81 THR H H 81 8.002 8.002 8.278 -0.276 19433 8540 1 18 . 1 1 82 82 ARG N N 82 127.944 127.944 125.669 2.275 19433 8541 1 18 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.158 -0.561 19433 8542 1 18 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.837 -2.666 19433 8543 1 18 . 1 1 82 82 ARG CB C 82 29.608 29.608 31.977 -2.369 19433 8544 1 18 . 1 1 82 82 ARG H H 82 8.183 8.183 8.344 -0.161 19433 8545 1 18 . 1 1 83 83 VAL N N 83 121.617 121.617 119.924 1.693 19433 8546 1 18 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.090 -0.026 19433 8547 1 18 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.189 -3.514 19433 8548 1 18 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.154 -3.838 19433 8549 1 18 . 1 1 83 83 VAL H H 83 8.639 8.639 8.159 0.480 19433 8550 1 18 . 1 1 84 84 PHE N N 84 124.702 124.702 126.654 -1.952 19433 8551 1 18 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.797 0.170 19433 8552 1 18 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.684 -0.884 19433 8553 1 18 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.080 0.608 19433 8554 1 18 . 1 1 84 84 PHE H H 84 9.198 9.198 9.012 0.186 19433 8555 1 18 . 1 1 85 85 ILE N N 85 123.027 123.027 125.389 -2.362 19433 8556 1 18 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.004 0.443 19433 8557 1 18 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.421 -4.508 19433 8558 1 18 . 1 1 85 85 ILE CB C 85 35.870 35.870 36.737 -0.867 19433 8559 1 18 . 1 1 85 85 ILE H H 85 8.650 8.650 7.918 0.732 19433 8560 1 18 . 1 1 86 86 GLU N N 86 124.137 124.137 124.308 -0.171 19433 8561 1 18 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.759 -0.184 19433 8562 1 18 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.641 -3.110 19433 8563 1 18 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.016 -1.489 19433 8564 1 18 . 1 1 86 86 GLU H H 86 8.754 8.754 7.846 0.908 19433 8565 1 18 . 1 1 87 87 LEU N N 87 120.087 120.087 118.745 1.342 19433 8566 1 18 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.304 -0.443 19433 8567 1 18 . 1 1 87 87 LEU CA C 87 51.130 51.130 52.734 -1.605 19433 8568 1 18 . 1 1 87 87 LEU CB C 87 41.260 41.260 42.665 -1.405 19433 8569 1 18 . 1 1 87 87 LEU H H 87 8.394 8.394 8.500 -0.106 19433 8570 1 18 . 1 1 88 88 ASP N N 88 123.072 123.072 119.670 3.402 19433 8571 1 18 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.818 -0.159 19433 8572 1 18 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.961 -3.742 19433 8573 1 18 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.809 -4.702 19433 8574 1 18 . 1 1 88 88 ASP H H 88 8.770 8.770 8.144 0.626 19433 8575 1 18 . 1 1 89 89 GLU N N 89 117.437 117.437 119.436 -1.999 19433 8576 1 18 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.970 0.106 19433 8577 1 18 . 1 1 89 89 GLU CA C 89 55.988 55.988 58.953 -2.966 19433 8578 1 18 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.941 -2.779 19433 8579 1 18 . 1 1 89 89 GLU H H 89 9.033 9.033 8.816 0.217 19433 8580 1 18 . 1 1 90 90 ASN N N 90 118.824 118.824 118.544 0.280 19433 8581 1 18 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.877 -0.091 19433 8582 1 18 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.856 -2.686 19433 8583 1 18 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.864 -3.168 19433 8584 1 18 . 1 1 90 90 ASN H H 90 8.351 8.351 8.307 0.044 19433 8585 1 18 . 1 1 91 91 ALA N N 91 118.167 118.167 121.935 -3.768 19433 8586 1 18 . 1 1 91 91 ALA HA H 91 3.752 3.752 4.083 -0.331 19433 8587 1 18 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.167 -1.912 19433 8588 1 18 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.790 -3.872 19433 8589 1 18 . 1 1 91 91 ALA H H 91 8.284 8.284 8.243 0.041 19433 8590 1 18 . 1 1 92 92 ASP N N 92 118.574 118.574 119.531 -0.957 19433 8591 1 18 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.750 0.182 19433 8592 1 18 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.282 -3.466 19433 8593 1 18 . 1 1 92 92 ASP CB C 92 39.170 39.170 41.638 -2.468 19433 8594 1 18 . 1 1 92 92 ASP H H 92 8.215 8.215 7.739 0.476 19433 8595 1 18 . 1 1 93 93 VAL N N 93 121.604 121.604 123.913 -2.309 19433 8596 1 18 . 1 1 93 93 VAL HA H 93 4.069 4.069 3.995 0.074 19433 8597 1 18 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.623 -2.169 19433 8598 1 18 . 1 1 93 93 VAL CB C 93 28.988 28.988 30.166 -1.178 19433 8599 1 18 . 1 1 93 93 VAL H H 93 8.440 8.440 8.537 -0.097 19433 8600 1 18 . 1 1 94 94 GLN N N 94 125.344 125.344 125.428 -0.084 19433 8601 1 18 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.781 -0.020 19433 8602 1 18 . 1 1 94 94 GLN CA C 94 50.314 50.314 54.137 -3.823 19433 8603 1 18 . 1 1 94 94 GLN CB C 94 29.399 29.399 30.981 -1.582 19433 8604 1 18 . 1 1 94 94 GLN H H 94 8.958 8.958 7.777 1.181 19433 8605 1 18 . 1 1 95 95 VAL N N 95 119.370 119.370 117.896 1.474 19433 8606 1 18 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.793 0.268 19433 8607 1 18 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.812 -4.532 19433 8608 1 18 . 1 1 95 95 VAL CB C 95 30.926 30.926 35.389 -4.463 19433 8609 1 18 . 1 1 95 95 VAL H H 95 8.420 8.420 8.392 0.028 19433 8610 1 18 . 1 1 96 96 PHE N N 96 126.219 126.219 126.363 -0.144 19433 8611 1 18 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.181 -0.149 19433 8612 1 18 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.388 -2.498 19433 8613 1 18 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.235 -3.732 19433 8614 1 18 . 1 1 96 96 PHE H H 96 9.314 9.314 9.180 0.134 19433 8615 1 18 . 1 1 97 97 ILE N N 97 123.424 123.424 116.039 7.385 19433 8616 1 18 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.121 0.693 19433 8617 1 18 . 1 1 97 97 ILE CA C 97 55.066 55.066 56.995 -1.929 19433 8618 1 18 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.684 -3.407 19433 8619 1 18 . 1 1 97 97 ILE H H 97 7.613 7.613 6.808 0.805 19433 8620 1 18 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.405 -0.135 19433 8621 1 18 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.813 -2.815 19433 8622 1 18 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.472 -1.815 19433 8623 1 18 . 1 1 99 99 GLN N N 99 121.028 121.028 122.448 -1.420 19433 8624 1 18 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.521 -0.066 19433 8625 1 18 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.380 -1.760 19433 8626 1 18 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.787 -3.344 19433 8627 1 18 . 1 1 99 99 GLN H H 99 8.507 8.507 8.015 0.492 19433 8628 1 18 . 1 1 100 100 GLY N N 100 110.029 110.029 108.990 1.039 19433 8629 1 18 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.931 -3.303 19433 8630 1 18 . 1 1 100 100 GLY H H 100 8.356 8.356 8.444 -0.088 19433 8631 1 18 . 1 1 101 101 GLU N N 101 120.385 120.385 123.187 -2.802 19433 8632 1 18 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.219 0.072 19433 8633 1 18 . 1 1 101 101 GLU CA C 101 53.751 53.751 56.515 -2.764 19433 8634 1 18 . 1 1 101 101 GLU CB C 101 27.830 27.830 27.432 0.398 19433 8635 1 18 . 1 1 101 101 GLU H H 101 8.378 8.378 8.646 -0.268 19433 8636 1 18 . 1 1 102 102 ILE N N 102 120.838 120.838 117.510 3.328 19433 8637 1 18 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.469 -0.303 19433 8638 1 18 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.523 -2.155 19433 8639 1 18 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.153 -1.440 19433 8640 1 18 . 1 1 102 102 ILE H H 102 8.168 8.168 7.855 0.313 19433 8641 1 19 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.573 -0.342 19433 8642 1 19 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.478 -0.945 19433 8643 1 19 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.822 -4.178 19433 8644 1 19 . 1 1 3 3 GLN N N 3 118.180 118.180 118.979 -0.799 19433 8645 1 19 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.190 0.078 19433 8646 1 19 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.360 -2.921 19433 8647 1 19 . 1 1 3 3 GLN H H 3 8.579 8.579 8.293 0.286 19433 8648 1 19 . 1 1 4 4 ASP N N 4 120.328 120.328 116.758 3.570 19433 8649 1 19 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.726 -0.229 19433 8650 1 19 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.354 -2.589 19433 8651 1 19 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.267 -2.745 19433 8652 1 19 . 1 1 4 4 ASP H H 4 8.061 8.061 8.072 -0.011 19433 8653 1 19 . 1 1 5 5 GLY N N 5 109.114 109.114 108.878 0.236 19433 8654 1 19 . 1 1 5 5 GLY CA C 5 43.030 43.030 44.582 -1.552 19433 8655 1 19 . 1 1 5 5 GLY H H 5 8.322 8.322 8.465 -0.143 19433 8656 1 19 . 1 1 6 6 LYS N N 6 120.397 120.397 122.692 -2.295 19433 8657 1 19 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.125 0.172 19433 8658 1 19 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.892 -3.574 19433 8659 1 19 . 1 1 6 6 LYS CB C 6 30.441 30.441 31.348 -0.907 19433 8660 1 19 . 1 1 6 6 LYS H H 6 8.030 8.030 7.922 0.108 19433 8661 1 19 . 1 1 7 7 GLU N N 7 122.113 122.113 117.948 4.165 19433 8662 1 19 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.496 -0.201 19433 8663 1 19 . 1 1 7 7 GLU CA C 7 53.287 53.287 56.326 -3.039 19433 8664 1 19 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.439 -2.682 19433 8665 1 19 . 1 1 7 7 GLU H H 7 8.464 8.464 7.974 0.490 19433 8666 1 19 . 1 1 8 8 THR N N 8 114.459 114.459 112.011 2.448 19433 8667 1 19 . 1 1 8 8 THR HA H 8 4.543 4.543 4.901 -0.358 19433 8668 1 19 . 1 1 8 8 THR CA C 8 57.966 57.966 60.220 -2.254 19433 8669 1 19 . 1 1 8 8 THR CB C 8 68.123 68.123 71.251 -3.128 19433 8670 1 19 . 1 1 8 8 THR H H 8 7.984 7.984 7.655 0.329 19433 8671 1 19 . 1 1 9 9 THR N N 9 116.229 116.229 116.938 -0.709 19433 8672 1 19 . 1 1 9 9 THR HA H 9 4.584 4.584 4.452 0.132 19433 8673 1 19 . 1 1 9 9 THR CA C 9 58.575 58.575 61.258 -2.683 19433 8674 1 19 . 1 1 9 9 THR CB C 9 67.866 67.866 69.784 -1.918 19433 8675 1 19 . 1 1 9 9 THR H H 9 8.140 8.140 8.299 -0.159 19433 8676 1 19 . 1 1 10 10 THR N N 10 118.509 118.509 116.215 2.294 19433 8677 1 19 . 1 1 10 10 THR HA H 10 4.563 4.563 4.594 -0.031 19433 8678 1 19 . 1 1 10 10 THR CA C 10 59.364 59.364 61.932 -2.568 19433 8679 1 19 . 1 1 10 10 THR CB C 10 68.411 68.411 71.523 -3.112 19433 8680 1 19 . 1 1 10 10 THR H H 10 8.544 8.544 8.329 0.215 19433 8681 1 19 . 1 1 11 11 ILE N N 11 126.772 126.772 124.625 2.147 19433 8682 1 19 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.593 -0.568 19433 8683 1 19 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.306 -1.983 19433 8684 1 19 . 1 1 11 11 ILE CB C 11 36.340 36.340 40.353 -4.013 19433 8685 1 19 . 1 1 11 11 ILE H H 11 8.595 8.595 8.790 -0.195 19433 8686 1 19 . 1 1 12 12 ARG N N 12 125.922 125.922 124.078 1.844 19433 8687 1 19 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.966 0.027 19433 8688 1 19 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.380 -3.490 19433 8689 1 19 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.338 -3.374 19433 8690 1 19 . 1 1 12 12 ARG H H 12 8.031 8.031 8.004 0.027 19433 8691 1 19 . 1 1 13 13 LEU N N 13 126.771 126.771 126.048 0.723 19433 8692 1 19 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.688 0.255 19433 8693 1 19 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.118 -3.492 19433 8694 1 19 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.408 -2.375 19433 8695 1 19 . 1 1 13 13 LEU H H 13 8.828 8.828 8.921 -0.093 19433 8696 1 19 . 1 1 14 14 ILE N N 14 123.438 123.438 121.514 1.924 19433 8697 1 19 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.693 -0.516 19433 8698 1 19 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.377 -1.863 19433 8699 1 19 . 1 1 14 14 ILE CB C 14 38.667 38.667 41.463 -2.796 19433 8700 1 19 . 1 1 14 14 ILE H H 14 8.847 8.847 8.261 0.586 19433 8701 1 19 . 1 1 15 15 ASN N N 15 123.130 123.130 121.783 1.347 19433 8702 1 19 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.952 -0.072 19433 8703 1 19 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.435 -2.767 19433 8704 1 19 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.833 -4.012 19433 8705 1 19 . 1 1 15 15 ASN H H 15 8.446 8.446 9.040 -0.594 19433 8706 1 19 . 1 1 16 16 GLN N N 16 125.061 125.061 121.454 3.607 19433 8707 1 19 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.066 1.466 19433 8708 1 19 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.527 -3.367 19433 8709 1 19 . 1 1 16 16 GLN CB C 16 26.904 26.904 26.402 0.502 19433 8710 1 19 . 1 1 16 16 GLN H H 16 9.063 9.063 8.115 0.948 19433 8711 1 19 . 1 1 17 17 THR N N 17 110.936 110.936 110.998 -0.062 19433 8712 1 19 . 1 1 17 17 THR HA H 17 4.415 4.415 4.463 -0.048 19433 8713 1 19 . 1 1 17 17 THR CA C 17 58.240 58.240 59.287 -1.047 19433 8714 1 19 . 1 1 17 17 THR CB C 17 67.913 67.913 70.732 -2.819 19433 8715 1 19 . 1 1 17 17 THR H H 17 7.765 7.765 7.930 -0.165 19433 8716 1 19 . 1 1 18 18 TYR N N 18 112.380 112.380 117.428 -5.048 19433 8717 1 19 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.518 -0.163 19433 8718 1 19 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.341 -1.312 19433 8719 1 19 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.369 -2.802 19433 8720 1 19 . 1 1 18 18 TYR H H 18 6.950 6.950 8.614 -1.664 19433 8721 1 19 . 1 1 19 19 PHE N N 19 119.710 119.710 116.376 3.334 19433 8722 1 19 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.892 0.104 19433 8723 1 19 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.834 -2.824 19433 8724 1 19 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.072 -1.601 19433 8725 1 19 . 1 1 19 19 PHE H H 19 8.014 8.014 6.598 1.416 19433 8726 1 19 . 1 1 20 20 ASN N N 20 117.921 117.921 117.259 0.662 19433 8727 1 19 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.409 -0.720 19433 8728 1 19 . 1 1 20 20 ASN CA C 20 52.037 52.037 51.905 0.132 19433 8729 1 19 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.925 -5.619 19433 8730 1 19 . 1 1 20 20 ASN H H 20 8.724 8.724 8.489 0.235 19433 8731 1 19 . 1 1 21 21 VAL N N 21 115.311 115.311 116.159 -0.848 19433 8732 1 19 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.869 0.015 19433 8733 1 19 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.958 -2.457 19433 8734 1 19 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.531 -3.686 19433 8735 1 19 . 