data_19604 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19604 _Entry.PDB_ID 2MGU 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 19604 _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 ASP HA H 2 4.640 4.640 4.422 0.218 19604 2 1 1 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.709 -0.096 19604 3 1 1 . 1 1 2 2 ASP CB C 2 41.351 41.351 40.254 1.097 19604 4 1 1 . 1 1 3 3 GLN N N 3 120.300 120.300 117.687 2.613 19604 5 1 1 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.545 -0.172 19604 6 1 1 . 1 1 3 3 GLN CA C 3 55.498 55.498 54.937 0.561 19604 7 1 1 . 1 1 3 3 GLN CB C 3 29.778 29.778 30.223 -0.445 19604 8 1 1 . 1 1 3 3 GLN H H 3 8.388 8.388 8.034 0.354 19604 9 1 1 . 1 1 4 4 LEU N N 4 123.525 123.525 122.355 1.170 19604 10 1 1 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.917 -0.230 19604 11 1 1 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.664 -0.305 19604 12 1 1 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.222 0.431 19604 13 1 1 . 1 1 4 4 LEU H H 4 8.299 8.299 8.624 -0.325 19604 14 1 1 . 1 1 5 5 THR N N 5 113.299 113.299 113.089 0.210 19604 15 1 1 . 1 1 5 5 THR HA H 5 4.476 4.476 4.503 -0.027 19604 16 1 1 . 1 1 5 5 THR CA C 5 60.463 60.463 59.834 0.629 19604 17 1 1 . 1 1 5 5 THR CB C 5 71.250 71.250 70.914 0.336 19604 18 1 1 . 1 1 5 5 THR H H 5 8.651 8.651 7.863 0.788 19604 19 1 1 . 1 1 6 6 GLU N N 6 120.620 120.620 120.720 -0.100 19604 20 1 1 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.976 -0.001 19604 21 1 1 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.095 -0.160 19604 22 1 1 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.735 -0.536 19604 23 1 1 . 1 1 6 6 GLU H H 6 9.014 9.014 8.818 0.196 19604 24 1 1 . 1 1 7 7 GLU N N 7 119.586 119.586 118.525 1.061 19604 25 1 1 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.103 -0.035 19604 26 1 1 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.089 0.854 19604 27 1 1 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.219 -0.141 19604 28 1 1 . 1 1 7 7 GLU H H 7 8.713 8.713 8.616 0.097 19604 29 1 1 . 1 1 8 8 GLN N N 8 120.413 120.413 119.052 1.361 19604 30 1 1 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.158 -0.333 19604 31 1 1 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.243 0.532 19604 32 1 1 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.742 0.718 19604 33 1 1 . 1 1 8 8 GLN H H 8 7.719 7.719 7.622 0.097 19604 34 1 1 . 1 1 9 9 ILE N N 9 119.362 119.362 120.656 -1.294 19604 35 1 1 . 1 1 9 9 ILE HA H 9 3.668 3.668 4.035 -0.367 19604 36 1 1 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.906 1.329 19604 37 1 1 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.877 -0.056 19604 38 1 1 . 1 1 9 9 ILE H H 9 8.267 8.267 8.702 -0.435 19604 39 1 1 . 1 1 10 10 ALA N N 10 121.321 121.321 121.744 -0.423 19604 40 1 1 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.972 0.146 19604 41 1 1 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.567 -0.170 19604 42 1 1 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.911 -0.115 19604 43 1 1 . 1 1 10 10 ALA H H 10 8.023 8.023 8.210 -0.187 19604 44 1 1 . 1 1 11 11 GLU N N 11 119.865 119.865 118.749 1.116 19604 45 1 1 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.023 0.118 19604 46 1 1 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.800 0.611 19604 47 1 1 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.462 -0.254 19604 48 1 1 . 1 1 11 11 GLU H H 11 7.761 7.761 7.738 0.023 19604 49 1 1 . 1 1 12 12 PHE N N 12 119.971 119.971 118.781 1.190 19604 50 1 1 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.276 0.747 19604 51 1 1 . 1 1 12 12 PHE CA C 12 58.712 58.712 61.113 -2.401 19604 52 1 1 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.834 -1.317 19604 53 1 1 . 1 1 12 12 PHE H H 12 8.479 8.479 7.379 1.100 19604 54 1 1 . 1 1 13 13 LYS N N 13 123.604 123.604 118.616 4.988 19604 55 1 1 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.092 -0.118 19604 56 1 1 . 1 1 13 13 LYS CA C 13 59.956 59.956 59.948 0.008 19604 57 1 1 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.323 -0.545 19604 58 1 1 . 1 1 13 13 LYS H H 13 9.222 9.222 8.866 0.356 19604 59 1 1 . 1 1 14 14 GLU N N 14 120.976 120.976 118.766 2.210 19604 60 1 1 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.169 -0.056 19604 61 1 1 . 1 1 14 14 GLU CA C 14 59.562 59.562 58.809 0.753 19604 62 1 1 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.357 0.058 19604 63 1 1 . 1 1 14 14 GLU H H 14 7.924 7.924 7.764 0.160 19604 64 1 1 . 1 1 15 15 ALA N N 15 122.303 122.303 122.459 -0.156 19604 65 1 1 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.118 0.206 19604 66 1 1 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.880 0.258 19604 67 1 1 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.237 -0.235 19604 68 1 1 . 1 1 15 15 ALA H H 15 7.990 7.990 7.806 0.184 19604 69 1 1 . 1 1 16 16 PHE N N 16 119.011 119.011 119.352 -0.341 19604 70 1 1 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.521 -0.251 19604 71 1 1 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.584 0.404 19604 72 1 1 . 1 1 16 16 PHE CB C 16 39.906 39.906 38.941 0.965 19604 73 1 1 . 1 1 16 16 PHE H H 16 8.666 8.666 7.664 1.002 19604 74 1 1 . 1 1 17 17 SER N N 17 113.988 113.988 114.077 -0.089 19604 75 1 1 . 1 1 17 17 SER HA H 17 4.086 4.086 4.050 0.036 19604 76 1 1 . 1 1 17 17 SER CA C 17 61.532 61.532 61.131 0.401 19604 77 1 1 . 1 1 17 17 SER CB C 17 62.921 62.921 63.249 -0.328 19604 78 1 1 . 1 1 17 17 SER H H 17 8.202 8.202 7.698 0.504 19604 79 1 1 . 1 1 18 18 LEU N N 18 120.913 120.913 120.227 0.686 19604 80 1 1 . 1 1 18 18 LEU HA H 18 3.950 3.950 3.959 -0.009 19604 81 1 1 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.202 0.285 19604 82 1 1 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.868 -0.345 19604 83 1 1 . 1 1 18 18 LEU H H 18 7.280 7.280 7.223 0.057 19604 84 1 1 . 1 1 19 19 PHE N N 19 113.613 113.613 113.459 0.154 19604 85 1 1 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.282 -0.250 19604 86 1 1 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.360 0.046 19604 87 1 1 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.484 2.073 19604 88 1 1 . 1 1 19 19 PHE H H 19 7.070 7.070 7.244 -0.174 19604 89 1 1 . 1 1 20 20 ASP N N 20 117.393 117.393 119.553 -2.160 19604 90 1 1 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.547 0.046 19604 91 1 1 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.559 -1.091 19604 92 1 1 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.046 -0.750 19604 93 1 1 . 1 1 20 20 ASP H H 20 7.790 7.790 7.831 -0.041 19604 94 1 1 . 1 1 21 21 LYS N N 21 124.292 124.292 123.645 0.647 19604 95 1 1 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.049 -0.071 19604 96 1 1 . 1 1 21 21 LYS CA C 21 58.320 58.320 57.873 0.447 19604 97 1 1 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.670 0.003 19604 98 1 1 . 1 1 21 21 LYS H H 21 7.707 7.707 8.073 -0.366 19604 99 1 1 . 1 1 22 22 ASP N N 22 114.139 114.139 114.995 -0.856 19604 100 1 1 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.510 0.070 19604 101 1 1 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.754 -0.963 19604 102 1 1 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.224 -0.659 19604 103 1 1 . 1 1 22 22 ASP H H 22 8.025 8.025 8.265 -0.240 19604 104 1 1 . 1 1 23 23 GLY N N 23 109.378 109.378 109.319 0.059 19604 105 1 1 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.252 0.964 19604 106 1 1 . 1 1 23 23 GLY H H 23 7.661 7.661 7.701 -0.040 19604 107 1 1 . 1 1 24 24 ASP N N 24 121.022 121.022 119.944 1.078 19604 108 1 1 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.527 -0.012 19604 109 1 1 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.582 0.096 19604 110 1 1 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.569 -1.065 19604 111 1 1 . 1 1 24 24 ASP H H 24 8.466 8.466 8.263 0.203 19604 112 1 1 . 1 1 25 25 GLY N N 25 112.810 112.810 109.149 3.661 19604 113 1 1 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.263 0.083 19604 114 1 1 . 1 1 25 25 GLY H H 25 10.507 10.507 9.003 1.504 19604 115 1 1 . 1 1 26 26 THR N N 26 112.094 112.094 113.393 -1.299 19604 116 1 1 . 1 1 26 26 THR HA H 26 5.431 5.431 5.353 0.078 19604 117 1 1 . 1 1 26 26 THR CA C 26 59.576 59.576 60.317 -0.741 19604 118 1 1 . 1 1 26 26 THR CB C 26 72.730 72.730 71.634 1.096 19604 119 1 1 . 1 1 26 26 THR H H 26 8.191 8.191 8.395 -0.204 19604 120 1 1 . 1 1 27 27 ILE N N 27 126.447 126.447 127.784 -1.337 19604 121 1 1 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.700 0.067 19604 122 1 1 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.981 0.149 19604 123 1 1 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.353 1.635 19604 124 1 1 . 1 1 27 27 ILE H H 27 9.845 9.845 8.884 0.961 19604 125 1 1 . 1 1 28 28 THR N N 28 116.315 116.315 118.153 -1.838 19604 126 1 1 . 1 1 28 28 THR HA H 28 4.894 4.894 4.948 -0.054 19604 127 1 1 . 1 1 28 28 THR CA C 28 59.217 59.217 59.430 -0.213 19604 128 1 1 . 1 1 28 28 THR CB C 28 72.480 72.480 71.621 0.859 19604 129 1 1 . 1 1 28 28 THR H H 28 8.322 8.322 9.277 -0.955 19604 130 1 1 . 1 1 29 29 THR N N 29 112.270 112.270 114.003 -1.733 19604 131 1 1 . 1 1 29 29 THR HA H 29 3.790 3.790 4.021 -0.231 19604 132 1 1 . 1 1 29 29 THR CA C 29 66.207 66.207 66.478 -0.272 19604 133 1 1 . 1 1 29 29 THR CB C 29 67.737 67.737 68.573 -0.836 19604 134 1 1 . 1 1 29 29 THR H H 29 9.251 9.251 8.833 0.418 19604 135 1 1 . 1 1 30 30 LYS N N 30 121.127 121.127 121.967 -0.840 19604 136 1 1 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.066 0.052 19604 137 1 1 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.806 -0.549 19604 138 1 1 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.185 0.348 19604 139 1 1 . 1 1 30 30 LYS H H 30 7.569 7.569 7.926 -0.357 19604 140 1 1 . 1 1 31 31 GLU N N 31 121.876 121.876 119.617 2.259 19604 141 1 1 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.113 -0.097 19604 142 1 1 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.170 0.287 19604 143 1 1 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.718 -0.167 19604 144 1 1 . 1 1 31 31 GLU H H 31 7.715 7.715 7.622 0.093 19604 145 1 1 . 1 1 32 32 LEU N N 32 120.674 120.674 121.657 -0.983 19604 146 1 1 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.208 -0.014 19604 147 1 1 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.477 0.709 19604 148 1 1 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.102 0.054 19604 149 1 1 . 1 1 32 32 LEU H H 32 8.592 8.592 8.544 0.048 19604 150 1 1 . 1 1 33 33 GLY N N 33 106.859 106.859 105.021 1.838 19604 151 1 1 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.585 0.642 19604 152 1 1 . 1 1 33 33 GLY H H 33 8.861 8.861 8.487 0.374 19604 153 1 1 . 1 1 34 34 THR N N 34 118.512 118.512 118.903 -0.391 19604 154 1 1 . 1 1 34 34 THR HA H 34 3.935 3.935 3.989 -0.054 19604 155 1 1 . 1 1 34 34 THR CA C 34 66.964 66.964 66.936 0.027 19604 156 1 1 . 1 1 34 34 THR CB C 34 68.610 68.610 68.873 -0.263 19604 157 1 1 . 1 1 34 34 THR H H 34 7.965 7.965 7.396 0.569 19604 158 1 1 . 1 1 35 35 VAL N N 35 122.456 122.456 121.934 0.522 19604 159 1 1 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.494 0.077 19604 160 1 1 . 1 1 35 35 VAL CA C 35 66.559 66.559 67.108 -0.549 19604 161 1 1 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.766 -0.235 19604 162 1 1 . 1 1 35 35 VAL H H 35 7.532 7.532 7.403 0.129 19604 163 1 1 . 1 1 36 36 MET N N 36 118.015 118.015 116.771 1.244 19604 164 1 1 . 1 1 36 36 MET HA H 36 3.899 3.899 4.129 -0.230 19604 165 1 1 . 1 1 36 36 MET CA C 36 60.156 60.156 59.012 1.144 19604 166 1 1 . 1 1 36 36 MET CB C 36 31.731 31.731 32.232 -0.501 19604 167 1 1 . 1 1 36 36 MET H H 36 8.525 8.525 8.276 0.249 19604 168 1 1 . 1 1 37 37 ARG N N 37 119.604 119.604 119.665 -0.061 19604 169 1 1 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.016 0.765 19604 170 1 1 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.743 -0.487 19604 171 1 1 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.710 -0.097 19604 172 1 1 . 1 1 37 37 ARG H H 37 8.579 8.579 7.721 0.858 19604 173 1 1 . 1 1 38 38 SER N N 38 119.543 119.543 112.989 6.554 19604 174 1 1 . 1 1 38 38 SER HA H 38 4.396 4.396 4.282 0.114 19604 175 1 1 . 1 1 38 38 SER CA C 38 61.758 61.758 60.790 0.968 19604 176 1 1 . 1 1 38 38 SER CB C 38 62.691 62.691 62.655 0.036 19604 177 1 1 . 1 1 38 38 SER H H 38 7.939 7.939 7.745 0.194 19604 178 1 1 . 1 1 39 39 LEU N N 39 120.454 120.454 119.624 0.830 19604 179 1 1 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.386 0.055 19604 180 1 1 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.483 -0.867 19604 181 1 1 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.575 -0.445 19604 182 1 1 . 1 1 39 39 LEU H H 39 7.394 7.394 7.505 -0.111 19604 183 1 1 . 1 1 40 40 GLY N N 40 107.378 107.378 106.634 0.744 19604 184 1 1 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.544 1.071 19604 185 1 1 . 1 1 40 40 GLY H H 40 7.897 7.897 7.594 0.303 19604 186 1 1 . 1 1 41 41 GLN N N 41 118.330 118.330 120.700 -2.370 19604 187 1 1 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.553 -0.052 19604 188 1 1 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.611 -0.293 19604 189 1 1 . 1 1 41 41 GLN CB C 41 30.494 30.494 30.593 -0.099 19604 190 1 1 . 1 1 41 41 GLN H H 41 7.883 7.883 8.172 -0.289 19604 191 1 1 . 1 1 42 42 ASN N N 42 116.488 116.488 124.244 -7.756 19604 192 1 1 . 1 1 42 42 ASN HA H 42 5.212 5.212 4.994 0.218 19604 193 1 1 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.886 1.242 19604 194 1 1 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.502 0.669 19604 195 1 1 . 1 1 42 42 ASN H H 42 8.697 8.697 8.503 0.194 19604 196 1 1 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.517 0.267 19604 197 1 1 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.642 -0.320 19604 198 1 1 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.763 -0.485 19604 199 1 1 . 1 1 44 44 THR N N 44 112.452 112.452 112.498 -0.046 19604 200 1 1 . 1 1 44 44 THR HA H 44 4.461 4.461 4.414 0.047 19604 201 1 1 . 1 1 44 44 THR CA C 44 60.411 60.411 60.685 -0.274 19604 202 1 1 . 1 1 44 44 THR CB C 44 71.068 71.068 71.232 -0.164 19604 203 1 1 . 1 1 44 44 THR H H 44 8.678 8.678 8.184 0.494 19604 204 1 1 . 1 1 45 45 GLU N N 45 120.954 120.954 123.592 -2.638 19604 205 1 1 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.907 0.103 19604 206 1 1 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.321 -0.438 19604 207 1 1 . 1 1 45 45 GLU H H 45 8.803 8.803 9.028 -0.225 19604 208 1 1 . 1 1 46 46 ALA N N 46 120.643 120.643 119.893 0.750 19604 209 1 1 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.250 -0.133 19604 210 1 1 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.505 0.508 19604 211 1 1 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.236 -0.063 19604 212 1 1 . 1 1 46 46 ALA H H 46 8.272 8.272 8.254 0.018 19604 213 1 1 . 1 1 47 47 GLU N N 47 119.059 119.059 120.187 -1.128 19604 214 1 1 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.074 -0.039 19604 215 1 1 . 1 1 47 47 GLU CA C 47 59.163 59.163 58.955 0.208 19604 216 1 1 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.660 0.267 19604 217 1 1 . 1 1 47 47 GLU H H 47 7.686 7.686 7.515 0.171 19604 218 1 1 . 1 1 48 48 LEU N N 48 119.848 119.848 120.060 -0.212 19604 219 1 1 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.910 0.115 19604 220 1 1 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.199 -0.358 19604 221 1 1 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.878 0.552 19604 222 1 1 . 1 1 48 48 LEU H H 48 8.036 8.036 8.582 -0.546 19604 223 1 1 . 1 1 49 49 GLN N N 49 118.226 118.226 118.009 0.217 19604 224 1 1 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.954 -0.151 19604 225 1 1 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.703 -0.142 19604 226 1 1 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.835 0.407 19604 227 1 1 . 1 1 49 49 GLN H H 49 8.323 8.323 7.857 0.466 19604 228 1 1 . 1 1 50 50 ASP N N 50 119.928 119.928 119.152 0.776 19604 229 1 1 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.395 0.003 19604 230 1 1 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.341 0.268 19604 231 1 1 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.783 -0.150 19604 232 1 1 . 1 1 50 50 ASP H H 50 8.147 8.147 7.384 0.763 19604 233 1 1 . 1 1 51 51 MET N N 51 117.796 117.796 118.994 -1.198 19604 234 1 1 . 1 1 51 51 MET HA H 51 4.050 4.050 3.981 0.069 19604 235 1 1 . 1 1 51 51 MET CA C 51 59.555 59.555 60.009 -0.454 19604 236 1 1 . 1 1 51 51 MET CB C 51 32.846 32.846 32.695 0.151 19604 237 1 1 . 1 1 51 51 MET H H 51 7.814 7.814 7.965 -0.151 19604 238 1 1 . 1 1 52 52 ILE N N 52 118.474 118.474 118.275 0.199 19604 239 1 1 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.547 0.052 19604 240 1 1 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.963 -0.857 19604 241 1 1 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.433 -0.374 19604 242 1 1 . 1 1 52 52 ILE H H 52 7.685 7.685 7.886 -0.201 19604 243 1 1 . 1 1 53 53 ASN N N 53 118.591 118.591 117.853 0.738 19604 244 1 1 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.388 0.029 19604 245 1 1 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.673 0.232 19604 246 1 1 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.913 0.078 19604 247 1 1 . 1 1 53 53 ASN H H 53 8.786 8.786 7.991 0.795 19604 248 1 1 . 1 1 54 54 GLU N N 54 115.327 115.327 117.145 -1.818 19604 249 1 1 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.085 -0.037 19604 250 1 1 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.498 0.579 19604 251 1 1 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.781 1.144 19604 252 1 1 . 1 1 54 54 GLU H H 54 7.368 7.368 8.000 -0.632 19604 253 1 1 . 1 1 55 55 VAL N N 55 111.285 111.285 111.371 -0.086 19604 254 1 1 . 1 1 55 55 VAL HA H 55 4.227 4.227 3.930 0.297 19604 255 1 1 . 1 1 55 55 VAL CA C 55 60.832 60.832 63.310 -2.478 19604 256 1 1 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.885 1.431 19604 257 1 1 . 1 1 55 55 VAL H H 55 7.133 7.133 7.169 -0.036 19604 258 1 1 . 1 1 56 56 ASP N N 56 121.291 121.291 121.024 0.267 19604 259 1 1 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.758 -0.290 19604 260 1 1 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.130 -0.430 19604 261 1 1 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.217 0.366 19604 262 1 1 . 1 1 56 56 ASP H H 56 7.567 7.567 7.702 -0.135 19604 263 1 1 . 1 1 57 57 ALA N N 57 131.432 131.432 130.236 1.196 19604 264 1 1 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.184 0.045 19604 265 1 1 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.794 0.561 19604 266 1 1 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.950 -0.255 19604 267 1 1 . 1 1 57 57 ALA H H 57 8.064 8.064 8.639 -0.575 19604 268 1 1 . 1 1 58 58 ASP N N 58 114.063 114.063 116.609 -2.546 19604 269 1 1 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.569 0.068 19604 270 1 1 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.623 -0.855 19604 271 1 1 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.658 -0.811 19604 272 1 1 . 1 1 58 58 ASP H H 58 8.211 8.211 8.008 0.203 19604 273 1 1 . 1 1 59 59 GLY N N 59 108.646 108.646 109.288 -0.642 19604 274 1 1 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.861 1.339 19604 275 1 1 . 1 1 59 59 GLY H H 59 7.584 7.584 7.909 -0.325 19604 276 1 1 . 1 1 60 60 ASN N N 60 118.886 118.886 118.717 0.169 19604 277 1 1 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.749 -0.129 19604 278 1 1 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.144 0.533 19604 279 1 1 . 1 1 60 60 ASN CB C 60 37.579 37.579 40.010 -2.431 19604 280 1 1 . 1 1 60 60 ASN H H 60 8.162 8.162 8.824 -0.662 19604 281 1 1 . 1 1 61 61 GLY N N 61 113.458 113.458 110.155 3.303 19604 282 1 1 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.561 0.078 19604 283 1 1 . 1 1 61 61 GLY H H 61 10.568 10.568 9.144 1.424 19604 284 1 1 . 1 1 62 62 THR N N 62 108.490 108.490 109.580 -1.090 19604 285 1 1 . 1 1 62 62 THR HA H 62 4.800 4.800 5.214 -0.414 19604 286 1 1 . 1 1 62 62 THR CA C 62 59.327 59.327 59.523 -0.196 19604 287 1 1 . 1 1 62 62 THR CB C 62 72.409 72.409 72.568 -0.159 19604 288 1 1 . 1 1 62 62 THR H H 62 7.643 7.643 8.258 -0.615 19604 289 1 1 . 1 1 63 63 ILE N N 63 123.350 123.350 123.970 -0.620 19604 290 1 1 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.732 0.482 19604 291 1 1 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.770 -1.719 19604 292 1 1 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.264 1.341 19604 293 1 1 . 1 1 63 63 ILE H H 63 8.544 8.544 8.488 0.056 19604 294 1 1 . 1 1 64 64 ASP N N 64 128.480 128.480 128.934 -0.454 19604 295 1 1 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.065 0.442 19604 296 1 1 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.424 -1.439 19604 297 1 1 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.491 0.712 19604 298 1 1 . 1 1 64 64 ASP H H 64 8.902 8.902 8.255 0.647 19604 299 1 1 . 1 1 65 65 PHE N N 65 118.622 118.622 120.380 -1.758 19604 300 1 1 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.563 0.416 19604 301 1 1 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.542 1.543 19604 302 1 1 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.663 -0.761 19604 303 1 1 . 1 1 65 65 PHE H H 65 8.967 8.967 8.798 0.169 19604 304 1 1 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.672 0.216 19604 305 1 1 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.841 2.009 19604 306 1 1 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.706 0.094 19604 307 1 1 . 1 1 67 67 GLU N N 67 118.243 118.243 118.670 -0.427 19604 308 1 1 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.952 0.013 19604 309 1 1 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.799 -0.754 19604 310 1 1 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.952 0.922 19604 311 1 1 . 1 1 67 67 GLU H H 67 8.420 8.420 8.237 0.183 19604 312 1 1 . 1 1 68 68 PHE N N 68 124.020 124.020 119.685 4.335 19604 313 1 1 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.349 -0.564 19604 314 1 1 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.726 0.761 19604 315 1 1 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.631 1.151 19604 316 1 1 . 1 1 68 68 PHE H H 68 8.638 8.638 7.633 1.005 19604 317 1 1 . 1 1 69 69 LEU N N 69 120.062 120.062 120.502 -0.440 19604 318 1 1 . 1 1 69 69 LEU HA H 69 3.368 3.368 4.006 -0.638 19604 319 1 1 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.668 0.186 19604 320 1 1 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.622 -0.237 19604 321 1 1 . 1 1 69 69 LEU H H 69 8.972 8.972 7.477 1.495 19604 322 1 1 . 1 1 70 70 THR N N 70 115.488 115.488 114.397 1.091 19604 323 1 1 . 1 1 70 70 THR HA H 70 3.697 3.697 3.689 0.008 19604 324 1 1 . 1 1 70 70 THR CA C 70 66.558 66.558 66.173 0.385 19604 325 1 1 . 1 1 70 70 THR CB C 70 68.396 68.396 68.547 -0.151 19604 326 1 1 . 1 1 70 70 THR H H 70 7.855 7.855 8.184 -0.329 19604 327 1 1 . 1 1 71 71 MET N N 71 119.627 119.627 120.465 -0.838 19604 328 1 1 . 1 1 71 71 MET HA H 71 3.757 3.757 4.008 -0.251 19604 329 1 1 . 1 1 71 71 MET CA C 71 58.334 58.334 59.032 -0.698 19604 330 1 1 . 1 1 71 71 MET CB C 71 30.736 30.736 32.343 -1.607 19604 331 1 1 . 1 1 71 71 MET H H 71 7.155 7.155 7.392 -0.237 19604 332 1 1 . 1 1 72 72 MET N N 72 116.046 116.046 116.568 -0.522 19604 333 1 1 . 1 1 72 72 MET HA H 72 3.977 3.977 4.213 -0.236 19604 334 1 1 . 1 1 72 72 MET CA C 72 55.138 55.138 57.183 -2.045 19604 335 1 1 . 1 1 72 72 MET CB C 72 29.103 29.103 31.982 -2.878 19604 336 1 1 . 1 1 72 72 MET H H 72 7.646 7.646 7.492 0.154 19604 337 1 1 . 1 1 73 73 ALA N N 73 120.685 120.685 121.942 -1.257 19604 338 1 1 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.941 0.241 19604 339 1 1 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.734 -1.634 19604 340 1 1 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.996 1.296 19604 341 1 1 . 1 1 73 73 ALA H H 73 8.080 8.080 7.784 0.296 19604 342 1 1 . 1 1 74 74 ARG N N 74 118.501 118.501 118.593 -0.092 19604 343 1 1 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.964 0.224 19604 344 1 1 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.881 -1.904 19604 345 1 1 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.973 0.544 19604 346 1 1 . 1 1 74 74 ARG H H 74 7.367 7.367 8.046 -0.679 19604 347 1 1 . 1 1 76 76 MET HA H 76 4.413 4.413 4.206 0.207 19604 348 1 1 . 1 1 76 76 MET CA C 76 55.804 55.804 57.617 -1.813 19604 349 1 1 . 1 1 76 76 MET CB C 76 33.291 33.291 33.173 0.118 19604 350 1 1 . 1 1 77 77 LYS N N 77 121.563 121.563 114.778 6.785 19604 351 1 1 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.550 -0.229 19604 352 1 1 . 1 1 77 77 LYS CA C 77 56.418 56.418 54.913 1.505 19604 353 1 1 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.722 -1.471 19604 354 1 1 . 1 1 77 77 LYS H H 77 8.253 8.253 7.749 0.504 19604 355 1 1 . 1 1 78 78 ASP N N 78 121.953 121.953 119.197 2.756 19604 356 1 1 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.352 0.266 19604 357 1 1 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.310 -0.455 19604 358 1 1 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.684 0.432 19604 359 1 1 . 1 1 78 78 ASP H H 78 8.362 8.362 8.651 -0.289 19604 360 1 1 . 1 1 79 79 THR N N 79 113.276 113.276 112.720 0.556 19604 361 1 1 . 1 1 79 79 THR HA H 79 4.305 4.305 4.040 0.265 19604 362 1 1 . 1 1 79 79 THR CA C 79 62.124 62.124 63.247 -1.123 19604 363 1 1 . 1 1 79 79 THR CB C 79 69.634 69.634 69.008 0.626 19604 364 1 1 . 1 1 79 79 THR H H 79 8.014 8.014 8.402 -0.388 19604 365 1 1 . 1 1 80 80 ASP N N 80 122.850 122.850 122.350 0.500 19604 366 1 1 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.691 -0.016 19604 367 1 1 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.590 0.065 19604 368 1 1 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.461 -0.037 19604 369 1 1 . 1 1 80 80 ASP H H 80 8.316 8.316 8.297 0.019 19604 370 1 1 . 1 1 81 81 SER N N 81 116.864 116.864 116.149 0.715 19604 371 1 1 . 1 1 81 81 SER HA H 81 4.429 4.429 4.116 0.313 19604 372 1 1 . 1 1 81 81 SER CA C 81 59.337 59.337 60.731 -1.394 19604 373 1 1 . 1 1 81 81 SER CB C 81 63.672 63.672 63.167 0.505 19604 374 1 1 . 1 1 81 81 SER H H 81 8.391 8.391 8.159 0.232 19604 375 1 1 . 1 1 82 82 GLU N N 82 122.561 122.561 121.845 0.716 19604 376 1 1 . 1 1 82 82 GLU HA H 82 4.073 4.073 3.999 0.074 19604 377 1 1 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.430 -0.251 19604 378 1 1 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.286 0.226 19604 379 1 1 . 1 1 82 82 GLU H H 82 8.479 8.479 8.647 -0.168 19604 380 1 1 . 1 1 83 83 GLU N N 83 119.348 119.348 119.136 0.212 19604 381 1 1 . 1 1 83 83 GLU HA H 83 4.044 4.044 3.937 0.107 19604 382 1 1 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.748 -0.101 19604 383 1 1 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.475 0.056 19604 384 1 1 . 1 1 83 83 GLU H H 83 8.279 8.279 7.863 0.416 19604 385 1 1 . 1 1 84 84 GLU N N 84 118.810 118.810 117.917 0.893 19604 386 1 1 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.166 -0.053 19604 387 1 1 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.018 0.459 19604 388 1 1 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.254 0.415 19604 389 1 1 . 1 1 84 84 GLU H H 84 8.062 8.062 7.683 0.379 19604 390 1 1 . 1 1 85 85 ILE N N 85 122.019 122.019 120.216 1.803 19604 391 1 1 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.046 -0.128 19604 392 1 1 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.031 0.296 19604 393 1 1 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.895 -0.467 19604 394 1 1 . 1 1 85 85 ILE H H 85 8.008 8.008 7.738 0.270 19604 395 1 1 . 1 1 86 86 ARG N N 86 121.851 121.851 120.336 1.515 19604 396 1 1 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.177 -0.011 19604 397 1 1 . 1 1 86 86 ARG CA C 86 60.026 60.026 60.050 -0.024 19604 398 1 1 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.273 -0.306 19604 399 1 1 . 1 1 86 86 ARG H H 86 8.446 8.446 7.833 0.613 19604 400 1 1 . 1 1 87 87 GLU N N 87 118.621 118.621 119.427 -0.806 19604 401 1 1 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.027 0.083 19604 402 1 1 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.377 -0.270 19604 403 1 1 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.282 0.144 19604 404 1 1 . 1 1 87 87 GLU H H 87 8.149 8.149 8.554 -0.405 19604 405 1 1 . 1 1 88 88 ALA N N 88 121.741 121.741 121.866 -0.125 19604 406 1 1 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.717 0.308 19604 407 1 1 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.850 0.136 19604 408 1 1 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.217 -0.493 19604 409 1 1 . 1 1 88 88 ALA H H 88 7.880 7.880 7.726 0.154 19604 410 1 1 . 1 1 89 89 PHE N N 89 118.057 118.057 119.130 -1.073 19604 411 1 1 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.713 -0.564 19604 412 1 1 . 1 1 89 89 PHE CA C 89 62.366 62.366 60.909 1.457 19604 413 1 1 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.905 0.432 19604 414 1 1 . 1 1 89 89 PHE H H 89 8.463 8.463 7.845 0.618 19604 415 1 1 . 1 1 90 90 ARG N N 90 115.723 115.723 118.908 -3.185 19604 416 1 1 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.939 -0.047 19604 417 1 1 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.132 -0.244 19604 418 1 1 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.180 0.226 19604 419 1 1 . 1 1 90 90 ARG H H 90 7.775 7.775 7.674 0.101 19604 420 1 1 . 1 1 91 91 VAL N N 91 118.161 118.161 117.369 0.792 19604 421 1 1 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.678 -0.154 19604 422 1 1 . 1 1 91 91 VAL CA C 91 65.596 65.596 64.997 0.599 19604 423 1 1 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.735 -0.191 19604 424 1 1 . 1 1 91 91 VAL H H 91 7.484 7.484 7.564 -0.080 19604 425 1 1 . 1 1 92 92 PHE N N 92 117.398 117.398 114.530 2.868 19604 426 1 1 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.468 -0.190 19604 427 1 1 . 1 1 92 92 PHE CA C 92 58.681 58.681 56.928 1.753 19604 428 1 1 . 1 1 92 92 PHE CB C 92 39.854 39.854 39.195 0.659 19604 429 1 1 . 1 1 92 92 PHE H H 92 7.544 7.544 7.111 0.433 19604 430 1 1 . 1 1 93 93 ASP N N 93 117.503 117.503 120.715 -3.212 19604 431 1 1 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.581 -0.040 19604 432 1 1 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.029 -1.847 19604 433 1 1 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.002 -1.575 19604 434 1 1 . 1 1 93 93 ASP H H 93 7.963 7.963 7.765 0.198 19604 435 1 1 . 1 1 94 94 LYS N N 94 125.976 125.976 125.720 0.256 19604 436 1 1 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.084 -0.178 19604 437 1 1 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.245 0.818 19604 438 1 1 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.983 0.050 19604 439 1 1 . 1 1 94 94 LYS H H 94 7.585 7.585 8.157 -0.572 19604 440 1 1 . 1 1 95 95 ASP N N 95 114.100 114.100 115.463 -1.363 19604 441 1 1 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.483 0.071 19604 442 1 1 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.740 -0.674 19604 443 1 1 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.400 -0.651 19604 444 1 1 . 1 1 95 95 ASP H H 95 8.186 8.186 7.914 0.272 19604 445 1 1 . 1 1 96 96 GLY N N 96 109.383 109.383 108.222 1.161 19604 446 1 1 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.074 1.074 19604 447 1 1 . 1 1 96 96 GLY H H 96 7.809 7.809 7.733 0.076 19604 448 1 1 . 1 1 97 97 ASN N N 97 119.744 119.744 119.366 0.378 19604 449 1 1 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.645 0.001 19604 450 1 1 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.792 -0.137 19604 451 1 1 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.935 -0.746 19604 452 1 1 . 1 1 97 97 ASN H H 97 8.336 8.336 8.515 -0.179 19604 453 1 1 . 1 1 98 98 GLY N N 98 112.937 112.937 107.536 5.401 19604 454 1 1 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.495 -0.463 19604 455 1 1 . 1 1 98 98 GLY H H 98 10.653 10.653 8.595 2.058 19604 456 1 1 . 1 1 99 99 TYR N N 99 115.956 115.956 117.862 -1.906 19604 457 1 1 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.980 0.081 19604 458 1 1 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.741 -1.552 19604 459 1 1 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.438 0.606 19604 460 1 1 . 1 1 99 99 TYR H H 99 7.630 7.630 8.380 -0.750 19604 461 1 1 . 1 1 100 100 ILE N N 100 127.360 127.360 123.236 4.124 19604 462 1 1 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.447 0.337 19604 463 1 1 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.322 0.698 19604 464 1 1 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.534 -1.549 19604 465 1 1 . 1 1 100 100 ILE H H 100 10.174 10.174 9.086 1.088 19604 466 1 1 . 1 1 101 101 SER N N 101 124.117 124.117 122.220 1.897 19604 467 1 1 . 1 1 101 101 SER HA H 101 4.885 4.885 4.904 -0.019 19604 468 1 1 . 1 1 101 101 SER CA C 101 55.722 55.722 55.842 -0.120 19604 469 1 1 . 1 1 101 101 SER CB C 101 66.631 66.631 66.307 0.324 19604 470 1 1 . 1 1 101 101 SER H H 101 8.977 8.977 8.580 0.397 19604 471 1 1 . 1 1 102 102 ALA N N 102 123.057 123.057 123.388 -0.331 19604 472 1 1 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.090 -0.166 19604 473 1 1 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.326 0.628 19604 474 1 1 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.435 -0.544 19604 475 1 1 . 1 1 102 102 ALA H H 102 9.261 9.261 9.059 0.202 19604 476 1 1 . 1 1 103 103 ALA N N 103 118.685 118.685 121.179 -2.494 19604 477 1 1 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.036 -0.012 19604 478 1 1 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.671 0.548 19604 479 1 1 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.577 -0.262 19604 480 1 1 . 1 1 103 103 ALA H H 103 8.271 8.271 7.632 0.639 19604 481 1 1 . 1 1 104 104 GLU N N 104 119.737 119.737 119.149 0.588 19604 482 1 1 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.048 -0.011 19604 483 1 1 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.029 0.221 19604 484 1 1 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.757 -0.541 19604 485 1 1 . 1 1 104 104 GLU H H 104 7.857 7.857 7.530 0.327 19604 486 1 1 . 1 1 105 105 LEU N N 105 122.037 122.037 120.957 1.080 19604 487 1 1 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.926 0.110 19604 488 1 1 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.150 -0.098 19604 489 1 1 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.944 0.169 19604 490 1 1 . 1 1 105 105 LEU H H 105 8.685 8.685 8.740 -0.055 19604 491 1 1 . 1 1 106 106 ARG N N 106 118.484 118.484 117.488 0.996 19604 492 1 1 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.879 -0.171 19604 493 1 1 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.709 0.321 19604 494 1 1 . 1 1 106 106 ARG CB C 106 30.317 30.317 30.014 0.303 19604 495 1 1 . 1 1 106 106 ARG H H 106 8.682 8.682 7.792 0.890 19604 496 1 1 . 1 1 107 107 HIS N N 107 118.917 118.917 117.988 0.929 19604 497 1 1 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.396 -0.100 19604 498 1 1 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.095 0.747 19604 499 1 1 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.601 0.975 19604 500 1 1 . 1 1 107 107 HIS H H 107 7.803 7.803 7.461 0.342 19604 501 1 1 . 1 1 108 108 VAL N N 108 119.662 119.662 119.869 -0.207 19604 502 1 1 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.632 -0.174 19604 503 1 1 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.021 0.431 19604 504 1 1 . 1 1 108 108 VAL CB C 108 31.593 31.593 30.787 0.806 19604 505 1 1 . 1 1 108 108 VAL H H 108 7.887 7.887 7.906 -0.019 19604 506 1 1 . 1 1 109 109 MET N N 109 115.981 115.981 117.662 -1.681 19604 507 1 1 . 1 1 109 109 MET HA H 109 4.296 4.296 4.184 0.112 19604 508 1 1 . 1 1 109 109 MET CA C 109 57.062 57.062 57.906 -0.844 19604 509 1 1 . 1 1 109 109 MET H H 109 8.128 8.128 8.178 -0.050 19604 510 1 1 . 1 1 110 110 THR N N 110 116.866 116.866 115.176 1.690 19604 511 1 1 . 1 1 110 110 THR HA H 110 4.080 4.080 3.969 0.111 19604 512 1 1 . 1 1 110 110 THR CA C 110 66.402 66.402 66.495 -0.093 19604 513 1 1 . 1 1 110 110 THR CB C 110 68.574 68.574 68.299 0.275 19604 514 1 1 . 1 1 110 110 THR H H 110 8.302 8.302 7.450 0.852 19604 515 1 1 . 1 1 111 111 ASN N N 111 122.811 122.811 118.552 4.259 19604 516 1 1 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.475 -0.030 19604 517 1 1 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.316 0.495 19604 518 1 1 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.046 -0.071 19604 519 1 1 . 1 1 111 111 ASN H H 111 7.849 7.849 7.556 0.293 19604 520 1 1 . 1 1 112 112 LEU N N 112 118.869 118.869 117.867 1.002 19604 521 1 1 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.344 0.001 19604 522 1 1 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.775 -0.684 19604 523 1 1 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.635 -0.555 19604 524 1 1 . 1 1 112 112 LEU H H 112 7.666 7.666 7.503 0.163 19604 525 1 1 . 1 1 113 113 GLY N N 113 107.124 107.124 106.550 0.574 19604 526 1 1 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.432 0.984 19604 527 1 1 . 1 1 113 113 GLY H H 113 7.818 7.818 7.508 0.310 19604 528 1 1 . 1 1 114 114 GLU N N 114 120.113 120.113 120.544 -0.431 19604 529 1 1 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.509 -0.082 19604 530 1 1 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.098 0.498 19604 531 1 1 . 1 1 114 114 GLU CB C 114 30.710 30.710 30.987 -0.277 19604 532 1 1 . 1 1 114 114 GLU H H 114 7.895 7.895 7.827 0.068 19604 533 1 1 . 1 1 115 115 LYS N N 115 124.920 124.920 127.215 -2.295 19604 534 1 1 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.245 0.135 19604 535 1 1 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.295 -0.902 19604 536 1 1 . 1 1 115 115 LYS CB C 115 32.045 32.045 31.641 0.404 19604 537 1 1 . 1 1 115 115 LYS H H 115 8.583 8.583 8.589 -0.006 19604 538 1 1 . 1 1 116 116 LEU N N 116 124.979 124.979 126.581 -1.602 19604 539 1 1 . 1 1 116 116 LEU HA H 116 4.767 4.767 5.094 -0.327 19604 540 1 1 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.569 0.512 19604 541 1 1 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.003 -0.471 19604 542 1 1 . 1 1 116 116 LEU H H 116 8.082 8.082 7.912 0.170 19604 543 1 1 . 1 1 117 117 THR N N 117 114.448 114.448 112.677 1.771 19604 544 1 1 . 1 1 117 117 THR HA H 117 4.452 4.452 4.605 -0.153 19604 545 1 1 . 1 1 117 117 THR CA C 117 60.690 60.690 59.762 0.928 19604 546 1 1 . 1 1 117 117 THR CB C 117 71.051 71.051 71.164 -0.113 19604 547 1 1 . 1 1 117 117 THR H H 117 9.172 9.172 8.319 0.853 19604 548 1 1 . 1 1 118 118 ASP N N 118 121.175 121.175 120.052 1.123 19604 549 1 1 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.392 -0.179 19604 550 1 1 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.123 -0.131 19604 551 1 1 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.571 -0.901 19604 552 1 1 . 1 1 118 118 ASP H H 118 8.889 8.889 8.735 0.154 19604 553 1 1 . 1 1 119 119 GLU N N 119 119.386 119.386 119.885 -0.499 19604 554 1 1 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.052 0.036 19604 555 1 1 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.827 1.186 19604 556 1 1 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.727 -0.555 19604 557 1 1 . 1 1 119 119 GLU H H 119 8.665 8.665 7.988 0.677 19604 558 1 1 . 1 1 120 120 GLU N N 120 120.564 120.564 119.720 0.844 19604 559 1 1 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.057 -0.075 19604 560 1 1 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.070 0.182 19604 561 1 1 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.738 1.022 19604 562 1 1 . 1 1 120 120 GLU H H 120 7.715 7.715 7.381 0.334 19604 563 1 1 . 1 1 121 121 VAL N N 121 120.955 120.955 119.635 1.320 19604 564 1 1 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.683 -0.227 19604 565 1 1 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.544 0.337 19604 566 1 1 . 1 1 121 121 VAL CB C 121 31.330 31.330 30.934 0.396 19604 567 1 1 . 1 1 121 121 VAL H H 121 8.050 8.050 7.953 0.097 19604 568 1 1 . 1 1 122 122 ASP N N 122 120.016 120.016 120.004 0.012 19604 569 1 1 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.266 0.097 19604 570 1 1 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.774 -0.060 19604 571 1 1 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.709 -0.256 19604 572 1 1 . 1 1 122 122 ASP H H 122 7.980 7.980 7.875 0.105 19604 573 1 1 . 1 1 123 123 GLU N N 123 119.913 119.913 118.648 1.265 19604 574 1 1 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.095 -0.050 19604 575 1 1 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.949 0.356 19604 576 1 1 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.533 -0.254 19604 577 1 1 . 1 1 123 123 GLU H H 123 8.033 8.033 7.864 0.169 19604 578 1 1 . 1 1 124 124 MET N N 124 119.642 119.642 118.651 0.991 19604 579 1 1 . 1 1 124 124 MET HA H 124 4.175 4.175 4.039 0.136 19604 580 1 1 . 1 1 124 124 MET CA C 124 60.420 60.420 59.623 0.797 19604 581 1 1 . 1 1 124 124 MET CB C 124 33.408 33.408 32.861 0.547 19604 582 1 1 . 1 1 124 124 MET H H 124 7.930 7.930 7.677 0.253 19604 583 1 1 . 1 1 125 125 ILE N N 125 119.663 119.663 118.907 0.756 19604 584 1 1 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.719 -0.010 19604 585 1 1 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.138 0.201 19604 586 1 1 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.519 -0.184 19604 587 1 1 . 1 1 125 125 ILE H H 125 8.147 8.147 8.226 -0.079 19604 588 1 1 . 1 1 126 126 ARG N N 126 118.998 118.998 118.816 0.182 19604 589 1 1 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.951 0.121 19604 590 1 1 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.445 0.383 19604 591 1 1 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.215 0.116 19604 592 1 1 . 1 1 126 126 ARG H H 126 8.431 8.431 8.043 0.388 19604 593 1 1 . 1 1 127 127 GLU N N 127 116.058 116.058 118.404 -2.346 19604 594 1 1 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.160 -0.176 19604 595 1 1 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.623 0.182 19604 596 1 1 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.837 -0.031 19604 597 1 1 . 1 1 127 127 GLU H H 127 7.899 7.899 7.687 0.212 19604 598 1 1 . 1 1 128 128 ALA N N 128 117.702 117.702 119.586 -1.884 19604 599 1 1 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.113 0.340 19604 600 1 1 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.457 -1.737 19604 601 1 1 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.264 3.122 19604 602 1 1 . 1 1 128 128 ALA H H 128 7.222 7.222 7.506 -0.284 19604 603 1 1 . 1 1 129 129 ASP N N 129 117.996 117.996 119.429 -1.433 19604 604 1 1 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.788 -0.291 19604 605 1 1 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.033 0.302 19604 606 1 1 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.650 1.032 19604 607 1 1 . 1 1 129 129 ASP H H 129 7.947 7.947 8.044 -0.097 19604 608 1 1 . 1 1 130 130 ILE N N 130 128.199 128.199 124.161 4.038 19604 609 1 1 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.858 0.050 19604 610 1 1 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.502 -0.069 19604 611 1 1 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.545 0.193 19604 612 1 1 . 1 1 130 130 ILE H H 130 8.399 8.399 8.152 0.247 19604 613 1 1 . 1 1 131 131 ASP N N 131 116.628 116.628 117.556 -0.928 19604 614 1 1 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.501 0.012 19604 615 1 1 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.769 0.059 19604 616 1 1 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.398 -0.409 19604 617 1 1 . 1 1 131 131 ASP H H 131 8.258 8.258 7.927 0.331 19604 618 1 1 . 1 1 132 132 GLY N N 132 108.616 108.616 108.533 0.083 19604 619 1 1 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.054 1.473 19604 620 1 1 . 1 1 132 132 GLY H H 132 7.559 7.559 7.694 -0.135 19604 621 1 1 . 1 1 133 133 ASP N N 133 120.901 120.901 119.833 1.068 19604 622 1 1 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.564 -0.086 19604 623 1 1 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.623 0.030 19604 624 1 1 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.373 -1.102 19604 625 1 1 . 1 1 133 133 ASP H H 133 8.340 8.340 8.720 -0.380 19604 626 1 1 . 1 1 134 134 GLY N N 134 112.918 112.918 108.985 3.933 19604 627 1 1 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.937 0.931 19604 628 1 1 . 1 1 134 134 GLY H H 134 10.366 10.366 8.828 1.538 19604 629 1 1 . 1 1 135 135 GLN N N 135 115.297 115.297 117.647 -2.350 19604 630 1 1 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.682 0.235 19604 631 1 1 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.809 -1.582 19604 632 1 1 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.216 -0.874 19604 633 1 1 . 1 1 135 135 GLN H H 135 8.012 8.012 8.632 -0.620 19604 634 1 1 . 1 1 136 136 VAL N N 136 125.463 125.463 122.108 3.355 19604 635 1 1 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.938 0.280 19604 636 1 1 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.386 1.277 19604 637 1 1 . 1 1 136 136 VAL CB C 136 33.758 33.758 31.789 1.969 19604 638 1 1 . 1 1 136 136 VAL H H 136 9.133 9.133 8.647 0.486 19604 639 1 1 . 1 1 137 137 ASN N N 137 129.402 129.402 126.890 2.512 19604 640 1 1 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.515 0.784 19604 641 1 1 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.959 0.067 19604 642 1 1 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.740 -1.455 19604 643 1 1 . 1 1 137 137 ASN H H 137 9.634 9.634 8.253 1.381 19604 644 1 1 . 1 1 138 138 TYR N N 138 118.585 118.585 122.396 -3.811 19604 645 1 1 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.208 0.134 19604 646 1 1 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.971 -0.454 19604 647 1 1 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.232 -0.536 19604 648 1 1 . 1 1 138 138 TYR H H 138 8.400 8.400 8.534 -0.134 19604 649 1 1 . 1 1 139 139 GLU N N 139 118.692 118.692 118.521 0.171 19604 650 1 1 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.675 -0.057 19604 651 1 1 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.683 0.631 19604 652 1 1 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.138 -0.138 19604 653 1 1 . 1 1 139 139 GLU H H 139 8.095 8.095 8.648 -0.553 19604 654 1 1 . 1 1 140 140 GLU N N 140 119.980 119.980 118.885 1.095 19604 655 1 1 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.067 -0.162 19604 656 1 1 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.764 -0.232 19604 657 1 1 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.767 -0.060 19604 658 1 1 . 1 1 140 140 GLU H H 140 8.759 8.759 8.249 0.510 19604 659 1 1 . 1 1 141 141 PHE N N 141 123.408 123.408 121.733 1.675 19604 660 1 1 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.167 -0.436 19604 661 1 1 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.414 0.569 19604 662 1 1 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.385 0.788 19604 663 1 1 . 1 1 141 141 PHE H H 141 8.639 8.639 8.442 0.197 19604 664 1 1 . 1 1 142 142 VAL N N 142 119.839 119.839 118.458 1.381 19604 665 1 1 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.391 -0.347 19604 666 1 1 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.231 0.887 19604 667 1 1 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.510 1.005 19604 668 1 1 . 1 1 142 142 VAL H H 142 8.781 8.781 8.474 0.307 19604 669 1 1 . 1 1 143 143 GLN N N 143 118.240 118.240 119.649 -1.409 19604 670 1 1 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.975 -0.173 19604 671 1 1 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.770 0.047 19604 672 1 1 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.584 -0.409 19604 673 1 1 . 1 1 143 143 GLN H H 143 7.491 7.491 7.268 0.223 19604 674 1 1 . 1 1 144 144 MET N N 144 116.028 116.028 118.781 -2.753 19604 675 1 1 . 1 1 144 144 MET HA H 144 4.145 4.145 4.119 0.026 19604 676 1 1 . 1 1 144 144 MET CA C 144 55.939 55.939 57.476 -1.537 19604 677 1 1 . 1 1 144 144 MET CB C 144 31.345 31.345 32.560 -1.215 19604 678 1 1 . 1 1 144 144 MET H H 144 7.176 7.176 7.885 -0.709 19604 679 1 1 . 1 1 145 145 MET N N 145 116.272 116.272 116.266 0.006 19604 680 1 1 . 1 1 145 145 MET HA H 145 4.301 4.301 4.238 0.063 19604 681 1 1 . 1 1 145 145 MET CA C 145 55.416 55.416 57.309 -1.893 19604 682 1 1 . 1 1 145 145 MET CB C 145 32.831 32.831 32.813 0.018 19604 683 1 1 . 1 1 145 145 MET H H 145 7.831 7.831 7.447 0.384 19604 684 1 1 . 1 1 146 146 THR N N 146 110.389 110.389 113.761 -3.372 19604 685 1 1 . 1 1 146 146 THR HA H 146 4.308 4.308 4.254 0.054 19604 686 1 1 . 1 1 146 146 THR CA C 146 61.942 61.942 63.136 -1.194 19604 687 1 1 . 1 1 146 146 THR CB C 146 70.244 70.244 69.177 1.067 19604 688 1 1 . 1 1 146 146 THR H H 146 7.474 7.474 7.558 -0.084 19604 689 1 1 . 1 1 147 147 ALA N N 147 126.864 126.864 123.632 3.232 19604 690 1 1 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.580 -0.372 19604 691 1 1 . 1 1 147 147 ALA CA C 147 52.998 52.998 51.145 1.853 19604 692 1 1 . 1 1 147 147 ALA CB C 147 19.116 19.116 20.937 -1.821 19604 693 1 1 . 1 1 147 147 ALA H H 147 7.622 7.622 7.569 0.053 19604 694 1 2 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.660 -0.020 19604 695 1 2 . 1 1 2 2 ASP CA C 2 54.613 54.613 53.874 0.739 19604 696 1 2 . 1 1 2 2 ASP CB C 2 41.351 41.351 40.981 0.370 19604 697 1 2 . 1 1 3 3 GLN N N 3 120.300 120.300 120.930 -0.630 19604 698 1 2 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.435 -0.062 19604 699 1 2 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.193 0.305 19604 700 1 2 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.602 0.176 19604 701 1 2 . 1 1 3 3 GLN H H 3 8.388 8.388 8.080 0.308 19604 702 1 2 . 1 1 4 4 LEU N N 4 123.525 123.525 121.584 1.941 19604 703 1 2 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.563 0.124 19604 704 1 2 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.643 -0.284 19604 705 1 2 . 1 1 4 4 LEU CB C 4 43.653 43.653 41.933 1.720 19604 706 1 2 . 1 1 4 4 LEU H H 4 8.299 8.299 8.460 -0.161 19604 707 1 2 . 1 1 5 5 THR N N 5 113.299 113.299 114.315 -1.016 19604 708 1 2 . 1 1 5 5 THR HA H 5 4.476 4.476 4.506 -0.030 19604 709 1 2 . 1 1 5 5 THR CA C 5 60.463 60.463 59.976 0.487 19604 710 1 2 . 1 1 5 5 THR CB C 5 71.250 71.250 71.082 0.168 19604 711 1 2 . 1 1 5 5 THR H H 5 8.651 8.651 8.000 0.651 19604 712 1 2 . 1 1 6 6 GLU N N 6 120.620 120.620 121.595 -0.975 19604 713 1 2 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.947 0.028 19604 714 1 2 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.372 -0.437 19604 715 1 2 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.625 -0.426 19604 716 1 2 . 1 1 6 6 GLU H H 6 9.014 9.014 8.847 0.167 19604 717 1 2 . 1 1 7 7 GLU N N 7 119.586 119.586 117.898 1.688 19604 718 1 2 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.037 0.031 19604 719 1 2 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.016 0.927 19604 720 1 2 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.246 -0.168 19604 721 1 2 . 1 1 7 7 GLU H H 7 8.713 8.713 8.627 0.086 19604 722 1 2 . 1 1 8 8 GLN N N 8 120.413 120.413 119.023 1.390 19604 723 1 2 . 1 1 8 8 GLN HA H 8 3.825 3.825 3.994 -0.169 19604 724 1 2 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.181 0.594 19604 725 1 2 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.677 0.783 19604 726 1 2 . 1 1 8 8 GLN H H 8 7.719 7.719 7.590 0.129 19604 727 1 2 . 1 1 9 9 ILE N N 9 119.362 119.362 120.726 -1.364 19604 728 1 2 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.806 -0.138 19604 729 1 2 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.205 1.030 19604 730 1 2 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.856 -0.035 19604 731 1 2 . 1 1 9 9 ILE H H 9 8.267 8.267 8.445 -0.178 19604 732 1 2 . 1 1 10 10 ALA N N 10 121.321 121.321 121.285 0.036 19604 733 1 2 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.001 0.117 19604 734 1 2 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.458 -0.061 19604 735 1 2 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.930 -0.134 19604 736 1 2 . 1 1 10 10 ALA H H 10 8.023 8.023 8.248 -0.225 19604 737 1 2 . 1 1 11 11 GLU N N 11 119.865 119.865 118.573 1.292 19604 738 1 2 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.073 0.068 19604 739 1 2 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.154 0.257 19604 740 1 2 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.270 -0.062 19604 741 1 2 . 1 1 11 11 GLU H H 11 7.761 7.761 7.639 0.122 19604 742 1 2 . 1 1 12 12 PHE N N 12 119.971 119.971 118.147 1.824 19604 743 1 2 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.552 0.471 19604 744 1 2 . 1 1 12 12 PHE CA C 12 58.712 58.712 59.491 -0.779 19604 745 1 2 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.846 -1.329 19604 746 1 2 . 1 1 12 12 PHE H H 12 8.479 8.479 7.184 1.295 19604 747 1 2 . 1 1 13 13 LYS N N 13 123.604 123.604 120.159 3.445 19604 748 1 2 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.179 -0.205 19604 749 1 2 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.053 -0.097 19604 750 1 2 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.323 -0.545 19604 751 1 2 . 1 1 13 13 LYS H H 13 9.222 9.222 8.834 0.388 19604 752 1 2 . 1 1 14 14 GLU N N 14 120.976 120.976 118.301 2.675 19604 753 1 2 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.230 -0.117 19604 754 1 2 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.077 0.485 19604 755 1 2 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.505 -0.090 19604 756 1 2 . 1 1 14 14 GLU H H 14 7.924 7.924 7.763 0.161 19604 757 1 2 . 1 1 15 15 ALA N N 15 122.303 122.303 122.743 -0.440 19604 758 1 2 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.226 0.098 19604 759 1 2 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.950 0.188 19604 760 1 2 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.366 -0.364 19604 761 1 2 . 1 1 15 15 ALA H H 15 7.990 7.990 7.806 0.184 19604 762 1 2 . 1 1 16 16 PHE N N 16 119.011 119.011 118.989 0.022 19604 763 1 2 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.539 -0.269 19604 764 1 2 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.239 0.749 19604 765 1 2 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.071 0.835 19604 766 1 2 . 1 1 16 16 PHE H H 16 8.666 8.666 7.821 0.845 19604 767 1 2 . 1 1 17 17 SER N N 17 113.988 113.988 114.320 -0.332 19604 768 1 2 . 1 1 17 17 SER HA H 17 4.086 4.086 4.155 -0.069 19604 769 1 2 . 1 1 17 17 SER CA C 17 61.532 61.532 61.402 0.130 19604 770 1 2 . 1 1 17 17 SER CB C 17 62.921 62.921 63.193 -0.272 19604 771 1 2 . 1 1 17 17 SER H H 17 8.202 8.202 7.985 0.217 19604 772 1 2 . 1 1 18 18 LEU N N 18 120.913 120.913 120.972 -0.059 19604 773 1 2 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.055 -0.105 19604 774 1 2 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.103 0.384 19604 775 1 2 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.011 -0.488 19604 776 1 2 . 1 1 18 18 LEU H H 18 7.280 7.280 7.417 -0.137 19604 777 1 2 . 1 1 19 19 PHE N N 19 113.613 113.613 114.186 -0.573 19604 778 1 2 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.192 -0.160 19604 779 1 2 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.901 -0.495 19604 780 1 2 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.180 2.377 19604 781 1 2 . 1 1 19 19 PHE H H 19 7.070 7.070 7.388 -0.318 19604 782 1 2 . 1 1 20 20 ASP N N 20 117.393 117.393 118.902 -1.509 19604 783 1 2 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.461 0.132 19604 784 1 2 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.821 -1.353 19604 785 1 2 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.495 -1.200 19604 786 1 2 . 1 1 20 20 ASP H H 20 7.790 7.790 7.665 0.125 19604 787 1 2 . 1 1 21 21 LYS N N 21 124.292 124.292 125.259 -0.967 19604 788 1 2 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.029 -0.051 19604 789 1 2 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.057 0.263 19604 790 1 2 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.799 -0.126 19604 791 1 2 . 1 1 21 21 LYS H H 21 7.707 7.707 8.127 -0.420 19604 792 1 2 . 1 1 22 22 ASP N N 22 114.139 114.139 115.291 -1.152 19604 793 1 2 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.536 0.044 19604 794 1 2 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.650 -0.859 19604 795 1 2 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.775 -1.210 19604 796 1 2 . 1 1 22 22 ASP H H 22 8.025 8.025 8.062 -0.037 19604 797 1 2 . 1 1 23 23 GLY N N 23 109.378 109.378 108.705 0.673 19604 798 1 2 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.315 0.901 19604 799 1 2 . 1 1 23 23 GLY H H 23 7.661 7.661 7.724 -0.063 19604 800 1 2 . 1 1 24 24 ASP N N 24 121.022 121.022 119.964 1.058 19604 801 1 2 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.527 -0.012 19604 802 1 2 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.688 -0.009 19604 803 1 2 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.653 -1.150 19604 804 1 2 . 1 1 24 24 ASP H H 24 8.466 8.466 8.389 0.077 19604 805 1 2 . 1 1 25 25 GLY N N 25 112.810 112.810 109.897 2.913 19604 806 1 2 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.170 0.176 19604 807 1 2 . 1 1 25 25 GLY H H 25 10.507 10.507 9.172 1.335 19604 808 1 2 . 1 1 26 26 THR N N 26 112.094 112.094 111.433 0.661 19604 809 1 2 . 1 1 26 26 THR HA H 26 5.431 5.431 5.452 -0.021 19604 810 1 2 . 1 1 26 26 THR CA C 26 59.576 59.576 60.282 -0.706 19604 811 1 2 . 1 1 26 26 THR CB C 26 72.730 72.730 72.070 0.660 19604 812 1 2 . 1 1 26 26 THR H H 26 8.191 8.191 8.237 -0.046 19604 813 1 2 . 1 1 27 27 ILE N N 27 126.447 126.447 126.062 0.385 19604 814 1 2 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.258 0.509 19604 815 1 2 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.980 0.150 19604 816 1 2 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.421 1.567 19604 817 1 2 . 1 1 27 27 ILE H H 27 9.845 9.845 8.886 0.959 19604 818 1 2 . 1 1 28 28 THR N N 28 116.315 116.315 117.816 -1.501 19604 819 1 2 . 1 1 28 28 THR HA H 28 4.894 4.894 4.934 -0.040 19604 820 1 2 . 1 1 28 28 THR CA C 28 59.217 59.217 59.892 -0.675 19604 821 1 2 . 1 1 28 28 THR CB C 28 72.480 72.480 71.448 1.032 19604 822 1 2 . 1 1 28 28 THR H H 28 8.322 8.322 8.631 -0.309 19604 823 1 2 . 1 1 29 29 THR N N 29 112.270 112.270 111.946 0.324 19604 824 1 2 . 1 1 29 29 THR HA H 29 3.790 3.790 4.103 -0.313 19604 825 1 2 . 1 1 29 29 THR CA C 29 66.207 66.207 65.930 0.278 19604 826 1 2 . 1 1 29 29 THR CB C 29 67.737 67.737 68.476 -0.739 19604 827 1 2 . 1 1 29 29 THR H H 29 9.251 9.251 8.760 0.491 19604 828 1 2 . 1 1 30 30 LYS N N 30 121.127 121.127 121.670 -0.543 19604 829 1 2 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.101 0.017 19604 830 1 2 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.041 0.216 19604 831 1 2 . 1 1 30 30 LYS CB C 30 32.533 32.533 31.869 0.664 19604 832 1 2 . 1 1 30 30 LYS H H 30 7.569 7.569 8.046 -0.477 19604 833 1 2 . 1 1 31 31 GLU N N 31 121.876 121.876 120.082 1.794 19604 834 1 2 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.039 -0.023 19604 835 1 2 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.319 0.138 19604 836 1 2 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.557 -0.006 19604 837 1 2 . 1 1 31 31 GLU H H 31 7.715 7.715 7.760 -0.045 19604 838 1 2 . 1 1 32 32 LEU N N 32 120.674 120.674 120.683 -0.009 19604 839 1 2 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.238 -0.044 19604 840 1 2 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.395 0.792 19604 841 1 2 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.068 0.088 19604 842 1 2 . 1 1 32 32 LEU H H 32 8.592 8.592 7.811 0.781 19604 843 1 2 . 1 1 33 33 GLY N N 33 106.859 106.859 106.351 0.508 19604 844 1 2 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.813 0.414 19604 845 1 2 . 1 1 33 33 GLY H H 33 8.861 8.861 8.662 0.199 19604 846 1 2 . 1 1 34 34 THR N N 34 118.512 118.512 118.104 0.408 19604 847 1 2 . 1 1 34 34 THR HA H 34 3.935 3.935 3.941 -0.006 19604 848 1 2 . 1 1 34 34 THR CA C 34 66.964 66.964 67.078 -0.114 19604 849 1 2 . 1 1 34 34 THR CB C 34 68.610 68.610 68.434 0.176 19604 850 1 2 . 1 1 34 34 THR H H 34 7.965 7.965 8.241 -0.276 19604 851 1 2 . 1 1 35 35 VAL N N 35 122.456 122.456 121.503 0.953 19604 852 1 2 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.579 -0.008 19604 853 1 2 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.494 0.065 19604 854 1 2 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.611 -0.080 19604 855 1 2 . 1 1 35 35 VAL H H 35 7.532 7.532 7.331 0.201 19604 856 1 2 . 1 1 36 36 MET N N 36 118.015 118.015 117.893 0.122 19604 857 1 2 . 1 1 36 36 MET HA H 36 3.899 3.899 4.016 -0.117 19604 858 1 2 . 1 1 36 36 MET CA C 36 60.156 60.156 59.450 0.706 19604 859 1 2 . 1 1 36 36 MET CB C 36 31.731 31.731 32.203 -0.472 19604 860 1 2 . 1 1 36 36 MET H H 36 8.525 8.525 8.294 0.231 19604 861 1 2 . 1 1 37 37 ARG N N 37 119.604 119.604 119.624 -0.020 19604 862 1 2 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.979 0.802 19604 863 1 2 . 1 1 37 37 ARG CA C 37 59.256 59.256 60.168 -0.912 19604 864 1 2 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.974 -0.361 19604 865 1 2 . 1 1 37 37 ARG H H 37 8.579 8.579 7.994 0.585 19604 866 1 2 . 1 1 38 38 SER N N 38 119.543 119.543 114.980 4.563 19604 867 1 2 . 1 1 38 38 SER HA H 38 4.396 4.396 4.275 0.121 19604 868 1 2 . 1 1 38 38 SER CA C 38 61.758 61.758 60.927 0.831 19604 869 1 2 . 1 1 38 38 SER CB C 38 62.691 62.691 62.769 -0.078 19604 870 1 2 . 1 1 38 38 SER H H 38 7.939 7.939 7.840 0.099 19604 871 1 2 . 1 1 39 39 LEU N N 39 120.454 120.454 119.523 0.931 19604 872 1 2 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.401 0.040 19604 873 1 2 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.325 -0.709 19604 874 1 2 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.507 -0.377 19604 875 1 2 . 1 1 39 39 LEU H H 39 7.394 7.394 7.481 -0.087 19604 876 1 2 . 1 1 40 40 GLY N N 40 107.378 107.378 106.677 0.701 19604 877 1 2 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.523 1.092 19604 878 1 2 . 1 1 40 40 GLY H H 40 7.897 7.897 7.669 0.228 19604 879 1 2 . 1 1 41 41 GLN N N 41 118.330 118.330 120.418 -2.088 19604 880 1 2 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.478 0.023 19604 881 1 2 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.534 -0.216 19604 882 1 2 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.000 -0.506 19604 883 1 2 . 1 1 41 41 GLN H H 41 7.883 7.883 8.236 -0.353 19604 884 1 2 . 1 1 42 42 ASN N N 42 116.488 116.488 124.606 -8.118 19604 885 1 2 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.056 0.156 19604 886 1 2 . 1 1 42 42 ASN CA C 42 51.128 51.128 50.258 0.870 19604 887 1 2 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.099 0.072 19604 888 1 2 . 1 1 42 42 ASN H H 42 8.697 8.697 8.625 0.072 19604 889 1 2 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.687 0.097 19604 890 1 2 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.737 -0.415 19604 891 1 2 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.458 -0.180 19604 892 1 2 . 1 1 44 44 THR N N 44 112.452 112.452 112.814 -0.362 19604 893 1 2 . 1 1 44 44 THR HA H 44 4.461 4.461 4.351 0.110 19604 894 1 2 . 1 1 44 44 THR CA C 44 60.411 60.411 60.895 -0.484 19604 895 1 2 . 1 1 44 44 THR CB C 44 71.068 71.068 70.323 0.745 19604 896 1 2 . 1 1 44 44 THR H H 44 8.678 8.678 8.184 0.494 19604 897 1 2 . 1 1 45 45 GLU N N 45 120.954 120.954 122.386 -1.432 19604 898 1 2 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.895 0.115 19604 899 1 2 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.512 -0.629 19604 900 1 2 . 1 1 45 45 GLU H H 45 8.803 8.803 8.955 -0.152 19604 901 1 2 . 1 1 46 46 ALA N N 46 120.643 120.643 120.758 -0.115 19604 902 1 2 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.231 -0.114 19604 903 1 2 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.531 0.482 19604 904 1 2 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.220 -0.047 19604 905 1 2 . 1 1 46 46 ALA H H 46 8.272 8.272 8.272 0.000 19604 906 1 2 . 1 1 47 47 GLU N N 47 119.059 119.059 120.180 -1.121 19604 907 1 2 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.014 0.020 19604 908 1 2 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.086 0.077 19604 909 1 2 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.737 0.189 19604 910 1 2 . 1 1 47 47 GLU H H 47 7.686 7.686 7.515 0.171 19604 911 1 2 . 1 1 48 48 LEU N N 48 119.848 119.848 119.922 -0.074 19604 912 1 2 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.916 0.109 19604 913 1 2 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.199 -0.358 19604 914 1 2 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.917 0.513 19604 915 1 2 . 1 1 48 48 LEU H H 48 8.036 8.036 8.524 -0.488 19604 916 1 2 . 1 1 49 49 GLN N N 49 118.226 118.226 117.419 0.807 19604 917 1 2 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.967 -0.164 19604 918 1 2 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.346 0.215 19604 919 1 2 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.836 0.406 19604 920 1 2 . 1 1 49 49 GLN H H 49 8.323 8.323 7.675 0.648 19604 921 1 2 . 1 1 50 50 ASP N N 50 119.928 119.928 120.922 -0.994 19604 922 1 2 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.425 -0.027 19604 923 1 2 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.838 0.771 19604 924 1 2 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.682 -0.049 19604 925 1 2 . 1 1 50 50 ASP H H 50 8.147 8.147 7.597 0.550 19604 926 1 2 . 1 1 51 51 MET N N 51 117.796 117.796 118.773 -0.977 19604 927 1 2 . 1 1 51 51 MET HA H 51 4.050 4.050 4.323 -0.273 19604 928 1 2 . 1 1 51 51 MET CA C 51 59.555 59.555 59.574 -0.019 19604 929 1 2 . 1 1 51 51 MET CB C 51 32.846 32.846 32.743 0.103 19604 930 1 2 . 1 1 51 51 MET H H 51 7.814 7.814 7.803 0.011 19604 931 1 2 . 1 1 52 52 ILE N N 52 118.474 118.474 117.349 1.125 19604 932 1 2 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.658 -0.059 19604 933 1 2 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.522 -0.416 19604 934 1 2 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.609 -0.550 19604 935 1 2 . 1 1 52 52 ILE H H 52 7.685 7.685 7.649 0.036 19604 936 1 2 . 1 1 53 53 ASN N N 53 118.591 118.591 116.553 2.038 19604 937 1 2 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.545 -0.128 19604 938 1 2 . 1 1 53 53 ASN CA C 53 55.905 55.905 54.979 0.926 19604 939 1 2 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.575 -0.584 19604 940 1 2 . 1 1 53 53 ASN H H 53 8.786 8.786 7.951 0.835 19604 941 1 2 . 1 1 54 54 GLU N N 54 115.327 115.327 118.983 -3.656 19604 942 1 2 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.111 -0.063 19604 943 1 2 . 1 1 54 54 GLU CA C 54 59.077 59.077 59.034 0.043 19604 944 1 2 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.934 0.990 19604 945 1 2 . 1 1 54 54 GLU H H 54 7.368 7.368 8.114 -0.746 19604 946 1 2 . 1 1 55 55 VAL N N 55 111.285 111.285 110.586 0.699 19604 947 1 2 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.258 -0.031 19604 948 1 2 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.899 -0.067 19604 949 1 2 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.505 1.811 19604 950 1 2 . 1 1 55 55 VAL H H 55 7.133 7.133 7.236 -0.103 19604 951 1 2 . 1 1 56 56 ASP N N 56 121.291 121.291 121.418 -0.127 19604 952 1 2 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.936 -0.468 19604 953 1 2 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.095 0.605 19604 954 1 2 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.443 0.140 19604 955 1 2 . 1 1 56 56 ASP H H 56 7.567 7.567 7.586 -0.019 19604 956 1 2 . 1 1 57 57 ALA N N 57 131.432 131.432 130.529 0.903 19604 957 1 2 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.173 0.056 19604 958 1 2 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.906 0.449 19604 959 1 2 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.974 -0.280 19604 960 1 2 . 1 1 57 57 ALA H H 57 8.064 8.064 8.937 -0.873 19604 961 1 2 . 1 1 58 58 ASP N N 58 114.063 114.063 116.454 -2.391 19604 962 1 2 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.578 0.059 19604 963 1 2 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.545 -0.777 19604 964 1 2 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.577 -0.729 19604 965 1 2 . 1 1 58 58 ASP H H 58 8.211 8.211 8.020 0.191 19604 966 1 2 . 1 1 59 59 GLY N N 59 108.646 108.646 109.143 -0.497 19604 967 1 2 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.906 1.294 19604 968 1 2 . 1 1 59 59 GLY H H 59 7.584 7.584 7.908 -0.324 19604 969 1 2 . 1 1 60 60 ASN N N 60 118.886 118.886 118.562 0.324 19604 970 1 2 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.772 -0.152 19604 971 1 2 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.292 0.385 19604 972 1 2 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.606 -2.027 19604 973 1 2 . 1 1 60 60 ASN H H 60 8.162 8.162 8.710 -0.548 19604 974 1 2 . 1 1 61 61 GLY N N 61 113.458 113.458 109.858 3.600 19604 975 1 2 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.424 0.215 19604 976 1 2 . 1 1 61 61 GLY H H 61 10.568 10.568 8.934 1.634 19604 977 1 2 . 1 1 62 62 THR N N 62 108.490 108.490 110.274 -1.784 19604 978 1 2 . 1 1 62 62 THR HA H 62 4.800 4.800 5.137 -0.337 19604 979 1 2 . 1 1 62 62 THR CA C 62 59.327 59.327 59.965 -0.638 19604 980 1 2 . 1 1 62 62 THR CB C 62 72.409 72.409 72.304 0.105 19604 981 1 2 . 1 1 62 62 THR H H 62 7.643 7.643 8.282 -0.639 19604 982 1 2 . 1 1 63 63 ILE N N 63 123.350 123.350 123.289 0.061 19604 983 1 2 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.701 0.513 19604 984 1 2 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.764 -1.712 19604 985 1 2 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.353 1.252 19604 986 1 2 . 1 1 63 63 ILE H H 63 8.544 8.544 8.440 0.104 19604 987 1 2 . 1 1 64 64 ASP N N 64 128.480 128.480 128.768 -0.288 19604 988 1 2 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.132 0.375 19604 989 1 2 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.302 -1.317 19604 990 1 2 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.512 0.691 19604 991 1 2 . 