1 1 21 21 VAL H H 21 8.186 8.186 8.946 -0.760 19433 8736 1 19 . 1 1 22 22 LYS N N 22 119.772 119.772 121.243 -1.471 19433 8737 1 19 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.798 0.204 19433 8738 1 19 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.742 -4.209 19433 8739 1 19 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.416 0.848 19433 8740 1 19 . 1 1 22 22 LYS H H 22 9.331 9.331 8.227 1.104 19433 8741 1 19 . 1 1 23 23 ASN N N 23 116.781 116.781 114.519 2.262 19433 8742 1 19 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.770 -0.567 19433 8743 1 19 . 1 1 23 23 ASN CA C 23 50.933 50.933 53.106 -2.173 19433 8744 1 19 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.687 -4.167 19433 8745 1 19 . 1 1 23 23 ASN H H 23 8.573 8.573 8.064 0.509 19433 8746 1 19 . 1 1 24 24 ILE N N 24 118.303 118.303 122.578 -4.275 19433 8747 1 19 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.443 0.301 19433 8748 1 19 . 1 1 24 24 ILE CA C 24 57.544 57.544 60.426 -2.882 19433 8749 1 19 . 1 1 24 24 ILE CB C 24 36.236 36.236 38.255 -2.019 19433 8750 1 19 . 1 1 24 24 ILE H H 24 8.329 8.329 7.735 0.594 19433 8751 1 19 . 1 1 25 25 LYS N N 25 129.189 129.189 127.593 1.596 19433 8752 1 19 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.689 0.197 19433 8753 1 19 . 1 1 25 25 LYS CA C 25 52.761 52.761 56.820 -4.059 19433 8754 1 19 . 1 1 25 25 LYS CB C 25 31.647 31.647 33.567 -1.920 19433 8755 1 19 . 1 1 25 25 LYS H H 25 9.102 9.102 8.095 1.007 19433 8756 1 19 . 1 1 26 26 VAL N N 26 129.283 129.283 123.294 5.989 19433 8757 1 19 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.585 0.381 19433 8758 1 19 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.991 -2.892 19433 8759 1 19 . 1 1 26 26 VAL CB C 26 31.370 31.370 35.472 -4.102 19433 8760 1 19 . 1 1 26 26 VAL H H 26 9.057 9.057 8.855 0.202 19433 8761 1 19 . 1 1 27 27 THR N N 27 120.185 120.185 120.860 -0.675 19433 8762 1 19 . 1 1 27 27 THR HA H 27 5.542 5.542 5.077 0.465 19433 8763 1 19 . 1 1 27 27 THR CA C 27 56.977 56.977 61.458 -4.481 19433 8764 1 19 . 1 1 27 27 THR CB C 27 68.220 68.220 71.673 -3.453 19433 8765 1 19 . 1 1 27 27 THR H H 27 9.177 9.177 8.627 0.550 19433 8766 1 19 . 1 1 28 28 TRP N N 28 123.046 123.046 121.016 2.030 19433 8767 1 19 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.323 0.067 19433 8768 1 19 . 1 1 28 28 TRP CA C 28 53.617 53.617 56.249 -2.632 19433 8769 1 19 . 1 1 28 28 TRP CB C 28 29.962 29.962 30.571 -0.609 19433 8770 1 19 . 1 1 28 28 TRP H H 28 8.787 8.787 8.060 0.727 19433 8771 1 19 . 1 1 29 29 ASN N N 29 116.792 116.792 117.775 -0.983 19433 8772 1 19 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.741 -1.325 19433 8773 1 19 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.487 -1.222 19433 8774 1 19 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.634 -7.455 19433 8775 1 19 . 1 1 29 29 ASN H H 29 8.193 8.193 7.368 0.825 19433 8776 1 19 . 1 1 30 30 ASP N N 30 118.710 118.710 120.874 -2.164 19433 8777 1 19 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.674 -0.157 19433 8778 1 19 . 1 1 30 30 ASP CA C 30 51.462 51.462 55.003 -3.541 19433 8779 1 19 . 1 1 30 30 ASP CB C 30 36.498 36.498 40.441 -3.943 19433 8780 1 19 . 1 1 30 30 ASP H H 30 8.937 8.937 8.562 0.375 19433 8781 1 19 . 1 1 31 31 GLY N N 31 106.542 106.542 110.493 -3.951 19433 8782 1 19 . 1 1 31 31 GLY CA C 31 43.466 43.466 45.064 -1.598 19433 8783 1 19 . 1 1 31 31 GLY H H 31 7.594 7.594 8.068 -0.474 19433 8784 1 19 . 1 1 32 32 LYS N N 32 121.904 121.904 118.868 3.036 19433 8785 1 19 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.301 -0.412 19433 8786 1 19 . 1 1 32 32 LYS CA C 32 52.825 52.825 54.963 -2.138 19433 8787 1 19 . 1 1 32 32 LYS CB C 32 28.130 28.130 34.624 -6.494 19433 8788 1 19 . 1 1 32 32 LYS H H 32 7.510 7.510 8.030 -0.520 19433 8789 1 19 . 1 1 33 33 GLU N N 33 119.124 119.124 121.525 -2.401 19433 8790 1 19 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.873 0.407 19433 8791 1 19 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.323 -1.992 19433 8792 1 19 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.300 -1.591 19433 8793 1 19 . 1 1 33 33 GLU H H 33 7.843 7.843 7.897 -0.054 19433 8794 1 19 . 1 1 34 34 GLN N N 34 123.230 123.230 119.392 3.838 19433 8795 1 19 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.901 -0.478 19433 8796 1 19 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.550 -2.253 19433 8797 1 19 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.050 -1.808 19433 8798 1 19 . 1 1 34 34 GLN H H 34 9.114 9.114 9.148 -0.034 19433 8799 1 19 . 1 1 35 35 THR N N 35 119.194 119.194 112.842 6.352 19433 8800 1 19 . 1 1 35 35 THR HA H 35 5.241 5.241 5.070 0.171 19433 8801 1 19 . 1 1 35 35 THR CA C 35 58.075 58.075 59.616 -1.541 19433 8802 1 19 . 1 1 35 35 THR CB C 35 67.936 67.936 70.971 -3.035 19433 8803 1 19 . 1 1 35 35 THR H H 35 8.397 8.397 8.046 0.351 19433 8804 1 19 . 1 1 36 36 VAL N N 36 126.317 126.317 124.125 2.192 19433 8805 1 19 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.064 0.102 19433 8806 1 19 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.473 -3.177 19433 8807 1 19 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.875 -1.090 19433 8808 1 19 . 1 1 36 36 VAL H H 36 8.976 8.976 8.579 0.397 19433 8809 1 19 . 1 1 37 37 ASN N N 37 126.536 126.536 125.415 1.121 19433 8810 1 19 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.454 -0.093 19433 8811 1 19 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.924 -0.830 19433 8812 1 19 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.503 -2.749 19433 8813 1 19 . 1 1 37 37 ASN H H 37 8.974 8.974 8.856 0.118 19433 8814 1 19 . 1 1 38 38 THR N N 38 112.460 112.460 112.396 0.064 19433 8815 1 19 . 1 1 38 38 THR HA H 38 4.850 4.850 4.758 0.092 19433 8816 1 19 . 1 1 38 38 THR CA C 38 58.536 58.536 62.212 -3.676 19433 8817 1 19 . 1 1 38 38 THR CB C 38 69.085 69.085 71.426 -2.341 19433 8818 1 19 . 1 1 38 38 THR H H 38 7.762 7.762 7.686 0.076 19433 8819 1 19 . 1 1 39 39 LEU N N 39 126.316 126.316 127.098 -0.782 19433 8820 1 19 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.725 -0.182 19433 8821 1 19 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.206 -1.421 19433 8822 1 19 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.025 -2.684 19433 8823 1 19 . 1 1 39 39 LEU H H 39 8.572 8.572 9.192 -0.620 19433 8824 1 19 . 1 1 40 40 GLY N N 40 116.669 116.669 111.611 5.058 19433 8825 1 19 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.340 -2.075 19433 8826 1 19 . 1 1 40 40 GLY H H 40 9.303 9.303 8.380 0.923 19433 8827 1 19 . 1 1 41 41 SER N N 41 113.384 113.384 116.573 -3.189 19433 8828 1 19 . 1 1 41 41 SER HA H 41 3.612 3.612 4.370 -0.758 19433 8829 1 19 . 1 1 41 41 SER CA C 41 56.211 56.211 59.839 -3.628 19433 8830 1 19 . 1 1 41 41 SER CB C 41 60.482 60.482 62.092 -1.610 19433 8831 1 19 . 1 1 41 41 SER H H 41 7.883 7.883 8.415 -0.532 19433 8832 1 19 . 1 1 42 42 HIS N N 42 120.045 120.045 119.696 0.349 19433 8833 1 19 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.141 0.290 19433 8834 1 19 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.112 -3.108 19433 8835 1 19 . 1 1 42 42 HIS CB C 42 23.445 23.445 27.872 -4.427 19433 8836 1 19 . 1 1 42 42 HIS H H 42 7.882 7.882 8.737 -0.855 19433 8837 1 19 . 1 1 43 43 ASP N N 43 119.308 119.308 119.241 0.067 19433 8838 1 19 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.718 0.319 19433 8839 1 19 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.478 -5.400 19433 8840 1 19 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.665 -1.956 19433 8841 1 19 . 1 1 43 43 ASP H H 43 7.906 7.906 7.875 0.031 19433 8842 1 19 . 1 1 44 44 SER N N 44 111.544 111.544 112.723 -1.179 19433 8843 1 19 . 1 1 44 44 SER HA H 44 5.617 5.617 5.261 0.356 19433 8844 1 19 . 1 1 44 44 SER CA C 44 53.597 53.597 57.084 -3.486 19433 8845 1 19 . 1 1 44 44 SER CB C 44 65.207 65.207 66.583 -1.376 19433 8846 1 19 . 1 1 44 44 SER H H 44 8.396 8.396 8.392 0.004 19433 8847 1 19 . 1 1 45 45 ILE N N 45 119.898 119.898 120.364 -0.466 19433 8848 1 19 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.658 -0.148 19433 8849 1 19 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.662 -3.622 19433 8850 1 19 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.419 -3.173 19433 8851 1 19 . 1 1 45 45 ILE H H 45 8.726 8.726 8.971 -0.245 19433 8852 1 19 . 1 1 46 46 ASP N N 46 123.866 123.866 125.662 -1.796 19433 8853 1 19 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.556 -0.035 19433 8854 1 19 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.770 -3.397 19433 8855 1 19 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.829 -2.017 19433 8856 1 19 . 1 1 46 46 ASP H H 46 7.891 7.891 8.335 -0.444 19433 8857 1 19 . 1 1 47 47 PHE N N 47 116.649 116.649 117.414 -0.765 19433 8858 1 19 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.812 -0.039 19433 8859 1 19 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.705 -2.617 19433 8860 1 19 . 1 1 47 47 PHE CB C 47 37.740 37.740 40.948 -3.208 19433 8861 1 19 . 1 1 47 47 PHE H H 47 8.654 8.654 8.537 0.117 19433 8862 1 19 . 1 1 48 48 SER N N 48 114.033 114.033 116.728 -2.695 19433 8863 1 19 . 1 1 48 48 SER HA H 48 4.729 4.729 4.522 0.207 19433 8864 1 19 . 1 1 48 48 SER CA C 48 49.403 49.403 57.975 -8.572 19433 8865 1 19 . 1 1 48 48 SER CB C 48 61.957 61.957 63.696 -1.739 19433 8866 1 19 . 1 1 48 48 SER H H 48 8.667 8.667 8.472 0.195 19433 8867 1 19 . 1 1 49 49 SER N N 49 119.169 119.169 121.559 -2.390 19433 8868 1 19 . 1 1 49 49 SER HA H 49 4.357 4.357 3.652 0.705 19433 8869 1 19 . 1 1 49 49 SER CA C 49 55.003 55.003 57.485 -2.482 19433 8870 1 19 . 1 1 49 49 SER CB C 49 61.708 61.708 62.897 -1.189 19433 8871 1 19 . 1 1 49 49 SER H H 49 8.644 8.644 7.802 0.842 19433 8872 1 19 . 1 1 50 50 ASP N N 50 120.389 120.389 122.602 -2.213 19433 8873 1 19 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.704 -0.259 19433 8874 1 19 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.418 -1.986 19433 8875 1 19 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.169 -2.047 19433 8876 1 19 . 1 1 50 50 ASP H H 50 8.743 8.743 9.135 -0.392 19433 8877 1 19 . 1 1 51 51 ALA N N 51 120.149 120.149 122.791 -2.642 19433 8878 1 19 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.652 -0.026 19433 8879 1 19 . 1 1 51 51 ALA CA C 51 48.702 48.702 52.418 -3.716 19433 8880 1 19 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.886 -2.690 19433 8881 1 19 . 1 1 51 51 ALA H H 51 8.178 8.178 7.337 0.841 19433 8882 1 19 . 1 1 52 52 GLY N N 52 106.575 106.575 108.710 -2.135 19433 8883 1 19 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.706 -2.839 19433 8884 1 19 . 1 1 52 52 GLY H H 52 8.465 8.465 8.786 -0.321 19433 8885 1 19 . 1 1 53 53 SER N N 53 111.247 111.247 113.223 -1.976 19433 8886 1 19 . 1 1 53 53 SER HA H 53 4.371 4.371 4.609 -0.238 19433 8887 1 19 . 1 1 53 53 SER CA C 53 55.270 55.270 57.068 -1.798 19433 8888 1 19 . 1 1 53 53 SER CB C 53 61.515 61.515 65.869 -4.354 19433 8889 1 19 . 1 1 53 53 SER H H 53 7.606 7.606 7.490 0.116 19433 8890 1 19 . 1 1 54 54 VAL N N 54 124.481 124.481 121.435 3.046 19433 8891 1 19 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.085 0.221 19433 8892 1 19 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.529 -1.754 19433 8893 1 19 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.004 -5.311 19433 8894 1 19 . 1 1 54 54 VAL H H 54 8.587 8.587 8.252 0.335 19433 8895 1 19 . 1 1 55 55 TYR N N 55 122.616 122.616 117.343 5.273 19433 8896 1 19 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.228 -0.047 19433 8897 1 19 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.769 -2.087 19433 8898 1 19 . 1 1 55 55 TYR CB C 55 36.877 36.877 40.245 -3.368 19433 8899 1 19 . 1 1 55 55 TYR H H 55 8.586 8.586 7.991 0.595 19433 8900 1 19 . 1 1 56 56 LYS N N 56 121.197 121.197 119.348 1.849 19433 8901 1 19 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.125 -0.369 19433 8902 1 19 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.362 -1.956 19433 8903 1 19 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.496 -4.023 19433 8904 1 19 . 1 1 56 56 LYS H H 56 7.276 7.276 7.442 -0.166 19433 8905 1 19 . 1 1 57 57 MET N N 57 122.040 122.040 120.077 1.963 19433 8906 1 19 . 1 1 57 57 MET HA H 57 5.440 5.440 5.256 0.184 19433 8907 1 19 . 1 1 57 57 MET CA C 57 52.893 52.893 55.561 -2.668 19433 8908 1 19 . 1 1 57 57 MET CB C 57 35.646 35.646 37.973 -2.327 19433 8909 1 19 . 1 1 57 57 MET H H 57 8.637 8.637 8.964 -0.327 19433 8910 1 19 . 1 1 58 58 ASP N N 58 125.086 125.086 124.669 0.417 19433 8911 1 19 . 1 1 58 58 ASP HA H 58 5.740 5.740 4.964 0.776 19433 8912 1 19 . 1 1 58 58 ASP CA C 58 50.784 50.784 52.673 -1.889 19433 8913 1 19 . 1 1 58 58 ASP CB C 58 42.339 42.339 43.182 -0.843 19433 8914 1 19 . 1 1 58 58 ASP H H 58 9.367 9.367 8.335 1.032 19433 8915 1 19 . 1 1 59 59 VAL N N 59 120.817 120.817 120.769 0.048 19433 8916 1 19 . 1 1 59 59 VAL HA H 59 5.058 5.058 5.103 -0.045 19433 8917 1 19 . 1 1 59 59 VAL CA C 59 58.103 58.103 59.752 -1.649 19433 8918 1 19 . 1 1 59 59 VAL CB C 59 33.782 33.782 34.356 -0.574 19433 8919 1 19 . 1 1 59 59 VAL H H 59 8.890 8.890 8.445 0.445 19433 8920 1 19 . 1 1 60 60 THR N N 60 120.028 120.028 119.455 0.573 19433 8921 1 19 . 1 1 60 60 THR HA H 60 5.125 5.125 4.942 0.183 19433 8922 1 19 . 1 1 60 60 THR CA C 60 56.923 56.923 61.505 -4.582 19433 8923 1 19 . 1 1 60 60 THR CB C 60 68.946 68.946 69.644 -0.698 19433 8924 1 19 . 1 1 60 60 THR H H 60 8.578 8.578 8.082 0.495 19433 8925 1 19 . 1 1 61 61 GLY N N 61 108.812 108.812 113.496 -4.684 19433 8926 1 19 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.961 -0.767 19433 8927 1 19 . 1 1 61 61 GLY H H 61 7.330 7.330 8.031 -0.701 19433 8928 1 19 . 1 1 62 62 THR N N 62 111.342 111.342 115.157 -3.815 19433 8929 1 19 . 1 1 62 62 THR HA H 62 5.333 5.333 5.252 0.081 19433 8930 1 19 . 1 1 62 62 THR CA C 62 57.514 57.514 61.017 -3.503 19433 8931 1 19 . 1 1 62 62 THR CB C 62 69.348 69.348 72.239 -2.891 19433 8932 1 19 . 1 1 62 62 THR H H 62 8.013 8.013 7.755 0.258 19433 8933 1 19 . 1 1 63 63 THR N N 63 115.003 115.003 115.226 -0.223 19433 8934 1 19 . 