1 1 64 64 ASP H H 64 8.902 8.902 8.508 0.394 19604 992 1 2 . 1 1 65 65 PHE N N 65 118.622 118.622 120.557 -1.935 19604 993 1 2 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.766 0.213 19604 994 1 2 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.700 1.385 19604 995 1 2 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.627 -0.725 19604 996 1 2 . 1 1 65 65 PHE H H 65 8.967 8.967 8.887 0.080 19604 997 1 2 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.686 0.202 19604 998 1 2 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.919 1.931 19604 999 1 2 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.783 0.017 19604 1000 1 2 . 1 1 67 67 GLU N N 67 118.243 118.243 119.263 -1.020 19604 1001 1 2 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.943 0.022 19604 1002 1 2 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.500 -0.455 19604 1003 1 2 . 1 1 67 67 GLU CB C 67 29.874 29.874 29.002 0.872 19604 1004 1 2 . 1 1 67 67 GLU H H 67 8.420 8.420 8.133 0.287 19604 1005 1 2 . 1 1 68 68 PHE N N 68 124.020 124.020 119.968 4.052 19604 1006 1 2 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.283 -0.498 19604 1007 1 2 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.702 0.785 19604 1008 1 2 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.469 1.313 19604 1009 1 2 . 1 1 68 68 PHE H H 68 8.638 8.638 7.655 0.983 19604 1010 1 2 . 1 1 69 69 LEU N N 69 120.062 120.062 120.401 -0.339 19604 1011 1 2 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.769 -0.401 19604 1012 1 2 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.693 0.161 19604 1013 1 2 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.510 -0.125 19604 1014 1 2 . 1 1 69 69 LEU H H 69 8.972 8.972 7.386 1.586 19604 1015 1 2 . 1 1 70 70 THR N N 70 115.488 115.488 114.433 1.055 19604 1016 1 2 . 1 1 70 70 THR HA H 70 3.697 3.697 3.799 -0.102 19604 1017 1 2 . 1 1 70 70 THR CA C 70 66.558 66.558 66.191 0.367 19604 1018 1 2 . 1 1 70 70 THR CB C 70 68.396 68.396 68.625 -0.229 19604 1019 1 2 . 1 1 70 70 THR H H 70 7.855 7.855 8.403 -0.548 19604 1020 1 2 . 1 1 71 71 MET N N 71 119.627 119.627 119.849 -0.222 19604 1021 1 2 . 1 1 71 71 MET HA H 71 3.757 3.757 4.001 -0.244 19604 1022 1 2 . 1 1 71 71 MET CA C 71 58.334 58.334 58.711 -0.377 19604 1023 1 2 . 1 1 71 71 MET CB C 71 30.736 30.736 32.224 -1.488 19604 1024 1 2 . 1 1 71 71 MET H H 71 7.155 7.155 7.317 -0.162 19604 1025 1 2 . 1 1 72 72 MET N N 72 116.046 116.046 116.421 -0.375 19604 1026 1 2 . 1 1 72 72 MET HA H 72 3.977 3.977 4.061 -0.084 19604 1027 1 2 . 1 1 72 72 MET CA C 72 55.138 55.138 57.725 -2.587 19604 1028 1 2 . 1 1 72 72 MET CB C 72 29.103 29.103 32.684 -3.581 19604 1029 1 2 . 1 1 72 72 MET H H 72 7.646 7.646 7.116 0.530 19604 1030 1 2 . 1 1 73 73 ALA N N 73 120.685 120.685 122.004 -1.319 19604 1031 1 2 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.870 0.312 19604 1032 1 2 . 1 1 73 73 ALA CA C 73 53.100 53.100 55.033 -1.933 19604 1033 1 2 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.824 1.468 19604 1034 1 2 . 1 1 73 73 ALA H H 73 8.080 8.080 8.185 -0.105 19604 1035 1 2 . 1 1 74 74 ARG N N 74 118.501 118.501 118.037 0.464 19604 1036 1 2 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.983 0.205 19604 1037 1 2 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.276 -1.299 19604 1038 1 2 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.620 0.897 19604 1039 1 2 . 1 1 74 74 ARG H H 74 7.367 7.367 7.625 -0.258 19604 1040 1 2 . 1 1 76 76 MET HA H 76 4.413 4.413 4.128 0.285 19604 1041 1 2 . 1 1 76 76 MET CA C 76 55.804 55.804 58.224 -2.420 19604 1042 1 2 . 1 1 76 76 MET CB C 76 33.291 33.291 33.130 0.161 19604 1043 1 2 . 1 1 77 77 LYS N N 77 121.563 121.563 118.024 3.539 19604 1044 1 2 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.463 -0.142 19604 1045 1 2 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.651 0.766 19604 1046 1 2 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.288 -1.037 19604 1047 1 2 . 1 1 77 77 LYS H H 77 8.253 8.253 7.665 0.588 19604 1048 1 2 . 1 1 78 78 ASP N N 78 121.953 121.953 122.048 -0.095 19604 1049 1 2 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.709 -0.091 19604 1050 1 2 . 1 1 78 78 ASP CA C 78 54.855 54.855 52.457 2.398 19604 1051 1 2 . 1 1 78 78 ASP CB C 78 41.116 41.116 42.326 -1.210 19604 1052 1 2 . 1 1 78 78 ASP H H 78 8.362 8.362 8.270 0.092 19604 1053 1 2 . 1 1 79 79 THR N N 79 113.276 113.276 113.316 -0.040 19604 1054 1 2 . 1 1 79 79 THR HA H 79 4.305 4.305 4.124 0.181 19604 1055 1 2 . 1 1 79 79 THR CA C 79 62.124 62.124 65.494 -3.370 19604 1056 1 2 . 1 1 79 79 THR CB C 79 69.634 69.634 68.237 1.397 19604 1057 1 2 . 1 1 79 79 THR H H 79 8.014 8.014 8.492 -0.478 19604 1058 1 2 . 1 1 80 80 ASP N N 80 122.850 122.850 121.946 0.904 19604 1059 1 2 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.403 0.272 19604 1060 1 2 . 1 1 80 80 ASP CA C 80 54.655 54.655 56.943 -2.288 19604 1061 1 2 . 1 1 80 80 ASP CB C 80 41.424 41.424 39.970 1.454 19604 1062 1 2 . 1 1 80 80 ASP H H 80 8.316 8.316 8.258 0.058 19604 1063 1 2 . 1 1 81 81 SER N N 81 116.864 116.864 115.291 1.573 19604 1064 1 2 . 1 1 81 81 SER HA H 81 4.429 4.429 4.095 0.334 19604 1065 1 2 . 1 1 81 81 SER CA C 81 59.337 59.337 61.511 -2.174 19604 1066 1 2 . 1 1 81 81 SER CB C 81 63.672 63.672 63.165 0.507 19604 1067 1 2 . 1 1 81 81 SER H H 81 8.391 8.391 7.621 0.770 19604 1068 1 2 . 1 1 82 82 GLU N N 82 122.561 122.561 121.162 1.399 19604 1069 1 2 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.000 0.073 19604 1070 1 2 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.146 0.033 19604 1071 1 2 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.577 -0.065 19604 1072 1 2 . 1 1 82 82 GLU H H 82 8.479 8.479 7.914 0.565 19604 1073 1 2 . 1 1 83 83 GLU N N 83 119.348 119.348 120.070 -0.722 19604 1074 1 2 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.024 0.020 19604 1075 1 2 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.456 0.191 19604 1076 1 2 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.650 -0.119 19604 1077 1 2 . 1 1 83 83 GLU H H 83 8.279 8.279 7.867 0.412 19604 1078 1 2 . 1 1 84 84 GLU N N 84 118.810 118.810 118.997 -0.187 19604 1079 1 2 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.128 -0.015 19604 1080 1 2 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.461 0.016 19604 1081 1 2 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.460 0.209 19604 1082 1 2 . 1 1 84 84 GLU H H 84 8.062 8.062 7.784 0.278 19604 1083 1 2 . 1 1 85 85 ILE N N 85 122.019 122.019 118.726 3.293 19604 1084 1 2 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.088 -0.170 19604 1085 1 2 . 1 1 85 85 ILE CA C 85 65.327 65.327 64.530 0.797 19604 1086 1 2 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.034 -0.606 19604 1087 1 2 . 1 1 85 85 ILE H H 85 8.008 8.008 7.184 0.824 19604 1088 1 2 . 1 1 86 86 ARG N N 86 121.851 121.851 120.042 1.809 19604 1089 1 2 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.227 -0.061 19604 1090 1 2 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.645 0.382 19604 1091 1 2 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.306 -0.339 19604 1092 1 2 . 1 1 86 86 ARG H H 86 8.446 8.446 7.767 0.679 19604 1093 1 2 . 1 1 87 87 GLU N N 87 118.621 118.621 119.184 -0.563 19604 1094 1 2 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.120 -0.010 19604 1095 1 2 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.041 0.066 19604 1096 1 2 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.465 -0.039 19604 1097 1 2 . 1 1 87 87 GLU H H 87 8.149 8.149 8.576 -0.427 19604 1098 1 2 . 1 1 88 88 ALA N N 88 121.741 121.741 121.999 -0.258 19604 1099 1 2 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.857 0.168 19604 1100 1 2 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.442 0.544 19604 1101 1 2 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.239 -0.515 19604 1102 1 2 . 1 1 88 88 ALA H H 88 7.880 7.880 7.447 0.433 19604 1103 1 2 . 1 1 89 89 PHE N N 89 118.057 118.057 119.557 -1.500 19604 1104 1 2 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.815 -0.666 19604 1105 1 2 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.243 1.123 19604 1106 1 2 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.050 0.287 19604 1107 1 2 . 1 1 89 89 PHE H H 89 8.463 8.463 7.710 0.753 19604 1108 1 2 . 1 1 90 90 ARG N N 90 115.723 115.723 118.006 -2.283 19604 1109 1 2 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.906 -0.014 19604 1110 1 2 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.895 -0.007 19604 1111 1 2 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.615 0.791 19604 1112 1 2 . 1 1 90 90 ARG H H 90 7.775 7.775 7.506 0.269 19604 1113 1 2 . 1 1 91 91 VAL N N 91 118.161 118.161 117.661 0.500 19604 1114 1 2 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.768 -0.244 19604 1115 1 2 . 1 1 91 91 VAL CA C 91 65.596 65.596 63.704 1.892 19604 1116 1 2 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.285 0.259 19604 1117 1 2 . 1 1 91 91 VAL H H 91 7.484 7.484 6.880 0.604 19604 1118 1 2 . 1 1 92 92 PHE N N 92 117.398 117.398 115.703 1.695 19604 1119 1 2 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.300 -0.022 19604 1120 1 2 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.873 0.808 19604 1121 1 2 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.617 1.237 19604 1122 1 2 . 1 1 92 92 PHE H H 92 7.544 7.544 7.204 0.340 19604 1123 1 2 . 1 1 93 93 ASP N N 93 117.503 117.503 120.022 -2.519 19604 1124 1 2 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.534 0.007 19604 1125 1 2 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.280 -2.098 19604 1126 1 2 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.942 -1.515 19604 1127 1 2 . 1 1 93 93 ASP H H 93 7.963 7.963 7.886 0.077 19604 1128 1 2 . 1 1 94 94 LYS N N 94 125.976 125.976 124.197 1.779 19604 1129 1 2 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.037 -0.131 19604 1130 1 2 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.364 0.698 19604 1131 1 2 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.876 0.157 19604 1132 1 2 . 1 1 94 94 LYS H H 94 7.585 7.585 8.130 -0.545 19604 1133 1 2 . 1 1 95 95 ASP N N 95 114.100 114.100 114.670 -0.570 19604 1134 1 2 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.469 0.085 19604 1135 1 2 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.826 -0.760 19604 1136 1 2 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.049 -0.300 19604 1137 1 2 . 1 1 95 95 ASP H H 95 8.186 8.186 8.192 -0.006 19604 1138 1 2 . 1 1 96 96 GLY N N 96 109.383 109.383 108.526 0.857 19604 1139 1 2 . 1 1 96 96 GLY CA C 96 47.148 47.148 45.986 1.162 19604 1140 1 2 . 1 1 96 96 GLY H H 96 7.809 7.809 7.723 0.086 19604 1141 1 2 . 1 1 97 97 ASN N N 97 119.744 119.744 119.227 0.517 19604 1142 1 2 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.664 -0.018 19604 1143 1 2 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.721 -0.066 19604 1144 1 2 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.994 -0.805 19604 1145 1 2 . 1 1 97 97 ASN H H 97 8.336 8.336 8.503 -0.167 19604 1146 1 2 . 1 1 98 98 GLY N N 98 112.937 112.937 107.729 5.208 19604 1147 1 2 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.596 -0.564 19604 1148 1 2 . 1 1 98 98 GLY H H 98 10.653 10.653 8.675 1.978 19604 1149 1 2 . 1 1 99 99 TYR N N 99 115.956 115.956 117.919 -1.963 19604 1150 1 2 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.970 0.091 19604 1151 1 2 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.815 -1.626 19604 1152 1 2 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.573 0.471 19604 1153 1 2 . 1 1 99 99 TYR H H 99 7.630 7.630 8.462 -0.832 19604 1154 1 2 . 1 1 100 100 ILE N N 100 127.360 127.360 122.565 4.795 19604 1155 1 2 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.470 0.314 19604 1156 1 2 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.369 0.650 19604 1157 1 2 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.617 -1.632 19604 1158 1 2 . 1 1 100 100 ILE H H 100 10.174 10.174 9.009 1.165 19604 1159 1 2 . 1 1 101 101 SER N N 101 124.117 124.117 122.200 1.917 19604 1160 1 2 . 1 1 101 101 SER HA H 101 4.885 4.885 4.930 -0.045 19604 1161 1 2 . 1 1 101 101 SER CA C 101 55.722 55.722 56.115 -0.393 19604 1162 1 2 . 1 1 101 101 SER CB C 101 66.631 66.631 66.025 0.605 19604 1163 1 2 . 1 1 101 101 SER H H 101 8.977 8.977 8.444 0.532 19604 1164 1 2 . 1 1 102 102 ALA N N 102 123.057 123.057 123.621 -0.564 19604 1165 1 2 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.124 -0.200 19604 1166 1 2 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.543 0.411 19604 1167 1 2 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.322 -0.431 19604 1168 1 2 . 1 1 102 102 ALA H H 102 9.261 9.261 8.925 0.336 19604 1169 1 2 . 1 1 103 103 ALA N N 103 118.685 118.685 120.624 -1.939 19604 1170 1 2 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.984 0.040 19604 1171 1 2 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.829 0.390 19604 1172 1 2 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.306 0.009 19604 1173 1 2 . 1 1 103 103 ALA H H 103 8.271 8.271 8.414 -0.143 19604 1174 1 2 . 1 1 104 104 GLU N N 104 119.737 119.737 118.686 1.051 19604 1175 1 2 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.061 -0.024 19604 1176 1 2 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.813 0.437 19604 1177 1 2 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.841 -0.625 19604 1178 1 2 . 1 1 104 104 GLU H H 104 7.857 7.857 7.509 0.348 19604 1179 1 2 . 1 1 105 105 LEU N N 105 122.037 122.037 121.819 0.218 19604 1180 1 2 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.886 0.150 19604 1181 1 2 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.139 -0.087 19604 1182 1 2 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.841 0.273 19604 1183 1 2 . 1 1 105 105 LEU H H 105 8.685 8.685 8.367 0.318 19604 1184 1 2 . 1 1 106 106 ARG N N 106 118.484 118.484 117.968 0.516 19604 1185 1 2 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.810 -0.102 19604 1186 1 2 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.790 0.240 19604 1187 1 2 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.963 0.354 19604 1188 1 2 . 1 1 106 106 ARG H H 106 8.682 8.682 8.112 0.570 19604 1189 1 2 . 1 1 107 107 HIS N N 107 118.917 118.917 117.379 1.538 19604 1190 1 2 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.305 -0.009 19604 1191 1 2 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.565 0.278 19604 1192 1 2 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.430 1.145 19604 1193 1 2 . 1 1 107 107 HIS H H 107 7.803 7.803 7.738 0.065 19604 1194 1 2 . 1 1 108 108 VAL N N 108 119.662 119.662 119.103 0.559 19604 1195 1 2 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.686 -0.228 19604 1196 1 2 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.994 0.458 19604 1197 1 2 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.541 0.052 19604 1198 1 2 . 1 1 108 108 VAL H H 108 7.887 7.887 7.726 0.161 19604 1199 1 2 . 1 1 109 109 MET N N 109 115.981 115.981 119.647 -3.666 19604 1200 1 2 . 1 1 109 109 MET HA H 109 4.296 4.296 4.168 0.128 19604 1201 1 2 . 1 1 109 109 MET CA C 109 57.062 57.062 57.748 -0.686 19604 1202 1 2 . 1 1 109 109 MET H H 109 8.128 8.128 7.809 0.319 19604 1203 1 2 . 1 1 110 110 THR N N 110 116.866 116.866 114.851 2.015 19604 1204 1 2 . 1 1 110 110 THR HA H 110 4.080 4.080 3.974 0.106 19604 1205 1 2 . 1 1 110 110 THR CA C 110 66.402 66.402 66.021 0.381 19604 1206 1 2 . 1 1 110 110 THR CB C 110 68.574 68.574 68.306 0.268 19604 1207 1 2 . 1 1 110 110 THR H H 110 8.302 8.302 8.085 0.217 19604 1208 1 2 . 1 1 111 111 ASN N N 111 122.811 122.811 118.164 4.647 19604 1209 1 2 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.558 -0.113 19604 1210 1 2 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.083 0.729 19604 1211 1 2 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.254 -0.279 19604 1212 1 2 . 1 1 111 111 ASN H H 111 7.849 7.849 7.449 0.400 19604 1213 1 2 . 1 1 112 112 LEU N N 112 118.869 118.869 119.095 -0.226 19604 1214 1 2 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.306 0.039 19604 1215 1 2 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.887 -0.796 19604 1216 1 2 . 1 1 112 112 LEU CB C 112 42.080 42.080 41.838 0.242 19604 1217 1 2 . 1 1 112 112 LEU H H 112 7.666 7.666 7.469 0.197 19604 1218 1 2 . 1 1 113 113 GLY N N 113 107.124 107.124 106.268 0.856 19604 1219 1 2 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.551 0.865 19604 1220 1 2 . 1 1 113 113 GLY H H 113 7.818 7.818 7.440 0.378 19604 1221 1 2 . 1 1 114 114 GLU N N 114 120.113 120.113 121.349 -1.236 19604 1222 1 2 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.494 -0.067 19604 1223 1 2 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.511 0.084 19604 1224 1 2 . 1 1 114 114 GLU CB C 114 30.710 30.710 30.615 0.095 19604 1225 1 2 . 1 1 114 114 GLU H H 114 7.895 7.895 7.755 0.140 19604 1226 1 2 . 1 1 115 115 LYS N N 115 124.920 124.920 125.033 -0.113 19604 1227 1 2 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.204 0.176 19604 1228 1 2 . 1 1 115 115 LYS CA C 115 55.393 55.393 57.007 -1.614 19604 1229 1 2 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.754 -0.709 19604 1230 1 2 . 1 1 115 115 LYS H H 115 8.583 8.583 8.546 0.037 19604 1231 1 2 . 1 1 116 116 LEU N N 116 124.979 124.979 123.104 1.875 19604 1232 1 2 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.684 0.083 19604 1233 1 2 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.548 0.533 19604 1234 1 2 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.987 -1.455 19604 1235 1 2 . 1 1 116 116 LEU H H 116 8.082 8.082 8.090 -0.008 19604 1236 1 2 . 1 1 117 117 THR N N 117 114.448 114.448 110.354 4.094 19604 1237 1 2 . 1 1 117 117 THR HA H 117 4.452 4.452 4.637 -0.185 19604 1238 1 2 . 1 1 117 117 THR CA C 117 60.690 60.690 59.095 1.595 19604 1239 1 2 . 1 1 117 117 THR CB C 117 71.051 71.051 71.407 -0.356 19604 1240 1 2 . 1 1 117 117 THR H H 117 9.172 9.172 8.129 1.043 19604 1241 1 2 . 1 1 118 118 ASP N N 118 121.175 121.175 121.522 -0.347 19604 1242 1 2 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.286 -0.073 19604 1243 1 2 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.017 -0.025 19604 1244 1 2 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.592 -0.922 19604 1245 1 2 . 1 1 118 118 ASP H H 118 8.889 8.889 8.869 0.020 19604 1246 1 2 . 1 1 119 119 GLU N N 119 119.386 119.386 119.546 -0.160 19604 1247 1 2 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.099 -0.011 19604 1248 1 2 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.806 1.207 19604 1249 1 2 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.674 -0.502 19604 1250 1 2 . 1 1 119 119 GLU H H 119 8.665 8.665 7.982 0.683 19604 1251 1 2 . 1 1 120 120 GLU N N 120 120.564 120.564 120.104 0.460 19604 1252 1 2 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.089 -0.107 19604 1253 1 2 . 1 1 120 120 GLU CA C 120 59.252 59.252 58.952 0.300 19604 1254 1 2 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.324 1.436 19604 1255 1 2 . 1 1 120 120 GLU H H 120 7.715 7.715 7.484 0.231 19604 1256 1 2 . 1 1 121 121 VAL N N 121 120.955 120.955 119.107 1.848 19604 1257 1 2 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.615 -0.159 19604 1258 1 2 . 1 1 121 121 VAL CA C 121 66.881 66.881 67.321 -0.440 19604 1259 1 2 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.428 -0.098 19604 1260 1 2 . 1 1 121 121 VAL H H 121 8.050 8.050 7.990 0.060 19604 1261 1 2 . 1 1 122 122 ASP N N 122 120.016 120.016 119.752 0.264 19604 1262 1 2 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.199 0.164 19604 1263 1 2 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.401 -0.687 19604 1264 1 2 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.717 -0.264 19604 1265 1 2 . 1 1 122 122 ASP H H 122 7.980 7.980 7.669 0.311 19604 1266 1 2 . 1 1 123 123 GLU N N 123 119.913 119.913 118.675 1.238 19604 1267 1 2 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.063 -0.018 19604 1268 1 2 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.978 0.327 19604 1269 1 2 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.360 -0.081 19604 1270 1 2 . 1 1 123 123 GLU H H 123 8.033 8.033 8.181 -0.148 19604 1271 1 2 . 1 1 124 124 MET N N 124 119.642 119.642 118.996 0.646 19604 1272 1 2 . 1 1 124 124 MET HA H 124 4.175 4.175 4.180 -0.005 19604 1273 1 2 . 1 1 124 124 MET CA C 124 60.420 60.420 59.193 1.227 19604 1274 1 2 . 1 1 124 124 MET CB C 124 33.408 33.408 32.812 0.596 19604 1275 1 2 . 1 1 124 124 MET H H 124 7.930 7.930 7.602 0.328 19604 1276 1 2 . 1 1 125 125 ILE N N 125 119.663 119.663 119.000 0.663 19604 1277 1 2 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.682 0.027 19604 1278 1 2 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.180 0.159 19604 1279 1 2 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.464 -0.129 19604 1280 1 2 . 1 1 125 125 ILE H H 125 8.147 8.147 8.024 0.123 19604 1281 1 2 . 1 1 126 126 ARG N N 126 118.998 118.998 118.868 0.130 19604 1282 1 2 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.969 0.103 19604 1283 1 2 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.419 0.409 19604 1284 1 2 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.195 0.136 19604 1285 1 2 . 1 1 126 126 ARG H H 126 8.431 8.431 8.213 0.218 19604 1286 1 2 . 1 1 127 127 GLU N N 127 116.058 116.058 118.658 -2.600 19604 1287 1 2 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.176 -0.192 19604 1288 1 2 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.454 0.351 19604 1289 1 2 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.997 -0.191 19604 1290 1 2 . 1 1 127 127 GLU H H 127 7.899 7.899 7.758 0.141 19604 1291 1 2 . 1 1 128 128 ALA N N 128 117.702 117.702 119.587 -1.885 19604 1292 1 2 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.156 0.297 19604 1293 1 2 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.471 -1.751 19604 1294 1 2 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.328 3.058 19604 1295 1 2 . 1 1 128 128 ALA H H 128 7.222 7.222 7.493 -0.271 19604 1296 1 2 . 1 1 129 129 ASP N N 129 117.996 117.996 119.220 -1.224 19604 1297 1 2 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.952 -0.455 19604 1298 1 2 . 1 1 129 129 ASP CA C 129 54.336 54.336 53.601 0.735 19604 1299 1 2 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.690 0.992 19604 1300 1 2 . 1 1 129 129 ASP H H 129 7.947 7.947 7.989 -0.042 19604 1301 1 2 . 1 1 130 130 ILE N N 130 128.199 128.199 124.468 3.731 19604 1302 1 2 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.845 0.063 19604 1303 1 2 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.774 -0.341 19604 1304 1 2 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.563 0.175 19604 1305 1 2 . 1 1 130 130 ILE H H 130 8.399 8.399 8.027 0.372 19604 1306 1 2 . 1 1 131 131 ASP N N 131 116.628 116.628 117.691 -1.063 19604 1307 1 2 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.490 0.023 19604 1308 1 2 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.857 -0.029 19604 1309 1 2 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.338 -0.349 19604 1310 1 2 . 1 1 131 131 ASP H H 131 8.258 8.258 8.438 -0.180 19604 1311 1 2 . 1 1 132 132 GLY N N 132 108.616 108.616 108.507 0.109 19604 1312 1 2 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.035 1.492 19604 1313 1 2 . 1 1 132 132 GLY H H 132 7.559 7.559 7.694 -0.135 19604 1314 1 2 . 1 1 133 133 ASP N N 133 120.901 120.901 119.869 1.032 19604 1315 1 2 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.569 -0.091 19604 1316 1 2 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.597 0.056 19604 1317 1 2 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.405 -1.134 19604 1318 1 2 . 1 1 133 133 ASP H H 133 8.340 8.340 8.747 -0.407 19604 1319 1 2 . 1 1 134 134 GLY N N 134 112.918 112.918 108.996 3.922 19604 1320 1 2 . 1 1 134 134 GLY CA C 134 45.868 45.868 45.001 0.867 19604 1321 1 2 . 1 1 134 134 GLY H H 134 10.366 10.366 8.850 1.516 19604 1322 1 2 . 1 1 135 135 GLN N N 135 115.297 115.297 117.913 -2.616 19604 1323 1 2 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.627 0.290 19604 1324 1 2 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.924 -1.697 19604 1325 1 2 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.296 -0.954 19604 1326 1 2 . 1 1 135 135 GLN H H 135 8.012 8.012 8.606 -0.594 19604 1327 1 2 . 1 1 136 136 VAL N N 136 125.463 125.463 121.553 3.910 19604 1328 1 2 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.029 0.189 19604 1329 1 2 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.002 1.661 19604 1330 1 2 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.295 1.463 19604 1331 1 2 . 1 1 136 136 VAL H H 136 9.133 9.133 8.706 0.427 19604 1332 1 2 . 1 1 137 137 ASN N N 137 129.402 129.402 126.158 3.244 19604 1333 1 2 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.735 0.564 19604 1334 1 2 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.933 0.093 19604 1335 1 2 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.375 -1.090 19604 1336 1 2 . 1 1 137 137 ASN H H 137 9.634 9.634 8.127 1.507 19604 1337 1 2 . 1 1 138 138 TYR N N 138 118.585 118.585 121.831 -3.246 19604 1338 1 2 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.374 -0.032 19604 1339 1 2 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.921 -0.404 19604 1340 1 2 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.024 -0.328 19604 1341 1 2 . 1 1 138 138 TYR H H 138 8.400 8.400 8.703 -0.303 19604 1342 1 2 . 1 1 139 139 GLU N N 139 118.692 118.692 119.004 -0.312 19604 1343 1 2 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.634 -0.016 19604 1344 1 2 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.929 0.385 19604 1345 1 2 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.049 -0.049 19604 1346 1 2 . 1 1 139 139 GLU H H 139 8.095 8.095 8.444 -0.349 19604 1347 1 2 . 1 1 140 140 GLU N N 140 119.980 119.980 119.262 0.718 19604 1348 1 2 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.047 -0.142 19604 1349 1 2 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.788 -0.256 19604 1350 1 2 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.717 -0.010 19604 1351 1 2 . 1 1 140 140 GLU H H 140 8.759 8.759 8.666 0.093 19604 1352 1 2 . 1 1 141 141 PHE N N 141 123.408 123.408 121.605 1.803 19604 1353 1 2 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.106 -0.375 19604 1354 1 2 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.717 0.266 19604 1355 1 2 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.280 0.893 19604 1356 1 2 . 1 1 141 141 PHE H H 141 8.639 8.639 8.172 0.467 19604 1357 1 2 . 1 1 142 142 VAL N N 142 119.839 119.839 119.625 0.214 19604 1358 1 2 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.279 -0.235 19604 1359 1 2 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.891 0.227 19604 1360 1 2 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.306 0.209 19604 1361 1 2 . 1 1 142 142 VAL H H 142 8.781 8.781 8.577 0.204 19604 1362 1 2 . 1 1 143 143 GLN N N 143 118.240 118.240 118.597 -0.357 19604 1363 1 2 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.815 -0.013 19604 1364 1 2 . 1 1 143 143 GLN CA C 143 58.817 58.817 59.158 -0.341 19604 1365 1 2 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.645 -0.470 19604 1366 1 2 . 1 1 143 143 GLN H H 143 7.491 7.491 7.862 -0.370 19604 1367 1 2 . 1 1 144 144 MET N N 144 116.028 116.028 118.985 -2.957 19604 1368 1 2 . 1 1 144 144 MET HA H 144 4.145 4.145 4.200 -0.055 19604 1369 1 2 . 1 1 144 144 MET CA C 144 55.939 55.939 57.588 -1.649 19604 1370 1 2 . 1 1 144 144 MET CB C 144 31.345 31.345 32.319 -0.974 19604 1371 1 2 . 1 1 144 144 MET H H 144 7.176 7.176 7.252 -0.076 19604 1372 1 2 . 1 1 145 145 MET N N 145 116.272 116.272 115.982 0.290 19604 1373 1 2 . 1 1 145 145 MET HA H 145 4.301 4.301 4.036 0.265 19604 1374 1 2 . 1 1 145 145 MET CA C 145 55.416 55.416 58.147 -2.731 19604 1375 1 2 . 1 1 145 145 MET CB C 145 32.831 32.831 32.853 -0.022 19604 1376 1 2 . 1 1 145 145 MET H H 145 7.831 7.831 7.665 0.166 19604 1377 1 2 . 1 1 146 146 THR N N 146 110.389 110.389 111.887 -1.498 19604 1378 1 2 . 1 1 146 146 THR HA H 146 4.308 4.308 4.253 0.055 19604 1379 1 2 . 1 1 146 146 THR CA C 146 61.942 61.942 64.559 -2.617 19604 1380 1 2 . 1 1 146 146 THR CB C 146 70.244 70.244 69.813 0.431 19604 1381 1 2 . 1 1 146 146 THR H H 146 7.474 7.474 7.790 -0.316 19604 1382 1 2 . 1 1 147 147 ALA N N 147 126.864 126.864 122.880 3.984 19604 1383 1 2 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.395 -0.187 19604 1384 1 2 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.693 0.305 19604 1385 1 2 . 1 1 147 147 ALA CB C 147 19.116 19.116 20.207 -1.091 19604 1386 1 2 . 1 1 147 147 ALA H H 147 7.622 7.622 7.917 -0.295 19604 1387 1 3 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.639 0.001 19604 1388 1 3 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.180 0.433 19604 1389 1 3 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.537 -0.186 19604 1390 1 3 . 1 1 3 3 GLN N N 3 120.300 120.300 118.074 2.226 19604 1391 1 3 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.041 0.332 19604 1392 1 3 . 1 1 3 3 GLN CA C 3 55.498 55.498 56.573 -1.075 19604 1393 1 3 . 1 1 3 3 GLN CB C 3 29.778 29.778 28.748 1.030 19604 1394 1 3 . 1 1 3 3 GLN H H 3 8.388 8.388 8.354 0.034 19604 1395 1 3 . 1 1 4 4 LEU N N 4 123.525 123.525 118.831 4.694 19604 1396 1 3 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.731 -0.044 19604 1397 1 3 . 1 1 4 4 LEU CA C 4 54.359 54.359 53.895 0.464 19604 1398 1 3 . 1 1 4 4 LEU CB C 4 43.653 43.653 44.418 -0.765 19604 1399 1 3 . 1 1 4 4 LEU H H 4 8.299 8.299 8.390 -0.091 19604 1400 1 3 . 1 1 5 5 THR N N 5 113.299 113.299 111.487 1.812 19604 1401 1 3 . 1 1 5 5 THR HA H 5 4.476 4.476 4.687 -0.211 19604 1402 1 3 . 1 1 5 5 THR CA C 5 60.463 60.463 60.033 0.430 19604 1403 1 3 . 1 1 5 5 THR CB C 5 71.250 71.250 71.592 -0.342 19604 1404 1 3 . 1 1 5 5 THR H H 5 8.651 8.651 8.295 0.356 19604 1405 1 3 . 1 1 6 6 GLU N N 6 120.620 120.620 120.599 0.021 19604 1406 1 3 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.006 -0.031 19604 1407 1 3 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.002 -0.067 19604 1408 1 3 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.648 -0.449 19604 1409 1 3 . 1 1 6 6 GLU H H 6 9.014 9.014 8.953 0.061 19604 1410 1 3 . 1 1 7 7 GLU N N 7 119.586 119.586 119.020 0.566 19604 1411 1 3 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.083 -0.015 19604 1412 1 3 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.014 0.929 19604 1413 1 3 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.357 -0.279 19604 1414 1 3 . 1 1 7 7 GLU H H 7 8.713 8.713 7.952 0.761 19604 1415 1 3 . 1 1 8 8 GLN N N 8 120.413 120.413 119.268 1.145 19604 1416 1 3 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.196 -0.371 19604 1417 1 3 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.817 -0.042 19604 1418 1 3 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.970 0.490 19604 1419 1 3 . 1 1 8 8 GLN H H 8 7.719 7.719 7.629 0.090 19604 1420 1 3 . 1 1 9 9 ILE N N 9 119.362 119.362 120.660 -1.298 19604 1421 1 3 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.928 -0.260 19604 1422 1 3 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.964 1.271 19604 1423 1 3 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.770 0.051 19604 1424 1 3 . 1 1 9 9 ILE H H 9 8.267 8.267 8.594 -0.327 19604 1425 1 3 . 1 1 10 10 ALA N N 10 121.321 121.321 122.601 -1.280 19604 1426 1 3 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.985 0.133 19604 1427 1 3 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.641 -0.244 19604 1428 1 3 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.931 -0.135 19604 1429 1 3 . 1 1 10 10 ALA H H 10 8.023 8.023 8.370 -0.347 19604 1430 1 3 . 1 1 11 11 GLU N N 11 119.865 119.865 119.030 0.835 19604 1431 1 3 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.035 0.106 19604 1432 1 3 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.537 -0.126 19604 1433 1 3 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.360 -0.152 19604 1434 1 3 . 1 1 11 11 GLU H H 11 7.761 7.761 7.644 0.117 19604 1435 1 3 . 1 1 12 12 PHE N N 12 119.971 119.971 119.223 0.748 19604 1436 1 3 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.257 0.766 19604 1437 1 3 . 1 1 12 12 PHE CA C 12 58.712 58.712 61.609 -2.897 19604 1438 1 3 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.885 -1.368 19604 1439 1 3 . 1 1 12 12 PHE H H 12 8.479 8.479 7.871 0.608 19604 1440 1 3 . 1 1 13 13 LYS N N 13 123.604 123.604 119.034 4.570 19604 1441 1 3 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.120 -0.146 19604 1442 1 3 . 1 1 13 13 LYS CA C 13 59.956 59.956 59.994 -0.038 19604 1443 1 3 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.196 -0.417 19604 1444 1 3 . 1 1 13 13 LYS H H 13 9.222 9.222 8.835 0.387 19604 1445 1 3 . 1 1 14 14 GLU N N 14 120.976 120.976 118.852 2.124 19604 1446 1 3 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.194 -0.081 19604 1447 1 3 . 1 1 14 14 GLU CA C 14 59.562 59.562 58.883 0.679 19604 1448 1 3 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.627 -0.211 19604 1449 1 3 . 1 1 14 14 GLU H H 14 7.924 7.924 7.970 -0.046 19604 1450 1 3 . 1 1 15 15 ALA N N 15 122.303 122.303 122.093 0.210 19604 1451 1 3 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.210 0.114 19604 1452 1 3 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.818 0.320 19604 1453 1 3 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.520 -0.518 19604 1454 1 3 . 1 1 15 15 ALA H H 15 7.990 7.990 7.896 0.094 19604 1455 1 3 . 1 1 16 16 PHE N N 16 119.011 119.011 119.149 -0.138 19604 1456 1 3 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.731 -0.461 19604 1457 1 3 . 1 1 16 16 PHE CA C 16 61.988 61.988 59.998 1.990 19604 1458 1 3 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.529 0.377 19604 1459 1 3 . 1 1 16 16 PHE H H 16 8.666 8.666 7.855 0.811 19604 1460 1 3 . 1 1 17 17 SER N N 17 113.988 113.988 114.909 -0.921 19604 1461 1 3 . 1 1 17 17 SER HA H 17 4.086 4.086 3.942 0.144 19604 1462 1 3 . 1 1 17 17 SER CA C 17 61.532 61.532 60.935 0.597 19604 1463 1 3 . 1 1 17 17 SER CB C 17 62.921 62.921 63.143 -0.222 19604 1464 1 3 . 1 1 17 17 SER H H 17 8.202 8.202 7.941 0.261 19604 1465 1 3 . 1 1 18 18 LEU N N 18 120.913 120.913 120.336 0.577 19604 1466 1 3 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.002 -0.052 19604 1467 1 3 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.114 0.373 19604 1468 1 3 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.911 -0.388 19604 1469 1 3 . 1 1 18 18 LEU H H 18 7.280 7.280 7.345 -0.065 19604 1470 1 3 . 1 1 19 19 PHE N N 19 113.613 113.613 114.819 -1.206 19604 1471 1 3 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.211 -0.179 19604 1472 1 3 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.807 -0.402 19604 1473 1 3 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.415 2.142 19604 1474 1 3 . 1 1 19 19 PHE H H 19 7.070 7.070 7.290 -0.220 19604 1475 1 3 . 1 1 20 20 ASP N N 20 117.393 117.393 119.602 -2.209 19604 1476 1 3 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.658 -0.065 19604 1477 1 3 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.687 -1.219 19604 1478 1 3 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.279 -0.983 19604 1479 1 3 . 1 1 20 20 ASP H H 20 7.790 7.790 7.495 0.295 19604 1480 1 3 . 1 1 21 21 LYS N N 21 124.292 124.292 125.857 -1.565 19604 1481 1 3 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.000 -0.022 19604 1482 1 3 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.637 -0.317 19604 1483 1 3 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.630 0.043 19604 1484 1 3 . 1 1 21 21 LYS H H 21 7.707 7.707 8.229 -0.522 19604 1485 1 3 . 1 1 22 22 ASP N N 22 114.139 114.139 114.576 -0.437 19604 1486 1 3 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.551 0.029 19604 1487 1 3 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.791 -1.000 19604 1488 1 3 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.281 -0.716 19604 1489 1 3 . 1 1 22 22 ASP H H 22 8.025 8.025 7.911 0.114 19604 1490 1 3 . 1 1 23 23 GLY N N 23 109.378 109.378 108.816 0.562 19604 1491 1 3 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.297 0.919 19604 1492 1 3 . 1 1 23 23 GLY H H 23 7.661 7.661 7.681 -0.020 19604 1493 1 3 . 1 1 24 24 ASP N N 24 121.022 121.022 119.909 1.113 19604 1494 1 3 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.507 0.008 19604 1495 1 3 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.585 0.093 19604 1496 1 3 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.639 -1.136 19604 1497 1 3 . 1 1 24 24 ASP H H 24 8.466 8.466 8.324 0.142 19604 1498 1 3 . 1 1 25 25 GLY N N 25 112.810 112.810 109.335 3.475 19604 1499 1 3 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.297 0.049 19604 1500 1 3 . 1 1 25 25 GLY H H 25 10.507 10.507 9.331 1.176 19604 1501 1 3 . 1 1 26 26 THR N N 26 112.094 112.094 113.301 -1.207 19604 1502 1 3 . 1 1 26 26 THR HA H 26 5.431 5.431 5.246 0.185 19604 1503 1 3 . 1 1 26 26 THR CA C 26 59.576 59.576 60.282 -0.706 19604 1504 1 3 . 1 1 26 26 THR CB C 26 72.730 72.730 71.602 1.128 19604 1505 1 3 . 1 1 26 26 THR H H 26 8.191 8.191 8.464 -0.273 19604 1506 1 3 . 1 1 27 27 ILE N N 27 126.447 126.447 126.810 -0.363 19604 1507 1 3 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.363 0.404 19604 1508 1 3 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.678 0.452 19604 1509 1 3 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.064 1.924 19604 1510 1 3 . 1 1 27 27 ILE H H 27 9.845 9.845 8.955 0.890 19604 1511 1 3 . 1 1 28 28 THR N N 28 116.315 116.315 118.243 -1.928 19604 1512 1 3 . 1 1 28 28 THR HA H 28 4.894 4.894 4.838 0.056 19604 1513 1 3 . 1 1 28 28 THR CA C 28 59.217 59.217 59.835 -0.618 19604 1514 1 3 . 1 1 28 28 THR CB C 28 72.480 72.480 71.372 1.108 19604 1515 1 3 . 1 1 28 28 THR H H 28 8.322 8.322 8.401 -0.079 19604 1516 1 3 . 1 1 29 29 THR N N 29 112.270 112.270 112.715 -0.445 19604 1517 1 3 . 1 1 29 29 THR HA H 29 3.790 3.790 4.034 -0.244 19604 1518 1 3 . 1 1 29 29 THR CA C 29 66.207 66.207 66.581 -0.374 19604 1519 1 3 . 1 1 29 29 THR CB C 29 67.737 67.737 68.375 -0.638 19604 1520 1 3 . 1 1 29 29 THR H H 29 9.251 9.251 8.905 0.346 19604 1521 1 3 . 1 1 30 30 LYS N N 30 121.127 121.127 121.443 -0.316 19604 1522 1 3 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.056 0.062 19604 1523 1 3 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.212 0.045 19604 1524 1 3 . 1 1 30 30 LYS CB C 30 32.533 32.533 31.872 0.661 19604 1525 1 3 . 1 1 30 30 LYS H H 30 7.569 7.569 7.698 -0.129 19604 1526 1 3 . 1 1 31 31 GLU N N 31 121.876 121.876 119.633 2.243 19604 1527 1 3 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.120 -0.104 19604 1528 1 3 . 1 1 31 31 GLU CA C 31 59.457 59.457 58.893 0.564 19604 1529 1 3 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.696 -0.145 19604 1530 1 3 . 1 1 31 31 GLU H H 31 7.715 7.715 7.570 0.145 19604 1531 1 3 . 1 1 32 32 LEU N N 32 120.674 120.674 121.656 -0.982 19604 1532 1 3 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.211 -0.017 19604 1533 1 3 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.670 0.517 19604 1534 1 3 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.465 0.691 19604 1535 1 3 . 1 1 32 32 LEU H H 32 8.592 8.592 8.547 0.045 19604 1536 1 3 . 1 1 33 33 GLY N N 33 106.859 106.859 104.957 1.902 19604 1537 1 3 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.138 1.089 19604 1538 1 3 . 1 1 33 33 GLY H H 33 8.861 8.861 8.671 0.190 19604 1539 1 3 . 1 1 34 34 THR N N 34 118.512 118.512 119.673 -1.161 19604 1540 1 3 . 1 1 34 34 THR HA H 34 3.935 3.935 3.967 -0.032 19604 1541 1 3 . 1 1 34 34 THR CA C 34 66.964 66.964 66.902 0.062 19604 1542 1 3 . 1 1 34 34 THR CB C 34 68.610 68.610 68.903 -0.293 19604 1543 1 3 . 1 1 34 34 THR H H 34 7.965 7.965 7.470 0.495 19604 1544 1 3 . 1 1 35 35 VAL N N 35 122.456 122.456 121.812 0.644 19604 1545 1 3 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.493 0.078 19604 1546 1 3 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.992 -0.433 19604 1547 1 3 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.751 -0.220 19604 1548 1 3 . 1 1 35 35 VAL H H 35 7.532 7.532 7.844 -0.312 19604 1549 1 3 . 1 1 36 36 MET N N 36 118.015 118.015 117.475 0.540 19604 1550 1 3 . 1 1 36 36 MET HA H 36 3.899 3.899 4.125 -0.226 19604 1551 1 3 . 1 1 36 36 MET CA C 36 60.156 60.156 58.563 1.593 19604 1552 1 3 . 1 1 36 36 MET CB C 36 31.731 31.731 31.722 0.009 19604 1553 1 3 . 1 1 36 36 MET H H 36 8.525 8.525 7.717 0.808 19604 1554 1 3 . 1 1 37 37 ARG N N 37 119.604 119.604 118.592 1.012 19604 1555 1 3 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.978 0.803 19604 1556 1 3 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.925 -0.669 19604 1557 1 3 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.926 -0.313 19604 1558 1 3 . 1 1 37 37 ARG H H 37 8.579 8.579 7.797 0.782 19604 1559 1 3 . 1 1 38 38 SER N N 38 119.543 119.543 114.820 4.723 19604 1560 1 3 . 1 1 38 38 SER HA H 38 4.396 4.396 4.283 0.113 19604 1561 1 3 . 1 1 38 38 SER CA C 38 61.758 61.758 61.079 0.679 19604 1562 1 3 . 1 1 38 38 SER CB C 38 62.691 62.691 62.888 -0.197 19604 1563 1 3 . 1 1 38 38 SER H H 38 7.939 7.939 7.781 0.158 19604 1564 1 3 . 1 1 39 39 LEU N N 39 120.454 120.454 120.469 -0.015 19604 1565 1 3 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.459 -0.018 19604 1566 1 3 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.092 -0.475 19604 1567 1 3 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.378 -0.248 19604 1568 1 3 . 1 1 39 39 LEU H H 39 7.394 7.394 7.170 0.224 19604 1569 1 3 . 1 1 40 40 GLY N N 40 107.378 107.378 106.677 0.701 19604 1570 1 3 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.563 1.052 19604 1571 1 3 . 1 1 40 40 GLY H H 40 7.897 7.897 7.929 -0.032 19604 1572 1 3 . 1 1 41 41 GLN N N 41 118.330 118.330 120.019 -1.689 19604 1573 1 3 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.474 0.027 19604 1574 1 3 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.686 -0.368 19604 1575 1 3 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.107 -0.613 19604 1576 1 3 . 1 1 41 41 GLN H H 41 7.883 7.883 8.262 -0.379 19604 1577 1 3 . 1 1 42 42 ASN N N 42 116.488 116.488 123.069 -6.581 19604 1578 1 3 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.046 0.166 19604 1579 1 3 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.783 1.345 19604 1580 1 3 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.669 0.502 19604 1581 1 3 . 1 1 42 42 ASN H H 42 8.697 8.697 8.602 0.095 19604 1582 1 3 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.687 0.097 19604 1583 1 3 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.657 -0.335 19604 1584 1 3 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.492 -0.214 19604 1585 1 3 . 1 1 44 44 THR N N 44 112.452 112.452 114.223 -1.771 19604 1586 1 3 . 1 1 44 44 THR HA H 44 4.461 4.461 4.324 0.137 19604 1587 1 3 . 1 1 44 44 THR CA C 44 60.411 60.411 60.923 -0.512 19604 1588 1 3 . 1 1 44 44 THR CB C 44 71.068 71.068 70.750 0.318 19604 1589 1 3 . 1 1 44 44 THR H H 44 8.678 8.678 8.191 0.487 19604 1590 1 3 . 1 1 45 45 GLU N N 45 120.954 120.954 122.279 -1.325 19604 1591 1 3 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.937 0.073 19604 1592 1 3 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.199 -0.316 19604 1593 1 3 . 1 1 45 45 GLU H H 45 8.803 8.803 8.979 -0.176 19604 1594 1 3 . 1 1 46 46 ALA N N 46 120.643 120.643 120.321 0.322 19604 1595 1 3 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.213 -0.096 19604 1596 1 3 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.369 0.644 19604 1597 1 3 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.147 0.026 19604 1598 1 3 . 1 1 46 46 ALA H H 46 8.272 8.272 8.232 0.040 19604 1599 1 3 . 1 1 47 47 GLU N N 47 119.059 119.059 120.411 -1.352 19604 1600 1 3 . 1 1 47 47 GLU HA H 47 4.035 4.035 3.975 0.060 19604 1601 1 3 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.359 -0.196 19604 1602 1 3 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.713 0.213 19604 1603 1 3 . 1 1 47 47 GLU H H 47 7.686 7.686 7.649 0.037 19604 1604 1 3 . 1 1 48 48 LEU N N 48 119.848 119.848 119.603 0.245 19604 1605 1 3 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.952 0.073 19604 1606 1 3 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.277 -0.436 19604 1607 1 3 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.839 0.591 19604 1608 1 3 . 1 1 48 48 LEU H H 48 8.036 8.036 8.413 -0.377 19604 1609 1 3 . 1 1 49 49 GLN N N 49 118.226 118.226 117.701 0.525 19604 1610 1 3 . 1 1 49 49 GLN HA H 49 3.803 3.803 4.003 -0.200 19604 1611 1 3 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.378 0.183 19604 1612 1 3 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.956 0.286 19604 1613 1 3 . 1 1 49 49 GLN H H 49 8.323 8.323 7.699 0.624 19604 1614 1 3 . 1 1 50 50 ASP N N 50 119.928 119.928 121.235 -1.307 19604 1615 1 3 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.446 -0.048 19604 1616 1 3 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.804 0.805 19604 1617 1 3 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.814 -0.181 19604 1618 1 3 . 1 1 50 50 ASP H H 50 8.147 8.147 7.772 0.375 19604 1619 1 3 . 1 1 51 51 MET N N 51 117.796 117.796 119.265 -1.469 19604 1620 1 3 . 1 1 51 51 MET HA H 51 4.050 4.050 4.308 -0.258 19604 1621 1 3 . 1 1 51 51 MET CA C 51 59.555 59.555 59.678 -0.123 19604 1622 1 3 . 1 1 51 51 MET CB C 51 32.846 32.846 32.891 -0.045 19604 1623 1 3 . 1 1 51 51 MET H H 51 7.814 7.814 8.182 -0.368 19604 1624 1 3 . 1 1 52 52 ILE N N 52 118.474 118.474 117.983 0.491 19604 1625 1 3 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.619 -0.020 19604 1626 1 3 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.765 -0.659 19604 1627 1 3 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.460 -0.401 19604 1628 1 3 . 1 1 52 52 ILE H H 52 7.685 7.685 7.892 -0.207 19604 1629 1 3 . 1 1 53 53 ASN N N 53 118.591 118.591 117.458 1.133 19604 1630 1 3 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.526 -0.109 19604 1631 1 3 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.504 0.401 19604 1632 1 3 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.244 -0.253 19604 1633 1 3 . 1 1 53 53 ASN H H 53 8.786 8.786 7.999 0.787 19604 1634 1 3 . 1 1 54 54 GLU N N 54 115.327 115.327 118.640 -3.313 19604 1635 1 3 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.091 -0.043 19604 1636 1 3 . 1 1 54 54 GLU CA C 54 59.077 59.077 59.014 0.062 19604 1637 1 3 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.921 1.004 19604 1638 1 3 . 1 1 54 54 GLU H H 54 7.368 7.368 8.178 -0.810 19604 1639 1 3 . 1 1 55 55 VAL N N 55 111.285 111.285 110.643 0.642 19604 1640 1 3 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.214 0.013 19604 1641 1 3 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.616 0.216 19604 1642 1 3 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.273 2.043 19604 1643 1 3 . 1 1 55 55 VAL H H 55 7.133 7.133 7.315 -0.182 19604 1644 1 3 . 1 1 56 56 ASP N N 56 121.291 121.291 121.701 -0.410 19604 1645 1 3 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.857 -0.389 19604 1646 1 3 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.302 0.398 19604 1647 1 3 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.848 -0.265 19604 1648 1 3 . 1 1 56 56 ASP H H 56 7.567 7.567 7.569 -0.002 19604 1649 1 3 . 1 1 57 57 ALA N N 57 131.432 131.432 130.586 0.846 19604 1650 1 3 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.167 0.062 19604 1651 1 3 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.756 0.599 19604 1652 1 3 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.819 -0.124 19604 1653 1 3 . 1 1 57 57 ALA H H 57 8.064 8.064 7.990 0.074 19604 1654 1 3 . 1 1 58 58 ASP N N 58 114.063 114.063 116.578 -2.515 19604 1655 1 3 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.569 0.068 19604 1656 1 3 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.551 -0.783 19604 1657 1 3 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.590 -0.742 19604 1658 1 3 . 1 1 58 58 ASP H H 58 8.211 8.211 8.276 -0.065 19604 1659 1 3 . 1 1 59 59 GLY N N 59 108.646 108.646 109.161 -0.515 19604 1660 1 3 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.930 1.270 19604 1661 1 3 . 1 1 59 59 GLY H H 59 7.584 7.584 7.919 -0.335 19604 1662 1 3 . 1 1 60 60 ASN N N 60 118.886 118.886 118.561 0.325 19604 1663 1 3 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.762 -0.142 19604 1664 1 3 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.323 0.354 19604 1665 1 3 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.639 -2.060 19604 1666 1 3 . 1 1 60 60 ASN H H 60 8.162 8.162 8.587 -0.425 19604 1667 1 3 . 1 1 61 61 GLY N N 61 113.458 113.458 109.842 3.616 19604 1668 1 3 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.381 0.258 19604 1669 1 3 . 1 1 61 61 GLY H H 61 10.568 10.568 9.083 1.485 19604 1670 1 3 . 1 1 62 62 THR N N 62 108.490 108.490 110.849 -2.359 19604 1671 1 3 . 1 1 62 62 THR HA H 62 4.800 4.800 5.135 -0.335 19604 1672 1 3 . 1 1 62 62 THR CA C 62 59.327 59.327 59.991 -0.664 19604 1673 1 3 . 1 1 62 62 THR CB C 62 72.409 72.409 72.346 0.063 19604 1674 1 3 . 1 1 62 62 THR H H 62 7.643 7.643 8.351 -0.708 19604 1675 1 3 . 1 1 63 63 ILE N N 63 123.350 123.350 123.178 0.172 19604 1676 1 3 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.655 0.559 19604 1677 1 3 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.933 -1.882 19604 1678 1 3 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.792 0.813 19604 1679 1 3 . 1 1 63 63 ILE H H 63 8.544 8.544 8.488 0.056 19604 1680 1 3 . 1 1 64 64 ASP N N 64 128.480 128.480 127.910 0.570 19604 1681 1 3 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.106 0.401 19604 1682 1 3 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.809 -1.825 19604 1683 1 3 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.600 -0.397 19604 1684 1 3 . 1 1 64 64 ASP H H 64 8.902 8.902 7.889 1.013 19604 1685 1 3 . 1 1 65 65 PHE N N 65 118.622 118.622 120.029 -1.407 19604 1686 1 3 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.220 0.759 19604 1687 1 3 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.290 1.795 19604 1688 1 3 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.630 -0.728 19604 1689 1 3 . 1 1 65 65 PHE H H 65 8.967 8.967 8.465 0.502 19604 1690 1 3 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.605 0.283 19604 1691 1 3 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.770 2.080 19604 1692 1 3 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.659 0.141 19604 1693 1 3 . 1 1 67 67 GLU N N 67 118.243 118.243 119.215 -0.972 19604 1694 1 3 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.932 0.033 19604 1695 1 3 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.728 -0.683 19604 1696 1 3 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.971 0.903 19604 1697 1 3 . 1 1 67 67 GLU H H 67 8.420 8.420 8.114 0.306 19604 1698 1 3 . 1 1 68 68 PHE N N 68 124.020 124.020 119.862 4.158 19604 1699 1 3 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.250 -0.465 19604 1700 1 3 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.998 0.489 19604 1701 1 3 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.515 1.267 19604 1702 1 3 . 1 1 68 68 PHE H H 68 8.638 8.638 7.480 1.158 19604 1703 1 3 . 1 1 69 69 LEU N N 69 120.062 120.062 120.803 -0.741 19604 1704 1 3 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.795 -0.427 19604 1705 1 3 . 1 1 69 69 LEU CA C 69 57.854 57.854 58.038 -0.183 19604 1706 1 3 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.145 0.240 19604 1707 1 3 . 1 1 69 69 LEU H H 69 8.972 8.972 7.347 1.625 19604 1708 1 3 . 1 1 70 70 THR N N 70 115.488 115.488 114.135 1.353 19604 1709 1 3 . 1 1 70 70 THR HA H 70 3.697 3.697 3.802 -0.105 19604 1710 1 3 . 1 1 70 70 THR CA C 70 66.558 66.558 66.011 0.547 19604 1711 1 3 . 1 1 70 70 THR CB C 70 68.396 68.396 68.646 -0.250 19604 1712 1 3 . 1 1 70 70 THR H H 70 7.855 7.855 8.002 -0.147 19604 1713 1 3 . 1 1 71 71 MET N N 71 119.627 119.627 120.836 -1.209 19604 1714 1 3 . 1 1 71 71 MET HA H 71 3.757 3.757 4.013 -0.256 19604 1715 1 3 . 1 1 71 71 MET CA C 71 58.334 58.334 58.406 -0.072 19604 1716 1 3 . 1 1 71 71 MET CB C 71 30.736 30.736 32.044 -1.308 19604 1717 1 3 . 1 1 71 71 MET H H 71 7.155 7.155 7.315 -0.160 19604 1718 1 3 . 1 1 72 72 MET N N 72 116.046 116.046 116.163 -0.117 19604 1719 1 3 . 1 1 72 72 MET HA H 72 3.977 3.977 4.247 -0.270 19604 1720 1 3 . 1 1 72 72 MET CA C 72 55.138 55.138 58.241 -3.103 19604 1721 1 3 . 1 1 72 72 MET CB C 72 29.103 29.103 33.222 -4.119 19604 1722 1 3 . 1 1 72 72 MET H H 72 7.646 7.646 7.404 0.242 19604 1723 1 3 . 1 1 73 73 ALA N N 73 120.685 120.685 121.336 -0.651 19604 1724 1 3 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.967 0.215 19604 1725 1 3 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.826 -1.726 19604 1726 1 3 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.753 1.539 19604 1727 1 3 . 1 1 73 73 ALA H H 73 8.080 8.080 8.361 -0.281 19604 1728 1 3 . 1 1 74 74 ARG N N 74 118.501 118.501 118.737 -0.236 19604 1729 1 3 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.011 0.177 19604 1730 1 3 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.487 -1.510 19604 1731 1 3 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.932 0.585 19604 1732 1 3 . 1 1 74 74 ARG H H 74 7.367 7.367 7.987 -0.620 19604 1733 1 3 . 1 1 76 76 MET HA H 76 4.413 4.413 4.793 -0.380 19604 1734 1 3 . 1 1 76 76 MET CA C 76 55.804 55.804 55.730 0.074 19604 1735 1 3 . 1 1 76 76 MET CB C 76 33.291 33.291 33.658 -0.367 19604 1736 1 3 . 1 1 77 77 LYS N N 77 121.563 121.563 122.123 -0.560 19604 1737 1 3 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.503 -0.182 19604 1738 1 3 . 1 1 77 77 LYS CA C 77 56.418 56.418 57.474 -1.056 19604 1739 1 3 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.423 -1.173 19604 1740 1 3 . 1 1 77 77 LYS H H 77 8.253 8.253 8.097 0.156 19604 1741 1 3 . 1 1 78 78 ASP N N 78 121.953 121.953 116.966 4.987 19604 1742 1 3 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.691 -0.073 19604 1743 1 3 . 1 1 78 78 ASP CA C 78 54.855 54.855 53.846 1.009 19604 1744 1 3 . 1 1 78 78 ASP CB C 78 41.116 41.116 42.477 -1.361 19604 1745 1 3 . 1 1 78 78 ASP H H 78 8.362 8.362 7.838 0.524 19604 1746 1 3 . 1 1 79 79 THR N N 79 113.276 113.276 114.657 -1.381 19604 1747 1 3 . 1 1 79 79 THR HA H 79 4.305 4.305 4.139 0.166 19604 1748 1 3 . 1 1 79 79 THR CA C 79 62.124 62.124 63.565 -1.441 19604 1749 1 3 . 1 1 79 79 THR CB C 79 69.634 69.634 68.839 0.795 19604 1750 1 3 . 1 1 79 79 THR H H 79 8.014 8.014 8.666 -0.652 19604 1751 1 3 . 1 1 80 80 ASP N N 80 122.850 122.850 120.091 2.759 19604 1752 1 3 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.608 0.067 19604 1753 1 3 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.586 0.069 19604 1754 1 3 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.227 0.197 19604 1755 1 3 . 1 1 80 80 ASP H H 80 8.316 8.316 8.356 -0.040 19604 1756 1 3 . 1 1 81 81 SER N N 81 116.864 116.864 118.016 -1.152 19604 1757 1 3 . 1 1 81 81 SER HA H 81 4.429 4.429 4.042 0.387 19604 1758 1 3 . 1 1 81 81 SER CA C 81 59.337 59.337 61.436 -2.099 19604 1759 1 3 . 1 1 81 81 SER CB C 81 63.672 63.672 62.897 0.775 19604 1760 1 3 . 1 1 81 81 SER H H 81 8.391 8.391 8.546 -0.155 19604 1761 1 3 . 1 1 82 82 GLU N N 82 122.561 122.561 120.924 1.637 19604 1762 1 3 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.076 -0.003 19604 1763 1 3 . 1 1 82 82 GLU CA C 82 59.179 59.179 58.977 0.202 19604 1764 1 3 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.135 0.377 19604 1765 1 3 . 1 1 82 82 GLU H H 82 8.479 8.479 8.772 -0.293 19604 1766 1 3 . 1 1 83 83 GLU N N 83 119.348 119.348 119.175 0.173 19604 1767 1 3 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.131 -0.087 19604 1768 1 3 . 1 1 83 83 GLU CA C 83 59.647 59.647 58.868 0.779 19604 1769 1 3 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.560 -0.029 19604 1770 1 3 . 1 1 83 83 GLU H H 83 8.279 8.279 8.186 0.093 19604 1771 1 3 . 1 1 84 84 GLU N N 84 118.810 118.810 120.378 -1.568 19604 1772 1 3 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.084 0.029 19604 1773 1 3 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.322 0.155 19604 1774 1 3 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.208 0.461 19604 1775 1 3 . 1 1 84 84 GLU H H 84 8.062 8.062 7.589 0.473 19604 1776 1 3 . 1 1 85 85 ILE N N 85 122.019 122.019 119.163 2.856 19604 1777 1 3 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.966 -0.048 19604 1778 1 3 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.401 -0.074 19604 1779 1 3 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.750 -0.322 19604 1780 1 3 . 1 1 85 85 ILE H H 85 8.008 8.008 7.869 0.139 19604 1781 1 3 . 1 1 86 86 ARG N N 86 121.851 121.851 119.251 2.600 19604 1782 1 3 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.206 -0.040 19604 1783 1 3 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.738 0.288 19604 1784 1 3 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.971 -0.004 19604 1785 1 3 . 1 1 86 86 ARG H H 86 8.446 8.446 7.903 0.543 19604 1786 1 3 . 1 1 87 87 GLU N N 87 118.621 118.621 120.144 -1.523 19604 1787 1 3 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.116 -0.006 19604 1788 1 3 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.180 -0.073 19604 1789 1 3 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.587 -0.161 19604 1790 1 3 . 1 1 87 87 GLU H H 87 8.149 8.149 7.471 0.678 19604 1791 1 3 . 1 1 88 88 ALA N N 88 121.741 121.741 122.683 -0.942 19604 1792 1 3 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.682 0.343 19604 1793 1 3 . 1 1 88 88 ALA CA C 88 54.986 54.986 55.170 -0.184 19604 1794 1 3 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.164 -0.440 19604 1795 1 3 . 1 1 88 88 ALA H H 88 7.880 7.880 8.392 -0.512 19604 1796 1 3 . 1 1 89 89 PHE N N 89 118.057 118.057 119.260 -1.203 19604 1797 1 3 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.799 -0.650 19604 1798 1 3 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.324 1.042 19604 1799 1 3 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.141 0.196 19604 1800 1 3 . 1 1 89 89 PHE H H 89 8.463 8.463 8.073 0.390 19604 1801 1 3 . 1 1 90 90 ARG N N 90 115.723 115.723 118.786 -3.063 19604 1802 1 3 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.878 0.014 19604 1803 1 3 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.689 0.199 19604 1804 1 3 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.071 0.335 19604 1805 1 3 . 1 1 90 90 ARG H H 90 7.775 7.775 7.457 0.318 19604 1806 1 3 . 1 1 91 91 VAL N N 91 118.161 118.161 118.007 0.154 19604 1807 1 3 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.513 0.011 19604 1808 1 3 . 1 1 91 91 VAL CA C 91 65.596 65.596 66.220 -0.624 19604 1809 1 3 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.550 -0.007 19604 1810 1 3 . 1 1 91 91 VAL H H 91 7.484 7.484 8.066 -0.582 19604 1811 1 3 . 1 1 92 92 PHE N N 92 117.398 117.398 115.161 2.237 19604 1812 1 3 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.198 0.080 19604 1813 1 3 . 1 1 92 92 PHE CA C 92 58.681 58.681 58.190 0.492 19604 1814 1 3 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.219 1.635 19604 1815 1 3 . 1 1 92 92 PHE H H 92 7.544 7.544 7.530 0.014 19604 1816 1 3 . 1 1 93 93 ASP N N 93 117.503 117.503 119.248 -1.745 19604 1817 1 3 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.387 0.154 19604 1818 1 3 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.007 -1.825 19604 1819 1 3 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.067 -1.640 19604 1820 1 3 . 1 1 93 93 ASP H H 93 7.963 7.963 7.416 0.547 19604 1821 1 3 . 1 1 94 94 LYS N N 94 125.976 125.976 125.030 0.946 19604 1822 1 3 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.146 -0.240 19604 1823 1 3 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.974 1.089 19604 1824 1 3 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.928 0.105 19604 1825 1 3 . 1 1 94 94 LYS H H 94 7.585 7.585 8.058 -0.473 19604 1826 1 3 . 1 1 95 95 ASP N N 95 114.100 114.100 115.267 -1.167 19604 1827 1 3 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.512 0.042 19604 1828 1 3 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.737 -0.671 19604 1829 1 3 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.393 -0.644 19604 1830 1 3 . 1 1 95 95 ASP H H 95 8.186 8.186 7.975 0.211 19604 1831 1 3 . 1 1 96 96 GLY N N 96 109.383 109.383 108.149 1.234 19604 1832 1 3 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.102 1.046 19604 1833 1 3 . 1 1 96 96 GLY H H 96 7.809 7.809 7.738 0.071 19604 1834 1 3 . 1 1 97 97 ASN N N 97 119.744 119.744 119.426 0.318 19604 1835 1 3 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.653 -0.007 19604 1836 1 3 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.816 -0.161 19604 1837 1 3 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.937 -0.748 19604 1838 1 3 . 1 1 97 97 ASN H H 97 8.336 8.336 8.562 -0.226 19604 1839 1 3 . 1 1 98 98 GLY N N 98 112.937 112.937 107.623 5.314 19604 1840 1 3 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.519 -0.486 19604 1841 1 3 . 1 1 98 98 GLY H H 98 10.653 10.653 8.624 2.029 19604 1842 1 3 . 1 1 99 99 TYR N N 99 115.956 115.956 118.007 -2.051 19604 1843 1 3 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.000 0.061 19604 1844 1 3 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.628 -1.439 19604 1845 1 3 . 1 1 99 99 TYR CB C 99 43.044 43.044 41.966 1.078 19604 1846 1 3 . 1 1 99 99 TYR H H 99 7.630 7.630 8.428 -0.798 19604 1847 1 3 . 1 1 100 100 ILE N N 100 127.360 127.360 124.822 2.538 19604 1848 1 3 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.636 0.148 19604 1849 1 3 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.479 0.540 19604 1850 1 3 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.732 -0.747 19604 1851 1 3 . 1 1 100 100 ILE H H 100 10.174 10.174 9.003 1.171 19604 1852 1 3 . 1 1 101 101 SER N N 101 124.117 124.117 122.565 1.552 19604 1853 1 3 . 1 1 101 101 SER HA H 101 4.885 4.885 4.985 -0.100 19604 1854 1 3 . 1 1 101 101 SER CA C 101 55.722 55.722 55.891 -0.169 19604 1855 1 3 . 1 1 101 101 SER CB C 101 66.631 66.631 66.195 0.435 19604 1856 1 3 . 1 1 101 101 SER H H 101 8.977 8.977 8.079 0.898 19604 1857 1 3 . 1 1 102 102 ALA N N 102 123.057 123.057 123.090 -0.033 19604 1858 1 3 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.192 -0.268 19604 1859 1 3 . 1 1 102 102 ALA CA C 102 55.954 55.954 54.891 1.063 19604 1860 1 3 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.453 -0.562 19604 1861 1 3 . 1 1 102 102 ALA H H 102 9.261 9.261 8.928 0.333 19604 1862 1 3 . 1 1 103 103 ALA N N 103 118.685 118.685 121.268 -2.583 19604 1863 1 3 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.089 -0.065 19604 1864 1 3 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.770 0.450 19604 1865 1 3 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.381 -0.066 19604 1866 1 3 . 1 1 103 103 ALA H H 103 8.271 8.271 7.728 0.543 19604 1867 1 3 . 1 1 104 104 GLU N N 104 119.737 119.737 119.313 0.424 19604 1868 1 3 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.067 -0.030 19604 1869 1 3 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.206 0.044 19604 1870 1 3 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.733 -0.517 19604 1871 1 3 . 1 1 104 104 GLU H H 104 7.857 7.857 7.602 0.255 19604 1872 1 3 . 1 1 105 105 LEU N N 105 122.037 122.037 119.828 2.209 19604 1873 1 3 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.937 0.099 19604 1874 1 3 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.869 0.183 19604 1875 1 3 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.978 0.136 19604 1876 1 3 . 1 1 105 105 LEU H H 105 8.685 8.685 8.177 0.508 19604 1877 1 3 . 1 1 106 106 ARG N N 106 118.484 118.484 118.055 0.429 19604 1878 1 3 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.950 -0.242 19604 1879 1 3 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.601 0.429 19604 1880 1 3 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.801 0.516 19604 1881 1 3 . 1 1 106 106 ARG H H 106 8.682 8.682 7.567 1.115 19604 1882 1 3 . 1 1 107 107 HIS N N 107 118.917 118.917 119.494 -0.577 19604 1883 1 3 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.335 -0.039 19604 1884 1 3 . 1 1 107 107 HIS CA C 107 59.842 59.842 58.519 1.323 19604 1885 1 3 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.014 1.562 19604 1886 1 3 . 1 1 107 107 HIS H H 107 7.803 7.803 7.566 0.237 19604 1887 1 3 . 1 1 108 108 VAL N N 108 119.662 119.662 118.790 0.872 19604 1888 1 3 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.551 -0.093 19604 1889 1 3 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.069 0.383 19604 1890 1 3 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.514 0.079 19604 1891 1 3 . 1 1 108 108 VAL H H 108 7.887 7.887 7.468 0.419 19604 1892 1 3 . 1 1 109 109 MET N N 109 115.981 115.981 118.686 -2.705 19604 1893 1 3 . 1 1 109 109 MET HA H 109 4.296 4.296 4.167 0.129 19604 1894 1 3 . 1 1 109 109 MET CA C 109 57.062 57.062 57.783 -0.722 19604 1895 1 3 . 1 1 109 109 MET H H 109 8.128 8.128 7.520 0.608 19604 1896 1 3 . 1 1 110 110 THR N N 110 116.866 116.866 114.598 2.268 19604 1897 1 3 . 1 1 110 110 THR HA H 110 4.080 4.080 3.965 0.115 19604 1898 1 3 . 1 1 110 110 THR CA C 110 66.402 66.402 66.764 -0.362 19604 1899 1 3 . 1 1 110 110 THR CB C 110 68.574 68.574 68.464 0.110 19604 1900 1 3 . 1 1 110 110 THR H H 110 8.302 8.302 8.502 -0.200 19604 1901 1 3 . 1 1 111 111 ASN N N 111 122.811 122.811 118.391 4.420 19604 1902 1 3 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.573 -0.128 19604 1903 1 3 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.088 0.723 19604 1904 1 3 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.452 -0.477 19604 1905 1 3 . 1 1 111 111 ASN H H 111 7.849 7.849 7.664 0.185 19604 1906 1 3 . 1 1 112 112 LEU N N 112 118.869 118.869 119.555 -0.686 19604 1907 1 3 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.309 0.036 19604 1908 1 3 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.705 -0.614 19604 1909 1 3 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.683 -0.603 19604 1910 1 3 . 1 1 112 112 LEU H H 112 7.666 7.666 7.459 0.207 19604 1911 1 3 . 1 1 113 113 GLY N N 113 107.124 107.124 106.746 0.378 19604 1912 1 3 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.544 0.873 19604 1913 1 3 . 1 1 113 113 GLY H H 113 7.818 7.818 7.613 0.205 19604 1914 1 3 . 1 1 114 114 GLU N N 114 120.113 120.113 120.993 -0.880 19604 1915 1 3 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.558 -0.131 19604 1916 1 3 . 1 1 114 114 GLU CA C 114 54.596 54.596 53.920 0.676 19604 1917 1 3 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.249 -0.539 19604 1918 1 3 . 1 1 114 114 GLU H H 114 7.895 7.895 7.650 0.245 19604 1919 1 3 . 1 1 115 115 LYS N N 115 124.920 124.920 124.997 -0.077 19604 1920 1 3 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.227 0.153 19604 1921 1 3 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.803 -1.410 19604 1922 1 3 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.106 -0.061 19604 1923 1 3 . 1 1 115 115 LYS H H 115 8.583 8.583 8.517 0.066 19604 1924 1 3 . 1 1 116 116 LEU N N 116 124.979 124.979 125.574 -0.595 19604 1925 1 3 . 1 1 116 116 LEU HA H 116 4.767 4.767 5.011 -0.244 19604 1926 1 3 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.738 0.343 19604 1927 1 3 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.586 -1.054 19604 1928 1 3 . 1 1 116 116 LEU H H 116 8.082 8.082 8.209 -0.127 19604 1929 1 3 . 1 1 117 117 THR N N 117 114.448 114.448 113.452 0.996 19604 1930 1 3 . 1 1 117 117 THR HA H 117 4.452 4.452 4.609 -0.157 19604 1931 1 3 . 1 1 117 117 THR CA C 117 60.690 60.690 59.787 0.903 19604 1932 1 3 . 1 1 117 117 THR CB C 117 71.051 71.051 70.900 0.151 19604 1933 1 3 . 1 1 117 117 THR H H 117 9.172 9.172 8.351 0.821 19604 1934 1 3 . 1 1 118 118 ASP N N 118 121.175 121.175 119.714 1.461 19604 1935 1 3 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.333 -0.120 19604 1936 1 3 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.545 -0.554 19604 1937 1 3 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.557 -0.887 19604 1938 1 3 . 1 1 118 118 ASP H H 118 8.889 8.889 8.780 0.109 19604 1939 1 3 . 1 1 119 119 GLU N N 119 119.386 119.386 119.388 -0.002 19604 1940 1 3 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.087 0.001 19604 1941 1 3 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.771 1.242 19604 1942 1 3 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.810 -0.638 19604 1943 1 3 . 1 1 119 119 GLU H H 119 8.665 8.665 7.870 0.795 19604 1944 1 3 . 1 1 120 120 GLU N N 120 120.564 120.564 119.615 0.949 19604 1945 1 3 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.146 -0.164 19604 1946 1 3 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.071 0.181 19604 1947 1 3 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.820 0.940 19604 1948 1 3 . 1 1 120 120 GLU H H 120 7.715 7.715 7.472 0.243 19604 1949 1 3 . 1 1 121 121 VAL N N 121 120.955 120.955 118.387 2.568 19604 1950 1 3 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.850 -0.394 19604 1951 1 3 . 1 1 121 121 VAL CA C 121 66.881 66.881 64.607 2.274 19604 1952 1 3 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.491 -0.161 19604 1953 1 3 . 1 1 121 121 VAL H H 121 8.050 8.050 8.359 -0.309 19604 1954 1 3 . 1 1 122 122 ASP N N 122 120.016 120.016 120.491 -0.475 19604 1955 1 3 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.244 0.119 19604 1956 1 3 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.861 -0.147 19604 1957 1 3 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.765 -0.312 19604 1958 1 3 . 1 1 122 122 ASP H H 122 7.980 7.980 7.891 0.089 19604 1959 1 3 . 