1 1 63 63 THR HA H 63 4.751 4.751 4.786 -0.035 19433 8935 1 19 . 1 1 63 63 THR CA C 63 58.700 58.700 60.666 -1.966 19433 8936 1 19 . 1 1 63 63 THR CB C 63 68.654 68.654 70.357 -1.703 19433 8937 1 19 . 1 1 63 63 THR H H 63 9.432 9.432 8.754 0.678 19433 8938 1 19 . 1 1 64 64 GLN N N 64 120.671 120.671 120.732 -0.061 19433 8939 1 19 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.016 -0.174 19433 8940 1 19 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.015 -2.743 19433 8941 1 19 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.485 -2.399 19433 8942 1 19 . 1 1 64 64 GLN H H 64 8.037 8.037 8.540 -0.503 19433 8943 1 19 . 1 1 65 65 SER N N 65 110.096 110.096 111.718 -1.622 19433 8944 1 19 . 1 1 65 65 SER HA H 65 4.351 4.351 4.317 0.034 19433 8945 1 19 . 1 1 65 65 SER CA C 65 55.577 55.577 59.153 -3.575 19433 8946 1 19 . 1 1 65 65 SER CB C 65 60.350 60.350 63.394 -3.044 19433 8947 1 19 . 1 1 65 65 SER H H 65 7.670 7.670 7.790 -0.120 19433 8948 1 19 . 1 1 66 66 GLY N N 66 109.466 109.466 109.779 -0.313 19433 8949 1 19 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.328 -2.679 19433 8950 1 19 . 1 1 66 66 GLY H H 66 7.810 7.810 7.542 0.269 19433 8951 1 19 . 1 1 67 67 GLU N N 67 121.149 121.149 122.075 -0.926 19433 8952 1 19 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.160 0.143 19433 8953 1 19 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.224 -2.305 19433 8954 1 19 . 1 1 67 67 GLU CB C 67 27.030 27.030 29.925 -2.895 19433 8955 1 19 . 1 1 67 67 GLU H H 67 7.518 7.518 7.797 -0.279 19433 8956 1 19 . 1 1 68 68 LYS N N 68 124.553 124.553 127.730 -3.177 19433 8957 1 19 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.796 0.090 19433 8958 1 19 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.967 -2.965 19433 8959 1 19 . 1 1 68 68 LYS CB C 68 31.499 31.499 33.504 -2.005 19433 8960 1 19 . 1 1 68 68 LYS H H 68 8.631 8.631 8.383 0.248 19433 8961 1 19 . 1 1 69 69 PHE N N 69 119.363 119.363 124.105 -4.742 19433 8962 1 19 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.020 0.142 19433 8963 1 19 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.865 -3.255 19433 8964 1 19 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.907 -2.376 19433 8965 1 19 . 1 1 69 69 PHE H H 69 8.180 8.180 8.461 -0.281 19433 8966 1 19 . 1 1 70 70 THR N N 70 113.468 113.468 111.260 2.208 19433 8967 1 19 . 1 1 70 70 THR HA H 70 5.331 5.331 5.166 0.165 19433 8968 1 19 . 1 1 70 70 THR CA C 70 57.694 57.694 59.644 -1.950 19433 8969 1 19 . 1 1 70 70 THR CB C 70 69.969 69.969 72.760 -2.791 19433 8970 1 19 . 1 1 70 70 THR H H 70 8.623 8.623 8.297 0.326 19433 8971 1 19 . 1 1 71 71 GLY N N 71 110.469 110.469 109.514 0.955 19433 8972 1 19 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.582 -1.824 19433 8973 1 19 . 1 1 71 71 GLY H H 71 8.955 8.955 7.900 1.055 19433 8974 1 19 . 1 1 72 72 HIS N N 72 121.565 121.565 118.969 2.596 19433 8975 1 19 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.276 1.010 19433 8976 1 19 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.875 -4.955 19433 8977 1 19 . 1 1 72 72 HIS CB C 72 28.409 28.409 27.293 1.117 19433 8978 1 19 . 1 1 72 72 HIS H H 72 8.162 8.162 7.937 0.225 19433 8979 1 19 . 1 1 73 73 PHE N N 73 122.114 122.114 123.814 -1.700 19433 8980 1 19 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.822 0.172 19433 8981 1 19 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.137 -3.135 19433 8982 1 19 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.173 -1.895 19433 8983 1 19 . 1 1 73 73 PHE H H 73 9.117 9.117 9.022 0.095 19433 8984 1 19 . 1 1 74 74 LYS N N 74 122.834 122.834 122.699 0.135 19433 8985 1 19 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.807 0.069 19433 8986 1 19 . 1 1 74 74 LYS CA C 74 52.801 52.801 54.822 -2.021 19433 8987 1 19 . 1 1 74 74 LYS CB C 74 32.741 32.741 34.527 -1.786 19433 8988 1 19 . 1 1 74 74 LYS H H 74 8.889 8.889 8.675 0.214 19433 8989 1 19 . 1 1 75 75 GLY N N 75 109.821 109.821 109.191 0.630 19433 8990 1 19 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.753 -1.518 19433 8991 1 19 . 1 1 75 75 GLY H H 75 8.418 8.418 8.478 -0.060 19433 8992 1 19 . 1 1 76 76 LEU N N 76 119.557 119.557 121.393 -1.836 19433 8993 1 19 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.484 -0.144 19433 8994 1 19 . 1 1 76 76 LEU CA C 76 52.374 52.374 55.184 -2.810 19433 8995 1 19 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.020 -2.361 19433 8996 1 19 . 1 1 76 76 LEU H H 76 7.893 7.893 8.047 -0.154 19433 8997 1 19 . 1 1 77 77 VAL N N 77 118.411 118.411 120.198 -1.787 19433 8998 1 19 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.416 -0.023 19433 8999 1 19 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.352 -1.907 19433 9000 1 19 . 1 1 77 77 VAL CB C 77 32.212 32.212 33.776 -1.564 19433 9001 1 19 . 1 1 77 77 VAL H H 77 8.583 8.583 8.567 0.016 19433 9002 1 19 . 1 1 78 78 GLY N N 78 111.284 111.284 110.363 0.921 19433 9003 1 19 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.355 -2.357 19433 9004 1 19 . 1 1 78 78 GLY H H 78 8.218 8.218 8.123 0.095 19433 9005 1 19 . 1 1 79 79 LYS N N 79 120.895 120.895 121.651 -0.756 19433 9006 1 19 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.270 0.007 19433 9007 1 19 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.531 -2.080 19433 9008 1 19 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.596 -2.319 19433 9009 1 19 . 1 1 79 79 LYS H H 79 8.347 8.347 8.473 -0.126 19433 9010 1 19 . 1 1 80 80 ASP N N 80 119.681 119.681 115.906 3.775 19433 9011 1 19 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.184 -0.377 19433 9012 1 19 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.235 -1.001 19433 9013 1 19 . 1 1 80 80 ASP CB C 80 39.024 39.024 44.102 -5.078 19433 9014 1 19 . 1 1 80 80 ASP H H 80 7.993 7.993 7.462 0.531 19433 9015 1 19 . 1 1 81 81 THR N N 81 118.659 118.659 113.816 4.843 19433 9016 1 19 . 1 1 81 81 THR HA H 81 4.076 4.076 4.553 -0.477 19433 9017 1 19 . 1 1 81 81 THR CA C 81 60.371 60.371 61.343 -0.973 19433 9018 1 19 . 1 1 81 81 THR CB C 81 67.694 67.694 71.117 -3.423 19433 9019 1 19 . 1 1 81 81 THR H H 81 8.002 8.002 8.536 -0.534 19433 9020 1 19 . 1 1 82 82 ARG N N 82 127.944 127.944 123.111 4.833 19433 9021 1 19 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.230 -0.633 19433 9022 1 19 . 1 1 82 82 ARG CA C 82 52.171 52.171 53.848 -1.677 19433 9023 1 19 . 1 1 82 82 ARG CB C 82 29.608 29.608 34.079 -4.471 19433 9024 1 19 . 1 1 82 82 ARG H H 82 8.183 8.183 8.313 -0.130 19433 9025 1 19 . 1 1 83 83 VAL N N 83 121.617 121.617 119.254 2.363 19433 9026 1 19 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.266 -0.202 19433 9027 1 19 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.903 -4.228 19433 9028 1 19 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.673 -4.358 19433 9029 1 19 . 1 1 83 83 VAL H H 83 8.639 8.639 8.249 0.390 19433 9030 1 19 . 1 1 84 84 PHE N N 84 124.702 124.702 126.766 -2.064 19433 9031 1 19 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.796 0.171 19433 9032 1 19 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.659 -0.860 19433 9033 1 19 . 1 1 84 84 PHE CB C 84 38.688 38.688 37.967 0.721 19433 9034 1 19 . 1 1 84 84 PHE H H 84 9.198 9.198 8.983 0.215 19433 9035 1 19 . 1 1 85 85 ILE N N 85 123.027 123.027 124.855 -1.828 19433 9036 1 19 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.238 0.209 19433 9037 1 19 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.678 -4.765 19433 9038 1 19 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.257 -1.387 19433 9039 1 19 . 1 1 85 85 ILE H H 85 8.650 8.650 7.872 0.778 19433 9040 1 19 . 1 1 86 86 GLU N N 86 124.137 124.137 123.333 0.804 19433 9041 1 19 . 1 1 86 86 GLU HA H 86 4.575 4.575 5.003 -0.428 19433 9042 1 19 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.113 -2.582 19433 9043 1 19 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.926 -1.399 19433 9044 1 19 . 1 1 86 86 GLU H H 86 8.754 8.754 7.950 0.804 19433 9045 1 19 . 1 1 87 87 LEU N N 87 120.087 120.087 120.618 -0.531 19433 9046 1 19 . 1 1 87 87 LEU HA H 87 4.861 4.861 4.795 0.066 19433 9047 1 19 . 1 1 87 87 LEU CA C 87 51.130 51.130 55.403 -4.273 19433 9048 1 19 . 1 1 87 87 LEU CB C 87 41.260 41.260 42.432 -1.172 19433 9049 1 19 . 1 1 87 87 LEU H H 87 8.394 8.394 8.584 -0.190 19433 9050 1 19 . 1 1 88 88 ASP N N 88 123.072 123.072 117.684 5.388 19433 9051 1 19 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.769 -0.110 19433 9052 1 19 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.698 -3.479 19433 9053 1 19 . 1 1 88 88 ASP CB C 88 39.107 39.107 42.934 -3.827 19433 9054 1 19 . 1 1 88 88 ASP H H 88 8.770 8.770 8.050 0.720 19433 9055 1 19 . 1 1 89 89 GLU N N 89 117.437 117.437 117.967 -0.530 19433 9056 1 19 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.979 0.097 19433 9057 1 19 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.658 -3.670 19433 9058 1 19 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.845 -2.683 19433 9059 1 19 . 1 1 89 89 GLU H H 89 9.033 9.033 8.811 0.222 19433 9060 1 19 . 1 1 90 90 ASN N N 90 118.824 118.824 118.149 0.675 19433 9061 1 19 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.809 -0.023 19433 9062 1 19 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.987 -2.817 19433 9063 1 19 . 1 1 90 90 ASN CB C 90 36.696 36.696 40.288 -3.591 19433 9064 1 19 . 1 1 90 90 ASN H H 90 8.351 8.351 8.244 0.107 19433 9065 1 19 . 1 1 91 91 ALA N N 91 118.167 118.167 122.165 -3.998 19433 9066 1 19 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.729 0.023 19433 9067 1 19 . 1 1 91 91 ALA CA C 91 51.255 51.255 52.914 -1.659 19433 9068 1 19 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.646 -3.728 19433 9069 1 19 . 1 1 91 91 ALA H H 91 8.284 8.284 7.833 0.451 19433 9070 1 19 . 1 1 92 92 ASP N N 92 118.574 118.574 119.548 -0.974 19433 9071 1 19 . 1 1 92 92 ASP HA H 92 4.932 4.932 5.010 -0.078 19433 9072 1 19 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.418 -2.602 19433 9073 1 19 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.974 -3.804 19433 9074 1 19 . 1 1 92 92 ASP H H 92 8.215 8.215 8.351 -0.136 19433 9075 1 19 . 1 1 93 93 VAL N N 93 121.604 121.604 119.853 1.751 19433 9076 1 19 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.403 -0.334 19433 9077 1 19 . 1 1 93 93 VAL CA C 93 60.454 60.454 61.759 -1.305 19433 9078 1 19 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.557 -2.569 19433 9079 1 19 . 1 1 93 93 VAL H H 93 8.440 8.440 8.436 0.004 19433 9080 1 19 . 1 1 94 94 GLN N N 94 125.344 125.344 124.441 0.903 19433 9081 1 19 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.802 -0.041 19433 9082 1 19 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.880 -2.566 19433 9083 1 19 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.970 -2.571 19433 9084 1 19 . 1 1 94 94 GLN H H 94 8.958 8.958 8.482 0.476 19433 9085 1 19 . 1 1 95 95 VAL N N 95 119.370 119.370 119.490 -0.120 19433 9086 1 19 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.534 0.527 19433 9087 1 19 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.575 -4.295 19433 9088 1 19 . 1 1 95 95 VAL CB C 95 30.926 30.926 32.938 -2.012 19433 9089 1 19 . 1 1 95 95 VAL H H 95 8.420 8.420 8.622 -0.202 19433 9090 1 19 . 1 1 96 96 PHE N N 96 126.219 126.219 128.593 -2.374 19433 9091 1 19 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.098 -0.066 19433 9092 1 19 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.478 -2.588 19433 9093 1 19 . 1 1 96 96 PHE CB C 96 40.503 40.503 44.013 -3.510 19433 9094 1 19 . 1 1 96 96 PHE H H 96 9.314 9.314 9.204 0.110 19433 9095 1 19 . 1 1 97 97 ILE N N 97 123.424 123.424 115.978 7.446 19433 9096 1 19 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.324 0.490 19433 9097 1 19 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.441 -2.375 19433 9098 1 19 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.776 -3.499 19433 9099 1 19 . 1 1 97 97 ILE H H 97 7.613 7.613 7.584 0.029 19433 9100 1 19 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.452 -0.182 19433 9101 1 19 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.796 -2.798 19433 9102 1 19 . 1 1 98 98 PRO CB C 98 29.657 29.657 30.343 -0.686 19433 9103 1 19 . 1 1 99 99 GLN N N 99 121.028 121.028 122.294 -1.266 19433 9104 1 19 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.510 -0.055 19433 9105 1 19 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.166 -1.546 19433 9106 1 19 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.335 -2.892 19433 9107 1 19 . 1 1 99 99 GLN H H 99 8.507 8.507 7.685 0.822 19433 9108 1 19 . 1 1 100 100 GLY N N 100 110.029 110.029 108.880 1.149 19433 9109 1 19 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.811 -3.183 19433 9110 1 19 . 1 1 100 100 GLY H H 100 8.356 8.356 8.739 -0.383 19433 9111 1 19 . 1 1 101 101 GLU N N 101 120.385 120.385 121.822 -1.437 19433 9112 1 19 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.387 -0.096 19433 9113 1 19 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.615 -1.864 19433 9114 1 19 . 1 1 101 101 GLU CB C 101 27.830 27.830 27.588 0.242 19433 9115 1 19 . 1 1 101 101 GLU H H 101 8.378 8.378 8.597 -0.219 19433 9116 1 19 . 1 1 102 102 ILE N N 102 120.838 120.838 117.035 3.803 19433 9117 1 19 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.507 -0.341 19433 9118 1 19 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.770 -2.402 19433 9119 1 19 . 1 1 102 102 ILE CB C 102 36.713 36.713 37.992 -1.279 19433 9120 1 19 . 1 1 102 102 ILE H H 102 8.168 8.168 7.601 0.567 19433 9121 1 20 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.541 -0.310 19433 9122 1 20 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.459 -0.926 19433 9123 1 20 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.925 -4.281 19433 9124 1 20 . 1 1 3 3 GLN N N 3 118.180 118.180 118.515 -0.335 19433 9125 1 20 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.201 0.067 19433 9126 1 20 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.191 -2.752 19433 9127 1 20 . 1 1 3 3 GLN H H 3 8.579 8.579 8.321 0.258 19433 9128 1 20 . 