1 1 123 123 GLU N N 123 119.913 119.913 118.706 1.207 19604 1960 1 3 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.059 -0.014 19604 1961 1 3 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.909 0.396 19604 1962 1 3 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.428 -0.149 19604 1963 1 3 . 1 1 123 123 GLU H H 123 8.033 8.033 7.903 0.130 19604 1964 1 3 . 1 1 124 124 MET N N 124 119.642 119.642 118.542 1.100 19604 1965 1 3 . 1 1 124 124 MET HA H 124 4.175 4.175 4.174 0.001 19604 1966 1 3 . 1 1 124 124 MET CA C 124 60.420 60.420 59.307 1.113 19604 1967 1 3 . 1 1 124 124 MET CB C 124 33.408 33.408 32.835 0.573 19604 1968 1 3 . 1 1 124 124 MET H H 124 7.930 7.930 7.736 0.194 19604 1969 1 3 . 1 1 125 125 ILE N N 125 119.663 119.663 119.407 0.256 19604 1970 1 3 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.725 -0.016 19604 1971 1 3 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.092 0.247 19604 1972 1 3 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.545 -0.210 19604 1973 1 3 . 1 1 125 125 ILE H H 125 8.147 8.147 7.947 0.200 19604 1974 1 3 . 1 1 126 126 ARG N N 126 118.998 118.998 118.830 0.168 19604 1975 1 3 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.963 0.109 19604 1976 1 3 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.470 0.358 19604 1977 1 3 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.227 0.104 19604 1978 1 3 . 1 1 126 126 ARG H H 126 8.431 8.431 8.212 0.219 19604 1979 1 3 . 1 1 127 127 GLU N N 127 116.058 116.058 118.452 -2.394 19604 1980 1 3 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.178 -0.194 19604 1981 1 3 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.406 0.399 19604 1982 1 3 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.766 0.040 19604 1983 1 3 . 1 1 127 127 GLU H H 127 7.899 7.899 7.702 0.197 19604 1984 1 3 . 1 1 128 128 ALA N N 128 117.702 117.702 119.571 -1.869 19604 1985 1 3 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.116 0.337 19604 1986 1 3 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.464 -1.744 19604 1987 1 3 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.267 3.119 19604 1988 1 3 . 1 1 128 128 ALA H H 128 7.222 7.222 7.520 -0.298 19604 1989 1 3 . 1 1 129 129 ASP N N 129 117.996 117.996 119.428 -1.432 19604 1990 1 3 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.791 -0.294 19604 1991 1 3 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.036 0.300 19604 1992 1 3 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.650 1.032 19604 1993 1 3 . 1 1 129 129 ASP H H 129 7.947 7.947 8.045 -0.098 19604 1994 1 3 . 1 1 130 130 ILE N N 130 128.199 128.199 124.160 4.039 19604 1995 1 3 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.858 0.050 19604 1996 1 3 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.513 -0.080 19604 1997 1 3 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.548 0.190 19604 1998 1 3 . 1 1 130 130 ILE H H 130 8.399 8.399 8.158 0.241 19604 1999 1 3 . 1 1 131 131 ASP N N 131 116.628 116.628 117.549 -0.921 19604 2000 1 3 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.499 0.014 19604 2001 1 3 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.786 0.042 19604 2002 1 3 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.396 -0.407 19604 2003 1 3 . 1 1 131 131 ASP H H 131 8.258 8.258 7.948 0.310 19604 2004 1 3 . 1 1 132 132 GLY N N 132 108.616 108.616 108.516 0.100 19604 2005 1 3 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.054 1.473 19604 2006 1 3 . 1 1 132 132 GLY H H 132 7.559 7.559 7.691 -0.132 19604 2007 1 3 . 1 1 133 133 ASP N N 133 120.901 120.901 119.831 1.070 19604 2008 1 3 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.563 -0.085 19604 2009 1 3 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.622 0.031 19604 2010 1 3 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.369 -1.098 19604 2011 1 3 . 1 1 133 133 ASP H H 133 8.340 8.340 8.720 -0.380 19604 2012 1 3 . 1 1 134 134 GLY N N 134 112.918 112.918 108.901 4.017 19604 2013 1 3 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.954 0.914 19604 2014 1 3 . 1 1 134 134 GLY H H 134 10.366 10.366 8.822 1.544 19604 2015 1 3 . 1 1 135 135 GLN N N 135 115.297 115.297 117.886 -2.589 19604 2016 1 3 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.663 0.254 19604 2017 1 3 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.796 -1.569 19604 2018 1 3 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.479 -1.137 19604 2019 1 3 . 1 1 135 135 GLN H H 135 8.012 8.012 8.544 -0.532 19604 2020 1 3 . 1 1 136 136 VAL N N 136 125.463 125.463 122.369 3.094 19604 2021 1 3 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.920 0.298 19604 2022 1 3 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.815 0.848 19604 2023 1 3 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.507 1.251 19604 2024 1 3 . 1 1 136 136 VAL H H 136 9.133 9.133 8.701 0.432 19604 2025 1 3 . 1 1 137 137 ASN N N 137 129.402 129.402 126.066 3.336 19604 2026 1 3 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.660 0.639 19604 2027 1 3 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.689 0.337 19604 2028 1 3 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.539 -1.254 19604 2029 1 3 . 1 1 137 137 ASN H H 137 9.634 9.634 8.274 1.360 19604 2030 1 3 . 1 1 138 138 TYR N N 138 118.585 118.585 122.290 -3.705 19604 2031 1 3 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.101 0.241 19604 2032 1 3 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.875 -0.358 19604 2033 1 3 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.077 -0.381 19604 2034 1 3 . 1 1 138 138 TYR H H 138 8.400 8.400 8.655 -0.255 19604 2035 1 3 . 1 1 139 139 GLU N N 139 118.692 118.692 118.660 0.032 19604 2036 1 3 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.703 -0.085 19604 2037 1 3 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.579 0.735 19604 2038 1 3 . 1 1 139 139 GLU CB C 139 29.000 29.000 28.871 0.129 19604 2039 1 3 . 1 1 139 139 GLU H H 139 8.095 8.095 8.532 -0.437 19604 2040 1 3 . 1 1 140 140 GLU N N 140 119.980 119.980 119.199 0.781 19604 2041 1 3 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.074 -0.169 19604 2042 1 3 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.862 -0.330 19604 2043 1 3 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.778 -0.071 19604 2044 1 3 . 1 1 140 140 GLU H H 140 8.759 8.759 8.292 0.467 19604 2045 1 3 . 1 1 141 141 PHE N N 141 123.408 123.408 121.455 1.953 19604 2046 1 3 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.133 -0.402 19604 2047 1 3 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.674 0.309 19604 2048 1 3 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.286 0.887 19604 2049 1 3 . 1 1 141 141 PHE H H 141 8.639 8.639 8.487 0.152 19604 2050 1 3 . 1 1 142 142 VAL N N 142 119.839 119.839 118.730 1.109 19604 2051 1 3 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.403 -0.359 19604 2052 1 3 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.011 1.107 19604 2053 1 3 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.343 0.172 19604 2054 1 3 . 1 1 142 142 VAL H H 142 8.781 8.781 8.387 0.394 19604 2055 1 3 . 1 1 143 143 GLN N N 143 118.240 118.240 118.608 -0.368 19604 2056 1 3 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.991 -0.189 19604 2057 1 3 . 1 1 143 143 GLN CA C 143 58.817 58.817 57.876 0.941 19604 2058 1 3 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.228 -0.053 19604 2059 1 3 . 1 1 143 143 GLN H H 143 7.491 7.491 7.300 0.191 19604 2060 1 3 . 1 1 144 144 MET N N 144 116.028 116.028 119.316 -3.288 19604 2061 1 3 . 1 1 144 144 MET HA H 144 4.145 4.145 4.133 0.012 19604 2062 1 3 . 1 1 144 144 MET CA C 144 55.939 55.939 57.580 -1.641 19604 2063 1 3 . 1 1 144 144 MET CB C 144 31.345 31.345 32.423 -1.078 19604 2064 1 3 . 1 1 144 144 MET H H 144 7.176 7.176 8.065 -0.889 19604 2065 1 3 . 1 1 145 145 MET N N 145 116.272 116.272 118.505 -2.233 19604 2066 1 3 . 1 1 145 145 MET HA H 145 4.301 4.301 4.077 0.224 19604 2067 1 3 . 1 1 145 145 MET CA C 145 55.416 55.416 58.149 -2.733 19604 2068 1 3 . 1 1 145 145 MET CB C 145 32.831 32.831 32.831 -0.000 19604 2069 1 3 . 1 1 145 145 MET H H 145 7.831 7.831 7.839 -0.008 19604 2070 1 3 . 1 1 146 146 THR N N 146 110.389 110.389 112.993 -2.604 19604 2071 1 3 . 1 1 146 146 THR HA H 146 4.308 4.308 4.392 -0.084 19604 2072 1 3 . 1 1 146 146 THR CA C 146 61.942 61.942 60.908 1.034 19604 2073 1 3 . 1 1 146 146 THR CB C 146 70.244 70.244 68.714 1.530 19604 2074 1 3 . 1 1 146 146 THR H H 146 7.474 7.474 7.378 0.096 19604 2075 1 3 . 1 1 147 147 ALA N N 147 126.864 126.864 125.417 1.447 19604 2076 1 3 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.126 0.082 19604 2077 1 3 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.340 -0.342 19604 2078 1 3 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.341 -0.225 19604 2079 1 3 . 1 1 147 147 ALA H H 147 7.622 7.622 7.360 0.262 19604 2080 1 4 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.807 -0.167 19604 2081 1 4 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.290 0.323 19604 2082 1 4 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.315 0.036 19604 2083 1 4 . 1 1 3 3 GLN N N 3 120.300 120.300 120.177 0.123 19604 2084 1 4 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.571 -0.198 19604 2085 1 4 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.166 0.332 19604 2086 1 4 . 1 1 3 3 GLN CB C 3 29.778 29.778 31.115 -1.337 19604 2087 1 4 . 1 1 3 3 GLN H H 3 8.388 8.388 8.456 -0.068 19604 2088 1 4 . 1 1 4 4 LEU N N 4 123.525 123.525 121.982 1.543 19604 2089 1 4 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.708 -0.021 19604 2090 1 4 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.227 0.132 19604 2091 1 4 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.407 0.246 19604 2092 1 4 . 1 1 4 4 LEU H H 4 8.299 8.299 8.550 -0.251 19604 2093 1 4 . 1 1 5 5 THR N N 5 113.299 113.299 112.920 0.379 19604 2094 1 4 . 1 1 5 5 THR HA H 5 4.476 4.476 4.576 -0.100 19604 2095 1 4 . 1 1 5 5 THR CA C 5 60.463 60.463 59.868 0.595 19604 2096 1 4 . 1 1 5 5 THR CB C 5 71.250 71.250 71.448 -0.198 19604 2097 1 4 . 1 1 5 5 THR H H 5 8.651 8.651 8.135 0.516 19604 2098 1 4 . 1 1 6 6 GLU N N 6 120.620 120.620 121.090 -0.470 19604 2099 1 4 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.004 -0.029 19604 2100 1 4 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.478 -0.543 19604 2101 1 4 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.667 -0.468 19604 2102 1 4 . 1 1 6 6 GLU H H 6 9.014 9.014 8.893 0.121 19604 2103 1 4 . 1 1 7 7 GLU N N 7 119.586 119.586 118.826 0.760 19604 2104 1 4 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.071 -0.003 19604 2105 1 4 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.126 0.817 19604 2106 1 4 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.508 -0.430 19604 2107 1 4 . 1 1 7 7 GLU H H 7 8.713 8.713 7.923 0.790 19604 2108 1 4 . 1 1 8 8 GLN N N 8 120.413 120.413 119.155 1.258 19604 2109 1 4 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.186 -0.361 19604 2110 1 4 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.747 0.028 19604 2111 1 4 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.953 0.507 19604 2112 1 4 . 1 1 8 8 GLN H H 8 7.719 7.719 7.664 0.055 19604 2113 1 4 . 1 1 9 9 ILE N N 9 119.362 119.362 120.548 -1.186 19604 2114 1 4 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.992 -0.324 19604 2115 1 4 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.800 1.435 19604 2116 1 4 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.870 -0.049 19604 2117 1 4 . 1 1 9 9 ILE H H 9 8.267 8.267 8.663 -0.396 19604 2118 1 4 . 1 1 10 10 ALA N N 10 121.321 121.321 122.994 -1.673 19604 2119 1 4 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.905 0.213 19604 2120 1 4 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.713 -0.316 19604 2121 1 4 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.868 -0.072 19604 2122 1 4 . 1 1 10 10 ALA H H 10 8.023 8.023 8.367 -0.344 19604 2123 1 4 . 1 1 11 11 GLU N N 11 119.865 119.865 118.764 1.101 19604 2124 1 4 . 1 1 11 11 GLU HA H 11 4.141 4.141 3.949 0.192 19604 2125 1 4 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.189 0.222 19604 2126 1 4 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.493 -0.285 19604 2127 1 4 . 1 1 11 11 GLU H H 11 7.761 7.761 7.592 0.169 19604 2128 1 4 . 1 1 12 12 PHE N N 12 119.971 119.971 118.376 1.595 19604 2129 1 4 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.303 0.720 19604 2130 1 4 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.952 -2.240 19604 2131 1 4 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.697 -1.180 19604 2132 1 4 . 1 1 12 12 PHE H H 12 8.479 8.479 7.462 1.017 19604 2133 1 4 . 1 1 13 13 LYS N N 13 123.604 123.604 120.603 3.001 19604 2134 1 4 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.065 -0.091 19604 2135 1 4 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.532 -0.576 19604 2136 1 4 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.199 -0.421 19604 2137 1 4 . 1 1 13 13 LYS H H 13 9.222 9.222 8.758 0.464 19604 2138 1 4 . 1 1 14 14 GLU N N 14 120.976 120.976 118.494 2.482 19604 2139 1 4 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.107 0.006 19604 2140 1 4 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.220 0.342 19604 2141 1 4 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.591 -0.176 19604 2142 1 4 . 1 1 14 14 GLU H H 14 7.924 7.924 7.857 0.067 19604 2143 1 4 . 1 1 15 15 ALA N N 15 122.303 122.303 121.870 0.433 19604 2144 1 4 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.111 0.213 19604 2145 1 4 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.789 0.349 19604 2146 1 4 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.353 -0.351 19604 2147 1 4 . 1 1 15 15 ALA H H 15 7.990 7.990 7.792 0.198 19604 2148 1 4 . 1 1 16 16 PHE N N 16 119.011 119.011 119.638 -0.627 19604 2149 1 4 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.802 -0.532 19604 2150 1 4 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.281 1.707 19604 2151 1 4 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.478 0.428 19604 2152 1 4 . 1 1 16 16 PHE H H 16 8.666 8.666 7.927 0.739 19604 2153 1 4 . 1 1 17 17 SER N N 17 113.988 113.988 115.484 -1.496 19604 2154 1 4 . 1 1 17 17 SER HA H 17 4.086 4.086 3.989 0.097 19604 2155 1 4 . 1 1 17 17 SER CA C 17 61.532 61.532 61.786 -0.254 19604 2156 1 4 . 1 1 17 17 SER CB C 17 62.921 62.921 63.360 -0.439 19604 2157 1 4 . 1 1 17 17 SER H H 17 8.202 8.202 8.210 -0.008 19604 2158 1 4 . 1 1 18 18 LEU N N 18 120.913 120.913 120.968 -0.055 19604 2159 1 4 . 1 1 18 18 LEU HA H 18 3.950 3.950 3.964 -0.014 19604 2160 1 4 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.160 0.327 19604 2161 1 4 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.699 -0.176 19604 2162 1 4 . 1 1 18 18 LEU H H 18 7.280 7.280 7.383 -0.103 19604 2163 1 4 . 1 1 19 19 PHE N N 19 113.613 113.613 114.584 -0.971 19604 2164 1 4 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.206 -0.174 19604 2165 1 4 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.367 0.039 19604 2166 1 4 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.130 2.427 19604 2167 1 4 . 1 1 19 19 PHE H H 19 7.070 7.070 7.127 -0.057 19604 2168 1 4 . 1 1 20 20 ASP N N 20 117.393 117.393 118.966 -1.573 19604 2169 1 4 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.459 0.134 19604 2170 1 4 . 1 1 20 20 ASP CA C 20 52.468 52.468 54.158 -1.690 19604 2171 1 4 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.182 -0.886 19604 2172 1 4 . 1 1 20 20 ASP H H 20 7.790 7.790 7.657 0.133 19604 2173 1 4 . 1 1 21 21 LYS N N 21 124.292 124.292 124.306 -0.014 19604 2174 1 4 . 1 1 21 21 LYS HA H 21 3.978 3.978 3.988 -0.010 19604 2175 1 4 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.425 -0.105 19604 2176 1 4 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.782 -0.109 19604 2177 1 4 . 1 1 21 21 LYS H H 21 7.707 7.707 8.040 -0.333 19604 2178 1 4 . 1 1 22 22 ASP N N 22 114.139 114.139 115.081 -0.942 19604 2179 1 4 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.496 0.084 19604 2180 1 4 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.799 -1.008 19604 2181 1 4 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.272 -0.707 19604 2182 1 4 . 1 1 22 22 ASP H H 22 8.025 8.025 8.221 -0.196 19604 2183 1 4 . 1 1 23 23 GLY N N 23 109.378 109.378 109.102 0.276 19604 2184 1 4 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.237 0.979 19604 2185 1 4 . 1 1 23 23 GLY H H 23 7.661 7.661 7.652 0.009 19604 2186 1 4 . 1 1 24 24 ASP N N 24 121.022 121.022 119.674 1.348 19604 2187 1 4 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.536 -0.021 19604 2188 1 4 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.564 0.114 19604 2189 1 4 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.534 -1.031 19604 2190 1 4 . 1 1 24 24 ASP H H 24 8.466 8.466 8.314 0.152 19604 2191 1 4 . 1 1 25 25 GLY N N 25 112.810 112.810 109.110 3.700 19604 2192 1 4 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.281 0.065 19604 2193 1 4 . 1 1 25 25 GLY H H 25 10.507 10.507 8.926 1.581 19604 2194 1 4 . 1 1 26 26 THR N N 26 112.094 112.094 113.389 -1.295 19604 2195 1 4 . 1 1 26 26 THR HA H 26 5.431 5.431 5.178 0.253 19604 2196 1 4 . 1 1 26 26 THR CA C 26 59.576 59.576 60.298 -0.722 19604 2197 1 4 . 1 1 26 26 THR CB C 26 72.730 72.730 71.597 1.133 19604 2198 1 4 . 1 1 26 26 THR H H 26 8.191 8.191 8.363 -0.172 19604 2199 1 4 . 1 1 27 27 ILE N N 27 126.447 126.447 126.847 -0.400 19604 2200 1 4 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.861 -0.094 19604 2201 1 4 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.300 0.830 19604 2202 1 4 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.517 1.471 19604 2203 1 4 . 1 1 27 27 ILE H H 27 9.845 9.845 8.871 0.974 19604 2204 1 4 . 1 1 28 28 THR N N 28 116.315 116.315 118.412 -2.097 19604 2205 1 4 . 1 1 28 28 THR HA H 28 4.894 4.894 4.871 0.023 19604 2206 1 4 . 1 1 28 28 THR CA C 28 59.217 59.217 59.766 -0.549 19604 2207 1 4 . 1 1 28 28 THR CB C 28 72.480 72.480 71.684 0.796 19604 2208 1 4 . 1 1 28 28 THR H H 28 8.322 8.322 9.336 -1.014 19604 2209 1 4 . 1 1 29 29 THR N N 29 112.270 112.270 112.076 0.194 19604 2210 1 4 . 1 1 29 29 THR HA H 29 3.790 3.790 3.981 -0.191 19604 2211 1 4 . 1 1 29 29 THR CA C 29 66.207 66.207 66.585 -0.378 19604 2212 1 4 . 1 1 29 29 THR CB C 29 67.737 67.737 68.335 -0.598 19604 2213 1 4 . 1 1 29 29 THR H H 29 9.251 9.251 8.873 0.378 19604 2214 1 4 . 1 1 30 30 LYS N N 30 121.127 121.127 122.555 -1.428 19604 2215 1 4 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.089 0.029 19604 2216 1 4 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.149 0.108 19604 2217 1 4 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.139 0.394 19604 2218 1 4 . 1 1 30 30 LYS H H 30 7.569 7.569 7.565 0.004 19604 2219 1 4 . 1 1 31 31 GLU N N 31 121.876 121.876 120.176 1.700 19604 2220 1 4 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.086 -0.070 19604 2221 1 4 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.304 0.152 19604 2222 1 4 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.652 -0.101 19604 2223 1 4 . 1 1 31 31 GLU H H 31 7.715 7.715 7.631 0.084 19604 2224 1 4 . 1 1 32 32 LEU N N 32 120.674 120.674 120.804 -0.130 19604 2225 1 4 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.225 -0.031 19604 2226 1 4 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.386 0.801 19604 2227 1 4 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.506 0.650 19604 2228 1 4 . 1 1 32 32 LEU H H 32 8.592 8.592 8.498 0.094 19604 2229 1 4 . 1 1 33 33 GLY N N 33 106.859 106.859 106.273 0.586 19604 2230 1 4 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.184 1.042 19604 2231 1 4 . 1 1 33 33 GLY H H 33 8.861 8.861 8.510 0.351 19604 2232 1 4 . 1 1 34 34 THR N N 34 118.512 118.512 118.960 -0.448 19604 2233 1 4 . 1 1 34 34 THR HA H 34 3.935 3.935 3.950 -0.015 19604 2234 1 4 . 1 1 34 34 THR CA C 34 66.964 66.964 67.563 -0.599 19604 2235 1 4 . 1 1 34 34 THR CB C 34 68.610 68.610 68.762 -0.152 19604 2236 1 4 . 1 1 34 34 THR H H 34 7.965 7.965 7.975 -0.010 19604 2237 1 4 . 1 1 35 35 VAL N N 35 122.456 122.456 121.046 1.410 19604 2238 1 4 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.695 -0.124 19604 2239 1 4 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.584 -0.025 19604 2240 1 4 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.398 0.133 19604 2241 1 4 . 1 1 35 35 VAL H H 35 7.532 7.532 7.578 -0.046 19604 2242 1 4 . 1 1 36 36 MET N N 36 118.015 118.015 116.260 1.755 19604 2243 1 4 . 1 1 36 36 MET HA H 36 3.899 3.899 4.199 -0.300 19604 2244 1 4 . 1 1 36 36 MET CA C 36 60.156 60.156 57.961 2.195 19604 2245 1 4 . 1 1 36 36 MET CB C 36 31.731 31.731 31.195 0.536 19604 2246 1 4 . 1 1 36 36 MET H H 36 8.525 8.525 7.718 0.807 19604 2247 1 4 . 1 1 37 37 ARG N N 37 119.604 119.604 120.556 -0.952 19604 2248 1 4 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.149 0.632 19604 2249 1 4 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.841 -0.585 19604 2250 1 4 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.848 -0.235 19604 2251 1 4 . 1 1 37 37 ARG H H 37 8.579 8.579 7.966 0.613 19604 2252 1 4 . 1 1 38 38 SER N N 38 119.543 119.543 115.340 4.203 19604 2253 1 4 . 1 1 38 38 SER HA H 38 4.396 4.396 4.286 0.110 19604 2254 1 4 . 1 1 38 38 SER CA C 38 61.758 61.758 61.177 0.581 19604 2255 1 4 . 1 1 38 38 SER CB C 38 62.691 62.691 62.974 -0.283 19604 2256 1 4 . 1 1 38 38 SER H H 38 7.939 7.939 7.756 0.183 19604 2257 1 4 . 1 1 39 39 LEU N N 39 120.454 120.454 119.607 0.847 19604 2258 1 4 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.390 0.051 19604 2259 1 4 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.349 -0.733 19604 2260 1 4 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.543 -0.413 19604 2261 1 4 . 1 1 39 39 LEU H H 39 7.394 7.394 7.493 -0.099 19604 2262 1 4 . 1 1 40 40 GLY N N 40 107.378 107.378 106.409 0.969 19604 2263 1 4 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.557 1.058 19604 2264 1 4 . 1 1 40 40 GLY H H 40 7.897 7.897 7.834 0.063 19604 2265 1 4 . 1 1 41 41 GLN N N 41 118.330 118.330 119.665 -1.335 19604 2266 1 4 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.451 0.050 19604 2267 1 4 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.835 -0.517 19604 2268 1 4 . 1 1 41 41 GLN CB C 41 30.494 30.494 32.110 -1.616 19604 2269 1 4 . 1 1 41 41 GLN H H 41 7.883 7.883 8.235 -0.352 19604 2270 1 4 . 1 1 42 42 ASN N N 42 116.488 116.488 122.860 -6.372 19604 2271 1 4 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.049 0.163 19604 2272 1 4 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.975 1.153 19604 2273 1 4 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.251 -0.080 19604 2274 1 4 . 1 1 42 42 ASN H H 42 8.697 8.697 8.733 -0.036 19604 2275 1 4 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.886 -0.102 19604 2276 1 4 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.819 -0.497 19604 2277 1 4 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.043 -0.765 19604 2278 1 4 . 1 1 44 44 THR N N 44 112.452 112.452 112.622 -0.170 19604 2279 1 4 . 1 1 44 44 THR HA H 44 4.461 4.461 4.525 -0.064 19604 2280 1 4 . 1 1 44 44 THR CA C 44 60.411 60.411 59.818 0.593 19604 2281 1 4 . 1 1 44 44 THR CB C 44 71.068 71.068 71.306 -0.238 19604 2282 1 4 . 1 1 44 44 THR H H 44 8.678 8.678 8.304 0.374 19604 2283 1 4 . 1 1 45 45 GLU N N 45 120.954 120.954 121.921 -0.967 19604 2284 1 4 . 1 1 45 45 GLU HA H 45 4.010 4.010 4.054 -0.044 19604 2285 1 4 . 1 1 45 45 GLU CA C 45 59.883 59.883 61.051 -1.168 19604 2286 1 4 . 1 1 45 45 GLU H H 45 8.803 8.803 8.948 -0.145 19604 2287 1 4 . 1 1 46 46 ALA N N 46 120.643 120.643 120.567 0.076 19604 2288 1 4 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.210 -0.093 19604 2289 1 4 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.690 0.323 19604 2290 1 4 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.172 0.001 19604 2291 1 4 . 1 1 46 46 ALA H H 46 8.272 8.272 8.282 -0.010 19604 2292 1 4 . 1 1 47 47 GLU N N 47 119.059 119.059 119.862 -0.803 19604 2293 1 4 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.057 -0.022 19604 2294 1 4 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.148 0.015 19604 2295 1 4 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.679 0.247 19604 2296 1 4 . 1 1 47 47 GLU H H 47 7.686 7.686 7.568 0.118 19604 2297 1 4 . 1 1 48 48 LEU N N 48 119.848 119.848 119.951 -0.103 19604 2298 1 4 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.962 0.063 19604 2299 1 4 . 1 1 48 48 LEU CA C 48 57.841 57.841 57.823 0.018 19604 2300 1 4 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.846 0.584 19604 2301 1 4 . 1 1 48 48 LEU H H 48 8.036 8.036 8.415 -0.379 19604 2302 1 4 . 1 1 49 49 GLN N N 49 118.226 118.226 118.417 -0.191 19604 2303 1 4 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.926 -0.123 19604 2304 1 4 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.574 -0.013 19604 2305 1 4 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.688 0.554 19604 2306 1 4 . 1 1 49 49 GLN H H 49 8.323 8.323 8.160 0.163 19604 2307 1 4 . 1 1 50 50 ASP N N 50 119.928 119.928 120.037 -0.109 19604 2308 1 4 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.401 -0.003 19604 2309 1 4 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.266 0.344 19604 2310 1 4 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.745 -0.112 19604 2311 1 4 . 1 1 50 50 ASP H H 50 8.147 8.147 7.864 0.283 19604 2312 1 4 . 1 1 51 51 MET N N 51 117.796 117.796 116.392 1.404 19604 2313 1 4 . 1 1 51 51 MET HA H 51 4.050 4.050 4.627 -0.577 19604 2314 1 4 . 1 1 51 51 MET CA C 51 59.555 59.555 58.296 1.259 19604 2315 1 4 . 1 1 51 51 MET CB C 51 32.846 32.846 32.716 0.130 19604 2316 1 4 . 1 1 51 51 MET H H 51 7.814 7.814 7.454 0.360 19604 2317 1 4 . 1 1 52 52 ILE N N 52 118.474 118.474 120.576 -2.102 19604 2318 1 4 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.529 0.070 19604 2319 1 4 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.163 -1.057 19604 2320 1 4 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.604 -0.545 19604 2321 1 4 . 1 1 52 52 ILE H H 52 7.685 7.685 8.671 -0.986 19604 2322 1 4 . 1 1 53 53 ASN N N 53 118.591 118.591 117.236 1.355 19604 2323 1 4 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.465 -0.048 19604 2324 1 4 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.632 0.273 19604 2325 1 4 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.135 -0.144 19604 2326 1 4 . 1 1 53 53 ASN H H 53 8.786 8.786 8.241 0.545 19604 2327 1 4 . 1 1 54 54 GLU N N 54 115.327 115.327 117.916 -2.589 19604 2328 1 4 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.053 -0.005 19604 2329 1 4 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.856 0.221 19604 2330 1 4 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.076 0.849 19604 2331 1 4 . 1 1 54 54 GLU H H 54 7.368 7.368 7.548 -0.180 19604 2332 1 4 . 1 1 55 55 VAL N N 55 111.285 111.285 110.992 0.293 19604 2333 1 4 . 1 1 55 55 VAL HA H 55 4.227 4.227 3.952 0.275 19604 2334 1 4 . 1 1 55 55 VAL CA C 55 60.832 60.832 62.721 -1.889 19604 2335 1 4 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.014 1.302 19604 2336 1 4 . 1 1 55 55 VAL H H 55 7.133 7.133 7.189 -0.056 19604 2337 1 4 . 1 1 56 56 ASP N N 56 121.291 121.291 121.614 -0.323 19604 2338 1 4 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.697 -0.229 19604 2339 1 4 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.318 -0.618 19604 2340 1 4 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.499 0.084 19604 2341 1 4 . 1 1 56 56 ASP H H 56 7.567 7.567 7.560 0.007 19604 2342 1 4 . 1 1 57 57 ALA N N 57 131.432 131.432 130.573 0.859 19604 2343 1 4 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.166 0.063 19604 2344 1 4 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.736 0.619 19604 2345 1 4 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.852 -0.157 19604 2346 1 4 . 1 1 57 57 ALA H H 57 8.064 8.064 7.931 0.133 19604 2347 1 4 . 1 1 58 58 ASP N N 58 114.063 114.063 116.641 -2.578 19604 2348 1 4 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.568 0.069 19604 2349 1 4 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.614 -0.846 19604 2350 1 4 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.663 -0.815 19604 2351 1 4 . 1 1 58 58 ASP H H 58 8.211 8.211 8.516 -0.305 19604 2352 1 4 . 1 1 59 59 GLY N N 59 108.646 108.646 109.199 -0.553 19604 2353 1 4 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.883 1.317 19604 2354 1 4 . 1 1 59 59 GLY H H 59 7.584 7.584 7.920 -0.336 19604 2355 1 4 . 1 1 60 60 ASN N N 60 118.886 118.886 118.630 0.256 19604 2356 1 4 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.763 -0.143 19604 2357 1 4 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.330 0.347 19604 2358 1 4 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.668 -2.089 19604 2359 1 4 . 1 1 60 60 ASN H H 60 8.162 8.162 8.705 -0.543 19604 2360 1 4 . 1 1 61 61 GLY N N 61 113.458 113.458 110.005 3.453 19604 2361 1 4 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.300 0.339 19604 2362 1 4 . 1 1 61 61 GLY H H 61 10.568 10.568 9.075 1.493 19604 2363 1 4 . 1 1 62 62 THR N N 62 108.490 108.490 109.740 -1.250 19604 2364 1 4 . 1 1 62 62 THR HA H 62 4.800 4.800 5.012 -0.212 19604 2365 1 4 . 1 1 62 62 THR CA C 62 59.327 59.327 59.445 -0.118 19604 2366 1 4 . 1 1 62 62 THR CB C 62 72.409 72.409 72.451 -0.042 19604 2367 1 4 . 1 1 62 62 THR H H 62 7.643 7.643 8.315 -0.672 19604 2368 1 4 . 1 1 63 63 ILE N N 63 123.350 123.350 122.230 1.120 19604 2369 1 4 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.738 0.476 19604 2370 1 4 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.637 -1.586 19604 2371 1 4 . 1 1 63 63 ILE CB C 63 39.605 39.605 39.319 0.286 19604 2372 1 4 . 1 1 63 63 ILE H H 63 8.544 8.544 8.461 0.083 19604 2373 1 4 . 1 1 64 64 ASP N N 64 128.480 128.480 127.347 1.133 19604 2374 1 4 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.192 0.315 19604 2375 1 4 . 1 1 64 64 ASP CA C 64 51.985 51.985 54.042 -2.058 19604 2376 1 4 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.553 -0.350 19604 2377 1 4 . 1 1 64 64 ASP H H 64 8.902 8.902 7.925 0.977 19604 2378 1 4 . 1 1 65 65 PHE N N 65 118.622 118.622 120.050 -1.428 19604 2379 1 4 . 1 1 65 65 PHE HA H 65 3.979 3.979 2.912 1.067 19604 2380 1 4 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.188 1.897 19604 2381 1 4 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.506 -0.604 19604 2382 1 4 . 1 1 65 65 PHE H H 65 8.967 8.967 8.501 0.466 19604 2383 1 4 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.610 0.278 19604 2384 1 4 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.830 2.020 19604 2385 1 4 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.654 0.146 19604 2386 1 4 . 1 1 67 67 GLU N N 67 118.243 118.243 118.682 -0.439 19604 2387 1 4 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.925 0.040 19604 2388 1 4 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.847 -0.802 19604 2389 1 4 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.938 0.937 19604 2390 1 4 . 1 1 67 67 GLU H H 67 8.420 8.420 8.254 0.166 19604 2391 1 4 . 1 1 68 68 PHE N N 68 124.020 124.020 119.579 4.441 19604 2392 1 4 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.331 -0.546 19604 2393 1 4 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.883 0.604 19604 2394 1 4 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.620 1.162 19604 2395 1 4 . 1 1 68 68 PHE H H 68 8.638 8.638 7.528 1.110 19604 2396 1 4 . 1 1 69 69 LEU N N 69 120.062 120.062 120.364 -0.302 19604 2397 1 4 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.923 -0.555 19604 2398 1 4 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.685 0.169 19604 2399 1 4 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.513 -0.128 19604 2400 1 4 . 1 1 69 69 LEU H H 69 8.972 8.972 7.379 1.593 19604 2401 1 4 . 1 1 70 70 THR N N 70 115.488 115.488 114.290 1.198 19604 2402 1 4 . 1 1 70 70 THR HA H 70 3.697 3.697 3.678 0.019 19604 2403 1 4 . 1 1 70 70 THR CA C 70 66.558 66.558 66.162 0.396 19604 2404 1 4 . 1 1 70 70 THR CB C 70 68.396 68.396 68.530 -0.134 19604 2405 1 4 . 1 1 70 70 THR H H 70 7.855 7.855 8.145 -0.290 19604 2406 1 4 . 1 1 71 71 MET N N 71 119.627 119.627 120.295 -0.668 19604 2407 1 4 . 1 1 71 71 MET HA H 71 3.757 3.757 3.981 -0.224 19604 2408 1 4 . 1 1 71 71 MET CA C 71 58.334 58.334 58.884 -0.550 19604 2409 1 4 . 1 1 71 71 MET CB C 71 30.736 30.736 32.312 -1.576 19604 2410 1 4 . 1 1 71 71 MET H H 71 7.155 7.155 7.292 -0.137 19604 2411 1 4 . 1 1 72 72 MET N N 72 116.046 116.046 116.655 -0.609 19604 2412 1 4 . 1 1 72 72 MET HA H 72 3.977 3.977 4.169 -0.192 19604 2413 1 4 . 1 1 72 72 MET CA C 72 55.138 55.138 57.796 -2.658 19604 2414 1 4 . 1 1 72 72 MET CB C 72 29.103 29.103 32.256 -3.153 19604 2415 1 4 . 1 1 72 72 MET H H 72 7.646 7.646 7.419 0.227 19604 2416 1 4 . 1 1 73 73 ALA N N 73 120.685 120.685 121.416 -0.731 19604 2417 1 4 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.919 0.263 19604 2418 1 4 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.872 -1.772 19604 2419 1 4 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.868 1.424 19604 2420 1 4 . 1 1 73 73 ALA H H 73 8.080 8.080 7.859 0.221 19604 2421 1 4 . 1 1 74 74 ARG N N 74 118.501 118.501 118.634 -0.133 19604 2422 1 4 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.012 0.176 19604 2423 1 4 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.590 -1.613 19604 2424 1 4 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.049 0.468 19604 2425 1 4 . 1 1 74 74 ARG H H 74 7.367 7.367 7.823 -0.456 19604 2426 1 4 . 1 1 76 76 MET HA H 76 4.413 4.413 4.189 0.224 19604 2427 1 4 . 1 1 76 76 MET CA C 76 55.804 55.804 57.297 -1.493 19604 2428 1 4 . 1 1 76 76 MET CB C 76 33.291 33.291 33.427 -0.136 19604 2429 1 4 . 1 1 77 77 LYS N N 77 121.563 121.563 116.420 5.143 19604 2430 1 4 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.369 -0.048 19604 2431 1 4 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.629 -0.211 19604 2432 1 4 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.702 -0.451 19604 2433 1 4 . 1 1 77 77 LYS H H 77 8.253 8.253 7.800 0.453 19604 2434 1 4 . 1 1 78 78 ASP N N 78 121.953 121.953 121.234 0.719 19604 2435 1 4 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.684 -0.066 19604 2436 1 4 . 1 1 78 78 ASP CA C 78 54.855 54.855 54.283 0.572 19604 2437 1 4 . 1 1 78 78 ASP CB C 78 41.116 41.116 41.196 -0.080 19604 2438 1 4 . 1 1 78 78 ASP H H 78 8.362 8.362 8.626 -0.264 19604 2439 1 4 . 1 1 79 79 THR N N 79 113.276 113.276 111.169 2.107 19604 2440 1 4 . 1 1 79 79 THR HA H 79 4.305 4.305 4.497 -0.192 19604 2441 1 4 . 1 1 79 79 THR CA C 79 62.124 62.124 61.085 1.039 19604 2442 1 4 . 1 1 79 79 THR CB C 79 69.634 69.634 71.091 -1.457 19604 2443 1 4 . 1 1 79 79 THR H H 79 8.014 8.014 7.655 0.359 19604 2444 1 4 . 1 1 80 80 ASP N N 80 122.850 122.850 118.761 4.089 19604 2445 1 4 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.609 0.066 19604 2446 1 4 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.401 -0.746 19604 2447 1 4 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.813 0.611 19604 2448 1 4 . 1 1 80 80 ASP H H 80 8.316 8.316 8.384 -0.068 19604 2449 1 4 . 