1 1 4 4 ASP N N 4 120.328 120.328 118.129 2.199 19433 9129 1 20 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.818 -0.321 19433 9130 1 20 . 1 1 4 4 ASP CA C 4 51.765 51.765 53.339 -1.574 19433 9131 1 20 . 1 1 4 4 ASP CB C 4 38.522 38.522 42.662 -4.140 19433 9132 1 20 . 1 1 4 4 ASP H H 4 8.061 8.061 8.032 0.029 19433 9133 1 20 . 1 1 5 5 GLY N N 5 109.114 109.114 112.110 -2.996 19433 9134 1 20 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.332 -2.302 19433 9135 1 20 . 1 1 5 5 GLY H H 5 8.322 8.322 8.270 0.052 19433 9136 1 20 . 1 1 6 6 LYS N N 6 120.397 120.397 119.948 0.449 19433 9137 1 20 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.467 -0.170 19433 9138 1 20 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.459 -3.140 19433 9139 1 20 . 1 1 6 6 LYS CB C 6 30.441 30.441 33.392 -2.951 19433 9140 1 20 . 1 1 6 6 LYS H H 6 8.030 8.030 8.237 -0.207 19433 9141 1 20 . 1 1 7 7 GLU N N 7 122.113 122.113 120.752 1.361 19433 9142 1 20 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.511 -0.216 19433 9143 1 20 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.895 -2.608 19433 9144 1 20 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.985 -3.228 19433 9145 1 20 . 1 1 7 7 GLU H H 7 8.464 8.464 7.984 0.480 19433 9146 1 20 . 1 1 8 8 THR N N 8 114.459 114.459 120.400 -5.941 19433 9147 1 20 . 1 1 8 8 THR HA H 8 4.543 4.543 4.646 -0.103 19433 9148 1 20 . 1 1 8 8 THR CA C 8 57.966 57.966 61.671 -3.705 19433 9149 1 20 . 1 1 8 8 THR CB C 8 68.123 68.123 69.776 -1.653 19433 9150 1 20 . 1 1 8 8 THR H H 8 7.984 7.984 8.422 -0.438 19433 9151 1 20 . 1 1 9 9 THR N N 9 116.229 116.229 115.769 0.460 19433 9152 1 20 . 1 1 9 9 THR HA H 9 4.584 4.584 4.632 -0.048 19433 9153 1 20 . 1 1 9 9 THR CA C 9 58.575 58.575 61.022 -2.447 19433 9154 1 20 . 1 1 9 9 THR CB C 9 67.866 67.866 70.405 -2.539 19433 9155 1 20 . 1 1 9 9 THR H H 9 8.140 8.140 8.107 0.033 19433 9156 1 20 . 1 1 10 10 THR N N 10 118.509 118.509 117.431 1.078 19433 9157 1 20 . 1 1 10 10 THR HA H 10 4.563 4.563 4.720 -0.157 19433 9158 1 20 . 1 1 10 10 THR CA C 10 59.364 59.364 61.993 -2.629 19433 9159 1 20 . 1 1 10 10 THR CB C 10 68.411 68.411 71.799 -3.388 19433 9160 1 20 . 1 1 10 10 THR H H 10 8.544 8.544 8.125 0.419 19433 9161 1 20 . 1 1 11 11 ILE N N 11 126.772 126.772 120.344 6.428 19433 9162 1 20 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.479 -0.455 19433 9163 1 20 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.814 -2.491 19433 9164 1 20 . 1 1 11 11 ILE CB C 11 36.340 36.340 42.177 -5.837 19433 9165 1 20 . 1 1 11 11 ILE H H 11 8.595 8.595 7.998 0.597 19433 9166 1 20 . 1 1 12 12 ARG N N 12 125.922 125.922 124.218 1.704 19433 9167 1 20 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.819 0.174 19433 9168 1 20 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.327 -3.437 19433 9169 1 20 . 1 1 12 12 ARG CB C 12 30.964 30.964 33.895 -2.931 19433 9170 1 20 . 1 1 12 12 ARG H H 12 8.031 8.031 8.203 -0.172 19433 9171 1 20 . 1 1 13 13 LEU N N 13 126.771 126.771 126.923 -0.152 19433 9172 1 20 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.712 0.231 19433 9173 1 20 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.098 -3.472 19433 9174 1 20 . 1 1 13 13 LEU CB C 13 42.033 42.033 44.185 -2.152 19433 9175 1 20 . 1 1 13 13 LEU H H 13 8.828 8.828 9.132 -0.304 19433 9176 1 20 . 1 1 14 14 ILE N N 14 123.438 123.438 122.535 0.903 19433 9177 1 20 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.566 -0.389 19433 9178 1 20 . 1 1 14 14 ILE CA C 14 58.514 58.514 59.982 -1.468 19433 9179 1 20 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.241 -1.574 19433 9180 1 20 . 1 1 14 14 ILE H H 14 8.847 8.847 8.816 0.031 19433 9181 1 20 . 1 1 15 15 ASN N N 15 123.130 123.130 124.937 -1.807 19433 9182 1 20 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.703 0.177 19433 9183 1 20 . 1 1 15 15 ASN CA C 15 48.668 48.668 53.502 -4.834 19433 9184 1 20 . 1 1 15 15 ASN CB C 15 34.821 34.821 39.035 -4.214 19433 9185 1 20 . 1 1 15 15 ASN H H 15 8.446 8.446 8.276 0.170 19433 9186 1 20 . 1 1 16 16 GLN N N 16 125.061 125.061 123.066 1.995 19433 9187 1 20 . 1 1 16 16 GLN HA H 16 4.531 4.531 4.159 0.372 19433 9188 1 20 . 1 1 16 16 GLN CA C 16 52.160 52.160 54.911 -2.751 19433 9189 1 20 . 1 1 16 16 GLN CB C 16 26.904 26.904 29.544 -2.640 19433 9190 1 20 . 1 1 16 16 GLN H H 16 9.063 9.063 8.132 0.931 19433 9191 1 20 . 1 1 17 17 THR N N 17 110.936 110.936 111.046 -0.110 19433 9192 1 20 . 1 1 17 17 THR HA H 17 4.415 4.415 4.208 0.207 19433 9193 1 20 . 1 1 17 17 THR CA C 17 58.240 58.240 59.026 -0.786 19433 9194 1 20 . 1 1 17 17 THR CB C 17 67.913 67.913 69.969 -2.056 19433 9195 1 20 . 1 1 17 17 THR H H 17 7.765 7.765 7.370 0.395 19433 9196 1 20 . 1 1 18 18 TYR N N 18 112.380 112.380 116.153 -3.773 19433 9197 1 20 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.705 -0.350 19433 9198 1 20 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.038 -1.009 19433 9199 1 20 . 1 1 18 18 TYR CB C 18 34.567 34.567 36.773 -2.206 19433 9200 1 20 . 1 1 18 18 TYR H H 18 6.950 6.950 7.938 -0.988 19433 9201 1 20 . 1 1 19 19 PHE N N 19 119.710 119.710 117.027 2.683 19433 9202 1 20 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.995 0.001 19433 9203 1 20 . 1 1 19 19 PHE CA C 19 52.010 52.010 55.001 -2.991 19433 9204 1 20 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.072 -1.601 19433 9205 1 20 . 1 1 19 19 PHE H H 19 8.014 8.014 6.964 1.050 19433 9206 1 20 . 1 1 20 20 ASN N N 20 117.921 117.921 117.319 0.602 19433 9207 1 20 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.262 -0.573 19433 9208 1 20 . 1 1 20 20 ASN CA C 20 52.037 52.037 51.917 0.120 19433 9209 1 20 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.857 -5.551 19433 9210 1 20 . 1 1 20 20 ASN H H 20 8.724 8.724 8.506 0.218 19433 9211 1 20 . 1 1 21 21 VAL N N 21 115.311 115.311 116.184 -0.873 19433 9212 1 20 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.839 0.045 19433 9213 1 20 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.956 -2.455 19433 9214 1 20 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.680 -3.835 19433 9215 1 20 . 1 1 21 21 VAL H H 21 8.186 8.186 8.625 -0.439 19433 9216 1 20 . 1 1 22 22 LYS N N 22 119.772 119.772 120.280 -0.508 19433 9217 1 20 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.781 0.221 19433 9218 1 20 . 1 1 22 22 LYS CA C 22 51.533 51.533 56.075 -4.542 19433 9219 1 20 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.745 0.520 19433 9220 1 20 . 1 1 22 22 LYS H H 22 9.331 9.331 8.355 0.976 19433 9221 1 20 . 1 1 23 23 ASN N N 23 116.781 116.781 115.102 1.679 19433 9222 1 20 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.785 -0.582 19433 9223 1 20 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.773 -1.841 19433 9224 1 20 . 1 1 23 23 ASN CB C 23 34.520 34.520 39.432 -4.912 19433 9225 1 20 . 1 1 23 23 ASN H H 23 8.573 8.573 8.221 0.352 19433 9226 1 20 . 1 1 24 24 ILE N N 24 118.303 118.303 123.052 -4.749 19433 9227 1 20 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.209 0.535 19433 9228 1 20 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.361 -3.817 19433 9229 1 20 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.041 -0.805 19433 9230 1 20 . 1 1 24 24 ILE H H 24 8.329 8.329 7.555 0.774 19433 9231 1 20 . 1 1 25 25 LYS N N 25 129.189 129.189 128.222 0.967 19433 9232 1 20 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.762 0.124 19433 9233 1 20 . 1 1 25 25 LYS CA C 25 52.761 52.761 56.776 -4.015 19433 9234 1 20 . 1 1 25 25 LYS CB C 25 31.647 31.647 34.014 -2.367 19433 9235 1 20 . 1 1 25 25 LYS H H 25 9.102 9.102 8.710 0.392 19433 9236 1 20 . 1 1 26 26 VAL N N 26 129.283 129.283 123.439 5.844 19433 9237 1 20 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.679 0.287 19433 9238 1 20 . 1 1 26 26 VAL CA C 26 58.099 58.099 59.928 -1.829 19433 9239 1 20 . 1 1 26 26 VAL CB C 26 31.370 31.370 36.334 -4.964 19433 9240 1 20 . 1 1 26 26 VAL H H 26 9.057 9.057 8.879 0.178 19433 9241 1 20 . 1 1 27 27 THR N N 27 120.185 120.185 122.565 -2.380 19433 9242 1 20 . 1 1 27 27 THR HA H 27 5.542 5.542 5.440 0.102 19433 9243 1 20 . 1 1 27 27 THR CA C 27 56.977 56.977 61.607 -4.630 19433 9244 1 20 . 1 1 27 27 THR CB C 27 68.220 68.220 71.207 -2.987 19433 9245 1 20 . 1 1 27 27 THR H H 27 9.177 9.177 8.213 0.964 19433 9246 1 20 . 1 1 28 28 TRP N N 28 123.046 123.046 122.429 0.617 19433 9247 1 20 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.420 -0.030 19433 9248 1 20 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.737 -2.120 19433 9249 1 20 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.353 -1.391 19433 9250 1 20 . 1 1 28 28 TRP H H 28 8.787 8.787 7.896 0.891 19433 9251 1 20 . 1 1 29 29 ASN N N 29 116.792 116.792 116.845 -0.053 19433 9252 1 20 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.629 -1.213 19433 9253 1 20 . 1 1 29 29 ASN CA C 29 51.265 51.265 53.341 -2.076 19433 9254 1 20 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.948 -7.769 19433 9255 1 20 . 1 1 29 29 ASN H H 29 8.193 8.193 7.702 0.491 19433 9256 1 20 . 1 1 30 30 ASP N N 30 118.710 118.710 120.230 -1.520 19433 9257 1 20 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.613 -0.096 19433 9258 1 20 . 1 1 30 30 ASP CA C 30 51.462 51.462 53.973 -2.511 19433 9259 1 20 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.762 -3.264 19433 9260 1 20 . 1 1 30 30 ASP H H 30 8.937 8.937 8.396 0.541 19433 9261 1 20 . 1 1 31 31 GLY N N 31 106.542 106.542 113.270 -6.728 19433 9262 1 20 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.720 -1.254 19433 9263 1 20 . 1 1 31 31 GLY H H 31 7.594 7.594 8.058 -0.464 19433 9264 1 20 . 1 1 32 32 LYS N N 32 121.904 121.904 120.984 0.920 19433 9265 1 20 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.263 -0.374 19433 9266 1 20 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.087 -2.262 19433 9267 1 20 . 1 1 32 32 LYS CB C 32 28.130 28.130 33.566 -5.436 19433 9268 1 20 . 1 1 32 32 LYS H H 32 7.510 7.510 7.581 -0.071 19433 9269 1 20 . 1 1 33 33 GLU N N 33 119.124 119.124 122.863 -3.739 19433 9270 1 20 . 1 1 33 33 GLU HA H 33 5.280 5.280 5.241 0.039 19433 9271 1 20 . 1 1 33 33 GLU CA C 33 52.331 52.331 55.194 -2.863 19433 9272 1 20 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.470 -1.761 19433 9273 1 20 . 1 1 33 33 GLU H H 33 7.843 7.843 8.302 -0.459 19433 9274 1 20 . 1 1 34 34 GLN N N 34 123.230 123.230 123.678 -0.448 19433 9275 1 20 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.884 -0.461 19433 9276 1 20 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.746 -2.449 19433 9277 1 20 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.721 -2.479 19433 9278 1 20 . 1 1 34 34 GLN H H 34 9.114 9.114 8.880 0.234 19433 9279 1 20 . 1 1 35 35 THR N N 35 119.194 119.194 111.480 7.714 19433 9280 1 20 . 1 1 35 35 THR HA H 35 5.241 5.241 5.281 -0.040 19433 9281 1 20 . 1 1 35 35 THR CA C 35 58.075 58.075 59.521 -1.446 19433 9282 1 20 . 1 1 35 35 THR CB C 35 67.936 67.936 71.817 -3.881 19433 9283 1 20 . 1 1 35 35 THR H H 35 8.397 8.397 8.171 0.226 19433 9284 1 20 . 1 1 36 36 VAL N N 36 126.317 126.317 123.855 2.462 19433 9285 1 20 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.020 0.146 19433 9286 1 20 . 1 1 36 36 VAL CA C 36 58.296 58.296 62.122 -3.826 19433 9287 1 20 . 1 1 36 36 VAL CB C 36 31.785 31.785 32.986 -1.201 19433 9288 1 20 . 1 1 36 36 VAL H H 36 8.976 8.976 8.487 0.489 19433 9289 1 20 . 1 1 37 37 ASN N N 37 126.536 126.536 125.900 0.636 19433 9290 1 20 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.446 -0.085 19433 9291 1 20 . 1 1 37 37 ASN CA C 37 55.094 55.094 56.105 -1.011 19433 9292 1 20 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.622 -2.868 19433 9293 1 20 . 1 1 37 37 ASN H H 37 8.974 8.974 8.837 0.137 19433 9294 1 20 . 1 1 38 38 THR N N 38 112.460 112.460 113.326 -0.866 19433 9295 1 20 . 1 1 38 38 THR HA H 38 4.850 4.850 4.773 0.077 19433 9296 1 20 . 1 1 38 38 THR CA C 38 58.536 58.536 61.668 -3.132 19433 9297 1 20 . 1 1 38 38 THR CB C 38 69.085 69.085 71.770 -2.685 19433 9298 1 20 . 1 1 38 38 THR H H 38 7.762 7.762 7.780 -0.018 19433 9299 1 20 . 1 1 39 39 LEU N N 39 126.316 126.316 124.894 1.422 19433 9300 1 20 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.804 -0.261 19433 9301 1 20 . 1 1 39 39 LEU CA C 39 51.785 51.785 52.521 -0.736 19433 9302 1 20 . 1 1 39 39 LEU CB C 39 42.341 42.341 44.551 -2.210 19433 9303 1 20 . 1 1 39 39 LEU H H 39 8.572 8.572 9.212 -0.640 19433 9304 1 20 . 1 1 40 40 GLY N N 40 116.669 116.669 112.555 4.114 19433 9305 1 20 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.508 -2.243 19433 9306 1 20 . 1 1 40 40 GLY H H 40 9.303 9.303 8.447 0.857 19433 9307 1 20 . 1 1 41 41 SER N N 41 113.384 113.384 115.890 -2.506 19433 9308 1 20 . 1 1 41 41 SER HA H 41 3.612 3.612 4.423 -0.811 19433 9309 1 20 . 1 1 41 41 SER CA C 41 56.211 56.211 59.012 -2.801 19433 9310 1 20 . 1 1 41 41 SER CB C 41 60.482 60.482 62.930 -2.448 19433 9311 1 20 . 1 1 41 41 SER H H 41 7.883 7.883 8.462 -0.579 19433 9312 1 20 . 1 1 42 42 HIS N N 42 120.045 120.045 118.887 1.158 19433 9313 1 20 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.340 0.092 19433 9314 1 20 . 1 1 42 42 HIS CA C 42 55.004 55.004 56.959 -1.955 19433 9315 1 20 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.383 -4.938 19433 9316 1 20 . 1 1 42 42 HIS H H 42 7.882 7.882 8.935 -1.054 19433 9317 1 20 . 1 1 43 43 ASP N N 43 119.308 119.308 118.765 0.543 19433 9318 1 20 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.830 0.207 19433 9319 1 20 . 1 1 43 43 ASP CA C 43 50.078 50.078 54.695 -4.617 19433 9320 1 20 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.867 -2.158 19433 9321 1 20 . 1 1 43 43 ASP H H 43 7.906 7.906 7.829 0.077 19433 9322 1 20 . 1 1 44 44 SER N N 44 111.544 111.544 113.244 -1.700 19433 9323 1 20 . 1 1 44 44 SER HA H 44 5.617 5.617 5.482 0.135 19433 9324 1 20 . 1 1 44 44 SER CA C 44 53.597 53.597 56.689 -3.092 19433 9325 1 20 . 1 1 44 44 SER CB C 44 65.207 65.207 66.959 -1.752 19433 9326 1 20 . 1 1 44 44 SER H H 44 8.396 8.396 8.352 0.044 19433 9327 1 20 . 1 1 45 45 ILE N N 45 119.898 119.898 120.336 -0.438 19433 9328 1 20 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.635 -0.125 19433 9329 1 20 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.484 -3.444 19433 9330 1 20 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.573 -3.327 19433 9331 1 20 . 