1 1 81 81 SER N N 81 116.864 116.864 115.708 1.156 19604 2450 1 4 . 1 1 81 81 SER HA H 81 4.429 4.429 4.391 0.038 19604 2451 1 4 . 1 1 81 81 SER CA C 81 59.337 59.337 60.920 -1.583 19604 2452 1 4 . 1 1 81 81 SER CB C 81 63.672 63.672 63.143 0.529 19604 2453 1 4 . 1 1 81 81 SER H H 81 8.391 8.391 8.280 0.111 19604 2454 1 4 . 1 1 82 82 GLU N N 82 122.561 122.561 121.462 1.099 19604 2455 1 4 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.169 -0.096 19604 2456 1 4 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.411 -0.232 19604 2457 1 4 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.185 0.327 19604 2458 1 4 . 1 1 82 82 GLU H H 82 8.479 8.479 8.991 -0.512 19604 2459 1 4 . 1 1 83 83 GLU N N 83 119.348 119.348 119.575 -0.227 19604 2460 1 4 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.121 -0.077 19604 2461 1 4 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.483 0.164 19604 2462 1 4 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.410 0.121 19604 2463 1 4 . 1 1 83 83 GLU H H 83 8.279 8.279 8.460 -0.181 19604 2464 1 4 . 1 1 84 84 GLU N N 84 118.810 118.810 120.143 -1.333 19604 2465 1 4 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.166 -0.053 19604 2466 1 4 . 1 1 84 84 GLU CA C 84 59.477 59.477 58.825 0.652 19604 2467 1 4 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.501 0.168 19604 2468 1 4 . 1 1 84 84 GLU H H 84 8.062 8.062 7.455 0.607 19604 2469 1 4 . 1 1 85 85 ILE N N 85 122.019 122.019 120.262 1.757 19604 2470 1 4 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.922 -0.004 19604 2471 1 4 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.926 -0.599 19604 2472 1 4 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.852 -0.424 19604 2473 1 4 . 1 1 85 85 ILE H H 85 8.008 8.008 8.752 -0.744 19604 2474 1 4 . 1 1 86 86 ARG N N 86 121.851 121.851 119.129 2.722 19604 2475 1 4 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.076 0.090 19604 2476 1 4 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.916 0.110 19604 2477 1 4 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.903 0.064 19604 2478 1 4 . 1 1 86 86 ARG H H 86 8.446 8.446 8.045 0.401 19604 2479 1 4 . 1 1 87 87 GLU N N 87 118.621 118.621 119.420 -0.799 19604 2480 1 4 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.118 -0.008 19604 2481 1 4 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.018 0.089 19604 2482 1 4 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.762 -0.336 19604 2483 1 4 . 1 1 87 87 GLU H H 87 8.149 8.149 7.710 0.439 19604 2484 1 4 . 1 1 88 88 ALA N N 88 121.741 121.741 123.041 -1.300 19604 2485 1 4 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.621 0.404 19604 2486 1 4 . 1 1 88 88 ALA CA C 88 54.986 54.986 55.329 -0.343 19604 2487 1 4 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.438 -0.714 19604 2488 1 4 . 1 1 88 88 ALA H H 88 7.880 7.880 8.190 -0.310 19604 2489 1 4 . 1 1 89 89 PHE N N 89 118.057 118.057 119.325 -1.268 19604 2490 1 4 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.767 -0.618 19604 2491 1 4 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.615 0.751 19604 2492 1 4 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.069 0.268 19604 2493 1 4 . 1 1 89 89 PHE H H 89 8.463 8.463 8.711 -0.248 19604 2494 1 4 . 1 1 90 90 ARG N N 90 115.723 115.723 118.831 -3.108 19604 2495 1 4 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.886 0.006 19604 2496 1 4 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.704 0.184 19604 2497 1 4 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.001 0.405 19604 2498 1 4 . 1 1 90 90 ARG H H 90 7.775 7.775 7.453 0.322 19604 2499 1 4 . 1 1 91 91 VAL N N 91 118.161 118.161 117.143 1.018 19604 2500 1 4 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.625 -0.101 19604 2501 1 4 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.472 0.123 19604 2502 1 4 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.191 0.353 19604 2503 1 4 . 1 1 91 91 VAL H H 91 7.484 7.484 8.033 -0.549 19604 2504 1 4 . 1 1 92 92 PHE N N 92 117.398 117.398 114.403 2.995 19604 2505 1 4 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.268 0.010 19604 2506 1 4 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.817 0.864 19604 2507 1 4 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.594 1.260 19604 2508 1 4 . 1 1 92 92 PHE H H 92 7.544 7.544 7.447 0.097 19604 2509 1 4 . 1 1 93 93 ASP N N 93 117.503 117.503 119.739 -2.236 19604 2510 1 4 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.565 -0.024 19604 2511 1 4 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.904 -1.722 19604 2512 1 4 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.998 -1.571 19604 2513 1 4 . 1 1 93 93 ASP H H 93 7.963 7.963 7.562 0.401 19604 2514 1 4 . 1 1 94 94 LYS N N 94 125.976 125.976 125.102 0.874 19604 2515 1 4 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.099 -0.193 19604 2516 1 4 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.704 1.358 19604 2517 1 4 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.514 0.519 19604 2518 1 4 . 1 1 94 94 LYS H H 94 7.585 7.585 8.274 -0.689 19604 2519 1 4 . 1 1 95 95 ASP N N 95 114.100 114.100 115.588 -1.488 19604 2520 1 4 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.473 0.081 19604 2521 1 4 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.746 -0.680 19604 2522 1 4 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.281 -0.532 19604 2523 1 4 . 1 1 95 95 ASP H H 95 8.186 8.186 8.169 0.017 19604 2524 1 4 . 1 1 96 96 GLY N N 96 109.383 109.383 108.175 1.208 19604 2525 1 4 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.094 1.054 19604 2526 1 4 . 1 1 96 96 GLY H H 96 7.809 7.809 7.716 0.093 19604 2527 1 4 . 1 1 97 97 ASN N N 97 119.744 119.744 119.324 0.420 19604 2528 1 4 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.642 0.004 19604 2529 1 4 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.765 -0.110 19604 2530 1 4 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.929 -0.741 19604 2531 1 4 . 1 1 97 97 ASN H H 97 8.336 8.336 8.559 -0.223 19604 2532 1 4 . 1 1 98 98 GLY N N 98 112.937 112.937 107.516 5.421 19604 2533 1 4 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.521 -0.489 19604 2534 1 4 . 1 1 98 98 GLY H H 98 10.653 10.653 8.657 1.996 19604 2535 1 4 . 1 1 99 99 TYR N N 99 115.956 115.956 117.659 -1.703 19604 2536 1 4 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.986 0.075 19604 2537 1 4 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.624 -1.435 19604 2538 1 4 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.592 0.452 19604 2539 1 4 . 1 1 99 99 TYR H H 99 7.630 7.630 8.385 -0.755 19604 2540 1 4 . 1 1 100 100 ILE N N 100 127.360 127.360 122.938 4.422 19604 2541 1 4 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.434 0.350 19604 2542 1 4 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.404 0.615 19604 2543 1 4 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.184 -1.198 19604 2544 1 4 . 1 1 100 100 ILE H H 100 10.174 10.174 8.898 1.276 19604 2545 1 4 . 1 1 101 101 SER N N 101 124.117 124.117 122.590 1.527 19604 2546 1 4 . 1 1 101 101 SER HA H 101 4.885 4.885 4.922 -0.037 19604 2547 1 4 . 1 1 101 101 SER CA C 101 55.722 55.722 56.087 -0.365 19604 2548 1 4 . 1 1 101 101 SER CB C 101 66.631 66.631 65.972 0.659 19604 2549 1 4 . 1 1 101 101 SER H H 101 8.977 8.977 8.453 0.524 19604 2550 1 4 . 1 1 102 102 ALA N N 102 123.057 123.057 123.031 0.026 19604 2551 1 4 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.202 -0.278 19604 2552 1 4 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.104 0.850 19604 2553 1 4 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.418 -0.527 19604 2554 1 4 . 1 1 102 102 ALA H H 102 9.261 9.261 8.915 0.346 19604 2555 1 4 . 1 1 103 103 ALA N N 103 118.685 118.685 121.355 -2.670 19604 2556 1 4 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.983 0.041 19604 2557 1 4 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.807 0.412 19604 2558 1 4 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.283 0.032 19604 2559 1 4 . 1 1 103 103 ALA H H 103 8.271 8.271 8.110 0.161 19604 2560 1 4 . 1 1 104 104 GLU N N 104 119.737 119.737 118.438 1.299 19604 2561 1 4 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.075 -0.038 19604 2562 1 4 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.713 0.537 19604 2563 1 4 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.809 -0.594 19604 2564 1 4 . 1 1 104 104 GLU H H 104 7.857 7.857 7.539 0.318 19604 2565 1 4 . 1 1 105 105 LEU N N 105 122.037 122.037 121.112 0.925 19604 2566 1 4 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.910 0.126 19604 2567 1 4 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.705 0.347 19604 2568 1 4 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.877 0.237 19604 2569 1 4 . 1 1 105 105 LEU H H 105 8.685 8.685 8.116 0.569 19604 2570 1 4 . 1 1 106 106 ARG N N 106 118.484 118.484 118.033 0.451 19604 2571 1 4 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.793 -0.085 19604 2572 1 4 . 1 1 106 106 ARG CA C 106 60.030 60.030 60.004 0.026 19604 2573 1 4 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.948 0.369 19604 2574 1 4 . 1 1 106 106 ARG H H 106 8.682 8.682 8.154 0.528 19604 2575 1 4 . 1 1 107 107 HIS N N 107 118.917 118.917 118.033 0.884 19604 2576 1 4 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.386 -0.090 19604 2577 1 4 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.517 0.325 19604 2578 1 4 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.743 0.833 19604 2579 1 4 . 1 1 107 107 HIS H H 107 7.803 7.803 7.863 -0.060 19604 2580 1 4 . 1 1 108 108 VAL N N 108 119.662 119.662 119.784 -0.122 19604 2581 1 4 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.688 -0.230 19604 2582 1 4 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.978 0.474 19604 2583 1 4 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.714 -0.121 19604 2584 1 4 . 1 1 108 108 VAL H H 108 7.887 7.887 7.675 0.212 19604 2585 1 4 . 1 1 109 109 MET N N 109 115.981 115.981 118.382 -2.401 19604 2586 1 4 . 1 1 109 109 MET HA H 109 4.296 4.296 4.161 0.135 19604 2587 1 4 . 1 1 109 109 MET CA C 109 57.062 57.062 57.644 -0.582 19604 2588 1 4 . 1 1 109 109 MET H H 109 8.128 8.128 8.191 -0.063 19604 2589 1 4 . 1 1 110 110 THR N N 110 116.866 116.866 110.863 6.003 19604 2590 1 4 . 1 1 110 110 THR HA H 110 4.080 4.080 3.866 0.214 19604 2591 1 4 . 1 1 110 110 THR CA C 110 66.402 66.402 65.342 1.060 19604 2592 1 4 . 1 1 110 110 THR CB C 110 68.574 68.574 68.405 0.169 19604 2593 1 4 . 1 1 110 110 THR H H 110 8.302 8.302 8.440 -0.138 19604 2594 1 4 . 1 1 111 111 ASN N N 111 122.811 122.811 118.351 4.460 19604 2595 1 4 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.525 -0.080 19604 2596 1 4 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.796 1.015 19604 2597 1 4 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.445 -0.470 19604 2598 1 4 . 1 1 111 111 ASN H H 111 7.849 7.849 7.471 0.378 19604 2599 1 4 . 1 1 112 112 LEU N N 112 118.869 118.869 119.815 -0.946 19604 2600 1 4 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.306 0.039 19604 2601 1 4 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.744 -0.653 19604 2602 1 4 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.770 -0.690 19604 2603 1 4 . 1 1 112 112 LEU H H 112 7.666 7.666 7.642 0.024 19604 2604 1 4 . 1 1 113 113 GLY N N 113 107.124 107.124 106.590 0.534 19604 2605 1 4 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.523 0.893 19604 2606 1 4 . 1 1 113 113 GLY H H 113 7.818 7.818 7.594 0.224 19604 2607 1 4 . 1 1 114 114 GLU N N 114 120.113 120.113 121.234 -1.121 19604 2608 1 4 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.495 -0.068 19604 2609 1 4 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.114 0.482 19604 2610 1 4 . 1 1 114 114 GLU CB C 114 30.710 30.710 30.773 -0.063 19604 2611 1 4 . 1 1 114 114 GLU H H 114 7.895 7.895 7.601 0.294 19604 2612 1 4 . 1 1 115 115 LYS N N 115 124.920 124.920 125.286 -0.366 19604 2613 1 4 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.223 0.157 19604 2614 1 4 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.790 -1.397 19604 2615 1 4 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.194 -0.149 19604 2616 1 4 . 1 1 115 115 LYS H H 115 8.583 8.583 8.499 0.084 19604 2617 1 4 . 1 1 116 116 LEU N N 116 124.979 124.979 126.724 -1.745 19604 2618 1 4 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.626 0.141 19604 2619 1 4 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.795 0.286 19604 2620 1 4 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.019 -0.487 19604 2621 1 4 . 1 1 116 116 LEU H H 116 8.082 8.082 8.346 -0.264 19604 2622 1 4 . 1 1 117 117 THR N N 117 114.448 114.448 112.814 1.634 19604 2623 1 4 . 1 1 117 117 THR HA H 117 4.452 4.452 4.460 -0.008 19604 2624 1 4 . 1 1 117 117 THR CA C 117 60.690 60.690 59.892 0.798 19604 2625 1 4 . 1 1 117 117 THR CB C 117 71.051 71.051 70.640 0.411 19604 2626 1 4 . 1 1 117 117 THR H H 117 9.172 9.172 8.158 1.014 19604 2627 1 4 . 1 1 118 118 ASP N N 118 121.175 121.175 121.195 -0.020 19604 2628 1 4 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.307 -0.094 19604 2629 1 4 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.063 -0.071 19604 2630 1 4 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.424 -0.754 19604 2631 1 4 . 1 1 118 118 ASP H H 118 8.889 8.889 8.795 0.094 19604 2632 1 4 . 1 1 119 119 GLU N N 119 119.386 119.386 119.302 0.084 19604 2633 1 4 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.092 -0.004 19604 2634 1 4 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.811 1.202 19604 2635 1 4 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.427 -0.255 19604 2636 1 4 . 1 1 119 119 GLU H H 119 8.665 8.665 8.272 0.393 19604 2637 1 4 . 1 1 120 120 GLU N N 120 120.564 120.564 119.716 0.848 19604 2638 1 4 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.070 -0.088 19604 2639 1 4 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.171 0.081 19604 2640 1 4 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.319 1.441 19604 2641 1 4 . 1 1 120 120 GLU H H 120 7.715 7.715 7.452 0.263 19604 2642 1 4 . 1 1 121 121 VAL N N 121 120.955 120.955 118.787 2.168 19604 2643 1 4 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.695 -0.239 19604 2644 1 4 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.930 0.951 19604 2645 1 4 . 1 1 121 121 VAL CB C 121 31.330 31.330 30.881 0.449 19604 2646 1 4 . 1 1 121 121 VAL H H 121 8.050 8.050 7.951 0.099 19604 2647 1 4 . 1 1 122 122 ASP N N 122 120.016 120.016 120.224 -0.208 19604 2648 1 4 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.166 0.197 19604 2649 1 4 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.439 -0.725 19604 2650 1 4 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.852 -0.399 19604 2651 1 4 . 1 1 122 122 ASP H H 122 7.980 7.980 7.792 0.188 19604 2652 1 4 . 1 1 123 123 GLU N N 123 119.913 119.913 117.947 1.966 19604 2653 1 4 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.064 -0.019 19604 2654 1 4 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.930 0.375 19604 2655 1 4 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.280 -0.001 19604 2656 1 4 . 1 1 123 123 GLU H H 123 8.033 8.033 8.329 -0.296 19604 2657 1 4 . 1 1 124 124 MET N N 124 119.642 119.642 118.985 0.657 19604 2658 1 4 . 1 1 124 124 MET HA H 124 4.175 4.175 4.191 -0.016 19604 2659 1 4 . 1 1 124 124 MET CA C 124 60.420 60.420 59.218 1.202 19604 2660 1 4 . 1 1 124 124 MET CB C 124 33.408 33.408 32.847 0.561 19604 2661 1 4 . 1 1 124 124 MET H H 124 7.930 7.930 7.626 0.304 19604 2662 1 4 . 1 1 125 125 ILE N N 125 119.663 119.663 119.176 0.487 19604 2663 1 4 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.687 0.022 19604 2664 1 4 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.361 -0.022 19604 2665 1 4 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.593 -0.258 19604 2666 1 4 . 1 1 125 125 ILE H H 125 8.147 8.147 7.993 0.154 19604 2667 1 4 . 1 1 126 126 ARG N N 126 118.998 118.998 118.792 0.206 19604 2668 1 4 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.951 0.121 19604 2669 1 4 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.424 0.404 19604 2670 1 4 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.238 0.093 19604 2671 1 4 . 1 1 126 126 ARG H H 126 8.431 8.431 8.215 0.216 19604 2672 1 4 . 1 1 127 127 GLU N N 127 116.058 116.058 118.422 -2.364 19604 2673 1 4 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.179 -0.195 19604 2674 1 4 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.413 0.392 19604 2675 1 4 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.713 0.093 19604 2676 1 4 . 1 1 127 127 GLU H H 127 7.899 7.899 7.742 0.157 19604 2677 1 4 . 1 1 128 128 ALA N N 128 117.702 117.702 118.956 -1.254 19604 2678 1 4 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.196 0.257 19604 2679 1 4 . 1 1 128 128 ALA CA C 128 51.720 51.720 52.859 -1.139 19604 2680 1 4 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.509 2.877 19604 2681 1 4 . 1 1 128 128 ALA H H 128 7.222 7.222 7.400 -0.178 19604 2682 1 4 . 1 1 129 129 ASP N N 129 117.996 117.996 119.597 -1.601 19604 2683 1 4 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.743 -0.246 19604 2684 1 4 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.192 0.144 19604 2685 1 4 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.641 1.041 19604 2686 1 4 . 1 1 129 129 ASP H H 129 7.947 7.947 8.009 -0.062 19604 2687 1 4 . 1 1 130 130 ILE N N 130 128.199 128.199 124.329 3.870 19604 2688 1 4 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.864 0.044 19604 2689 1 4 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.598 -0.165 19604 2690 1 4 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.566 0.172 19604 2691 1 4 . 1 1 130 130 ILE H H 130 8.399 8.399 8.182 0.217 19604 2692 1 4 . 1 1 131 131 ASP N N 131 116.628 116.628 117.470 -0.842 19604 2693 1 4 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.503 0.010 19604 2694 1 4 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.833 -0.005 19604 2695 1 4 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.438 -0.449 19604 2696 1 4 . 1 1 131 131 ASP H H 131 8.258 8.258 7.969 0.289 19604 2697 1 4 . 1 1 132 132 GLY N N 132 108.616 108.616 108.526 0.090 19604 2698 1 4 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.025 1.502 19604 2699 1 4 . 1 1 132 132 GLY H H 132 7.559 7.559 7.676 -0.117 19604 2700 1 4 . 1 1 133 133 ASP N N 133 120.901 120.901 119.710 1.191 19604 2701 1 4 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.591 -0.113 19604 2702 1 4 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.575 0.078 19604 2703 1 4 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.383 -1.111 19604 2704 1 4 . 1 1 133 133 ASP H H 133 8.340 8.340 8.726 -0.386 19604 2705 1 4 . 1 1 134 134 GLY N N 134 112.918 112.918 108.877 4.041 19604 2706 1 4 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.961 0.907 19604 2707 1 4 . 1 1 134 134 GLY H H 134 10.366 10.366 8.756 1.610 19604 2708 1 4 . 1 1 135 135 GLN N N 135 115.297 115.297 117.687 -2.390 19604 2709 1 4 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.669 0.248 19604 2710 1 4 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.713 -1.486 19604 2711 1 4 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.185 -0.843 19604 2712 1 4 . 1 1 135 135 GLN H H 135 8.012 8.012 8.622 -0.610 19604 2713 1 4 . 1 1 136 136 VAL N N 136 125.463 125.463 122.406 3.057 19604 2714 1 4 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.013 0.205 19604 2715 1 4 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.536 1.127 19604 2716 1 4 . 1 1 136 136 VAL CB C 136 33.758 33.758 31.637 2.122 19604 2717 1 4 . 1 1 136 136 VAL H H 136 9.133 9.133 8.641 0.492 19604 2718 1 4 . 1 1 137 137 ASN N N 137 129.402 129.402 126.703 2.699 19604 2719 1 4 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.576 0.723 19604 2720 1 4 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.880 0.146 19604 2721 1 4 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.369 -1.084 19604 2722 1 4 . 1 1 137 137 ASN H H 137 9.634 9.634 8.354 1.280 19604 2723 1 4 . 1 1 138 138 TYR N N 138 118.585 118.585 122.533 -3.948 19604 2724 1 4 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.302 0.040 19604 2725 1 4 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.414 -0.897 19604 2726 1 4 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.269 -0.573 19604 2727 1 4 . 1 1 138 138 TYR H H 138 8.400 8.400 8.740 -0.340 19604 2728 1 4 . 1 1 139 139 GLU N N 139 118.692 118.692 118.806 -0.114 19604 2729 1 4 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.779 -0.161 19604 2730 1 4 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.675 0.639 19604 2731 1 4 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.146 -0.146 19604 2732 1 4 . 1 1 139 139 GLU H H 139 8.095 8.095 8.588 -0.493 19604 2733 1 4 . 1 1 140 140 GLU N N 140 119.980 119.980 119.384 0.596 19604 2734 1 4 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.079 -0.174 19604 2735 1 4 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.987 -0.455 19604 2736 1 4 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.779 -0.072 19604 2737 1 4 . 1 1 140 140 GLU H H 140 8.759 8.759 8.234 0.525 19604 2738 1 4 . 1 1 141 141 PHE N N 141 123.408 123.408 121.545 1.863 19604 2739 1 4 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.122 -0.391 19604 2740 1 4 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.551 0.432 19604 2741 1 4 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.323 0.850 19604 2742 1 4 . 1 1 141 141 PHE H H 141 8.639 8.639 8.710 -0.071 19604 2743 1 4 . 1 1 142 142 VAL N N 142 119.839 119.839 118.573 1.266 19604 2744 1 4 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.383 -0.339 19604 2745 1 4 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.787 0.330 19604 2746 1 4 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.974 0.541 19604 2747 1 4 . 1 1 142 142 VAL H H 142 8.781 8.781 8.449 0.332 19604 2748 1 4 . 1 1 143 143 GLN N N 143 118.240 118.240 118.751 -0.511 19604 2749 1 4 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.935 -0.133 19604 2750 1 4 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.691 0.126 19604 2751 1 4 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.519 -0.344 19604 2752 1 4 . 1 1 143 143 GLN H H 143 7.491 7.491 7.392 0.099 19604 2753 1 4 . 1 1 144 144 MET N N 144 116.028 116.028 119.115 -3.087 19604 2754 1 4 . 1 1 144 144 MET HA H 144 4.145 4.145 4.085 0.060 19604 2755 1 4 . 1 1 144 144 MET CA C 144 55.939 55.939 57.800 -1.861 19604 2756 1 4 . 1 1 144 144 MET CB C 144 31.345 31.345 32.460 -1.115 19604 2757 1 4 . 1 1 144 144 MET H H 144 7.176 7.176 8.090 -0.914 19604 2758 1 4 . 1 1 145 145 MET N N 145 116.272 116.272 118.263 -1.991 19604 2759 1 4 . 1 1 145 145 MET HA H 145 4.301 4.301 4.137 0.164 19604 2760 1 4 . 1 1 145 145 MET CA C 145 55.416 55.416 57.955 -2.539 19604 2761 1 4 . 1 1 145 145 MET CB C 145 32.831 32.831 33.006 -0.175 19604 2762 1 4 . 1 1 145 145 MET H H 145 7.831 7.831 7.716 0.115 19604 2763 1 4 . 1 1 146 146 THR N N 146 110.389 110.389 113.202 -2.813 19604 2764 1 4 . 1 1 146 146 THR HA H 146 4.308 4.308 4.401 -0.093 19604 2765 1 4 . 1 1 146 146 THR CA C 146 61.942 61.942 61.328 0.614 19604 2766 1 4 . 1 1 146 146 THR CB C 146 70.244 70.244 68.804 1.440 19604 2767 1 4 . 1 1 146 146 THR H H 146 7.474 7.474 7.478 -0.004 19604 2768 1 4 . 1 1 147 147 ALA N N 147 126.864 126.864 124.781 2.083 19604 2769 1 4 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.164 0.044 19604 2770 1 4 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.201 -0.203 19604 2771 1 4 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.587 -0.471 19604 2772 1 4 . 1 1 147 147 ALA H H 147 7.622 7.622 7.306 0.316 19604 2773 1 5 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.833 -0.193 19604 2774 1 5 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.081 0.532 19604 2775 1 5 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.127 0.224 19604 2776 1 5 . 1 1 3 3 GLN N N 3 120.300 120.300 118.437 1.863 19604 2777 1 5 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.448 -0.075 19604 2778 1 5 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.228 0.270 19604 2779 1 5 . 1 1 3 3 GLN CB C 3 29.778 29.778 30.048 -0.270 19604 2780 1 5 . 1 1 3 3 GLN H H 3 8.388 8.388 7.937 0.451 19604 2781 1 5 . 1 1 4 4 LEU N N 4 123.525 123.525 123.627 -0.102 19604 2782 1 5 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.583 0.104 19604 2783 1 5 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.912 -0.553 19604 2784 1 5 . 1 1 4 4 LEU CB C 4 43.653 43.653 42.454 1.199 19604 2785 1 5 . 1 1 4 4 LEU H H 4 8.299 8.299 8.469 -0.170 19604 2786 1 5 . 1 1 5 5 THR N N 5 113.299 113.299 113.200 0.099 19604 2787 1 5 . 1 1 5 5 THR HA H 5 4.476 4.476 4.457 0.019 19604 2788 1 5 . 1 1 5 5 THR CA C 5 60.463 60.463 59.821 0.643 19604 2789 1 5 . 1 1 5 5 THR CB C 5 71.250 71.250 70.936 0.314 19604 2790 1 5 . 1 1 5 5 THR H H 5 8.651 8.651 7.931 0.720 19604 2791 1 5 . 1 1 6 6 GLU N N 6 120.620 120.620 121.030 -0.410 19604 2792 1 5 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.000 -0.025 19604 2793 1 5 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.250 -0.315 19604 2794 1 5 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.584 -0.385 19604 2795 1 5 . 1 1 6 6 GLU H H 6 9.014 9.014 8.943 0.071 19604 2796 1 5 . 1 1 7 7 GLU N N 7 119.586 119.586 118.296 1.290 19604 2797 1 5 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.033 0.035 19604 2798 1 5 . 1 1 7 7 GLU CA C 7 59.943 59.943 58.801 1.142 19604 2799 1 5 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.493 -0.415 19604 2800 1 5 . 1 1 7 7 GLU H H 7 8.713 8.713 8.038 0.675 19604 2801 1 5 . 1 1 8 8 GLN N N 8 120.413 120.413 119.241 1.172 19604 2802 1 5 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.039 -0.214 19604 2803 1 5 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.623 0.152 19604 2804 1 5 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.857 0.603 19604 2805 1 5 . 1 1 8 8 GLN H H 8 7.719 7.719 7.790 -0.071 19604 2806 1 5 . 1 1 9 9 ILE N N 9 119.362 119.362 120.698 -1.336 19604 2807 1 5 . 1 1 9 9 ILE HA H 9 3.668 3.668 4.012 -0.344 19604 2808 1 5 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.032 1.203 19604 2809 1 5 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.899 -0.078 19604 2810 1 5 . 1 1 9 9 ILE H H 9 8.267 8.267 7.861 0.406 19604 2811 1 5 . 1 1 10 10 ALA N N 10 121.321 121.321 121.838 -0.517 19604 2812 1 5 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.914 0.204 19604 2813 1 5 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.975 -0.578 19604 2814 1 5 . 1 1 10 10 ALA CB C 10 17.796 17.796 18.038 -0.242 19604 2815 1 5 . 1 1 10 10 ALA H H 10 8.023 8.023 8.331 -0.308 19604 2816 1 5 . 1 1 11 11 GLU N N 11 119.865 119.865 118.569 1.296 19604 2817 1 5 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.079 0.062 19604 2818 1 5 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.894 0.517 19604 2819 1 5 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.182 0.026 19604 2820 1 5 . 1 1 11 11 GLU H H 11 7.761 7.761 7.730 0.031 19604 2821 1 5 . 1 1 12 12 PHE N N 12 119.971 119.971 119.044 0.927 19604 2822 1 5 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.342 0.681 19604 2823 1 5 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.825 -2.113 19604 2824 1 5 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.410 -0.893 19604 2825 1 5 . 1 1 12 12 PHE H H 12 8.479 8.479 7.334 1.145 19604 2826 1 5 . 1 1 13 13 LYS N N 13 123.604 123.604 119.576 4.028 19604 2827 1 5 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.049 -0.075 19604 2828 1 5 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.622 -0.666 19604 2829 1 5 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.417 -0.639 19604 2830 1 5 . 1 1 13 13 LYS H H 13 9.222 9.222 8.853 0.369 19604 2831 1 5 . 1 1 14 14 GLU N N 14 120.976 120.976 118.231 2.745 19604 2832 1 5 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.138 -0.025 19604 2833 1 5 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.153 0.409 19604 2834 1 5 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.199 0.216 19604 2835 1 5 . 1 1 14 14 GLU H H 14 7.924 7.924 7.808 0.116 19604 2836 1 5 . 1 1 15 15 ALA N N 15 122.303 122.303 122.182 0.121 19604 2837 1 5 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.181 0.143 19604 2838 1 5 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.865 0.273 19604 2839 1 5 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.260 -0.258 19604 2840 1 5 . 1 1 15 15 ALA H H 15 7.990 7.990 7.760 0.230 19604 2841 1 5 . 1 1 16 16 PHE N N 16 119.011 119.011 119.046 -0.035 19604 2842 1 5 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.485 -0.215 19604 2843 1 5 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.677 1.311 19604 2844 1 5 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.093 0.813 19604 2845 1 5 . 1 1 16 16 PHE H H 16 8.666 8.666 7.907 0.759 19604 2846 1 5 . 1 1 17 17 SER N N 17 113.988 113.988 113.993 -0.005 19604 2847 1 5 . 1 1 17 17 SER HA H 17 4.086 4.086 4.003 0.083 19604 2848 1 5 . 1 1 17 17 SER CA C 17 61.532 61.532 61.091 0.441 19604 2849 1 5 . 1 1 17 17 SER CB C 17 62.921 62.921 63.217 -0.296 19604 2850 1 5 . 1 1 17 17 SER H H 17 8.202 8.202 7.939 0.263 19604 2851 1 5 . 1 1 18 18 LEU N N 18 120.913 120.913 119.556 1.357 19604 2852 1 5 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.038 -0.088 19604 2853 1 5 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.041 0.446 19604 2854 1 5 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.919 -0.396 19604 2855 1 5 . 1 1 18 18 LEU H H 18 7.280 7.280 7.153 0.127 19604 2856 1 5 . 1 1 19 19 PHE N N 19 113.613 113.613 114.274 -0.661 19604 2857 1 5 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.230 -0.198 19604 2858 1 5 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.671 -0.265 19604 2859 1 5 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.342 2.215 19604 2860 1 5 . 1 1 19 19 PHE H H 19 7.070 7.070 7.284 -0.214 19604 2861 1 5 . 1 1 20 20 ASP N N 20 117.393 117.393 119.256 -1.863 19604 2862 1 5 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.734 -0.141 19604 2863 1 5 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.567 -1.099 19604 2864 1 5 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.159 -0.863 19604 2865 1 5 . 1 1 20 20 ASP H H 20 7.790 7.790 7.547 0.243 19604 2866 1 5 . 1 1 21 21 LYS N N 21 124.292 124.292 125.863 -1.571 19604 2867 1 5 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.019 -0.041 19604 2868 1 5 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.517 -0.197 19604 2869 1 5 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.874 -0.201 19604 2870 1 5 . 1 1 21 21 LYS H H 21 7.707 7.707 8.112 -0.405 19604 2871 1 5 . 1 1 22 22 ASP N N 22 114.139 114.139 115.595 -1.456 19604 2872 1 5 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.569 0.011 19604 2873 1 5 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.779 -0.988 19604 2874 1 5 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.644 -1.079 19604 2875 1 5 . 1 1 22 22 ASP H H 22 8.025 8.025 7.970 0.055 19604 2876 1 5 . 1 1 23 23 GLY N N 23 109.378 109.378 108.675 0.703 19604 2877 1 5 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.300 0.916 19604 2878 1 5 . 1 1 23 23 GLY H H 23 7.661 7.661 7.695 -0.034 19604 2879 1 5 . 1 1 24 24 ASP N N 24 121.022 121.022 119.399 1.623 19604 2880 1 5 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.523 -0.008 19604 2881 1 5 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.735 -0.057 19604 2882 1 5 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.583 -1.080 19604 2883 1 5 . 1 1 24 24 ASP H H 24 8.466 8.466 8.413 0.053 19604 2884 1 5 . 1 1 25 25 GLY N N 25 112.810 112.810 109.507 3.303 19604 2885 1 5 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.305 0.041 19604 2886 1 5 . 1 1 25 25 GLY H H 25 10.507 10.507 9.129 1.378 19604 2887 1 5 . 1 1 26 26 THR N N 26 112.094 112.094 111.495 0.599 19604 2888 1 5 . 1 1 26 26 THR HA H 26 5.431 5.431 5.384 0.047 19604 2889 1 5 . 1 1 26 26 THR CA C 26 59.576 59.576 60.378 -0.802 19604 2890 1 5 . 1 1 26 26 THR CB C 26 72.730 72.730 72.057 0.673 19604 2891 1 5 . 1 1 26 26 THR H H 26 8.191 8.191 8.324 -0.133 19604 2892 1 5 . 1 1 27 27 ILE N N 27 126.447 126.447 126.280 0.167 19604 2893 1 5 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.441 0.326 19604 2894 1 5 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.748 0.382 19604 2895 1 5 . 1 1 27 27 ILE CB C 27 39.988 39.988 39.240 0.748 19604 2896 1 5 . 1 1 27 27 ILE H H 27 9.845 9.845 8.831 1.014 19604 2897 1 5 . 1 1 28 28 THR N N 28 116.315 116.315 117.402 -1.087 19604 2898 1 5 . 1 1 28 28 THR HA H 28 4.894 4.894 4.941 -0.047 19604 2899 1 5 . 1 1 28 28 THR CA C 28 59.217 59.217 59.597 -0.380 19604 2900 1 5 . 1 1 28 28 THR CB C 28 72.480 72.480 71.738 0.742 19604 2901 1 5 . 1 1 28 28 THR H H 28 8.322 8.322 8.409 -0.087 19604 2902 1 5 . 1 1 29 29 THR N N 29 112.270 112.270 112.872 -0.602 19604 2903 1 5 . 1 1 29 29 THR HA H 29 3.790 3.790 4.031 -0.241 19604 2904 1 5 . 1 1 29 29 THR CA C 29 66.207 66.207 65.987 0.220 19604 2905 1 5 . 1 1 29 29 THR CB C 29 67.737 67.737 68.320 -0.583 19604 2906 1 5 . 1 1 29 29 THR H H 29 9.251 9.251 8.838 0.413 19604 2907 1 5 . 1 1 30 30 LYS N N 30 121.127 121.127 121.369 -0.242 19604 2908 1 5 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.129 -0.011 19604 2909 1 5 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.896 0.361 19604 2910 1 5 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.104 0.429 19604 2911 1 5 . 1 1 30 30 LYS H H 30 7.569 7.569 7.573 -0.004 19604 2912 1 5 . 1 1 31 31 GLU N N 31 121.876 121.876 120.054 1.822 19604 2913 1 5 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.091 -0.075 19604 2914 1 5 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.123 0.334 19604 2915 1 5 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.696 -0.145 19604 2916 1 5 . 1 1 31 31 GLU H H 31 7.715 7.715 7.613 0.102 19604 2917 1 5 . 1 1 32 32 LEU N N 32 120.674 120.674 120.965 -0.291 19604 2918 1 5 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.335 -0.141 19604 2919 1 5 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.690 0.497 19604 2920 1 5 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.544 0.612 19604 2921 1 5 . 1 1 32 32 LEU H H 32 8.592 8.592 8.727 -0.135 19604 2922 1 5 . 1 1 33 33 GLY N N 33 106.859 106.859 105.357 1.502 19604 2923 1 5 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.140 1.087 19604 2924 1 5 . 1 1 33 33 GLY H H 33 8.861 8.861 8.178 0.683 19604 2925 1 5 . 1 1 34 34 THR N N 34 118.512 118.512 119.714 -1.202 19604 2926 1 5 . 1 1 34 34 THR HA H 34 3.935 3.935 3.971 -0.036 19604 2927 1 5 . 1 1 34 34 THR CA C 34 66.964 66.964 66.781 0.183 19604 2928 1 5 . 1 1 34 34 THR CB C 34 68.610 68.610 68.893 -0.283 19604 2929 1 5 . 1 1 34 34 THR H H 34 7.965 7.965 7.646 0.319 19604 2930 1 5 . 1 1 35 35 VAL N N 35 122.456 122.456 121.708 0.748 19604 2931 1 5 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.474 0.097 19604 2932 1 5 . 