1 1 45 45 ILE H H 45 8.726 8.726 8.849 -0.123 19433 9332 1 20 . 1 1 46 46 ASP N N 46 123.866 123.866 124.221 -0.355 19433 9333 1 20 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.423 0.098 19433 9334 1 20 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.505 -3.132 19433 9335 1 20 . 1 1 46 46 ASP CB C 46 40.812 40.812 43.103 -2.291 19433 9336 1 20 . 1 1 46 46 ASP H H 46 7.891 7.891 8.283 -0.392 19433 9337 1 20 . 1 1 47 47 PHE N N 47 116.649 116.649 117.236 -0.587 19433 9338 1 20 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.833 -0.060 19433 9339 1 20 . 1 1 47 47 PHE CA C 47 53.088 53.088 56.152 -3.064 19433 9340 1 20 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.219 -3.479 19433 9341 1 20 . 1 1 47 47 PHE H H 47 8.654 8.654 8.190 0.464 19433 9342 1 20 . 1 1 48 48 SER N N 48 114.033 114.033 117.842 -3.809 19433 9343 1 20 . 1 1 48 48 SER HA H 48 4.729 4.729 4.331 0.398 19433 9344 1 20 . 1 1 48 48 SER CA C 48 49.403 49.403 58.830 -9.427 19433 9345 1 20 . 1 1 48 48 SER CB C 48 61.957 61.957 63.885 -1.928 19433 9346 1 20 . 1 1 48 48 SER H H 48 8.667 8.667 8.362 0.305 19433 9347 1 20 . 1 1 49 49 SER N N 49 119.169 119.169 120.489 -1.320 19433 9348 1 20 . 1 1 49 49 SER HA H 49 4.357 4.357 4.184 0.173 19433 9349 1 20 . 1 1 49 49 SER CA C 49 55.003 55.003 58.136 -3.132 19433 9350 1 20 . 1 1 49 49 SER CB C 49 61.708 61.708 64.555 -2.846 19433 9351 1 20 . 1 1 49 49 SER H H 49 8.644 8.644 8.799 -0.155 19433 9352 1 20 . 1 1 50 50 ASP N N 50 120.389 120.389 120.636 -0.247 19433 9353 1 20 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.900 -0.455 19433 9354 1 20 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.510 -2.078 19433 9355 1 20 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.448 -2.326 19433 9356 1 20 . 1 1 50 50 ASP H H 50 8.743 8.743 9.006 -0.263 19433 9357 1 20 . 1 1 51 51 ALA N N 51 120.149 120.149 124.388 -4.239 19433 9358 1 20 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.660 -0.034 19433 9359 1 20 . 1 1 51 51 ALA CA C 51 48.702 48.702 52.883 -4.181 19433 9360 1 20 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.300 -2.104 19433 9361 1 20 . 1 1 51 51 ALA H H 51 8.178 8.178 7.945 0.233 19433 9362 1 20 . 1 1 52 52 GLY N N 52 106.575 106.575 108.918 -2.343 19433 9363 1 20 . 1 1 52 52 GLY CA C 52 42.867 42.867 46.477 -3.610 19433 9364 1 20 . 1 1 52 52 GLY H H 52 8.465 8.465 8.496 -0.031 19433 9365 1 20 . 1 1 53 53 SER N N 53 111.247 111.247 115.175 -3.928 19433 9366 1 20 . 1 1 53 53 SER HA H 53 4.371 4.371 4.639 -0.268 19433 9367 1 20 . 1 1 53 53 SER CA C 53 55.270 55.270 57.218 -1.948 19433 9368 1 20 . 1 1 53 53 SER CB C 53 61.515 61.515 66.367 -4.852 19433 9369 1 20 . 1 1 53 53 SER H H 53 7.606 7.606 7.656 -0.050 19433 9370 1 20 . 1 1 54 54 VAL N N 54 124.481 124.481 121.043 3.438 19433 9371 1 20 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.169 0.137 19433 9372 1 20 . 1 1 54 54 VAL CA C 54 59.775 59.775 60.982 -1.207 19433 9373 1 20 . 1 1 54 54 VAL CB C 54 29.693 29.693 35.464 -5.771 19433 9374 1 20 . 1 1 54 54 VAL H H 54 8.587 8.587 8.532 0.055 19433 9375 1 20 . 1 1 55 55 TYR N N 55 122.616 122.616 119.357 3.259 19433 9376 1 20 . 1 1 55 55 TYR HA H 55 5.181 5.181 4.957 0.224 19433 9377 1 20 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.411 -1.729 19433 9378 1 20 . 1 1 55 55 TYR CB C 55 36.877 36.877 38.864 -1.987 19433 9379 1 20 . 1 1 55 55 TYR H H 55 8.586 8.586 8.537 0.049 19433 9380 1 20 . 1 1 56 56 LYS N N 56 121.197 121.197 118.988 2.209 19433 9381 1 20 . 1 1 56 56 LYS HA H 56 4.756 4.756 5.143 -0.387 19433 9382 1 20 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.405 -1.999 19433 9383 1 20 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.535 -4.061 19433 9384 1 20 . 1 1 56 56 LYS H H 56 7.276 7.276 7.682 -0.406 19433 9385 1 20 . 1 1 57 57 MET N N 57 122.040 122.040 121.746 0.294 19433 9386 1 20 . 1 1 57 57 MET HA H 57 5.440 5.440 5.233 0.207 19433 9387 1 20 . 1 1 57 57 MET CA C 57 52.893 52.893 56.212 -3.319 19433 9388 1 20 . 1 1 57 57 MET CB C 57 35.646 35.646 36.601 -0.955 19433 9389 1 20 . 1 1 57 57 MET H H 57 8.637 8.637 9.188 -0.551 19433 9390 1 20 . 1 1 58 58 ASP N N 58 125.086 125.086 130.013 -4.927 19433 9391 1 20 . 1 1 58 58 ASP HA H 58 5.740 5.740 4.986 0.754 19433 9392 1 20 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.427 -2.643 19433 9393 1 20 . 1 1 58 58 ASP CB C 58 42.339 42.339 40.671 1.668 19433 9394 1 20 . 1 1 58 58 ASP H H 58 9.367 9.367 8.431 0.936 19433 9395 1 20 . 1 1 59 59 VAL N N 59 120.817 120.817 124.095 -3.278 19433 9396 1 20 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.321 0.737 19433 9397 1 20 . 1 1 59 59 VAL CA C 59 58.103 58.103 62.412 -4.309 19433 9398 1 20 . 1 1 59 59 VAL CB C 59 33.782 33.782 32.313 1.468 19433 9399 1 20 . 1 1 59 59 VAL H H 59 8.890 8.890 7.855 1.035 19433 9400 1 20 . 1 1 60 60 THR N N 60 120.028 120.028 120.060 -0.032 19433 9401 1 20 . 1 1 60 60 THR HA H 60 5.125 5.125 4.937 0.188 19433 9402 1 20 . 1 1 60 60 THR CA C 60 56.923 56.923 60.578 -3.655 19433 9403 1 20 . 1 1 60 60 THR CB C 60 68.946 68.946 70.297 -1.351 19433 9404 1 20 . 1 1 60 60 THR H H 60 8.578 8.578 8.510 0.068 19433 9405 1 20 . 1 1 61 61 GLY N N 61 108.812 108.812 113.087 -4.275 19433 9406 1 20 . 1 1 61 61 GLY CA C 61 43.194 43.194 44.106 -0.912 19433 9407 1 20 . 1 1 61 61 GLY H H 61 7.330 7.330 7.786 -0.456 19433 9408 1 20 . 1 1 62 62 THR N N 62 111.342 111.342 114.805 -3.463 19433 9409 1 20 . 1 1 62 62 THR HA H 62 5.333 5.333 5.259 0.074 19433 9410 1 20 . 1 1 62 62 THR CA C 62 57.514 57.514 60.433 -2.919 19433 9411 1 20 . 1 1 62 62 THR CB C 62 69.348 69.348 72.020 -2.672 19433 9412 1 20 . 1 1 62 62 THR H H 62 8.013 8.013 7.913 0.100 19433 9413 1 20 . 1 1 63 63 THR N N 63 115.003 115.003 115.915 -0.912 19433 9414 1 20 . 1 1 63 63 THR HA H 63 4.751 4.751 4.350 0.401 19433 9415 1 20 . 1 1 63 63 THR CA C 63 58.700 58.700 61.040 -2.340 19433 9416 1 20 . 1 1 63 63 THR CB C 63 68.654 68.654 70.460 -1.806 19433 9417 1 20 . 1 1 63 63 THR H H 63 9.432 9.432 8.860 0.572 19433 9418 1 20 . 1 1 64 64 GLN N N 64 120.671 120.671 121.350 -0.679 19433 9419 1 20 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.012 -0.170 19433 9420 1 20 . 1 1 64 64 GLN CA C 64 56.272 56.272 59.388 -3.115 19433 9421 1 20 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.370 -2.284 19433 9422 1 20 . 1 1 64 64 GLN H H 64 8.037 8.037 8.794 -0.757 19433 9423 1 20 . 1 1 65 65 SER N N 65 110.096 110.096 113.885 -3.789 19433 9424 1 20 . 1 1 65 65 SER HA H 65 4.351 4.351 4.377 -0.026 19433 9425 1 20 . 1 1 65 65 SER CA C 65 55.577 55.577 57.405 -1.828 19433 9426 1 20 . 1 1 65 65 SER CB C 65 60.350 60.350 62.705 -2.355 19433 9427 1 20 . 1 1 65 65 SER H H 65 7.670 7.670 7.693 -0.023 19433 9428 1 20 . 1 1 66 66 GLY N N 66 109.466 109.466 108.959 0.507 19433 9429 1 20 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.716 -3.066 19433 9430 1 20 . 1 1 66 66 GLY H H 66 7.810 7.810 7.750 0.060 19433 9431 1 20 . 1 1 67 67 GLU N N 67 121.149 121.149 121.271 -0.122 19433 9432 1 20 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.359 -0.056 19433 9433 1 20 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.230 -2.311 19433 9434 1 20 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.031 -4.001 19433 9435 1 20 . 1 1 67 67 GLU H H 67 7.518 7.518 7.613 -0.095 19433 9436 1 20 . 1 1 68 68 LYS N N 68 124.553 124.553 124.330 0.223 19433 9437 1 20 . 1 1 68 68 LYS HA H 68 4.886 4.886 5.010 -0.124 19433 9438 1 20 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.014 -2.012 19433 9439 1 20 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.403 -2.904 19433 9440 1 20 . 1 1 68 68 LYS H H 68 8.631 8.631 8.457 0.174 19433 9441 1 20 . 1 1 69 69 PHE N N 69 119.363 119.363 121.008 -1.645 19433 9442 1 20 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.044 0.118 19433 9443 1 20 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.878 -3.268 19433 9444 1 20 . 1 1 69 69 PHE CB C 69 39.531 39.531 42.344 -2.813 19433 9445 1 20 . 1 1 69 69 PHE H H 69 8.180 8.180 8.448 -0.268 19433 9446 1 20 . 1 1 70 70 THR N N 70 113.468 113.468 112.652 0.816 19433 9447 1 20 . 1 1 70 70 THR HA H 70 5.331 5.331 4.821 0.510 19433 9448 1 20 . 1 1 70 70 THR CA C 70 57.694 57.694 60.325 -2.631 19433 9449 1 20 . 1 1 70 70 THR CB C 70 69.969 69.969 72.421 -2.453 19433 9450 1 20 . 1 1 70 70 THR H H 70 8.623 8.623 8.433 0.190 19433 9451 1 20 . 1 1 71 71 GLY N N 71 110.469 110.469 108.588 1.881 19433 9452 1 20 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.064 -1.306 19433 9453 1 20 . 1 1 71 71 GLY H H 71 8.955 8.955 8.218 0.737 19433 9454 1 20 . 1 1 72 72 HIS N N 72 121.565 121.565 117.595 3.970 19433 9455 1 20 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.213 1.073 19433 9456 1 20 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.394 -4.474 19433 9457 1 20 . 1 1 72 72 HIS CB C 72 28.409 28.409 26.376 2.033 19433 9458 1 20 . 1 1 72 72 HIS H H 72 8.162 8.162 7.724 0.438 19433 9459 1 20 . 1 1 73 73 PHE N N 73 122.114 122.114 120.778 1.336 19433 9460 1 20 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.746 0.248 19433 9461 1 20 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.444 -3.442 19433 9462 1 20 . 1 1 73 73 PHE CB C 73 40.278 40.278 40.516 -0.238 19433 9463 1 20 . 1 1 73 73 PHE H H 73 9.117 9.117 8.276 0.841 19433 9464 1 20 . 1 1 74 74 LYS N N 74 122.834 122.834 120.575 2.259 19433 9465 1 20 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.653 0.223 19433 9466 1 20 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.517 -2.716 19433 9467 1 20 . 1 1 74 74 LYS CB C 74 32.741 32.741 36.255 -3.514 19433 9468 1 20 . 1 1 74 74 LYS H H 74 8.889 8.889 8.411 0.478 19433 9469 1 20 . 1 1 75 75 GLY N N 75 109.821 109.821 107.855 1.966 19433 9470 1 20 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.978 -1.743 19433 9471 1 20 . 1 1 75 75 GLY H H 75 8.418 8.418 8.269 0.149 19433 9472 1 20 . 1 1 76 76 LEU N N 76 119.557 119.557 119.169 0.388 19433 9473 1 20 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.630 -0.290 19433 9474 1 20 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.690 -2.316 19433 9475 1 20 . 1 1 76 76 LEU CB C 76 39.659 39.659 42.895 -3.236 19433 9476 1 20 . 1 1 76 76 LEU H H 76 7.893 7.893 8.039 -0.146 19433 9477 1 20 . 1 1 77 77 VAL N N 77 118.411 118.411 117.080 1.331 19433 9478 1 20 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.784 -0.391 19433 9479 1 20 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.616 -2.171 19433 9480 1 20 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.524 -2.312 19433 9481 1 20 . 1 1 77 77 VAL H H 77 8.583 8.583 8.254 0.329 19433 9482 1 20 . 1 1 78 78 GLY N N 78 111.284 111.284 110.075 1.209 19433 9483 1 20 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.980 -2.982 19433 9484 1 20 . 1 1 78 78 GLY H H 78 8.218 8.218 8.388 -0.170 19433 9485 1 20 . 1 1 79 79 LYS N N 79 120.895 120.895 121.918 -1.023 19433 9486 1 20 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.641 -0.364 19433 9487 1 20 . 1 1 79 79 LYS CA C 79 54.451 54.451 55.205 -0.754 19433 9488 1 20 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.959 -2.682 19433 9489 1 20 . 1 1 79 79 LYS H H 79 8.347 8.347 8.490 -0.143 19433 9490 1 20 . 1 1 80 80 ASP N N 80 119.681 119.681 118.222 1.459 19433 9491 1 20 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.095 -0.288 19433 9492 1 20 . 1 1 80 80 ASP CA C 80 51.234 51.234 53.305 -2.071 19433 9493 1 20 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.593 -4.569 19433 9494 1 20 . 1 1 80 80 ASP H H 80 7.993 7.993 7.860 0.133 19433 9495 1 20 . 1 1 81 81 THR N N 81 118.659 118.659 114.320 4.339 19433 9496 1 20 . 1 1 81 81 THR HA H 81 4.076 4.076 4.596 -0.520 19433 9497 1 20 . 1 1 81 81 THR CA C 81 60.371 60.371 60.827 -0.456 19433 9498 1 20 . 1 1 81 81 THR CB C 81 67.694 67.694 71.704 -4.010 19433 9499 1 20 . 1 1 81 81 THR H H 81 8.002 8.002 8.062 -0.060 19433 9500 1 20 . 1 1 82 82 ARG N N 82 127.944 127.944 120.578 7.366 19433 9501 1 20 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.351 -0.754 19433 9502 1 20 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.458 -2.287 19433 9503 1 20 . 1 1 82 82 ARG CB C 82 29.608 29.608 34.331 -4.723 19433 9504 1 20 . 1 1 82 82 ARG H H 82 8.183 8.183 8.301 -0.118 19433 9505 1 20 . 1 1 83 83 VAL N N 83 121.617 121.617 119.316 2.301 19433 9506 1 20 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.261 -0.197 19433 9507 1 20 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.917 -4.242 19433 9508 1 20 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.713 -4.398 19433 9509 1 20 . 1 1 83 83 VAL H H 83 8.639 8.639 8.352 0.287 19433 9510 1 20 . 1 1 84 84 PHE N N 84 124.702 124.702 126.848 -2.146 19433 9511 1 20 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.880 0.087 19433 9512 1 20 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.609 -0.810 19433 9513 1 20 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.723 -0.035 19433 9514 1 20 . 1 1 84 84 PHE H H 84 9.198 9.198 8.898 0.300 19433 9515 1 20 . 1 1 85 85 ILE N N 85 123.027 123.027 125.143 -2.116 19433 9516 1 20 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.166 0.281 19433 9517 1 20 . 1 1 85 85 ILE CA C 85 57.913 57.913 61.860 -3.947 19433 9518 1 20 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.250 -1.380 19433 9519 1 20 . 1 1 85 85 ILE H H 85 8.650 8.650 8.374 0.276 19433 9520 1 20 . 1 1 86 86 GLU N N 86 124.137 124.137 124.363 -0.226 19433 9521 1 20 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.612 -0.037 19433 9522 1 20 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.677 -3.146 19433 9523 1 20 . 1 1 86 86 GLU CB C 86 31.527 31.527 32.305 -0.778 19433 9524 1 20 . 1 1 86 86 GLU H H 86 8.754 8.754 7.989 0.765 19433 9525 1 20 . 1 1 87 87 LEU N N 87 120.087 120.087 119.689 0.398 19433 9526 1 20 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.200 -0.339 19433 9527 1 20 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.032 -2.902 19433 9528 1 20 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.715 -2.455 19433 9529 1 20 . 1 1 87 87 LEU H H 87 8.394 8.394 8.399 -0.005 19433 9530 1 20 . 1 1 88 88 ASP N N 88 123.072 123.072 119.368 3.704 19433 9531 1 20 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.872 -0.213 19433 9532 1 20 . 1 1 88 88 ASP CA C 88 49.219 49.219 52.802 -3.583 19433 9533 1 20 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.405 -4.298 19433 9534 1 20 . 1 1 88 88 ASP H H 88 8.770 8.770 8.455 0.315 19433 9535 1 20 . 1 1 89 89 GLU N N 89 117.437 117.437 117.023 0.414 19433 9536 1 20 . 1 1 89 89 GLU HA H 89 4.076 4.076 3.981 0.095 19433 9537 1 20 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.280 -3.292 19433 9538 1 20 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.954 -2.792 19433 9539 1 20 . 1 1 89 89 GLU H H 89 9.033 9.033 8.810 0.223 19433 9540 1 20 . 1 1 90 90 ASN N N 90 118.824 118.824 117.847 0.977 19433 9541 1 20 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.838 -0.052 19433 9542 1 20 . 1 1 90 90 ASN CA C 90 50.170 50.170 53.063 -2.893 19433 9543 1 20 . 1 1 90 90 ASN CB C 90 36.696 36.696 40.477 -3.781 19433 9544 1 20 . 1 1 90 90 ASN H H 90 8.351 8.351 8.288 0.063 19433 9545 1 20 . 1 1 91 91 ALA N N 91 118.167 118.167 122.118 -3.951 19433 9546 1 20 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.893 -0.141 19433 9547 1 20 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.056 -1.801 19433 9548 1 20 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.661 -3.743 19433 9549 1 20 . 1 1 91 91 ALA H H 91 8.284 8.284 7.855 0.429 19433 9550 1 20 . 1 1 92 92 ASP N N 92 118.574 118.574 118.626 -0.052 19433 9551 1 20 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.835 0.097 19433 9552 1 20 . 1 1 92 92 ASP CA C 92 50.816 50.816 54.203 -3.387 19433 9553 1 20 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.849 -3.679 19433 9554 1 20 . 1 1 92 92 ASP H H 92 8.215 8.215 8.269 -0.054 19433 9555 1 20 . 1 1 93 93 VAL N N 93 121.604 121.604 121.855 -0.251 19433 9556 1 20 . 1 1 93 93 VAL HA H 93 4.069 4.069 3.927 0.142 19433 9557 1 20 . 1 1 93 93 VAL CA C 93 60.454 60.454 63.306 -2.852 19433 9558 1 20 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.435 -2.447 19433 9559 1 20 . 1 1 93 93 VAL H H 93 8.440 8.440 8.330 0.110 19433 9560 1 20 . 1 1 94 94 GLN N N 94 125.344 125.344 126.622 -1.278 19433 9561 1 20 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.863 -0.102 19433 9562 1 20 . 1 1 94 94 GLN CA C 94 50.314 50.314 52.953 -2.639 19433 9563 1 20 . 1 1 94 94 GLN CB C 94 29.399 29.399 32.059 -2.660 19433 9564 1 20 . 1 1 94 94 GLN H H 94 8.958 8.958 7.942 1.016 19433 9565 1 20 . 1 1 95 95 VAL N N 95 119.370 119.370 117.945 1.425 19433 9566 1 20 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.555 0.506 19433 9567 1 20 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.331 -4.051 19433 9568 1 20 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.526 -3.600 19433 9569 1 20 . 1 1 95 95 VAL H H 95 8.420 8.420 8.521 -0.101 19433 9570 1 20 . 1 1 96 96 PHE N N 96 126.219 126.219 126.321 -0.102 19433 9571 1 20 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.122 -0.090 19433 9572 1 20 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.602 -2.712 19433 9573 1 20 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.690 -3.187 19433 9574 1 20 . 1 1 96 96 PHE H H 96 9.314 9.314 9.194 0.120 19433 9575 1 20 . 1 1 97 97 ILE N N 97 123.424 123.424 114.756 8.668 19433 9576 1 20 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.138 0.676 19433 9577 1 20 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.174 -2.108 19433 9578 1 20 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.529 -3.252 19433 9579 1 20 . 1 1 97 97 ILE H H 97 7.613 7.613 6.909 0.704 19433 9580 1 20 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.354 -0.084 19433 9581 1 20 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.694 -2.696 19433 9582 1 20 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.328 -1.671 19433 9583 1 20 . 1 1 99 99 GLN N N 99 121.028 121.028 122.642 -1.614 19433 9584 1 20 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.403 0.052 19433 9585 1 20 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.704 -2.084 19433 9586 1 20 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.592 -3.149 19433 9587 1 20 . 1 1 99 99 GLN H H 99 8.507 8.507 8.155 0.352 19433 9588 1 20 . 1 1 100 100 GLY N N 100 110.029 110.029 109.899 0.130 19433 9589 1 20 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.264 -2.635 19433 9590 1 20 . 1 1 100 100 GLY H H 100 8.356 8.356 8.539 -0.183 19433 9591 1 20 . 1 1 101 101 GLU N N 101 120.385 120.385 120.596 -0.211 19433 9592 1 20 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.532 -0.241 19433 9593 1 20 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.925 -2.174 19433 9594 1 20 . 1 1 101 101 GLU CB C 101 27.830 27.830 30.521 -2.691 19433 9595 1 20 . 1 1 101 101 GLU H H 101 8.378 8.378 8.356 0.022 19433 9596 1 20 . 1 1 102 102 ILE N N 102 120.838 120.838 118.541 2.297 19433 9597 1 20 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.466 -0.300 19433 9598 1 20 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.545 -2.177 19433 9599 1 20 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.047 -1.333 19433 9600 1 20 . 1 1 102 102 ILE H H 102 8.168 8.168 7.887 0.281 19433 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 99 2.740 -0.265 2.741 19433 2 1 1 "Average Difference" HA 91 0.362 0.031 0.363 19433 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19433 4 1 1 "Average Difference" CA 100 2.845 2.556 1.256 19433 5 1 1 "Average Difference" CB 91 3.001 2.653 1.409 19433 6 1 1 "Average Difference" HN 99 0.472 -0.126 0.457 19433 7 1 2 "Average Difference" N 99 2.545 -0.287 2.541 19433 8 1 2 "Average Difference" HA 91 0.385 -0.014 0.387 19433 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19433 10 1 2 "Average Difference" CA 100 2.855 2.642 1.087 19433 11 1 2 "Average Difference" CB 91 2.958 2.585 1.446 19433 12 1 2 "Average Difference" HN 99 0.509 -0.154 0.488 19433 13 1 3 "Average Difference" N 99 2.994 -0.568 2.954 19433 14 1 3 "Average Difference" HA 91 0.384 0.034 0.385 19433 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19433 16 1 3 "Average Difference" CA 100 2.849 2.560 1.257 19433 17 1 3 "Average Difference" CB 91 3.020 2.646 1.463 19433 18 1 3 "Average Difference" HN 99 0.489 -0.113 0.478 19433 19 1 4 "Average Difference" N 99 2.735 -0.187 2.743 19433 20 1 4 "Average Difference" HA 91 0.400 -0.017 0.402 19433 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19433 22 1 4 "Average Difference" CA 100 2.944 2.699 1.182 19433 23 1 4 "Average Difference" CB 91 3.022 2.627 1.502 19433 24 1 4 "Average Difference" HN 99 0.465 -0.112 0.454 19433 25 1 5 "Average Difference" N 99 2.736 -0.416 2.718 19433 26 1 5 "Average Difference" HA 91 0.382 0.014 0.384 19433 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19433 28 1 5 "Average Difference" CA 100 2.897 2.592 1.302 19433 29 1 5 "Average Difference" CB 91 3.052 2.677 1.472 19433 30 1 5 "Average Difference" HN 99 0.479 -0.136 0.462 19433 31 1 6 "Average Difference" N 99 2.743 -0.360 2.733 19433 32 1 6 "Average Difference" HA 91 0.370 -0.014 0.372 19433 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19433 34 1 6 "Average Difference" CA 100 3.007 2.735 1.258 19433 35 1 6 "Average Difference" CB 91 3.018 2.644 1.463 19433 36 1 6 "Average Difference" HN 99 0.506 -0.152 0.484 19433 37 1 7 "Average Difference" N 99 2.830 -0.273 2.831 19433 38 1 7 "Average Difference" HA 91 0.324 0.054 0.321 19433 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19433 40 1 7 "Average Difference" CA 100 2.869 2.570 1.280 19433 41 1 7 "Average Difference" CB 91 3.063 2.689 1.476 19433 42 1 7 "Average Difference" HN 99 0.447 -0.072 0.443 19433 43 1 8 "Average Difference" N 99 2.916 -0.259 2.919 19433 44 1 8 "Average Difference" HA 91 0.347 -0.007 0.349 19433 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19433 46 1 8 "Average Difference" CA 100 2.885 2.646 1.155 19433 47 1 8 "Average Difference" CB 91 2.994 2.629 1.440 19433 48 1 8 "Average Difference" HN 99 0.491 -0.170 0.463 19433 49 1 9 "Average Difference" N 99 2.917 0.058 2.931 19433 50 1 9 "Average Difference" HA 91 0.301 0.056 0.297 19433 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19433 52 1 9 "Average Difference" CA 100 2.845 2.586 1.193 19433 53 1 9 "Average Difference" CB 91 3.073 2.732 1.415 19433 54 1 9 "Average Difference" HN 99 0.438 -0.102 0.428 19433 55 1 10 "Average Difference" N 99 2.864 -0.248 2.868 19433 56 1 10 "Average Difference" HA 91 0.361 0.042 0.360 19433 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19433 58 1 10 "Average Difference" CA 100 2.854 2.619 1.140 19433 59 1 10 "Average Difference" CB 91 2.982 2.624 1.425 19433 60 1 10 "Average Difference" HN 99 0.484 -0.113 0.473 19433 61 1 11 "Average Difference" N 99 3.108 -0.302 3.109 19433 62 1 11 "Average Difference" HA 91 0.350 0.027 0.351 19433 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19433 64 1 11 "Average Difference" CA 100 2.916 2.658 1.204 19433 65 1 11 "Average Difference" CB 91 3.102 2.749 1.446 19433 66 1 11 "Average Difference" HN 99 0.503 -0.122 0.490 19433 67 1 12 "Average Difference" N 99 2.996 -0.216 3.003 19433 68 1 12 "Average Difference" HA 91 0.340 0.017 0.341 19433 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19433 70 1 12 "Average Difference" CA 100 2.905 2.612 1.278 19433 71 1 12 "Average Difference" CB 91 3.035 2.720 1.354 19433 72 1 12 "Average Difference" HN 99 0.505 -0.132 0.490 19433 73 1 13 "Average Difference" N 99 3.009 -0.440 2.992 19433 74 1 13 "Average Difference" HA 91 0.356 0.029 0.357 19433 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19433 76 1 13 "Average Difference" CA 100 2.887 2.607 1.245 19433 77 1 13 "Average Difference" CB 91 3.054 2.696 1.444 19433 78 1 13 "Average Difference" HN 99 0.452 -0.137 0.433 19433 79 1 14 "Average Difference" N 99 2.770 -0.428 2.751 19433 80 1 14 "Average Difference" HA 91 0.353 0.040 0.352 19433 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19433 82 1 14 "Average Difference" CA 100 2.885 2.620 1.213 19433 83 1 14 "Average Difference" CB 91 3.081 2.730 1.437 19433 84 1 14 "Average Difference" HN 99 0.517 -0.134 0.502 19433 85 1 15 "Average Difference" N 99 2.868 -0.425 2.851 19433 86 1 15 "Average Difference" HA 91 0.351 0.035 0.351 19433 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19433 88 1 15 "Average Difference" CA 100 2.831 2.543 1.249 19433 89 1 15 "Average Difference" CB 91 3.068 2.701 1.464 19433 90 1 15 "Average Difference" HN 99 0.518 -0.145 0.500 19433 91 1 16 "Average Difference" N 99 2.588 -0.144 2.597 19433 92 1 16 "Average Difference" HA 91 0.367 0.007 0.369 19433 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19433 94 1 16 "Average Difference" CA 100 2.823 2.620 1.055 19433 95 1 16 "Average Difference" CB 91 3.004 2.640 1.442 19433 96 1 16 "Average Difference" HN 99 0.470 -0.145 0.449 19433 97 1 17 "Average Difference" N 99 2.815 -0.422 2.797 19433 98 1 17 "Average Difference" HA 91 0.384 0.009 0.386 19433 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19433 100 1 17 "Average Difference" CA 100 2.794 2.559 1.126 19433 101 1 17 "Average Difference" CB 91 3.154 2.743 1.566 19433 102 1 17 "Average Difference" HN 99 0.473 -0.156 0.449 19433 103 1 18 "Average Difference" N 99 2.842 -0.421 2.825 19433 104 1 18 "Average Difference" HA 91 0.369 0.009 0.371 19433 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19433 106 1 18 "Average Difference" CA 100 2.923 2.616 1.312 19433 107 1 18 "Average Difference" CB 91 2.967 2.584 1.467 19433 108 1 18 "Average Difference" HN 99 0.522 -0.151 0.502 19433 109 1 19 "Average Difference" N 99 2.662 -0.323 2.656 19433 110 1 19 "Average Difference" HA 91 0.372 0.010 0.374 19433 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19433 112 1 19 "Average Difference" CA 100 2.890 2.635 1.192 19433 113 1 19 "Average Difference" CB 91 2.986 2.589 1.495 19433 114 1 19 "Average Difference" HN 99 0.518 -0.145 0.500 19433 115 1 20 "Average Difference" N 99 2.776 -0.121 2.787 19433 116 1 20 "Average Difference" HA 91 0.349 0.027 0.349 19433 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19433 118 1 20 "Average Difference" CA 100 2.929 2.661 1.229 19433 119 1 20 "Average Difference" CB 91 3.185 2.761 1.596 19433 120 1 20 "Average Difference" HN 99 0.464 -0.147 0.442 19433 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 19433 _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 2 2 ALA HA H 2 4.231 4.231 4.624 -0.393 19433 2 1 . 1 1 2 2 ALA CA C 2 50.533 50.533 51.914 -1.381 19433 3 1 . 1 1 2 2 ALA CB C 2 16.644 16.644 20.057 -3.413 19433 4 1 . 1 1 3 3 GLN N N 3 118.180 118.180 118.762 -0.582 19433 5 1 . 1 1 3 3 GLN HA H 3 4.268 4.268 4.213 0.055 19433 6 1 . 1 1 3 3 GLN CB C 3 26.439 26.439 29.069 -2.630 19433 7 1 . 1 1 3 3 GLN H H 3 8.579 8.579 8.538 0.041 19433 8 1 . 1 1 4 4 ASP N N 4 120.328 120.328 117.813 2.515 19433 9 1 . 1 1 4 4 ASP HA H 4 4.497 4.497 4.768 -0.271 19433 10 1 . 1 1 4 4 ASP CA C 4 51.765 51.765 54.053 -2.288 19433 11 1 . 1 1 4 4 ASP CB C 4 38.522 38.522 41.225 -2.703 19433 12 1 . 1 1 4 4 ASP H H 4 8.061 8.061 8.138 -0.077 19433 13 1 . 1 1 5 5 GLY N N 5 109.114 109.114 109.490 -0.376 19433 14 1 . 1 1 5 5 GLY CA C 5 43.030 43.030 45.232 -2.201 19433 15 1 . 1 1 5 5 GLY H H 5 8.322 8.322 8.210 0.112 19433 16 1 . 1 1 6 6 LYS N N 6 120.397 120.397 120.800 -0.403 19433 17 1 . 1 1 6 6 LYS HA H 6 4.297 4.297 4.423 -0.126 19433 18 1 . 1 1 6 6 LYS CA C 6 53.319 53.319 56.363 -3.044 19433 19 1 . 1 1 6 6 LYS CB C 6 30.441 30.441 32.598 -2.157 19433 20 1 . 1 1 6 6 LYS H H 6 8.030 8.030 8.060 -0.030 19433 21 1 . 1 1 7 7 GLU N N 7 122.113 122.113 121.530 0.583 19433 22 1 . 1 1 7 7 GLU HA H 7 4.295 4.295 4.468 -0.173 19433 23 1 . 1 1 7 7 GLU CA C 7 53.287 53.287 55.998 -2.711 19433 24 1 . 1 1 7 7 GLU CB C 7 27.757 27.757 30.044 -2.287 19433 25 1 . 1 1 7 7 GLU H H 7 8.464 8.464 8.444 0.019 19433 26 1 . 1 1 8 8 THR N N 8 114.459 114.459 112.318 2.141 19433 27 1 . 1 1 8 8 THR HA H 8 4.543 4.543 4.732 -0.189 19433 28 1 . 1 1 8 8 THR CA C 8 57.966 57.966 60.536 -2.570 19433 29 1 . 