1 1 35 35 VAL CA C 35 66.559 66.559 67.018 -0.459 19604 2933 1 5 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.695 -0.164 19604 2934 1 5 . 1 1 35 35 VAL H H 35 7.532 7.532 7.675 -0.143 19604 2935 1 5 . 1 1 36 36 MET N N 36 118.015 118.015 117.731 0.284 19604 2936 1 5 . 1 1 36 36 MET HA H 36 3.899 3.899 4.154 -0.255 19604 2937 1 5 . 1 1 36 36 MET CA C 36 60.156 60.156 58.864 1.292 19604 2938 1 5 . 1 1 36 36 MET CB C 36 31.731 31.731 32.527 -0.796 19604 2939 1 5 . 1 1 36 36 MET H H 36 8.525 8.525 7.735 0.790 19604 2940 1 5 . 1 1 37 37 ARG N N 37 119.604 119.604 119.217 0.387 19604 2941 1 5 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.943 0.838 19604 2942 1 5 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.373 -0.117 19604 2943 1 5 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.142 -0.529 19604 2944 1 5 . 1 1 37 37 ARG H H 37 8.579 8.579 7.755 0.824 19604 2945 1 5 . 1 1 38 38 SER N N 38 119.543 119.543 113.301 6.242 19604 2946 1 5 . 1 1 38 38 SER HA H 38 4.396 4.396 4.303 0.093 19604 2947 1 5 . 1 1 38 38 SER CA C 38 61.758 61.758 60.749 1.009 19604 2948 1 5 . 1 1 38 38 SER CB C 38 62.691 62.691 63.049 -0.358 19604 2949 1 5 . 1 1 38 38 SER H H 38 7.939 7.939 7.722 0.217 19604 2950 1 5 . 1 1 39 39 LEU N N 39 120.454 120.454 120.825 -0.371 19604 2951 1 5 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.337 0.104 19604 2952 1 5 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.330 -0.714 19604 2953 1 5 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.511 -0.381 19604 2954 1 5 . 1 1 39 39 LEU H H 39 7.394 7.394 7.470 -0.076 19604 2955 1 5 . 1 1 40 40 GLY N N 40 107.378 107.378 106.161 1.217 19604 2956 1 5 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.577 1.038 19604 2957 1 5 . 1 1 40 40 GLY H H 40 7.897 7.897 7.667 0.230 19604 2958 1 5 . 1 1 41 41 GLN N N 41 118.330 118.330 119.741 -1.411 19604 2959 1 5 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.555 -0.054 19604 2960 1 5 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.568 -0.250 19604 2961 1 5 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.594 -1.100 19604 2962 1 5 . 1 1 41 41 GLN H H 41 7.883 7.883 7.758 0.125 19604 2963 1 5 . 1 1 42 42 ASN N N 42 116.488 116.488 123.672 -7.184 19604 2964 1 5 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.036 0.176 19604 2965 1 5 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.549 1.579 19604 2966 1 5 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.596 0.575 19604 2967 1 5 . 1 1 42 42 ASN H H 42 8.697 8.697 8.623 0.074 19604 2968 1 5 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.782 0.002 19604 2969 1 5 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.749 -0.427 19604 2970 1 5 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.687 -0.409 19604 2971 1 5 . 1 1 44 44 THR N N 44 112.452 112.452 110.730 1.722 19604 2972 1 5 . 1 1 44 44 THR HA H 44 4.461 4.461 4.527 -0.066 19604 2973 1 5 . 1 1 44 44 THR CA C 44 60.411 60.411 59.918 0.493 19604 2974 1 5 . 1 1 44 44 THR CB C 44 71.068 71.068 71.777 -0.709 19604 2975 1 5 . 1 1 44 44 THR H H 44 8.678 8.678 8.070 0.608 19604 2976 1 5 . 1 1 45 45 GLU N N 45 120.954 120.954 123.594 -2.640 19604 2977 1 5 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.864 0.146 19604 2978 1 5 . 1 1 45 45 GLU CA C 45 59.883 59.883 59.736 0.147 19604 2979 1 5 . 1 1 45 45 GLU H H 45 8.803 8.803 8.993 -0.190 19604 2980 1 5 . 1 1 46 46 ALA N N 46 120.643 120.643 121.667 -1.024 19604 2981 1 5 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.155 -0.038 19604 2982 1 5 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.376 0.638 19604 2983 1 5 . 1 1 46 46 ALA CB C 46 18.173 18.173 17.906 0.267 19604 2984 1 5 . 1 1 46 46 ALA H H 46 8.272 8.272 8.225 0.047 19604 2985 1 5 . 1 1 47 47 GLU N N 47 119.059 119.059 120.385 -1.326 19604 2986 1 5 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.042 -0.007 19604 2987 1 5 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.142 0.021 19604 2988 1 5 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.747 0.179 19604 2989 1 5 . 1 1 47 47 GLU H H 47 7.686 7.686 7.738 -0.052 19604 2990 1 5 . 1 1 48 48 LEU N N 48 119.848 119.848 120.574 -0.726 19604 2991 1 5 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.988 0.037 19604 2992 1 5 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.252 -0.411 19604 2993 1 5 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.957 0.473 19604 2994 1 5 . 1 1 48 48 LEU H H 48 8.036 8.036 8.700 -0.664 19604 2995 1 5 . 1 1 49 49 GLN N N 49 118.226 118.226 116.967 1.259 19604 2996 1 5 . 1 1 49 49 GLN HA H 49 3.803 3.803 4.022 -0.219 19604 2997 1 5 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.048 0.513 19604 2998 1 5 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.875 0.367 19604 2999 1 5 . 1 1 49 49 GLN H H 49 8.323 8.323 7.659 0.664 19604 3000 1 5 . 1 1 50 50 ASP N N 50 119.928 119.928 121.657 -1.729 19604 3001 1 5 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.275 0.123 19604 3002 1 5 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.242 0.367 19604 3003 1 5 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.610 0.023 19604 3004 1 5 . 1 1 50 50 ASP H H 50 8.147 8.147 7.909 0.238 19604 3005 1 5 . 1 1 51 51 MET N N 51 117.796 117.796 115.871 1.925 19604 3006 1 5 . 1 1 51 51 MET HA H 51 4.050 4.050 4.283 -0.233 19604 3007 1 5 . 1 1 51 51 MET CA C 51 59.555 59.555 58.734 0.821 19604 3008 1 5 . 1 1 51 51 MET CB C 51 32.846 32.846 32.559 0.287 19604 3009 1 5 . 1 1 51 51 MET H H 51 7.814 7.814 7.514 0.300 19604 3010 1 5 . 1 1 52 52 ILE N N 52 118.474 118.474 121.366 -2.892 19604 3011 1 5 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.475 0.124 19604 3012 1 5 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.542 -1.436 19604 3013 1 5 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.616 -0.557 19604 3014 1 5 . 1 1 52 52 ILE H H 52 7.685 7.685 7.494 0.191 19604 3015 1 5 . 1 1 53 53 ASN N N 53 118.591 118.591 116.267 2.324 19604 3016 1 5 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.375 0.042 19604 3017 1 5 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.944 -0.039 19604 3018 1 5 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.350 -0.359 19604 3019 1 5 . 1 1 53 53 ASN H H 53 8.786 8.786 8.384 0.402 19604 3020 1 5 . 1 1 54 54 GLU N N 54 115.327 115.327 118.203 -2.876 19604 3021 1 5 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.052 -0.004 19604 3022 1 5 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.745 0.332 19604 3023 1 5 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.091 0.834 19604 3024 1 5 . 1 1 54 54 GLU H H 54 7.368 7.368 7.458 -0.090 19604 3025 1 5 . 1 1 55 55 VAL N N 55 111.285 111.285 110.961 0.324 19604 3026 1 5 . 1 1 55 55 VAL HA H 55 4.227 4.227 3.946 0.281 19604 3027 1 5 . 1 1 55 55 VAL CA C 55 60.832 60.832 62.991 -2.159 19604 3028 1 5 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.782 1.534 19604 3029 1 5 . 1 1 55 55 VAL H H 55 7.133 7.133 7.284 -0.150 19604 3030 1 5 . 1 1 56 56 ASP N N 56 121.291 121.291 121.595 -0.304 19604 3031 1 5 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.831 -0.363 19604 3032 1 5 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.288 -0.588 19604 3033 1 5 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.137 0.446 19604 3034 1 5 . 1 1 56 56 ASP H H 56 7.567 7.567 7.742 -0.175 19604 3035 1 5 . 1 1 57 57 ALA N N 57 131.432 131.432 130.029 1.403 19604 3036 1 5 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.186 0.043 19604 3037 1 5 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.727 0.628 19604 3038 1 5 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.953 -0.259 19604 3039 1 5 . 1 1 57 57 ALA H H 57 8.064 8.064 8.690 -0.626 19604 3040 1 5 . 1 1 58 58 ASP N N 58 114.063 114.063 116.385 -2.322 19604 3041 1 5 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.587 0.050 19604 3042 1 5 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.569 -0.801 19604 3043 1 5 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.738 -0.890 19604 3044 1 5 . 1 1 58 58 ASP H H 58 8.211 8.211 8.113 0.098 19604 3045 1 5 . 1 1 59 59 GLY N N 59 108.646 108.646 109.449 -0.803 19604 3046 1 5 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.928 1.272 19604 3047 1 5 . 1 1 59 59 GLY H H 59 7.584 7.584 7.970 -0.386 19604 3048 1 5 . 1 1 60 60 ASN N N 60 118.886 118.886 119.090 -0.204 19604 3049 1 5 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.744 -0.124 19604 3050 1 5 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.346 0.331 19604 3051 1 5 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.786 -2.207 19604 3052 1 5 . 1 1 60 60 ASN H H 60 8.162 8.162 8.613 -0.451 19604 3053 1 5 . 1 1 61 61 GLY N N 61 113.458 113.458 110.068 3.390 19604 3054 1 5 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.398 0.241 19604 3055 1 5 . 1 1 61 61 GLY H H 61 10.568 10.568 9.282 1.286 19604 3056 1 5 . 1 1 62 62 THR N N 62 108.490 108.490 110.352 -1.862 19604 3057 1 5 . 1 1 62 62 THR HA H 62 4.800 4.800 5.068 -0.268 19604 3058 1 5 . 1 1 62 62 THR CA C 62 59.327 59.327 60.062 -0.735 19604 3059 1 5 . 1 1 62 62 THR CB C 62 72.409 72.409 72.286 0.123 19604 3060 1 5 . 1 1 62 62 THR H H 62 7.643 7.643 8.345 -0.702 19604 3061 1 5 . 1 1 63 63 ILE N N 63 123.350 123.350 122.801 0.549 19604 3062 1 5 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.746 0.468 19604 3063 1 5 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.372 -1.321 19604 3064 1 5 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.828 0.777 19604 3065 1 5 . 1 1 63 63 ILE H H 63 8.544 8.544 8.435 0.109 19604 3066 1 5 . 1 1 64 64 ASP N N 64 128.480 128.480 128.675 -0.195 19604 3067 1 5 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.158 0.349 19604 3068 1 5 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.547 -1.562 19604 3069 1 5 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.478 0.725 19604 3070 1 5 . 1 1 64 64 ASP H H 64 8.902 8.902 8.184 0.718 19604 3071 1 5 . 1 1 65 65 PHE N N 65 118.622 118.622 120.375 -1.753 19604 3072 1 5 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.324 0.655 19604 3073 1 5 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.498 1.587 19604 3074 1 5 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.517 -0.615 19604 3075 1 5 . 1 1 65 65 PHE H H 65 8.967 8.967 8.777 0.190 19604 3076 1 5 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.634 0.254 19604 3077 1 5 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.823 2.026 19604 3078 1 5 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.680 0.119 19604 3079 1 5 . 1 1 67 67 GLU N N 67 118.243 118.243 118.659 -0.416 19604 3080 1 5 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.916 0.049 19604 3081 1 5 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.673 -0.628 19604 3082 1 5 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.907 0.967 19604 3083 1 5 . 1 1 67 67 GLU H H 67 8.420 8.420 8.193 0.227 19604 3084 1 5 . 1 1 68 68 PHE N N 68 124.020 124.020 119.406 4.614 19604 3085 1 5 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.299 -0.514 19604 3086 1 5 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.686 0.801 19604 3087 1 5 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.532 1.250 19604 3088 1 5 . 1 1 68 68 PHE H H 68 8.638 8.638 7.470 1.168 19604 3089 1 5 . 1 1 69 69 LEU N N 69 120.062 120.062 120.575 -0.513 19604 3090 1 5 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.973 -0.605 19604 3091 1 5 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.734 0.120 19604 3092 1 5 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.385 -0.000 19604 3093 1 5 . 1 1 69 69 LEU H H 69 8.972 8.972 7.358 1.614 19604 3094 1 5 . 1 1 70 70 THR N N 70 115.488 115.488 114.304 1.184 19604 3095 1 5 . 1 1 70 70 THR HA H 70 3.697 3.697 3.757 -0.060 19604 3096 1 5 . 1 1 70 70 THR CA C 70 66.558 66.558 66.169 0.389 19604 3097 1 5 . 1 1 70 70 THR CB C 70 68.396 68.396 68.459 -0.063 19604 3098 1 5 . 1 1 70 70 THR H H 70 7.855 7.855 8.203 -0.348 19604 3099 1 5 . 1 1 71 71 MET N N 71 119.627 119.627 120.253 -0.626 19604 3100 1 5 . 1 1 71 71 MET HA H 71 3.757 3.757 4.027 -0.270 19604 3101 1 5 . 1 1 71 71 MET CA C 71 58.334 58.334 59.073 -0.739 19604 3102 1 5 . 1 1 71 71 MET CB C 71 30.736 30.736 32.130 -1.394 19604 3103 1 5 . 1 1 71 71 MET H H 71 7.155 7.155 7.272 -0.117 19604 3104 1 5 . 1 1 72 72 MET N N 72 116.046 116.046 116.974 -0.928 19604 3105 1 5 . 1 1 72 72 MET HA H 72 3.977 3.977 4.025 -0.048 19604 3106 1 5 . 1 1 72 72 MET CA C 72 55.138 55.138 58.322 -3.184 19604 3107 1 5 . 1 1 72 72 MET CB C 72 29.103 29.103 32.195 -3.092 19604 3108 1 5 . 1 1 72 72 MET H H 72 7.646 7.646 7.440 0.206 19604 3109 1 5 . 1 1 73 73 ALA N N 73 120.685 120.685 119.455 1.230 19604 3110 1 5 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.993 0.189 19604 3111 1 5 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.257 -1.157 19604 3112 1 5 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.212 1.080 19604 3113 1 5 . 1 1 73 73 ALA H H 73 8.080 8.080 7.596 0.484 19604 3114 1 5 . 1 1 74 74 ARG N N 74 118.501 118.501 118.733 -0.232 19604 3115 1 5 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.031 0.157 19604 3116 1 5 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.366 -1.389 19604 3117 1 5 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.058 0.459 19604 3118 1 5 . 1 1 74 74 ARG H H 74 7.367 7.367 7.953 -0.586 19604 3119 1 5 . 1 1 76 76 MET HA H 76 4.413 4.413 4.211 0.202 19604 3120 1 5 . 1 1 76 76 MET CA C 76 55.804 55.804 57.689 -1.885 19604 3121 1 5 . 1 1 76 76 MET CB C 76 33.291 33.291 33.207 0.084 19604 3122 1 5 . 1 1 77 77 LYS N N 77 121.563 121.563 115.000 6.563 19604 3123 1 5 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.357 -0.036 19604 3124 1 5 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.735 0.683 19604 3125 1 5 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.377 -1.125 19604 3126 1 5 . 1 1 77 77 LYS H H 77 8.253 8.253 7.623 0.630 19604 3127 1 5 . 1 1 78 78 ASP N N 78 121.953 121.953 116.386 5.567 19604 3128 1 5 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.353 0.265 19604 3129 1 5 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.318 -0.463 19604 3130 1 5 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.504 0.612 19604 3131 1 5 . 1 1 78 78 ASP H H 78 8.362 8.362 8.757 -0.395 19604 3132 1 5 . 1 1 79 79 THR N N 79 113.276 113.276 110.937 2.339 19604 3133 1 5 . 1 1 79 79 THR HA H 79 4.305 4.305 4.570 -0.265 19604 3134 1 5 . 1 1 79 79 THR CA C 79 62.124 62.124 62.961 -0.837 19604 3135 1 5 . 1 1 79 79 THR CB C 79 69.634 69.634 69.478 0.156 19604 3136 1 5 . 1 1 79 79 THR H H 79 8.014 8.014 8.029 -0.015 19604 3137 1 5 . 1 1 80 80 ASP N N 80 122.850 122.850 120.181 2.669 19604 3138 1 5 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.792 -0.117 19604 3139 1 5 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.503 0.152 19604 3140 1 5 . 1 1 80 80 ASP CB C 80 41.424 41.424 39.952 1.472 19604 3141 1 5 . 1 1 80 80 ASP H H 80 8.316 8.316 8.202 0.114 19604 3142 1 5 . 1 1 81 81 SER N N 81 116.864 116.864 114.971 1.893 19604 3143 1 5 . 1 1 81 81 SER HA H 81 4.429 4.429 4.158 0.271 19604 3144 1 5 . 1 1 81 81 SER CA C 81 59.337 59.337 61.110 -1.773 19604 3145 1 5 . 1 1 81 81 SER CB C 81 63.672 63.672 62.916 0.756 19604 3146 1 5 . 1 1 81 81 SER H H 81 8.391 8.391 8.428 -0.037 19604 3147 1 5 . 1 1 82 82 GLU N N 82 122.561 122.561 119.722 2.839 19604 3148 1 5 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.211 -0.138 19604 3149 1 5 . 1 1 82 82 GLU CA C 82 59.179 59.179 57.746 1.433 19604 3150 1 5 . 1 1 82 82 GLU CB C 82 29.512 29.512 28.963 0.549 19604 3151 1 5 . 1 1 82 82 GLU H H 82 8.479 8.479 8.583 -0.104 19604 3152 1 5 . 1 1 83 83 GLU N N 83 119.348 119.348 121.820 -2.472 19604 3153 1 5 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.089 -0.045 19604 3154 1 5 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.863 -0.216 19604 3155 1 5 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.252 0.279 19604 3156 1 5 . 1 1 83 83 GLU H H 83 8.279 8.279 8.309 -0.030 19604 3157 1 5 . 1 1 84 84 GLU N N 84 118.810 118.810 118.550 0.260 19604 3158 1 5 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.111 0.002 19604 3159 1 5 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.869 -0.392 19604 3160 1 5 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.506 0.163 19604 3161 1 5 . 1 1 84 84 GLU H H 84 8.062 8.062 8.371 -0.309 19604 3162 1 5 . 1 1 85 85 ILE N N 85 122.019 122.019 118.780 3.239 19604 3163 1 5 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.094 -0.176 19604 3164 1 5 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.465 -0.137 19604 3165 1 5 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.626 -0.198 19604 3166 1 5 . 1 1 85 85 ILE H H 85 8.008 8.008 7.835 0.173 19604 3167 1 5 . 1 1 86 86 ARG N N 86 121.851 121.851 119.874 1.977 19604 3168 1 5 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.257 -0.091 19604 3169 1 5 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.183 0.843 19604 3170 1 5 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.243 0.724 19604 3171 1 5 . 1 1 86 86 ARG H H 86 8.446 8.446 8.151 0.295 19604 3172 1 5 . 1 1 87 87 GLU N N 87 118.621 118.621 119.168 -0.547 19604 3173 1 5 . 1 1 87 87 GLU HA H 87 4.110 4.110 3.986 0.124 19604 3174 1 5 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.482 -0.375 19604 3175 1 5 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.629 -0.203 19604 3176 1 5 . 1 1 87 87 GLU H H 87 8.149 8.149 8.498 -0.349 19604 3177 1 5 . 1 1 88 88 ALA N N 88 121.741 121.741 121.358 0.383 19604 3178 1 5 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.769 0.256 19604 3179 1 5 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.927 0.059 19604 3180 1 5 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.091 -0.367 19604 3181 1 5 . 1 1 88 88 ALA H H 88 7.880 7.880 8.046 -0.166 19604 3182 1 5 . 1 1 89 89 PHE N N 89 118.057 118.057 118.321 -0.264 19604 3183 1 5 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.860 -0.711 19604 3184 1 5 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.342 1.024 19604 3185 1 5 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.091 0.246 19604 3186 1 5 . 1 1 89 89 PHE H H 89 8.463 8.463 7.411 1.052 19604 3187 1 5 . 1 1 90 90 ARG N N 90 115.723 115.723 119.251 -3.528 19604 3188 1 5 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.987 -0.095 19604 3189 1 5 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.733 0.155 19604 3190 1 5 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.723 0.683 19604 3191 1 5 . 1 1 90 90 ARG H H 90 7.775 7.775 7.470 0.305 19604 3192 1 5 . 1 1 91 91 VAL N N 91 118.161 118.161 117.137 1.024 19604 3193 1 5 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.586 -0.062 19604 3194 1 5 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.205 0.391 19604 3195 1 5 . 1 1 91 91 VAL CB C 91 31.544 31.544 30.788 0.756 19604 3196 1 5 . 1 1 91 91 VAL H H 91 7.484 7.484 7.385 0.099 19604 3197 1 5 . 1 1 92 92 PHE N N 92 117.398 117.398 114.460 2.938 19604 3198 1 5 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.355 -0.077 19604 3199 1 5 . 1 1 92 92 PHE CA C 92 58.681 58.681 56.619 2.062 19604 3200 1 5 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.777 1.077 19604 3201 1 5 . 1 1 92 92 PHE H H 92 7.544 7.544 6.987 0.557 19604 3202 1 5 . 1 1 93 93 ASP N N 93 117.503 117.503 120.547 -3.044 19604 3203 1 5 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.791 -0.250 19604 3204 1 5 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.005 -0.824 19604 3205 1 5 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.564 -1.137 19604 3206 1 5 . 1 1 93 93 ASP H H 93 7.963 7.963 7.761 0.202 19604 3207 1 5 . 1 1 94 94 LYS N N 94 125.976 125.976 123.492 2.484 19604 3208 1 5 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.137 -0.231 19604 3209 1 5 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.860 1.202 19604 3210 1 5 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.760 0.273 19604 3211 1 5 . 1 1 94 94 LYS H H 94 7.585 7.585 8.019 -0.434 19604 3212 1 5 . 1 1 95 95 ASP N N 95 114.100 114.100 116.087 -1.987 19604 3213 1 5 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.533 0.021 19604 3214 1 5 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.989 -0.923 19604 3215 1 5 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.363 -0.614 19604 3216 1 5 . 1 1 95 95 ASP H H 95 8.186 8.186 7.906 0.280 19604 3217 1 5 . 1 1 96 96 GLY N N 96 109.383 109.383 107.447 1.936 19604 3218 1 5 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.120 1.028 19604 3219 1 5 . 1 1 96 96 GLY H H 96 7.809 7.809 7.846 -0.037 19604 3220 1 5 . 1 1 97 97 ASN N N 97 119.744 119.744 119.385 0.359 19604 3221 1 5 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.685 -0.039 19604 3222 1 5 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.880 -0.225 19604 3223 1 5 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.941 -0.752 19604 3224 1 5 . 1 1 97 97 ASN H H 97 8.336 8.336 8.639 -0.303 19604 3225 1 5 . 1 1 98 98 GLY N N 98 112.937 112.937 107.930 5.007 19604 3226 1 5 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.780 -0.748 19604 3227 1 5 . 1 1 98 98 GLY H H 98 10.653 10.653 8.734 1.919 19604 3228 1 5 . 1 1 99 99 TYR N N 99 115.956 115.956 117.691 -1.735 19604 3229 1 5 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.058 0.003 19604 3230 1 5 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.649 -1.460 19604 3231 1 5 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.399 0.645 19604 3232 1 5 . 1 1 99 99 TYR H H 99 7.630 7.630 8.559 -0.929 19604 3233 1 5 . 1 1 100 100 ILE N N 100 127.360 127.360 124.349 3.011 19604 3234 1 5 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.595 0.189 19604 3235 1 5 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.447 0.572 19604 3236 1 5 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.395 -0.410 19604 3237 1 5 . 1 1 100 100 ILE H H 100 10.174 10.174 8.894 1.280 19604 3238 1 5 . 1 1 101 101 SER N N 101 124.117 124.117 123.065 1.052 19604 3239 1 5 . 1 1 101 101 SER HA H 101 4.885 4.885 4.886 -0.001 19604 3240 1 5 . 1 1 101 101 SER CA C 101 55.722 55.722 56.090 -0.367 19604 3241 1 5 . 1 1 101 101 SER CB C 101 66.631 66.631 65.891 0.740 19604 3242 1 5 . 1 1 101 101 SER H H 101 8.977 8.977 8.520 0.457 19604 3243 1 5 . 1 1 102 102 ALA N N 102 123.057 123.057 122.699 0.358 19604 3244 1 5 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.206 -0.282 19604 3245 1 5 . 1 1 102 102 ALA CA C 102 55.954 55.954 54.563 1.391 19604 3246 1 5 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.460 -0.569 19604 3247 1 5 . 1 1 102 102 ALA H H 102 9.261 9.261 8.897 0.364 19604 3248 1 5 . 1 1 103 103 ALA N N 103 118.685 118.685 121.298 -2.613 19604 3249 1 5 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.021 0.003 19604 3250 1 5 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.694 0.525 19604 3251 1 5 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.521 -0.206 19604 3252 1 5 . 1 1 103 103 ALA H H 103 8.271 8.271 7.657 0.614 19604 3253 1 5 . 1 1 104 104 GLU N N 104 119.737 119.737 119.048 0.689 19604 3254 1 5 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.102 -0.065 19604 3255 1 5 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.033 0.217 19604 3256 1 5 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.745 -0.529 19604 3257 1 5 . 1 1 104 104 GLU H H 104 7.857 7.857 7.565 0.292 19604 3258 1 5 . 1 1 105 105 LEU N N 105 122.037 122.037 120.173 1.864 19604 3259 1 5 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.875 0.161 19604 3260 1 5 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.699 0.353 19604 3261 1 5 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.842 0.272 19604 3262 1 5 . 1 1 105 105 LEU H H 105 8.685 8.685 7.880 0.805 19604 3263 1 5 . 1 1 106 106 ARG N N 106 118.484 118.484 118.241 0.243 19604 3264 1 5 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.895 -0.187 19604 3265 1 5 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.673 0.357 19604 3266 1 5 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.983 0.334 19604 3267 1 5 . 1 1 106 106 ARG H H 106 8.682 8.682 7.539 1.143 19604 3268 1 5 . 1 1 107 107 HIS N N 107 118.917 118.917 118.988 -0.071 19604 3269 1 5 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.332 -0.036 19604 3270 1 5 . 1 1 107 107 HIS CA C 107 59.842 59.842 58.760 1.082 19604 3271 1 5 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.335 1.241 19604 3272 1 5 . 1 1 107 107 HIS H H 107 7.803 7.803 7.614 0.189 19604 3273 1 5 . 1 1 108 108 VAL N N 108 119.662 119.662 118.695 0.967 19604 3274 1 5 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.617 -0.159 19604 3275 1 5 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.444 0.008 19604 3276 1 5 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.348 0.245 19604 3277 1 5 . 1 1 108 108 VAL H H 108 7.887 7.887 7.609 0.278 19604 3278 1 5 . 1 1 109 109 MET N N 109 115.981 115.981 117.998 -2.017 19604 3279 1 5 . 1 1 109 109 MET HA H 109 4.296 4.296 4.274 0.022 19604 3280 1 5 . 1 1 109 109 MET CA C 109 57.062 57.062 57.892 -0.830 19604 3281 1 5 . 1 1 109 109 MET H H 109 8.128 8.128 7.347 0.781 19604 3282 1 5 . 1 1 110 110 THR N N 110 116.866 116.866 114.134 2.732 19604 3283 1 5 . 1 1 110 110 THR HA H 110 4.080 4.080 3.964 0.116 19604 3284 1 5 . 1 1 110 110 THR CA C 110 66.402 66.402 66.401 0.001 19604 3285 1 5 . 1 1 110 110 THR CB C 110 68.574 68.574 68.596 -0.022 19604 3286 1 5 . 1 1 110 110 THR H H 110 8.302 8.302 8.364 -0.062 19604 3287 1 5 . 1 1 111 111 ASN N N 111 122.811 122.811 118.639 4.172 19604 3288 1 5 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.612 -0.167 19604 3289 1 5 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.075 0.736 19604 3290 1 5 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.262 -0.287 19604 3291 1 5 . 1 1 111 111 ASN H H 111 7.849 7.849 7.618 0.231 19604 3292 1 5 . 1 1 112 112 LEU N N 112 118.869 118.869 118.770 0.099 19604 3293 1 5 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.268 0.077 19604 3294 1 5 . 1 1 112 112 LEU CA C 112 55.091 55.091 56.229 -1.138 19604 3295 1 5 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.641 -0.561 19604 3296 1 5 . 1 1 112 112 LEU H H 112 7.666 7.666 7.554 0.112 19604 3297 1 5 . 1 1 113 113 GLY N N 113 107.124 107.124 106.034 1.090 19604 3298 1 5 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.500 0.916 19604 3299 1 5 . 1 1 113 113 GLY H H 113 7.818 7.818 7.680 0.138 19604 3300 1 5 . 1 1 114 114 GLU N N 114 120.113 120.113 121.068 -0.955 19604 3301 1 5 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.590 -0.163 19604 3302 1 5 . 1 1 114 114 GLU CA C 114 54.596 54.596 55.019 -0.423 19604 3303 1 5 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.957 -1.247 19604 3304 1 5 . 1 1 114 114 GLU H H 114 7.895 7.895 8.303 -0.408 19604 3305 1 5 . 1 1 115 115 LYS N N 115 124.920 124.920 123.336 1.584 19604 3306 1 5 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.252 0.128 19604 3307 1 5 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.669 -1.276 19604 3308 1 5 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.380 -0.335 19604 3309 1 5 . 1 1 115 115 LYS H H 115 8.583 8.583 8.416 0.167 19604 3310 1 5 . 1 1 116 116 LEU N N 116 124.979 124.979 124.509 0.470 19604 3311 1 5 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.755 0.012 19604 3312 1 5 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.404 0.677 19604 3313 1 5 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.502 -0.970 19604 3314 1 5 . 1 1 116 116 LEU H H 116 8.082 8.082 8.367 -0.285 19604 3315 1 5 . 1 1 117 117 THR N N 117 114.448 114.448 110.771 3.677 19604 3316 1 5 . 1 1 117 117 THR HA H 117 4.452 4.452 4.591 -0.139 19604 3317 1 5 . 1 1 117 117 THR CA C 117 60.690 60.690 59.937 0.753 19604 3318 1 5 . 1 1 117 117 THR CB C 117 71.051 71.051 71.671 -0.620 19604 3319 1 5 . 1 1 117 117 THR H H 117 9.172 9.172 8.048 1.124 19604 3320 1 5 . 1 1 118 118 ASP N N 118 121.175 121.175 120.791 0.384 19604 3321 1 5 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.340 -0.127 19604 3322 1 5 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.742 -0.750 19604 3323 1 5 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.754 -1.084 19604 3324 1 5 . 1 1 118 118 ASP H H 118 8.889 8.889 8.783 0.106 19604 3325 1 5 . 1 1 119 119 GLU N N 119 119.386 119.386 118.898 0.488 19604 3326 1 5 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.074 0.014 19604 3327 1 5 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.713 1.300 19604 3328 1 5 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.783 -0.611 19604 3329 1 5 . 1 1 119 119 GLU H H 119 8.665 8.665 8.013 0.652 19604 3330 1 5 . 1 1 120 120 GLU N N 120 120.564 120.564 120.071 0.493 19604 3331 1 5 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.102 -0.120 19604 3332 1 5 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.052 0.200 19604 3333 1 5 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.540 1.220 19604 3334 1 5 . 1 1 120 120 GLU H H 120 7.715 7.715 7.492 0.223 19604 3335 1 5 . 1 1 121 121 VAL N N 121 120.955 120.955 119.778 1.177 19604 3336 1 5 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.624 -0.168 19604 3337 1 5 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.722 1.159 19604 3338 1 5 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.074 0.256 19604 3339 1 5 . 1 1 121 121 VAL H H 121 8.050 8.050 8.399 -0.349 19604 3340 1 5 . 1 1 122 122 ASP N N 122 120.016 120.016 119.741 0.275 19604 3341 1 5 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.227 0.136 19604 3342 1 5 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.807 -0.093 19604 3343 1 5 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.804 -0.351 19604 3344 1 5 . 1 1 122 122 ASP H H 122 7.980 7.980 7.705 0.275 19604 3345 1 5 . 1 1 123 123 GLU N N 123 119.913 119.913 118.755 1.158 19604 3346 1 5 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.021 0.024 19604 3347 1 5 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.104 0.201 19604 3348 1 5 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.597 -0.318 19604 3349 1 5 . 1 1 123 123 GLU H H 123 8.033 8.033 7.850 0.183 19604 3350 1 5 . 1 1 124 124 MET N N 124 119.642 119.642 118.437 1.205 19604 3351 1 5 . 1 1 124 124 MET HA H 124 4.175 4.175 4.163 0.012 19604 3352 1 5 . 1 1 124 124 MET CA C 124 60.420 60.420 59.138 1.282 19604 3353 1 5 . 1 1 124 124 MET CB C 124 33.408 33.408 32.912 0.496 19604 3354 1 5 . 1 1 124 124 MET H H 124 7.930 7.930 7.748 0.182 19604 3355 1 5 . 1 1 125 125 ILE N N 125 119.663 119.663 119.386 0.277 19604 3356 1 5 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.719 -0.010 19604 3357 1 5 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.175 0.164 19604 3358 1 5 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.502 -0.167 19604 3359 1 5 . 1 1 125 125 ILE H H 125 8.147 8.147 8.056 0.091 19604 3360 1 5 . 1 1 126 126 ARG N N 126 118.998 118.998 118.744 0.254 19604 3361 1 5 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.947 0.125 19604 3362 1 5 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.480 0.347 19604 3363 1 5 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.247 0.084 19604 3364 1 5 . 1 1 126 126 ARG H H 126 8.431 8.431 8.303 0.128 19604 3365 1 5 . 1 1 127 127 GLU N N 127 116.058 116.058 118.626 -2.568 19604 3366 1 5 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.178 -0.194 19604 3367 1 5 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.410 0.395 19604 3368 1 5 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.742 0.064 19604 3369 1 5 . 1 1 127 127 GLU H H 127 7.899 7.899 7.689 0.210 19604 3370 1 5 . 1 1 128 128 ALA N N 128 117.702 117.702 119.710 -2.008 19604 3371 1 5 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.133 0.320 19604 3372 1 5 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.505 -1.785 19604 3373 1 5 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.238 3.148 19604 3374 1 5 . 1 1 128 128 ALA H H 128 7.222 7.222 7.521 -0.299 19604 3375 1 5 . 1 1 129 129 ASP N N 129 117.996 117.996 119.445 -1.449 19604 3376 1 5 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.801 -0.304 19604 3377 1 5 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.041 0.295 19604 3378 1 5 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.653 1.029 19604 3379 1 5 . 1 1 129 129 ASP H H 129 7.947 7.947 8.049 -0.102 19604 3380 1 5 . 1 1 130 130 ILE N N 130 128.199 128.199 124.176 4.023 19604 3381 1 5 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.865 0.043 19604 3382 1 5 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.517 -0.084 19604 3383 1 5 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.557 0.181 19604 3384 1 5 . 1 1 130 130 ILE H H 130 8.399 8.399 8.171 0.228 19604 3385 1 5 . 1 1 131 131 ASP N N 131 116.628 116.628 117.562 -0.934 19604 3386 1 5 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.505 0.008 19604 3387 1 5 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.783 0.045 19604 3388 1 5 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.403 -0.414 19604 3389 1 5 . 1 1 131 131 ASP H H 131 8.258 8.258 7.955 0.303 19604 3390 1 5 . 1 1 132 132 GLY N N 132 108.616 108.616 108.521 0.095 19604 3391 1 5 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.059 1.468 19604 3392 1 5 . 1 1 132 132 GLY H H 132 7.559 7.559 7.697 -0.138 19604 3393 1 5 . 1 1 133 133 ASP N N 133 120.901 120.901 119.840 1.061 19604 3394 1 5 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.559 -0.081 19604 3395 1 5 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.625 0.028 19604 3396 1 5 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.361 -1.090 19604 3397 1 5 . 1 1 133 133 ASP H H 133 8.340 8.340 8.718 -0.378 19604 3398 1 5 . 1 1 134 134 GLY N N 134 112.918 112.918 108.868 4.050 19604 3399 1 5 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.953 0.915 19604 3400 1 5 . 1 1 134 134 GLY H H 134 10.366 10.366 8.823 1.543 19604 3401 1 5 . 1 1 135 135 GLN N N 135 115.297 115.297 117.535 -2.238 19604 3402 1 5 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.664 0.253 19604 3403 1 5 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.713 -1.486 19604 3404 1 5 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.244 -0.902 19604 3405 1 5 . 1 1 135 135 GLN H H 135 8.012 8.012 8.628 -0.616 19604 3406 1 5 . 1 1 136 136 VAL N N 136 125.463 125.463 122.188 3.275 19604 3407 1 5 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.954 0.264 19604 3408 1 5 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.252 1.411 19604 3409 1 5 . 1 1 136 136 VAL CB C 136 33.758 33.758 31.587 2.171 19604 3410 1 5 . 1 1 136 136 VAL H H 136 9.133 9.133 8.642 0.491 19604 3411 1 5 . 1 1 137 137 ASN N N 137 129.402 129.402 126.695 2.707 19604 3412 1 5 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.748 0.551 19604 3413 1 5 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.905 0.121 19604 3414 1 5 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.507 -1.222 19604 3415 1 5 . 