1 1 8 8 THR CB C 8 68.123 68.123 70.767 -2.644 19433 30 1 . 1 1 8 8 THR H H 8 7.984 7.984 7.657 0.327 19433 31 1 . 1 1 9 9 THR N N 9 116.229 116.229 114.730 1.499 19433 32 1 . 1 1 9 9 THR HA H 9 4.584 4.584 4.679 -0.095 19433 33 1 . 1 1 9 9 THR CA C 9 58.575 58.575 60.979 -2.404 19433 34 1 . 1 1 9 9 THR CB C 9 67.866 67.866 70.277 -2.411 19433 35 1 . 1 1 9 9 THR H H 9 8.140 8.140 8.201 -0.061 19433 36 1 . 1 1 10 10 THR N N 10 118.509 118.509 116.103 2.406 19433 37 1 . 1 1 10 10 THR HA H 10 4.563 4.563 4.628 -0.065 19433 38 1 . 1 1 10 10 THR CA C 10 59.364 59.364 61.785 -2.421 19433 39 1 . 1 1 10 10 THR CB C 10 68.411 68.411 71.532 -3.121 19433 40 1 . 1 1 10 10 THR H H 10 8.544 8.544 8.168 0.376 19433 41 1 . 1 1 11 11 ILE N N 11 126.772 126.772 122.127 4.645 19433 42 1 . 1 1 11 11 ILE HA H 11 4.025 4.025 4.582 -0.557 19433 43 1 . 1 1 11 11 ILE CA C 11 57.323 57.323 59.381 -2.058 19433 44 1 . 1 1 11 11 ILE CB C 11 36.340 36.340 41.420 -5.080 19433 45 1 . 1 1 11 11 ILE H H 11 8.595 8.595 8.444 0.151 19433 46 1 . 1 1 12 12 ARG N N 12 125.922 125.922 124.279 1.643 19433 47 1 . 1 1 12 12 ARG HA H 12 4.993 4.993 4.811 0.182 19433 48 1 . 1 1 12 12 ARG CA C 12 50.890 50.890 54.466 -3.576 19433 49 1 . 1 1 12 12 ARG CB C 12 30.964 30.964 34.067 -3.103 19433 50 1 . 1 1 12 12 ARG H H 12 8.031 8.031 8.222 -0.191 19433 51 1 . 1 1 13 13 LEU N N 13 126.771 126.771 126.150 0.621 19433 52 1 . 1 1 13 13 LEU HA H 13 4.943 4.943 4.674 0.269 19433 53 1 . 1 1 13 13 LEU CA C 13 50.626 50.626 54.116 -3.490 19433 54 1 . 1 1 13 13 LEU CB C 13 42.033 42.033 43.964 -1.931 19433 55 1 . 1 1 13 13 LEU H H 13 8.828 8.828 8.997 -0.169 19433 56 1 . 1 1 14 14 ILE N N 14 123.438 123.438 122.279 1.159 19433 57 1 . 1 1 14 14 ILE HA H 14 4.177 4.177 4.634 -0.457 19433 58 1 . 1 1 14 14 ILE CA C 14 58.514 58.514 60.285 -1.771 19433 59 1 . 1 1 14 14 ILE CB C 14 38.667 38.667 40.572 -1.905 19433 60 1 . 1 1 14 14 ILE H H 14 8.847 8.847 8.721 0.126 19433 61 1 . 1 1 15 15 ASN N N 15 123.130 123.130 123.815 -0.685 19433 62 1 . 1 1 15 15 ASN HA H 15 4.880 4.880 4.863 0.017 19433 63 1 . 1 1 15 15 ASN CA C 15 48.668 48.668 51.811 -3.143 19433 64 1 . 1 1 15 15 ASN CB C 15 34.821 34.821 38.474 -3.653 19433 65 1 . 1 1 15 15 ASN H H 15 8.446 8.446 8.885 -0.439 19433 66 1 . 1 1 16 16 GLN N N 16 125.061 125.061 121.308 3.753 19433 67 1 . 1 1 16 16 GLN HA H 16 4.531 4.531 3.454 1.077 19433 68 1 . 1 1 16 16 GLN CA C 16 52.160 52.160 55.174 -3.014 19433 69 1 . 1 1 16 16 GLN CB C 16 26.904 26.904 27.127 -0.223 19433 70 1 . 1 1 16 16 GLN H H 16 9.063 9.063 7.911 1.152 19433 71 1 . 1 1 17 17 THR N N 17 110.936 110.936 111.185 -0.249 19433 72 1 . 1 1 17 17 THR HA H 17 4.415 4.415 4.289 0.126 19433 73 1 . 1 1 17 17 THR CA C 17 58.240 58.240 59.466 -1.226 19433 74 1 . 1 1 17 17 THR CB C 17 67.913 67.913 70.101 -2.188 19433 75 1 . 1 1 17 17 THR H H 17 7.765 7.765 7.681 0.084 19433 76 1 . 1 1 18 18 TYR N N 18 112.380 112.380 117.301 -4.921 19433 77 1 . 1 1 18 18 TYR HA H 18 4.355 4.355 4.655 -0.300 19433 78 1 . 1 1 18 18 TYR CA C 18 54.029 54.029 55.784 -1.755 19433 79 1 . 1 1 18 18 TYR CB C 18 34.567 34.567 37.540 -2.973 19433 80 1 . 1 1 18 18 TYR H H 18 6.950 6.950 8.100 -1.150 19433 81 1 . 1 1 19 19 PHE N N 19 119.710 119.710 115.700 4.010 19433 82 1 . 1 1 19 19 PHE HA H 19 4.996 4.996 4.807 0.189 19433 83 1 . 1 1 19 19 PHE CA C 19 52.010 52.010 54.547 -2.537 19433 84 1 . 1 1 19 19 PHE CB C 19 38.471 38.471 40.167 -1.696 19433 85 1 . 1 1 19 19 PHE H H 19 8.014 8.014 6.671 1.343 19433 86 1 . 1 1 20 20 ASN N N 20 117.921 117.921 117.530 0.391 19433 87 1 . 1 1 20 20 ASN HA H 20 4.689 4.689 5.318 -0.629 19433 88 1 . 1 1 20 20 ASN CA C 20 52.037 52.037 52.219 -0.182 19433 89 1 . 1 1 20 20 ASN CB C 20 36.306 36.306 41.329 -5.023 19433 90 1 . 1 1 20 20 ASN H H 20 8.724 8.724 8.472 0.252 19433 91 1 . 1 1 21 21 VAL N N 21 115.311 115.311 115.939 -0.628 19433 92 1 . 1 1 21 21 VAL HA H 21 4.884 4.884 4.914 -0.030 19433 93 1 . 1 1 21 21 VAL CA C 21 57.501 57.501 59.967 -2.466 19433 94 1 . 1 1 21 21 VAL CB C 21 31.845 31.845 35.596 -3.751 19433 95 1 . 1 1 21 21 VAL H H 21 8.186 8.186 8.808 -0.622 19433 96 1 . 1 1 22 22 LYS N N 22 119.772 119.772 121.110 -1.338 19433 97 1 . 1 1 22 22 LYS HA H 22 5.002 5.002 4.758 0.244 19433 98 1 . 1 1 22 22 LYS CA C 22 51.533 51.533 55.919 -4.386 19433 99 1 . 1 1 22 22 LYS CB C 22 34.265 34.265 33.347 0.918 19433 100 1 . 1 1 22 22 LYS H H 22 9.331 9.331 8.372 0.959 19433 101 1 . 1 1 23 23 ASN N N 23 116.781 116.781 114.802 1.979 19433 102 1 . 1 1 23 23 ASN HA H 23 4.203 4.203 4.772 -0.569 19433 103 1 . 1 1 23 23 ASN CA C 23 50.933 50.933 52.764 -1.831 19433 104 1 . 1 1 23 23 ASN CB C 23 34.520 34.520 38.910 -4.390 19433 105 1 . 1 1 23 23 ASN H H 23 8.573 8.573 8.141 0.432 19433 106 1 . 1 1 24 24 ILE N N 24 118.303 118.303 121.908 -3.605 19433 107 1 . 1 1 24 24 ILE HA H 24 4.744 4.744 4.254 0.490 19433 108 1 . 1 1 24 24 ILE CA C 24 57.544 57.544 61.024 -3.480 19433 109 1 . 1 1 24 24 ILE CB C 24 36.236 36.236 37.848 -1.612 19433 110 1 . 1 1 24 24 ILE H H 24 8.329 8.329 7.939 0.390 19433 111 1 . 1 1 25 25 LYS N N 25 129.189 129.189 128.255 0.934 19433 112 1 . 1 1 25 25 LYS HA H 25 4.886 4.886 4.862 0.024 19433 113 1 . 1 1 25 25 LYS CA C 25 52.761 52.761 55.562 -2.801 19433 114 1 . 1 1 25 25 LYS CB C 25 31.647 31.647 34.180 -2.533 19433 115 1 . 1 1 25 25 LYS H H 25 9.102 9.102 8.622 0.480 19433 116 1 . 1 1 26 26 VAL N N 26 129.283 129.283 124.382 4.901 19433 117 1 . 1 1 26 26 VAL HA H 26 4.966 4.966 4.768 0.198 19433 118 1 . 1 1 26 26 VAL CA C 26 58.099 58.099 60.410 -2.311 19433 119 1 . 1 1 26 26 VAL CB C 26 31.370 31.370 35.662 -4.292 19433 120 1 . 1 1 26 26 VAL H H 26 9.057 9.057 8.818 0.239 19433 121 1 . 1 1 27 27 THR N N 27 120.185 120.185 121.371 -1.186 19433 122 1 . 1 1 27 27 THR HA H 27 5.542 5.542 5.193 0.349 19433 123 1 . 1 1 27 27 THR CA C 27 56.977 56.977 61.925 -4.948 19433 124 1 . 1 1 27 27 THR CB C 27 68.220 68.220 71.194 -2.974 19433 125 1 . 1 1 27 27 THR H H 27 9.177 9.177 8.656 0.521 19433 126 1 . 1 1 28 28 TRP N N 28 123.046 123.046 123.772 -0.726 19433 127 1 . 1 1 28 28 TRP HA H 28 5.390 5.390 5.381 0.009 19433 128 1 . 1 1 28 28 TRP CA C 28 53.617 53.617 55.707 -2.090 19433 129 1 . 1 1 28 28 TRP CB C 28 29.962 29.962 31.016 -1.054 19433 130 1 . 1 1 28 28 TRP H H 28 8.787 8.787 8.270 0.517 19433 131 1 . 1 1 29 29 ASN N N 29 116.792 116.792 117.475 -0.683 19433 132 1 . 1 1 29 29 ASN HA H 29 3.416 3.416 4.711 -1.295 19433 133 1 . 1 1 29 29 ASN CA C 29 51.265 51.265 52.734 -1.469 19433 134 1 . 1 1 29 29 ASN CB C 29 34.179 34.179 41.250 -7.071 19433 135 1 . 1 1 29 29 ASN H H 29 8.193 8.193 7.520 0.673 19433 136 1 . 1 1 30 30 ASP N N 30 118.710 118.710 120.555 -1.845 19433 137 1 . 1 1 30 30 ASP HA H 30 4.517 4.517 4.651 -0.134 19433 138 1 . 1 1 30 30 ASP CA C 30 51.462 51.462 54.861 -3.399 19433 139 1 . 1 1 30 30 ASP CB C 30 36.498 36.498 39.998 -3.500 19433 140 1 . 1 1 30 30 ASP H H 30 8.937 8.937 8.559 0.378 19433 141 1 . 1 1 31 31 GLY N N 31 106.542 106.542 108.677 -2.135 19433 142 1 . 1 1 31 31 GLY CA C 31 43.466 43.466 44.947 -1.481 19433 143 1 . 1 1 31 31 GLY H H 31 7.594 7.594 7.835 -0.241 19433 144 1 . 1 1 32 32 LYS N N 32 121.904 121.904 122.416 -0.512 19433 145 1 . 1 1 32 32 LYS HA H 32 3.889 3.889 4.211 -0.322 19433 146 1 . 1 1 32 32 LYS CA C 32 52.825 52.825 55.189 -2.364 19433 147 1 . 1 1 32 32 LYS CB C 32 28.130 28.130 32.458 -4.328 19433 148 1 . 1 1 32 32 LYS H H 32 7.510 7.510 7.802 -0.292 19433 149 1 . 1 1 33 33 GLU N N 33 119.124 119.124 122.469 -3.345 19433 150 1 . 1 1 33 33 GLU HA H 33 5.280 5.280 4.899 0.381 19433 151 1 . 1 1 33 33 GLU CA C 33 52.331 52.331 54.267 -1.936 19433 152 1 . 1 1 33 33 GLU CB C 33 31.709 31.709 33.220 -1.511 19433 153 1 . 1 1 33 33 GLU H H 33 7.843 7.843 8.055 -0.212 19433 154 1 . 1 1 34 34 GLN N N 34 123.230 123.230 117.910 5.320 19433 155 1 . 1 1 34 34 GLN HA H 34 4.423 4.423 4.760 -0.337 19433 156 1 . 1 1 34 34 GLN CA C 34 52.297 52.297 54.779 -2.482 19433 157 1 . 1 1 34 34 GLN CB C 34 30.242 30.242 32.276 -2.034 19433 158 1 . 1 1 34 34 GLN H H 34 9.114 9.114 8.798 0.316 19433 159 1 . 1 1 35 35 THR N N 35 119.194 119.194 112.827 6.367 19433 160 1 . 1 1 35 35 THR HA H 35 5.241 5.241 5.258 -0.017 19433 161 1 . 1 1 35 35 THR CA C 35 58.075 58.075 59.670 -1.595 19433 162 1 . 1 1 35 35 THR CB C 35 67.936 67.936 71.247 -3.311 19433 163 1 . 1 1 35 35 THR H H 35 8.397 8.397 8.190 0.207 19433 164 1 . 1 1 36 36 VAL N N 36 126.317 126.317 123.213 3.104 19433 165 1 . 1 1 36 36 VAL HA H 36 4.166 4.166 4.130 0.036 19433 166 1 . 1 1 36 36 VAL CA C 36 58.296 58.296 61.138 -2.842 19433 167 1 . 1 1 36 36 VAL CB C 36 31.785 31.785 33.244 -1.459 19433 168 1 . 1 1 36 36 VAL H H 36 8.976 8.976 8.270 0.706 19433 169 1 . 1 1 37 37 ASN N N 37 126.536 126.536 122.580 3.956 19433 170 1 . 1 1 37 37 ASN HA H 37 4.361 4.361 4.519 -0.158 19433 171 1 . 1 1 37 37 ASN CA C 37 55.094 55.094 55.556 -0.462 19433 172 1 . 1 1 37 37 ASN CB C 37 35.754 35.754 38.838 -3.084 19433 173 1 . 1 1 37 37 ASN H H 37 8.974 8.974 8.756 0.218 19433 174 1 . 1 1 38 38 THR N N 38 112.460 112.460 112.507 -0.047 19433 175 1 . 1 1 38 38 THR HA H 38 4.850 4.850 4.791 0.059 19433 176 1 . 1 1 38 38 THR CA C 38 58.536 58.536 61.816 -3.280 19433 177 1 . 1 1 38 38 THR CB C 38 69.085 69.085 71.693 -2.608 19433 178 1 . 1 1 38 38 THR H H 38 7.762 7.762 7.714 0.048 19433 179 1 . 1 1 39 39 LEU N N 39 126.316 126.316 125.145 1.171 19433 180 1 . 1 1 39 39 LEU HA H 39 4.543 4.543 4.734 -0.191 19433 181 1 . 1 1 39 39 LEU CA C 39 51.785 51.785 53.672 -1.887 19433 182 1 . 1 1 39 39 LEU CB C 39 42.341 42.341 45.503 -3.162 19433 183 1 . 1 1 39 39 LEU H H 39 8.572 8.572 9.150 -0.578 19433 184 1 . 1 1 40 40 GLY N N 40 116.669 116.669 112.099 4.570 19433 185 1 . 1 1 40 40 GLY CA C 40 42.265 42.265 44.415 -2.150 19433 186 1 . 1 1 40 40 GLY H H 40 9.303 9.303 8.381 0.922 19433 187 1 . 1 1 41 41 SER N N 41 113.384 113.384 116.597 -3.213 19433 188 1 . 1 1 41 41 SER HA H 41 3.612 3.612 4.246 -0.634 19433 189 1 . 1 1 41 41 SER CA C 41 56.211 56.211 59.568 -3.357 19433 190 1 . 1 1 41 41 SER CB C 41 60.482 60.482 63.042 -2.560 19433 191 1 . 1 1 41 41 SER H H 41 7.883 7.883 8.401 -0.518 19433 192 1 . 1 1 42 42 HIS N N 42 120.045 120.045 119.435 0.610 19433 193 1 . 1 1 42 42 HIS HA H 42 4.432 4.432 4.190 0.242 19433 194 1 . 1 1 42 42 HIS CA C 42 55.004 55.004 58.070 -3.066 19433 195 1 . 1 1 42 42 HIS CB C 42 23.445 23.445 28.505 -5.060 19433 196 1 . 1 1 42 42 HIS H H 42 7.882 7.882 8.817 -0.935 19433 197 1 . 1 1 43 43 ASP N N 43 119.308 119.308 119.412 -0.104 19433 198 1 . 1 1 43 43 ASP HA H 43 5.037 5.037 4.757 0.280 19433 199 1 . 1 1 43 43 ASP CA C 43 50.078 50.078 55.053 -4.975 19433 200 1 . 1 1 43 43 ASP CB C 43 40.709 40.709 42.419 -1.710 19433 201 1 . 1 1 43 43 ASP H H 43 7.906 7.906 7.823 0.083 19433 202 1 . 1 1 44 44 SER N N 44 111.544 111.544 113.358 -1.814 19433 203 1 . 1 1 44 44 SER HA H 44 5.617 5.617 5.371 0.246 19433 204 1 . 1 1 44 44 SER CA C 44 53.597 53.597 56.984 -3.386 19433 205 1 . 1 1 44 44 SER CB C 44 65.207 65.207 66.607 -1.400 19433 206 1 . 1 1 44 44 SER H H 44 8.396 8.396 8.390 0.006 19433 207 1 . 1 1 45 45 ILE N N 45 119.898 119.898 120.656 -0.758 19433 208 1 . 1 1 45 45 ILE HA H 45 4.510 4.510 4.617 -0.107 19433 209 1 . 1 1 45 45 ILE CA C 45 57.040 57.040 60.578 -3.538 19433 210 1 . 1 1 45 45 ILE CB C 45 39.246 39.246 42.186 -2.940 19433 211 1 . 1 1 45 45 ILE H H 45 8.726 8.726 8.807 -0.081 19433 212 1 . 1 1 46 46 ASP N N 46 123.866 123.866 126.105 -2.239 19433 213 1 . 1 1 46 46 ASP HA H 46 5.521 5.521 5.405 0.116 19433 214 1 . 1 1 46 46 ASP CA C 46 49.373 49.373 52.582 -3.209 19433 215 1 . 1 1 46 46 ASP CB C 46 40.812 40.812 42.969 -2.156 19433 216 1 . 1 1 46 46 ASP H H 46 7.891 7.891 8.291 -0.400 19433 217 1 . 1 1 47 47 PHE N N 47 116.649 116.649 118.389 -1.740 19433 218 1 . 1 1 47 47 PHE HA H 47 4.773 4.773 4.870 -0.097 19433 219 1 . 1 1 47 47 PHE CA C 47 53.088 53.088 55.840 -2.752 19433 220 1 . 1 1 47 47 PHE CB C 47 37.740 37.740 41.217 -3.477 19433 221 1 . 1 1 47 47 PHE H H 47 8.654 8.654 8.145 0.509 19433 222 1 . 1 1 48 48 SER N N 48 114.033 114.033 117.278 -3.245 19433 223 1 . 1 1 48 48 SER HA H 48 4.729 4.729 4.417 0.312 19433 224 1 . 1 1 48 48 SER CA C 48 49.403 49.403 58.638 -9.235 19433 225 1 . 1 1 48 48 SER CB C 48 61.957 61.957 63.837 -1.880 19433 226 1 . 1 1 48 48 SER H H 48 8.667 8.667 8.508 0.159 19433 227 1 . 1 1 49 49 SER N N 49 119.169 119.169 119.320 -0.151 19433 228 1 . 1 1 49 49 SER HA H 49 4.357 4.357 4.371 -0.014 19433 229 1 . 1 1 49 49 SER CA C 49 55.003 55.003 57.479 -2.476 19433 230 1 . 1 1 49 49 SER CB C 49 61.708 61.708 64.553 -2.845 19433 231 1 . 1 1 49 49 SER H H 49 8.644 8.644 8.261 0.383 19433 232 1 . 1 1 50 50 ASP N N 50 120.389 120.389 123.503 -3.114 19433 233 1 . 1 1 50 50 ASP HA H 50 4.445 4.445 4.739 -0.294 19433 234 1 . 1 1 50 50 ASP CA C 50 52.432 52.432 54.268 -1.836 19433 235 1 . 1 1 50 50 ASP CB C 50 38.122 38.122 40.401 -2.279 19433 236 1 . 1 1 50 50 ASP H H 50 8.743 8.743 9.161 -0.418 19433 237 1 . 1 1 51 51 ALA N N 51 120.149 120.149 121.730 -1.581 19433 238 1 . 1 1 51 51 ALA HA H 51 4.626 4.626 4.648 -0.022 19433 239 1 . 1 1 51 51 ALA CA C 51 48.702 48.702 51.627 -2.925 19433 240 1 . 1 1 51 51 ALA CB C 51 19.196 19.196 21.490 -2.294 19433 241 1 . 1 1 51 51 ALA H H 51 8.178 8.178 7.648 0.530 19433 242 1 . 1 1 52 52 GLY N N 52 106.575 106.575 107.471 -0.896 19433 243 1 . 1 1 52 52 GLY CA C 52 42.867 42.867 45.990 -3.123 19433 244 1 . 1 1 52 52 GLY H H 52 8.465 8.465 8.794 -0.329 19433 245 1 . 1 1 53 53 SER N N 53 111.247 111.247 113.113 -1.866 19433 246 1 . 1 1 53 53 SER HA H 53 4.371 4.371 4.586 -0.215 19433 247 1 . 1 1 53 53 SER CA C 53 55.270 55.270 57.097 -1.827 19433 248 1 . 1 1 53 53 SER CB C 53 61.515 61.515 65.695 -4.180 19433 249 1 . 1 1 53 53 SER H H 53 7.606 7.606 7.524 0.082 19433 250 1 . 1 1 54 54 VAL N N 54 124.481 124.481 120.913 3.568 19433 251 1 . 1 1 54 54 VAL HA H 54 4.306 4.306 4.162 0.144 19433 252 1 . 1 1 54 54 VAL CA C 54 59.775 59.775 61.302 -1.527 19433 253 1 . 1 1 54 54 VAL CB C 54 29.693 29.693 34.810 -5.117 19433 254 1 . 1 1 54 54 VAL H H 54 8.587 8.587 8.468 0.119 19433 255 1 . 1 1 55 55 TYR N N 55 122.616 122.616 118.144 4.472 19433 256 1 . 1 1 55 55 TYR HA H 55 5.181 5.181 5.098 0.083 19433 257 1 . 1 1 55 55 TYR CA C 55 53.682 53.682 55.561 -1.879 19433 258 1 . 1 1 55 55 TYR CB C 55 36.877 36.877 39.635 -2.758 19433 259 1 . 1 1 55 55 TYR H H 55 8.586 8.586 8.224 0.362 19433 260 1 . 1 1 56 56 LYS N N 56 121.197 121.197 118.803 2.394 19433 261 1 . 1 1 56 56 LYS HA H 56 4.756 4.756 4.968 -0.212 19433 262 1 . 1 1 56 56 LYS CA C 56 53.406 53.406 55.344 -1.938 19433 263 1 . 1 1 56 56 LYS CB C 56 32.473 32.473 36.444 -3.971 19433 264 1 . 1 1 56 56 LYS H H 56 7.276 7.276 7.561 -0.285 19433 265 1 . 1 1 57 57 MET N N 57 122.040 122.040 121.513 0.527 19433 266 1 . 1 1 57 57 MET HA H 57 5.440 5.440 5.269 0.171 19433 267 1 . 1 1 57 57 MET CA C 57 52.893 52.893 55.639 -2.746 19433 268 1 . 1 1 57 57 MET CB C 57 35.646 35.646 37.421 -1.775 19433 269 1 . 1 1 57 57 MET H H 57 8.637 8.637 9.032 -0.395 19433 270 1 . 1 1 58 58 ASP N N 58 125.086 125.086 127.804 -2.718 19433 271 1 . 1 1 58 58 ASP HA H 58 5.740 5.740 5.186 0.554 19433 272 1 . 1 1 58 58 ASP CA C 58 50.784 50.784 53.391 -2.607 19433 273 1 . 1 1 58 58 ASP CB C 58 42.339 42.339 42.848 -0.508 19433 274 1 . 1 1 58 58 ASP H H 58 9.367 9.367 8.746 0.621 19433 275 1 . 1 1 59 59 VAL N N 59 120.817 120.817 123.029 -2.212 19433 276 1 . 1 1 59 59 VAL HA H 59 5.058 5.058 4.695 0.363 19433 277 1 . 1 1 59 59 VAL CA C 59 58.103 58.103 60.978 -2.875 19433 278 1 . 1 1 59 59 VAL CB C 59 33.782 33.782 33.858 -0.076 19433 279 1 . 1 1 59 59 VAL H H 59 8.890 8.890 8.511 0.379 19433 280 1 . 1 1 60 60 THR N N 60 120.028 120.028 119.478 0.550 19433 281 1 . 1 1 60 60 THR HA H 60 5.125 5.125 4.959 0.166 19433 282 1 . 1 1 60 60 THR CA C 60 56.923 56.923 60.998 -4.075 19433 283 1 . 1 1 60 60 THR CB C 60 68.946 68.946 70.148 -1.202 19433 284 1 . 1 1 60 60 THR H H 60 8.578 8.578 8.627 -0.049 19433 285 1 . 1 1 61 61 GLY N N 61 108.812 108.812 113.310 -4.498 19433 286 1 . 1 1 61 61 GLY CA C 61 43.194 43.194 43.937 -0.743 19433 287 1 . 1 1 61 61 GLY H H 61 7.330 7.330 8.022 -0.692 19433 288 1 . 1 1 62 62 THR N N 62 111.342 111.342 114.676 -3.334 19433 289 1 . 1 1 62 62 THR HA H 62 5.333 5.333 5.247 0.086 19433 290 1 . 1 1 62 62 THR CA C 62 57.514 57.514 60.757 -3.243 19433 291 1 . 1 1 62 62 THR CB C 62 69.348 69.348 72.255 -2.907 19433 292 1 . 1 1 62 62 THR H H 62 8.013 8.013 7.844 0.169 19433 293 1 . 1 1 63 63 THR N N 63 115.003 115.003 115.770 -0.767 19433 294 1 . 1 1 63 63 THR HA H 63 4.751 4.751 4.444 0.307 19433 295 1 . 1 1 63 63 THR CA C 63 58.700 58.700 60.570 -1.870 19433 296 1 . 1 1 63 63 THR CB C 63 68.654 68.654 70.076 -1.422 19433 297 1 . 1 1 63 63 THR H H 63 9.432 9.432 8.777 0.655 19433 298 1 . 1 1 64 64 GLN N N 64 120.671 120.671 121.273 -0.602 19433 299 1 . 1 1 64 64 GLN HA H 64 3.842 3.842 4.008 -0.166 19433 300 1 . 1 1 64 64 GLN CA C 64 56.272 56.272 58.964 -2.692 19433 301 1 . 1 1 64 64 GLN CB C 64 26.086 26.086 28.463 -2.377 19433 302 1 . 1 1 64 64 GLN H H 64 8.037 8.037 8.569 -0.532 19433 303 1 . 1 1 65 65 SER N N 65 110.096 110.096 112.681 -2.585 19433 304 1 . 1 1 65 65 SER HA H 65 4.351 4.351 4.337 0.014 19433 305 1 . 1 1 65 65 SER CA C 65 55.577 55.577 58.566 -2.989 19433 306 1 . 1 1 65 65 SER CB C 65 60.350 60.350 63.360 -3.010 19433 307 1 . 1 1 65 65 SER H H 65 7.670 7.670 7.851 -0.181 19433 308 1 . 1 1 66 66 GLY N N 66 109.466 109.466 109.031 0.435 19433 309 1 . 1 1 66 66 GLY CA C 66 42.650 42.650 45.127 -2.477 19433 310 1 . 1 1 66 66 GLY H H 66 7.810 7.810 7.647 0.163 19433 311 1 . 1 1 67 67 GLU N N 67 121.149 121.149 120.936 0.213 19433 312 1 . 1 1 67 67 GLU HA H 67 4.303 4.303 4.356 -0.053 19433 313 1 . 1 1 67 67 GLU CA C 67 53.919 53.919 56.014 -2.095 19433 314 1 . 1 1 67 67 GLU CB C 67 27.030 27.030 31.030 -4.001 19433 315 1 . 1 1 67 67 GLU H H 67 7.518 7.518 7.885 -0.367 19433 316 1 . 1 1 68 68 LYS N N 68 124.553 124.553 124.790 -0.237 19433 317 1 . 1 1 68 68 LYS HA H 68 4.886 4.886 4.865 0.021 19433 318 1 . 1 1 68 68 LYS CA C 68 53.002 53.002 55.522 -2.520 19433 319 1 . 1 1 68 68 LYS CB C 68 31.499 31.499 34.309 -2.810 19433 320 1 . 1 1 68 68 LYS H H 68 8.631 8.631 8.445 0.186 19433 321 1 . 1 1 69 69 PHE N N 69 119.363 119.363 121.716 -2.353 19433 322 1 . 1 1 69 69 PHE HA H 69 5.162 5.162 5.039 0.123 19433 323 1 . 1 1 69 69 PHE CA C 69 52.610 52.610 55.721 -3.111 19433 324 1 . 1 1 69 69 PHE CB C 69 39.531 39.531 41.242 -1.711 19433 325 1 . 1 1 69 69 PHE H H 69 8.180 8.180 8.454 -0.274 19433 326 1 . 1 1 70 70 THR N N 70 113.468 113.468 112.136 1.332 19433 327 1 . 1 1 70 70 THR HA H 70 5.331 5.331 4.880 0.451 19433 328 1 . 1 1 70 70 THR CA C 70 57.694 57.694 59.991 -2.297 19433 329 1 . 1 1 70 70 THR CB C 70 69.969 69.969 72.315 -2.346 19433 330 1 . 1 1 70 70 THR H H 70 8.623 8.623 8.425 0.198 19433 331 1 . 1 1 71 71 GLY N N 71 110.469 110.469 108.787 1.682 19433 332 1 . 1 1 71 71 GLY CA C 71 42.758 42.758 44.637 -1.879 19433 333 1 . 1 1 71 71 GLY H H 71 8.955 8.955 8.033 0.922 19433 334 1 . 1 1 72 72 HIS N N 72 121.565 121.565 121.014 0.550 19433 335 1 . 1 1 72 72 HIS HA H 72 5.286 5.286 4.603 0.683 19433 336 1 . 1 1 72 72 HIS CA C 72 51.920 51.920 56.008 -4.088 19433 337 1 . 1 1 72 72 HIS CB C 72 28.409 28.409 27.899 0.510 19433 338 1 . 1 1 72 72 HIS H H 72 8.162 8.162 7.890 0.272 19433 339 1 . 1 1 73 73 PHE N N 73 122.114 122.114 123.183 -1.069 19433 340 1 . 1 1 73 73 PHE HA H 73 4.994 4.994 4.852 0.142 19433 341 1 . 1 1 73 73 PHE CA C 73 54.002 54.002 57.068 -3.066 19433 342 1 . 1 1 73 73 PHE CB C 73 40.278 40.278 42.453 -2.175 19433 343 1 . 1 1 73 73 PHE H H 73 9.117 9.117 8.914 0.203 19433 344 1 . 1 1 74 74 LYS N N 74 122.834 122.834 120.569 2.265 19433 345 1 . 1 1 74 74 LYS HA H 74 4.876 4.876 4.874 0.002 19433 346 1 . 1 1 74 74 LYS CA C 74 52.801 52.801 55.401 -2.600 19433 347 1 . 1 1 74 74 LYS CB C 74 32.741 32.741 35.980 -3.239 19433 348 1 . 1 1 74 74 LYS H H 74 8.889 8.889 8.562 0.327 19433 349 1 . 1 1 75 75 GLY N N 75 109.821 109.821 109.034 0.787 19433 350 1 . 1 1 75 75 GLY CA C 75 44.235 44.235 45.689 -1.454 19433 351 1 . 1 1 75 75 GLY H H 75 8.418 8.418 8.334 0.084 19433 352 1 . 1 1 76 76 LEU N N 76 119.557 119.557 120.279 -0.722 19433 353 1 . 1 1 76 76 LEU HA H 76 4.340 4.340 4.646 -0.306 19433 354 1 . 1 1 76 76 LEU CA C 76 52.374 52.374 54.452 -2.078 19433 355 1 . 1 1 76 76 LEU CB C 76 39.659 39.659 43.146 -3.487 19433 356 1 . 1 1 76 76 LEU H H 76 7.893 7.893 7.829 0.064 19433 357 1 . 1 1 77 77 VAL N N 77 118.411 118.411 117.518 0.893 19433 358 1 . 1 1 77 77 VAL HA H 77 4.393 4.393 4.450 -0.057 19433 359 1 . 1 1 77 77 VAL CA C 77 58.445 58.445 60.709 -2.264 19433 360 1 . 1 1 77 77 VAL CB C 77 32.212 32.212 34.351 -2.139 19433 361 1 . 1 1 77 77 VAL H H 77 8.583 8.583 8.192 0.391 19433 362 1 . 1 1 78 78 GLY N N 78 111.284 111.284 109.293 1.991 19433 363 1 . 1 1 78 78 GLY CA C 78 41.998 41.998 44.729 -2.731 19433 364 1 . 1 1 78 78 GLY H H 78 8.218 8.218 8.275 -0.057 19433 365 1 . 1 1 79 79 LYS N N 79 120.895 120.895 121.422 -0.527 19433 366 1 . 1 1 79 79 LYS HA H 79 4.277 4.277 4.393 -0.116 19433 367 1 . 1 1 79 79 LYS CA C 79 54.451 54.451 56.073 -1.622 19433 368 1 . 1 1 79 79 LYS CB C 79 30.277 30.277 32.670 -2.393 19433 369 1 . 1 1 79 79 LYS H H 79 8.347 8.347 8.421 -0.074 19433 370 1 . 1 1 80 80 ASP N N 80 119.681 119.681 116.587 3.094 19433 371 1 . 1 1 80 80 ASP HA H 80 4.807 4.807 5.252 -0.445 19433 372 1 . 1 1 80 80 ASP CA C 80 51.234 51.234 52.615 -1.381 19433 373 1 . 1 1 80 80 ASP CB C 80 39.024 39.024 43.919 -4.895 19433 374 1 . 1 1 80 80 ASP H H 80 7.993 7.993 7.588 0.405 19433 375 1 . 1 1 81 81 THR N N 81 118.659 118.659 114.008 4.651 19433 376 1 . 1 1 81 81 THR HA H 81 4.076 4.076 4.546 -0.470 19433 377 1 . 1 1 81 81 THR CA C 81 60.371 60.371 61.445 -1.074 19433 378 1 . 1 1 81 81 THR CB C 81 67.694 67.694 71.306 -3.612 19433 379 1 . 1 1 81 81 THR H H 81 8.002 8.002 8.133 -0.131 19433 380 1 . 1 1 82 82 ARG N N 82 127.944 127.944 123.089 4.855 19433 381 1 . 1 1 82 82 ARG HA H 82 4.597 4.597 5.219 -0.622 19433 382 1 . 1 1 82 82 ARG CA C 82 52.171 52.171 54.671 -2.500 19433 383 1 . 1 1 82 82 ARG CB C 82 29.608 29.608 33.261 -3.653 19433 384 1 . 1 1 82 82 ARG H H 82 8.183 8.183 8.346 -0.163 19433 385 1 . 1 1 83 83 VAL N N 83 121.617 121.617 119.286 2.331 19433 386 1 . 1 1 83 83 VAL HA H 83 4.064 4.064 4.219 -0.155 19433 387 1 . 1 1 83 83 VAL CA C 83 57.675 57.675 61.549 -3.874 19433 388 1 . 1 1 83 83 VAL CB C 83 30.315 30.315 34.627 -4.312 19433 389 1 . 1 1 83 83 VAL H H 83 8.639 8.639 8.358 0.281 19433 390 1 . 1 1 84 84 PHE N N 84 124.702 124.702 126.833 -2.131 19433 391 1 . 1 1 84 84 PHE HA H 84 4.967 4.967 4.815 0.152 19433 392 1 . 1 1 84 84 PHE CA C 84 53.799 53.799 54.652 -0.853 19433 393 1 . 1 1 84 84 PHE CB C 84 38.688 38.688 38.636 0.052 19433 394 1 . 1 1 84 84 PHE H H 84 9.198 9.198 8.955 0.243 19433 395 1 . 1 1 85 85 ILE N N 85 123.027 123.027 124.751 -1.724 19433 396 1 . 1 1 85 85 ILE HA H 85 4.447 4.447 4.173 0.274 19433 397 1 . 1 1 85 85 ILE CA C 85 57.913 57.913 62.151 -4.238 19433 398 1 . 1 1 85 85 ILE CB C 85 35.870 35.870 37.597 -1.727 19433 399 1 . 1 1 85 85 ILE H H 85 8.650 8.650 8.226 0.424 19433 400 1 . 1 1 86 86 GLU N N 86 124.137 124.137 124.065 0.072 19433 401 1 . 1 1 86 86 GLU HA H 86 4.575 4.575 4.779 -0.204 19433 402 1 . 1 1 86 86 GLU CA C 86 51.531 51.531 54.331 -2.800 19433 403 1 . 1 1 86 86 GLU CB C 86 31.527 31.527 33.007 -1.480 19433 404 1 . 1 1 86 86 GLU H H 86 8.754 8.754 8.005 0.749 19433 405 1 . 1 1 87 87 LEU N N 87 120.087 120.087 119.910 0.177 19433 406 1 . 1 1 87 87 LEU HA H 87 4.861 4.861 5.136 -0.275 19433 407 1 . 1 1 87 87 LEU CA C 87 51.130 51.130 54.062 -2.932 19433 408 1 . 1 1 87 87 LEU CB C 87 41.260 41.260 43.553 -2.294 19433 409 1 . 1 1 87 87 LEU H H 87 8.394 8.394 8.457 -0.063 19433 410 1 . 1 1 88 88 ASP N N 88 123.072 123.072 119.378 3.694 19433 411 1 . 1 1 88 88 ASP HA H 88 4.659 4.659 4.800 -0.141 19433 412 1 . 1 1 88 88 ASP CA C 88 49.219 49.219 53.037 -3.818 19433 413 1 . 1 1 88 88 ASP CB C 88 39.107 39.107 43.415 -4.308 19433 414 1 . 1 1 88 88 ASP H H 88 8.770 8.770 8.368 0.402 19433 415 1 . 1 1 89 89 GLU N N 89 117.437 117.437 118.141 -0.704 19433 416 1 . 1 1 89 89 GLU HA H 89 4.076 4.076 4.000 0.076 19433 417 1 . 1 1 89 89 GLU CA C 89 55.988 55.988 59.301 -3.313 19433 418 1 . 1 1 89 89 GLU CB C 89 26.162 26.162 28.847 -2.685 19433 419 1 . 1 1 89 89 GLU H H 89 9.033 9.033 8.829 0.204 19433 420 1 . 1 1 90 90 ASN N N 90 118.824 118.824 118.521 0.303 19433 421 1 . 1 1 90 90 ASN HA H 90 4.786 4.786 4.820 -0.034 19433 422 1 . 1 1 90 90 ASN CA C 90 50.170 50.170 52.821 -2.651 19433 423 1 . 1 1 90 90 ASN CB C 90 36.696 36.696 39.507 -2.811 19433 424 1 . 1 1 90 90 ASN H H 90 8.351 8.351 8.203 0.148 19433 425 1 . 1 1 91 91 ALA N N 91 118.167 118.167 121.457 -3.290 19433 426 1 . 1 1 91 91 ALA HA H 91 3.752 3.752 3.857 -0.105 19433 427 1 . 1 1 91 91 ALA CA C 91 51.255 51.255 53.165 -1.910 19433 428 1 . 1 1 91 91 ALA CB C 91 13.918 13.918 17.527 -3.609 19433 429 1 . 1 1 91 91 ALA H H 91 8.284 8.284 8.017 0.267 19433 430 1 . 1 1 92 92 ASP N N 92 118.574 118.574 118.607 -0.033 19433 431 1 . 1 1 92 92 ASP HA H 92 4.932 4.932 4.873 0.059 19433 432 1 . 1 1 92 92 ASP CA C 92 50.816 50.816 53.876 -3.060 19433 433 1 . 1 1 92 92 ASP CB C 92 39.170 39.170 42.973 -3.803 19433 434 1 . 1 1 92 92 ASP H H 92 8.215 8.215 7.970 0.245 19433 435 1 . 1 1 93 93 VAL N N 93 121.604 121.604 121.844 -0.240 19433 436 1 . 1 1 93 93 VAL HA H 93 4.069 4.069 4.169 -0.100 19433 437 1 . 1 1 93 93 VAL CA C 93 60.454 60.454 62.805 -2.351 19433 438 1 . 1 1 93 93 VAL CB C 93 28.988 28.988 31.275 -2.287 19433 439 1 . 1 1 93 93 VAL H H 93 8.440 8.440 8.538 -0.098 19433 440 1 . 1 1 94 94 GLN N N 94 125.344 125.344 125.999 -0.655 19433 441 1 . 1 1 94 94 GLN HA H 94 4.761 4.761 4.779 -0.018 19433 442 1 . 1 1 94 94 GLN CA C 94 50.314 50.314 53.336 -3.022 19433 443 1 . 1 1 94 94 GLN CB C 94 29.399 29.399 31.322 -1.923 19433 444 1 . 1 1 94 94 GLN H H 94 8.958 8.958 8.140 0.818 19433 445 1 . 1 1 95 95 VAL N N 95 119.370 119.370 118.511 0.859 19433 446 1 . 1 1 95 95 VAL HA H 95 5.061 5.061 4.625 0.436 19433 447 1 . 1 1 95 95 VAL CA C 95 57.280 57.280 61.629 -4.349 19433 448 1 . 1 1 95 95 VAL CB C 95 30.926 30.926 34.501 -3.575 19433 449 1 . 1 1 95 95 VAL H H 95 8.420 8.420 8.432 -0.012 19433 450 1 . 1 1 96 96 PHE N N 96 126.219 126.219 127.429 -1.210 19433 451 1 . 1 1 96 96 PHE HA H 96 5.032 5.032 5.125 -0.093 19433 452 1 . 1 1 96 96 PHE CA C 96 53.890 53.890 56.310 -2.420 19433 453 1 . 1 1 96 96 PHE CB C 96 40.503 40.503 43.840 -3.337 19433 454 1 . 1 1 96 96 PHE H H 96 9.314 9.314 9.183 0.131 19433 455 1 . 1 1 97 97 ILE N N 97 123.424 123.424 116.022 7.403 19433 456 1 . 1 1 97 97 ILE HA H 97 4.814 4.814 4.090 0.724 19433 457 1 . 1 1 97 97 ILE CA C 97 55.066 55.066 57.182 -2.116 19433 458 1 . 1 1 97 97 ILE CB C 97 37.277 37.277 40.500 -3.223 19433 459 1 . 1 1 97 97 ILE H H 97 7.613 7.613 6.969 0.644 19433 460 1 . 1 1 98 98 PRO HA H 98 4.270 4.270 4.388 -0.118 19433 461 1 . 1 1 98 98 PRO CA C 98 59.998 59.998 62.673 -2.675 19433 462 1 . 1 1 98 98 PRO CB C 98 29.657 29.657 31.156 -1.499 19433 463 1 . 1 1 99 99 GLN N N 99 121.028 121.028 122.635 -1.607 19433 464 1 . 1 1 99 99 GLN HA H 99 4.455 4.455 4.454 0.002 19433 465 1 . 1 1 99 99 GLN CA C 99 52.620 52.620 54.748 -2.128 19433 466 1 . 1 1 99 99 GLN CB C 99 28.443 28.443 31.396 -2.953 19433 467 1 . 1 1 99 99 GLN H H 99 8.507 8.507 8.082 0.425 19433 468 1 . 1 1 100 100 GLY N N 100 110.029 110.029 108.785 1.244 19433 469 1 . 1 1 100 100 GLY CA C 100 42.628 42.628 45.591 -2.962 19433 470 1 . 1 1 100 100 GLY H H 100 8.356 8.356 8.457 -0.100 19433 471 1 . 1 1 101 101 GLU N N 101 120.385 120.385 122.185 -1.800 19433 472 1 . 1 1 101 101 GLU HA H 101 4.291 4.291 4.440 -0.149 19433 473 1 . 1 1 101 101 GLU CA C 101 53.751 53.751 55.997 -2.246 19433 474 1 . 1 1 101 101 GLU CB C 101 27.830 27.830 28.816 -0.986 19433 475 1 . 1 1 101 101 GLU H H 101 8.378 8.378 8.534 -0.156 19433 476 1 . 1 1 102 102 ILE N N 102 120.838 120.838 120.533 0.305 19433 477 1 . 1 1 102 102 ILE HA H 102 4.166 4.166 4.346 -0.180 19433 478 1 . 1 1 102 102 ILE CA C 102 58.368 58.368 60.773 -2.405 19433 479 1 . 1 1 102 102 ILE CB C 102 36.713 36.713 38.263 -1.550 19433 480 1 . 1 1 102 102 ILE H H 102 8.168 8.168 7.848 0.320 19433 stop_ save_