1 1 137 137 ASN H H 137 9.634 9.634 8.330 1.304 19604 3416 1 5 . 1 1 138 138 TYR N N 138 118.585 118.585 122.351 -3.766 19604 3417 1 5 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.736 -0.394 19604 3418 1 5 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.173 -0.656 19604 3419 1 5 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.154 -0.458 19604 3420 1 5 . 1 1 138 138 TYR H H 138 8.400 8.400 8.734 -0.334 19604 3421 1 5 . 1 1 139 139 GLU N N 139 118.692 118.692 118.782 -0.090 19604 3422 1 5 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.749 -0.131 19604 3423 1 5 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.459 0.855 19604 3424 1 5 . 1 1 139 139 GLU CB C 139 29.000 29.000 28.914 0.086 19604 3425 1 5 . 1 1 139 139 GLU H H 139 8.095 8.095 8.564 -0.469 19604 3426 1 5 . 1 1 140 140 GLU N N 140 119.980 119.980 119.369 0.611 19604 3427 1 5 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.144 -0.239 19604 3428 1 5 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.915 -0.383 19604 3429 1 5 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.744 -0.037 19604 3430 1 5 . 1 1 140 140 GLU H H 140 8.759 8.759 8.410 0.349 19604 3431 1 5 . 1 1 141 141 PHE N N 141 123.408 123.408 121.673 1.735 19604 3432 1 5 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.263 -0.532 19604 3433 1 5 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.767 0.216 19604 3434 1 5 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.665 0.508 19604 3435 1 5 . 1 1 141 141 PHE H H 141 8.639 8.639 8.476 0.163 19604 3436 1 5 . 1 1 142 142 VAL N N 142 119.839 119.839 120.350 -0.511 19604 3437 1 5 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.388 -0.344 19604 3438 1 5 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.578 0.540 19604 3439 1 5 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.484 0.031 19604 3440 1 5 . 1 1 142 142 VAL H H 142 8.781 8.781 8.696 0.085 19604 3441 1 5 . 1 1 143 143 GLN N N 143 118.240 118.240 118.369 -0.129 19604 3442 1 5 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.877 -0.075 19604 3443 1 5 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.845 -0.028 19604 3444 1 5 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.741 -0.566 19604 3445 1 5 . 1 1 143 143 GLN H H 143 7.491 7.491 7.545 -0.054 19604 3446 1 5 . 1 1 144 144 MET N N 144 116.028 116.028 118.433 -2.405 19604 3447 1 5 . 1 1 144 144 MET HA H 144 4.145 4.145 4.096 0.049 19604 3448 1 5 . 1 1 144 144 MET CA C 144 55.939 55.939 57.691 -1.752 19604 3449 1 5 . 1 1 144 144 MET CB C 144 31.345 31.345 32.414 -1.069 19604 3450 1 5 . 1 1 144 144 MET H H 144 7.176 7.176 7.911 -0.735 19604 3451 1 5 . 1 1 145 145 MET N N 145 116.272 116.272 118.569 -2.297 19604 3452 1 5 . 1 1 145 145 MET HA H 145 4.301 4.301 4.079 0.222 19604 3453 1 5 . 1 1 145 145 MET CA C 145 55.416 55.416 58.102 -2.686 19604 3454 1 5 . 1 1 145 145 MET CB C 145 32.831 32.831 32.841 -0.010 19604 3455 1 5 . 1 1 145 145 MET H H 145 7.831 7.831 7.956 -0.125 19604 3456 1 5 . 1 1 146 146 THR N N 146 110.389 110.389 113.253 -2.864 19604 3457 1 5 . 1 1 146 146 THR HA H 146 4.308 4.308 4.372 -0.064 19604 3458 1 5 . 1 1 146 146 THR CA C 146 61.942 61.942 61.706 0.236 19604 3459 1 5 . 1 1 146 146 THR CB C 146 70.244 70.244 68.373 1.871 19604 3460 1 5 . 1 1 146 146 THR H H 146 7.474 7.474 7.625 -0.151 19604 3461 1 5 . 1 1 147 147 ALA N N 147 126.864 126.864 124.745 2.119 19604 3462 1 5 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.138 0.070 19604 3463 1 5 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.838 0.160 19604 3464 1 5 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.500 -0.384 19604 3465 1 5 . 1 1 147 147 ALA H H 147 7.622 7.622 7.378 0.244 19604 3466 1 6 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.680 -0.040 19604 3467 1 6 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.251 0.362 19604 3468 1 6 . 1 1 2 2 ASP CB C 2 41.351 41.351 42.153 -0.802 19604 3469 1 6 . 1 1 3 3 GLN N N 3 120.300 120.300 119.975 0.325 19604 3470 1 6 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.405 -0.032 19604 3471 1 6 . 1 1 3 3 GLN CA C 3 55.498 55.498 56.418 -0.920 19604 3472 1 6 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.433 0.345 19604 3473 1 6 . 1 1 3 3 GLN H H 3 8.388 8.388 8.519 -0.131 19604 3474 1 6 . 1 1 4 4 LEU N N 4 123.525 123.525 120.725 2.800 19604 3475 1 6 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.680 0.007 19604 3476 1 6 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.048 0.311 19604 3477 1 6 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.416 0.237 19604 3478 1 6 . 1 1 4 4 LEU H H 4 8.299 8.299 7.673 0.625 19604 3479 1 6 . 1 1 5 5 THR N N 5 113.299 113.299 112.589 0.710 19604 3480 1 6 . 1 1 5 5 THR HA H 5 4.476 4.476 4.646 -0.170 19604 3481 1 6 . 1 1 5 5 THR CA C 5 60.463 60.463 60.039 0.423 19604 3482 1 6 . 1 1 5 5 THR CB C 5 71.250 71.250 71.433 -0.183 19604 3483 1 6 . 1 1 5 5 THR H H 5 8.651 8.651 8.315 0.336 19604 3484 1 6 . 1 1 6 6 GLU N N 6 120.620 120.620 121.154 -0.534 19604 3485 1 6 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.052 -0.077 19604 3486 1 6 . 1 1 6 6 GLU CA C 6 59.935 59.935 59.780 0.155 19604 3487 1 6 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.668 -0.469 19604 3488 1 6 . 1 1 6 6 GLU H H 6 9.014 9.014 8.863 0.151 19604 3489 1 6 . 1 1 7 7 GLU N N 7 119.586 119.586 118.278 1.308 19604 3490 1 6 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.064 0.004 19604 3491 1 6 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.397 0.546 19604 3492 1 6 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.334 -0.257 19604 3493 1 6 . 1 1 7 7 GLU H H 7 8.713 8.713 8.572 0.141 19604 3494 1 6 . 1 1 8 8 GLN N N 8 120.413 120.413 118.987 1.426 19604 3495 1 6 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.156 -0.331 19604 3496 1 6 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.508 0.267 19604 3497 1 6 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.982 0.478 19604 3498 1 6 . 1 1 8 8 GLN H H 8 7.719 7.719 7.797 -0.078 19604 3499 1 6 . 1 1 9 9 ILE N N 9 119.362 119.362 120.566 -1.204 19604 3500 1 6 . 1 1 9 9 ILE HA H 9 3.668 3.668 4.024 -0.356 19604 3501 1 6 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.816 1.419 19604 3502 1 6 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.957 -0.136 19604 3503 1 6 . 1 1 9 9 ILE H H 9 8.267 8.267 8.664 -0.397 19604 3504 1 6 . 1 1 10 10 ALA N N 10 121.321 121.321 122.699 -1.378 19604 3505 1 6 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.000 0.118 19604 3506 1 6 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.732 -0.335 19604 3507 1 6 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.907 -0.111 19604 3508 1 6 . 1 1 10 10 ALA H H 10 8.023 8.023 8.399 -0.376 19604 3509 1 6 . 1 1 11 11 GLU N N 11 119.865 119.865 118.422 1.443 19604 3510 1 6 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.058 0.083 19604 3511 1 6 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.229 0.182 19604 3512 1 6 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.307 -0.099 19604 3513 1 6 . 1 1 11 11 GLU H H 11 7.761 7.761 7.781 -0.020 19604 3514 1 6 . 1 1 12 12 PHE N N 12 119.971 119.971 119.408 0.563 19604 3515 1 6 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.397 0.625 19604 3516 1 6 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.548 -1.836 19604 3517 1 6 . 1 1 12 12 PHE CB C 12 37.517 37.517 39.184 -1.667 19604 3518 1 6 . 1 1 12 12 PHE H H 12 8.479 8.479 7.439 1.040 19604 3519 1 6 . 1 1 13 13 LYS N N 13 123.604 123.604 120.384 3.220 19604 3520 1 6 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.055 -0.081 19604 3521 1 6 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.245 -0.289 19604 3522 1 6 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.414 -0.636 19604 3523 1 6 . 1 1 13 13 LYS H H 13 9.222 9.222 8.836 0.386 19604 3524 1 6 . 1 1 14 14 GLU N N 14 120.976 120.976 118.632 2.344 19604 3525 1 6 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.103 0.010 19604 3526 1 6 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.058 0.504 19604 3527 1 6 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.255 0.160 19604 3528 1 6 . 1 1 14 14 GLU H H 14 7.924 7.924 7.927 -0.003 19604 3529 1 6 . 1 1 15 15 ALA N N 15 122.303 122.303 121.897 0.406 19604 3530 1 6 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.108 0.216 19604 3531 1 6 . 1 1 15 15 ALA CA C 15 55.138 55.138 55.072 0.066 19604 3532 1 6 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.142 -0.140 19604 3533 1 6 . 1 1 15 15 ALA H H 15 7.990 7.990 7.776 0.214 19604 3534 1 6 . 1 1 16 16 PHE N N 16 119.011 119.011 119.455 -0.444 19604 3535 1 6 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.749 -0.479 19604 3536 1 6 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.093 0.895 19604 3537 1 6 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.045 0.861 19604 3538 1 6 . 1 1 16 16 PHE H H 16 8.666 8.666 7.401 1.265 19604 3539 1 6 . 1 1 17 17 SER N N 17 113.988 113.988 114.057 -0.069 19604 3540 1 6 . 1 1 17 17 SER HA H 17 4.086 4.086 4.143 -0.057 19604 3541 1 6 . 1 1 17 17 SER CA C 17 61.532 61.532 61.353 0.179 19604 3542 1 6 . 1 1 17 17 SER CB C 17 62.921 62.921 62.995 -0.074 19604 3543 1 6 . 1 1 17 17 SER H H 17 8.202 8.202 7.899 0.303 19604 3544 1 6 . 1 1 18 18 LEU N N 18 120.913 120.913 119.653 1.260 19604 3545 1 6 . 1 1 18 18 LEU HA H 18 3.950 3.950 3.990 -0.040 19604 3546 1 6 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.079 0.408 19604 3547 1 6 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.803 -0.280 19604 3548 1 6 . 1 1 18 18 LEU H H 18 7.280 7.280 7.115 0.165 19604 3549 1 6 . 1 1 19 19 PHE N N 19 113.613 113.613 114.190 -0.577 19604 3550 1 6 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.225 -0.193 19604 3551 1 6 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.945 -0.539 19604 3552 1 6 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.172 2.385 19604 3553 1 6 . 1 1 19 19 PHE H H 19 7.070 7.070 7.304 -0.234 19604 3554 1 6 . 1 1 20 20 ASP N N 20 117.393 117.393 119.179 -1.786 19604 3555 1 6 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.560 0.033 19604 3556 1 6 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.590 -1.122 19604 3557 1 6 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.520 -1.224 19604 3558 1 6 . 1 1 20 20 ASP H H 20 7.790 7.790 7.756 0.034 19604 3559 1 6 . 1 1 21 21 LYS N N 21 124.292 124.292 124.383 -0.091 19604 3560 1 6 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.036 -0.058 19604 3561 1 6 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.157 0.163 19604 3562 1 6 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.838 -0.165 19604 3563 1 6 . 1 1 21 21 LYS H H 21 7.707 7.707 8.130 -0.423 19604 3564 1 6 . 1 1 22 22 ASP N N 22 114.139 114.139 115.081 -0.942 19604 3565 1 6 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.530 0.050 19604 3566 1 6 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.620 -0.829 19604 3567 1 6 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.358 -0.793 19604 3568 1 6 . 1 1 22 22 ASP H H 22 8.025 8.025 8.298 -0.273 19604 3569 1 6 . 1 1 23 23 GLY N N 23 109.378 109.378 108.956 0.422 19604 3570 1 6 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.285 0.931 19604 3571 1 6 . 1 1 23 23 GLY H H 23 7.661 7.661 7.745 -0.084 19604 3572 1 6 . 1 1 24 24 ASP N N 24 121.022 121.022 120.036 0.986 19604 3573 1 6 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.514 0.001 19604 3574 1 6 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.580 0.098 19604 3575 1 6 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.637 -1.134 19604 3576 1 6 . 1 1 24 24 ASP H H 24 8.466 8.466 8.334 0.132 19604 3577 1 6 . 1 1 25 25 GLY N N 25 112.810 112.810 109.409 3.401 19604 3578 1 6 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.314 0.032 19604 3579 1 6 . 1 1 25 25 GLY H H 25 10.507 10.507 9.370 1.137 19604 3580 1 6 . 1 1 26 26 THR N N 26 112.094 112.094 113.485 -1.391 19604 3581 1 6 . 1 1 26 26 THR HA H 26 5.431 5.431 5.488 -0.057 19604 3582 1 6 . 1 1 26 26 THR CA C 26 59.576 59.576 60.252 -0.676 19604 3583 1 6 . 1 1 26 26 THR CB C 26 72.730 72.730 71.686 1.044 19604 3584 1 6 . 1 1 26 26 THR H H 26 8.191 8.191 8.404 -0.213 19604 3585 1 6 . 1 1 27 27 ILE N N 27 126.447 126.447 127.043 -0.596 19604 3586 1 6 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.355 0.412 19604 3587 1 6 . 1 1 27 27 ILE CA C 27 61.130 61.130 61.006 0.124 19604 3588 1 6 . 1 1 27 27 ILE CB C 27 39.988 39.988 37.584 2.404 19604 3589 1 6 . 1 1 27 27 ILE H H 27 9.845 9.845 8.980 0.865 19604 3590 1 6 . 1 1 28 28 THR N N 28 116.315 116.315 118.332 -2.017 19604 3591 1 6 . 1 1 28 28 THR HA H 28 4.894 4.894 4.933 -0.039 19604 3592 1 6 . 1 1 28 28 THR CA C 28 59.217 59.217 59.845 -0.628 19604 3593 1 6 . 1 1 28 28 THR CB C 28 72.480 72.480 71.482 0.998 19604 3594 1 6 . 1 1 28 28 THR H H 28 8.322 8.322 9.073 -0.751 19604 3595 1 6 . 1 1 29 29 THR N N 29 112.270 112.270 112.489 -0.219 19604 3596 1 6 . 1 1 29 29 THR HA H 29 3.790 3.790 3.955 -0.165 19604 3597 1 6 . 1 1 29 29 THR CA C 29 66.207 66.207 66.671 -0.464 19604 3598 1 6 . 1 1 29 29 THR CB C 29 67.737 67.737 68.619 -0.882 19604 3599 1 6 . 1 1 29 29 THR H H 29 9.251 9.251 8.958 0.293 19604 3600 1 6 . 1 1 30 30 LYS N N 30 121.127 121.127 121.818 -0.691 19604 3601 1 6 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.170 -0.052 19604 3602 1 6 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.436 0.821 19604 3603 1 6 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.200 0.333 19604 3604 1 6 . 1 1 30 30 LYS H H 30 7.569 7.569 7.801 -0.232 19604 3605 1 6 . 1 1 31 31 GLU N N 31 121.876 121.876 120.483 1.393 19604 3606 1 6 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.027 -0.011 19604 3607 1 6 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.490 -0.033 19604 3608 1 6 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.638 -0.087 19604 3609 1 6 . 1 1 31 31 GLU H H 31 7.715 7.715 7.850 -0.135 19604 3610 1 6 . 1 1 32 32 LEU N N 32 120.674 120.674 120.667 0.007 19604 3611 1 6 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.238 -0.044 19604 3612 1 6 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.177 1.010 19604 3613 1 6 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.120 0.036 19604 3614 1 6 . 1 1 32 32 LEU H H 32 8.592 8.592 8.456 0.136 19604 3615 1 6 . 1 1 33 33 GLY N N 33 106.859 106.859 105.598 1.261 19604 3616 1 6 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.479 0.748 19604 3617 1 6 . 1 1 33 33 GLY H H 33 8.861 8.861 7.970 0.891 19604 3618 1 6 . 1 1 34 34 THR N N 34 118.512 118.512 118.585 -0.073 19604 3619 1 6 . 1 1 34 34 THR HA H 34 3.935 3.935 3.894 0.041 19604 3620 1 6 . 1 1 34 34 THR CA C 34 66.964 66.964 67.079 -0.115 19604 3621 1 6 . 1 1 34 34 THR CB C 34 68.610 68.610 68.665 -0.055 19604 3622 1 6 . 1 1 34 34 THR H H 34 7.965 7.965 7.733 0.232 19604 3623 1 6 . 1 1 35 35 VAL N N 35 122.456 122.456 120.870 1.586 19604 3624 1 6 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.565 0.006 19604 3625 1 6 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.555 0.004 19604 3626 1 6 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.365 0.166 19604 3627 1 6 . 1 1 35 35 VAL H H 35 7.532 7.532 7.540 -0.008 19604 3628 1 6 . 1 1 36 36 MET N N 36 118.015 118.015 118.279 -0.264 19604 3629 1 6 . 1 1 36 36 MET HA H 36 3.899 3.899 4.082 -0.183 19604 3630 1 6 . 1 1 36 36 MET CA C 36 60.156 60.156 59.705 0.451 19604 3631 1 6 . 1 1 36 36 MET CB C 36 31.731 31.731 32.212 -0.481 19604 3632 1 6 . 1 1 36 36 MET H H 36 8.525 8.525 7.844 0.681 19604 3633 1 6 . 1 1 37 37 ARG N N 37 119.604 119.604 119.243 0.361 19604 3634 1 6 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.938 0.843 19604 3635 1 6 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.825 -0.569 19604 3636 1 6 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.174 -0.561 19604 3637 1 6 . 1 1 37 37 ARG H H 37 8.579 8.579 8.054 0.525 19604 3638 1 6 . 1 1 38 38 SER N N 38 119.543 119.543 114.348 5.195 19604 3639 1 6 . 1 1 38 38 SER HA H 38 4.396 4.396 4.288 0.108 19604 3640 1 6 . 1 1 38 38 SER CA C 38 61.758 61.758 61.061 0.697 19604 3641 1 6 . 1 1 38 38 SER CB C 38 62.691 62.691 62.801 -0.110 19604 3642 1 6 . 1 1 38 38 SER H H 38 7.939 7.939 7.761 0.178 19604 3643 1 6 . 1 1 39 39 LEU N N 39 120.454 120.454 119.946 0.508 19604 3644 1 6 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.559 -0.118 19604 3645 1 6 . 1 1 39 39 LEU CA C 39 54.616 54.616 54.830 -0.214 19604 3646 1 6 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.578 -0.448 19604 3647 1 6 . 1 1 39 39 LEU H H 39 7.394 7.394 7.643 -0.249 19604 3648 1 6 . 1 1 40 40 GLY N N 40 107.378 107.378 106.393 0.985 19604 3649 1 6 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.522 1.093 19604 3650 1 6 . 1 1 40 40 GLY H H 40 7.897 7.897 7.653 0.244 19604 3651 1 6 . 1 1 41 41 GLN N N 41 118.330 118.330 120.716 -2.386 19604 3652 1 6 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.485 0.016 19604 3653 1 6 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.204 0.114 19604 3654 1 6 . 1 1 41 41 GLN CB C 41 30.494 30.494 29.780 0.714 19604 3655 1 6 . 1 1 41 41 GLN H H 41 7.883 7.883 8.054 -0.171 19604 3656 1 6 . 1 1 42 42 ASN N N 42 116.488 116.488 123.793 -7.305 19604 3657 1 6 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.017 0.195 19604 3658 1 6 . 1 1 42 42 ASN CA C 42 51.128 51.128 50.054 1.074 19604 3659 1 6 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.813 0.358 19604 3660 1 6 . 1 1 42 42 ASN H H 42 8.697 8.697 8.521 0.176 19604 3661 1 6 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.578 0.206 19604 3662 1 6 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.805 -0.483 19604 3663 1 6 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.600 -0.322 19604 3664 1 6 . 1 1 44 44 THR N N 44 112.452 112.452 111.361 1.091 19604 3665 1 6 . 1 1 44 44 THR HA H 44 4.461 4.461 4.410 0.051 19604 3666 1 6 . 1 1 44 44 THR CA C 44 60.411 60.411 60.282 0.129 19604 3667 1 6 . 1 1 44 44 THR CB C 44 71.068 71.068 71.312 -0.244 19604 3668 1 6 . 1 1 44 44 THR H H 44 8.678 8.678 8.156 0.522 19604 3669 1 6 . 1 1 45 45 GLU N N 45 120.954 120.954 124.362 -3.408 19604 3670 1 6 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.876 0.134 19604 3671 1 6 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.020 -0.137 19604 3672 1 6 . 1 1 45 45 GLU H H 45 8.803 8.803 9.069 -0.266 19604 3673 1 6 . 1 1 46 46 ALA N N 46 120.643 120.643 119.607 1.036 19604 3674 1 6 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.132 -0.015 19604 3675 1 6 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.605 0.408 19604 3676 1 6 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.210 -0.037 19604 3677 1 6 . 1 1 46 46 ALA H H 46 8.272 8.272 8.267 0.005 19604 3678 1 6 . 1 1 47 47 GLU N N 47 119.059 119.059 120.311 -1.252 19604 3679 1 6 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.060 -0.025 19604 3680 1 6 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.089 0.074 19604 3681 1 6 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.679 0.247 19604 3682 1 6 . 1 1 47 47 GLU H H 47 7.686 7.686 7.679 0.007 19604 3683 1 6 . 1 1 48 48 LEU N N 48 119.848 119.848 120.054 -0.206 19604 3684 1 6 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.970 0.055 19604 3685 1 6 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.176 -0.335 19604 3686 1 6 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.917 0.513 19604 3687 1 6 . 1 1 48 48 LEU H H 48 8.036 8.036 8.618 -0.582 19604 3688 1 6 . 1 1 49 49 GLN N N 49 118.226 118.226 117.532 0.694 19604 3689 1 6 . 1 1 49 49 GLN HA H 49 3.803 3.803 4.007 -0.204 19604 3690 1 6 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.893 -0.332 19604 3691 1 6 . 1 1 49 49 GLN CB C 49 28.242 28.242 28.295 -0.053 19604 3692 1 6 . 1 1 49 49 GLN H H 49 8.323 8.323 7.715 0.608 19604 3693 1 6 . 1 1 50 50 ASP N N 50 119.928 119.928 121.610 -1.682 19604 3694 1 6 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.339 0.059 19604 3695 1 6 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.508 0.101 19604 3696 1 6 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.946 -0.313 19604 3697 1 6 . 1 1 50 50 ASP H H 50 8.147 8.147 7.845 0.302 19604 3698 1 6 . 1 1 51 51 MET N N 51 117.796 117.796 116.942 0.854 19604 3699 1 6 . 1 1 51 51 MET HA H 51 4.050 4.050 4.174 -0.124 19604 3700 1 6 . 1 1 51 51 MET CA C 51 59.555 59.555 59.109 0.446 19604 3701 1 6 . 1 1 51 51 MET CB C 51 32.846 32.846 32.476 0.370 19604 3702 1 6 . 1 1 51 51 MET H H 51 7.814 7.814 7.867 -0.053 19604 3703 1 6 . 1 1 52 52 ILE N N 52 118.474 118.474 120.586 -2.112 19604 3704 1 6 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.541 0.058 19604 3705 1 6 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.125 -1.019 19604 3706 1 6 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.555 -0.496 19604 3707 1 6 . 1 1 52 52 ILE H H 52 7.685 7.685 7.720 -0.035 19604 3708 1 6 . 1 1 53 53 ASN N N 53 118.591 118.591 117.243 1.348 19604 3709 1 6 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.405 0.012 19604 3710 1 6 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.698 0.207 19604 3711 1 6 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.052 -0.061 19604 3712 1 6 . 1 1 53 53 ASN H H 53 8.786 8.786 8.247 0.539 19604 3713 1 6 . 1 1 54 54 GLU N N 54 115.327 115.327 116.939 -1.612 19604 3714 1 6 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.118 -0.070 19604 3715 1 6 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.313 0.764 19604 3716 1 6 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.902 1.023 19604 3717 1 6 . 1 1 54 54 GLU H H 54 7.368 7.368 7.663 -0.295 19604 3718 1 6 . 1 1 55 55 VAL N N 55 111.285 111.285 111.739 -0.454 19604 3719 1 6 . 1 1 55 55 VAL HA H 55 4.227 4.227 3.954 0.273 19604 3720 1 6 . 1 1 55 55 VAL CA C 55 60.832 60.832 63.096 -2.264 19604 3721 1 6 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.869 1.447 19604 3722 1 6 . 1 1 55 55 VAL H H 55 7.133 7.133 7.211 -0.078 19604 3723 1 6 . 1 1 56 56 ASP N N 56 121.291 121.291 121.156 0.135 19604 3724 1 6 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.752 -0.284 19604 3725 1 6 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.014 -0.314 19604 3726 1 6 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.069 0.514 19604 3727 1 6 . 1 1 56 56 ASP H H 56 7.567 7.567 7.662 -0.095 19604 3728 1 6 . 1 1 57 57 ALA N N 57 131.432 131.432 129.773 1.659 19604 3729 1 6 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.189 0.040 19604 3730 1 6 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.716 0.639 19604 3731 1 6 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.952 -0.257 19604 3732 1 6 . 1 1 57 57 ALA H H 57 8.064 8.064 8.742 -0.678 19604 3733 1 6 . 1 1 58 58 ASP N N 58 114.063 114.063 116.576 -2.513 19604 3734 1 6 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.596 0.041 19604 3735 1 6 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.610 -0.842 19604 3736 1 6 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.930 -1.082 19604 3737 1 6 . 1 1 58 58 ASP H H 58 8.211 8.211 8.361 -0.150 19604 3738 1 6 . 1 1 59 59 GLY N N 59 108.646 108.646 109.457 -0.811 19604 3739 1 6 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.863 1.337 19604 3740 1 6 . 1 1 59 59 GLY H H 59 7.584 7.584 7.943 -0.359 19604 3741 1 6 . 1 1 60 60 ASN N N 60 118.886 118.886 118.995 -0.109 19604 3742 1 6 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.758 -0.138 19604 3743 1 6 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.376 0.301 19604 3744 1 6 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.757 -2.178 19604 3745 1 6 . 1 1 60 60 ASN H H 60 8.162 8.162 8.762 -0.600 19604 3746 1 6 . 1 1 61 61 GLY N N 61 113.458 113.458 110.235 3.223 19604 3747 1 6 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.325 0.314 19604 3748 1 6 . 1 1 61 61 GLY H H 61 10.568 10.568 9.187 1.381 19604 3749 1 6 . 1 1 62 62 THR N N 62 108.490 108.490 109.582 -1.092 19604 3750 1 6 . 1 1 62 62 THR HA H 62 4.800 4.800 4.993 -0.193 19604 3751 1 6 . 1 1 62 62 THR CA C 62 59.327 59.327 59.470 -0.143 19604 3752 1 6 . 1 1 62 62 THR CB C 62 72.409 72.409 72.435 -0.026 19604 3753 1 6 . 1 1 62 62 THR H H 62 7.643 7.643 8.335 -0.692 19604 3754 1 6 . 1 1 63 63 ILE N N 63 123.350 123.350 122.263 1.087 19604 3755 1 6 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.717 0.497 19604 3756 1 6 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.914 -1.863 19604 3757 1 6 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.688 0.917 19604 3758 1 6 . 1 1 63 63 ILE H H 63 8.544 8.544 8.415 0.129 19604 3759 1 6 . 1 1 64 64 ASP N N 64 128.480 128.480 127.964 0.516 19604 3760 1 6 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.020 0.487 19604 3761 1 6 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.489 -1.504 19604 3762 1 6 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.872 -0.669 19604 3763 1 6 . 1 1 64 64 ASP H H 64 8.902 8.902 8.318 0.584 19604 3764 1 6 . 1 1 65 65 PHE N N 65 118.622 118.622 120.150 -1.528 19604 3765 1 6 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.557 0.422 19604 3766 1 6 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.342 1.743 19604 3767 1 6 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.744 -0.842 19604 3768 1 6 . 1 1 65 65 PHE H H 65 8.967 8.967 8.737 0.230 19604 3769 1 6 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.650 0.238 19604 3770 1 6 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.880 1.970 19604 3771 1 6 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.731 0.069 19604 3772 1 6 . 1 1 67 67 GLU N N 67 118.243 118.243 118.809 -0.566 19604 3773 1 6 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.926 0.039 19604 3774 1 6 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.702 -0.657 19604 3775 1 6 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.909 0.965 19604 3776 1 6 . 1 1 67 67 GLU H H 67 8.420 8.420 8.241 0.179 19604 3777 1 6 . 1 1 68 68 PHE N N 68 124.020 124.020 119.554 4.466 19604 3778 1 6 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.339 -0.554 19604 3779 1 6 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.786 0.701 19604 3780 1 6 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.640 1.142 19604 3781 1 6 . 1 1 68 68 PHE H H 68 8.638 8.638 7.647 0.991 19604 3782 1 6 . 1 1 69 69 LEU N N 69 120.062 120.062 120.563 -0.501 19604 3783 1 6 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.902 -0.534 19604 3784 1 6 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.641 0.214 19604 3785 1 6 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.391 -0.006 19604 3786 1 6 . 1 1 69 69 LEU H H 69 8.972 8.972 7.403 1.569 19604 3787 1 6 . 1 1 70 70 THR N N 70 115.488 115.488 114.109 1.379 19604 3788 1 6 . 1 1 70 70 THR HA H 70 3.697 3.697 3.753 -0.056 19604 3789 1 6 . 1 1 70 70 THR CA C 70 66.558 66.558 66.067 0.491 19604 3790 1 6 . 1 1 70 70 THR CB C 70 68.396 68.396 68.541 -0.145 19604 3791 1 6 . 1 1 70 70 THR H H 70 7.855 7.855 8.200 -0.345 19604 3792 1 6 . 1 1 71 71 MET N N 71 119.627 119.627 119.750 -0.123 19604 3793 1 6 . 1 1 71 71 MET HA H 71 3.757 3.757 4.075 -0.318 19604 3794 1 6 . 1 1 71 71 MET CA C 71 58.334 58.334 58.761 -0.427 19604 3795 1 6 . 1 1 71 71 MET CB C 71 30.736 30.736 32.255 -1.519 19604 3796 1 6 . 1 1 71 71 MET H H 71 7.155 7.155 7.291 -0.136 19604 3797 1 6 . 1 1 72 72 MET N N 72 116.046 116.046 117.573 -1.527 19604 3798 1 6 . 1 1 72 72 MET HA H 72 3.977 3.977 4.246 -0.269 19604 3799 1 6 . 1 1 72 72 MET CA C 72 55.138 55.138 57.401 -2.263 19604 3800 1 6 . 1 1 72 72 MET CB C 72 29.103 29.103 31.814 -2.711 19604 3801 1 6 . 1 1 72 72 MET H H 72 7.646 7.646 7.540 0.106 19604 3802 1 6 . 1 1 73 73 ALA N N 73 120.685 120.685 121.462 -0.777 19604 3803 1 6 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.008 0.174 19604 3804 1 6 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.947 -1.847 19604 3805 1 6 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.992 1.300 19604 3806 1 6 . 1 1 73 73 ALA H H 73 8.080 8.080 7.756 0.324 19604 3807 1 6 . 1 1 74 74 ARG N N 74 118.501 118.501 118.682 -0.181 19604 3808 1 6 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.062 0.126 19604 3809 1 6 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.346 -1.369 19604 3810 1 6 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.930 0.588 19604 3811 1 6 . 1 1 74 74 ARG H H 74 7.367 7.367 7.560 -0.193 19604 3812 1 6 . 1 1 76 76 MET HA H 76 4.413 4.413 4.261 0.152 19604 3813 1 6 . 1 1 76 76 MET CA C 76 55.804 55.804 57.688 -1.884 19604 3814 1 6 . 1 1 76 76 MET CB C 76 33.291 33.291 32.582 0.709 19604 3815 1 6 . 1 1 77 77 LYS N N 77 121.563 121.563 119.085 2.478 19604 3816 1 6 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.132 0.189 19604 3817 1 6 . 1 1 77 77 LYS CA C 77 56.418 56.418 57.486 -1.068 19604 3818 1 6 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.161 0.090 19604 3819 1 6 . 1 1 77 77 LYS H H 77 8.253 8.253 7.902 0.351 19604 3820 1 6 . 1 1 78 78 ASP N N 78 121.953 121.953 118.077 3.876 19604 3821 1 6 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.449 0.169 19604 3822 1 6 . 1 1 78 78 ASP CA C 78 54.855 54.855 54.606 0.249 19604 3823 1 6 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.380 0.736 19604 3824 1 6 . 1 1 78 78 ASP H H 78 8.362 8.362 8.184 0.178 19604 3825 1 6 . 1 1 79 79 THR N N 79 113.276 113.276 117.855 -4.579 19604 3826 1 6 . 1 1 79 79 THR HA H 79 4.305 4.305 4.567 -0.262 19604 3827 1 6 . 1 1 79 79 THR CA C 79 62.124 62.124 63.437 -1.313 19604 3828 1 6 . 1 1 79 79 THR CB C 79 69.634 69.634 68.025 1.609 19604 3829 1 6 . 1 1 79 79 THR H H 79 8.014 8.014 8.568 -0.554 19604 3830 1 6 . 1 1 80 80 ASP N N 80 122.850 122.850 121.855 0.995 19604 3831 1 6 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.827 -0.152 19604 3832 1 6 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.565 -0.910 19604 3833 1 6 . 1 1 80 80 ASP CB C 80 41.424 41.424 42.528 -1.104 19604 3834 1 6 . 1 1 80 80 ASP H H 80 8.316 8.316 8.492 -0.176 19604 3835 1 6 . 1 1 81 81 SER N N 81 116.864 116.864 117.281 -0.417 19604 3836 1 6 . 1 1 81 81 SER HA H 81 4.429 4.429 4.177 0.252 19604 3837 1 6 . 1 1 81 81 SER CA C 81 59.337 59.337 62.408 -3.071 19604 3838 1 6 . 1 1 81 81 SER CB C 81 63.672 63.672 63.426 0.246 19604 3839 1 6 . 1 1 81 81 SER H H 81 8.391 8.391 7.861 0.530 19604 3840 1 6 . 1 1 82 82 GLU N N 82 122.561 122.561 119.676 2.885 19604 3841 1 6 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.034 0.039 19604 3842 1 6 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.144 0.035 19604 3843 1 6 . 1 1 82 82 GLU CB C 82 29.512 29.512 28.279 1.234 19604 3844 1 6 . 1 1 82 82 GLU H H 82 8.479 8.479 8.656 -0.177 19604 3845 1 6 . 1 1 83 83 GLU N N 83 119.348 119.348 119.902 -0.554 19604 3846 1 6 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.156 -0.112 19604 3847 1 6 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.002 0.645 19604 3848 1 6 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.631 -0.100 19604 3849 1 6 . 1 1 83 83 GLU H H 83 8.279 8.279 7.720 0.559 19604 3850 1 6 . 1 1 84 84 GLU N N 84 118.810 118.810 120.009 -1.199 19604 3851 1 6 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.168 -0.055 19604 3852 1 6 . 1 1 84 84 GLU CA C 84 59.477 59.477 58.909 0.568 19604 3853 1 6 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.958 -0.289 19604 3854 1 6 . 1 1 84 84 GLU H H 84 8.062 8.062 7.757 0.305 19604 3855 1 6 . 1 1 85 85 ILE N N 85 122.019 122.019 120.973 1.046 19604 3856 1 6 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.011 -0.093 19604 3857 1 6 . 1 1 85 85 ILE CA C 85 65.327 65.327 66.266 -0.938 19604 3858 1 6 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.054 -0.626 19604 3859 1 6 . 1 1 85 85 ILE H H 85 8.008 8.008 8.925 -0.917 19604 3860 1 6 . 1 1 86 86 ARG N N 86 121.851 121.851 119.258 2.593 19604 3861 1 6 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.004 0.162 19604 3862 1 6 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.740 0.286 19604 3863 1 6 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.949 0.018 19604 3864 1 6 . 1 1 86 86 ARG H H 86 8.446 8.446 7.952 0.494 19604 3865 1 6 . 1 1 87 87 GLU N N 87 118.621 118.621 119.216 -0.595 19604 3866 1 6 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.116 -0.006 19604 3867 1 6 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.017 0.090 19604 3868 1 6 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.655 -0.229 19604 3869 1 6 . 1 1 87 87 GLU H H 87 8.149 8.149 7.541 0.608 19604 3870 1 6 . 1 1 88 88 ALA N N 88 121.741 121.741 122.743 -1.002 19604 3871 1 6 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.701 0.324 19604 3872 1 6 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.779 0.207 19604 3873 1 6 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.248 -0.524 19604 3874 1 6 . 1 1 88 88 ALA H H 88 7.880 7.880 8.480 -0.600 19604 3875 1 6 . 1 1 89 89 PHE N N 89 118.057 118.057 119.261 -1.204 19604 3876 1 6 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.739 -0.590 19604 3877 1 6 . 1 1 89 89 PHE CA C 89 62.366 62.366 62.075 0.291 19604 3878 1 6 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.034 0.303 19604 3879 1 6 . 1 1 89 89 PHE H H 89 8.463 8.463 8.388 0.075 19604 3880 1 6 . 1 1 90 90 ARG N N 90 115.723 115.723 118.506 -2.783 19604 3881 1 6 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.930 -0.038 19604 3882 1 6 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.118 -0.230 19604 3883 1 6 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.042 0.364 19604 3884 1 6 . 1 1 90 90 ARG H H 90 7.775 7.775 7.439 0.336 19604 3885 1 6 . 1 1 91 91 VAL N N 91 118.161 118.161 117.887 0.274 19604 3886 1 6 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.615 -0.091 19604 3887 1 6 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.394 0.202 19604 3888 1 6 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.710 -0.166 19604 3889 1 6 . 1 1 91 91 VAL H H 91 7.484 7.484 7.161 0.323 19604 3890 1 6 . 1 1 92 92 PHE N N 92 117.398 117.398 114.145 3.253 19604 3891 1 6 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.311 -0.033 19604 3892 1 6 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.205 1.476 19604 3893 1 6 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.669 1.185 19604 3894 1 6 . 1 1 92 92 PHE H H 92 7.544 7.544 7.247 0.297 19604 3895 1 6 . 1 1 93 93 ASP N N 93 117.503 117.503 120.127 -2.624 19604 3896 1 6 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.327 0.214 19604 3897 1 6 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.492 -2.310 19604 3898 1 6 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.015 -1.588 19604 3899 1 6 . 1 1 93 93 ASP H H 93 7.963 7.963 7.748 0.215 19604 3900 1 6 . 1 1 94 94 LYS N N 94 125.976 125.976 125.145 0.831 19604 3901 1 6 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.094 -0.188 19604 3902 1 6 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.805 1.257 19604 3903 1 6 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.493 0.540 19604 3904 1 6 . 1 1 94 94 LYS H H 94 7.585 7.585 8.177 -0.592 19604 3905 1 6 . 1 1 95 95 ASP N N 95 114.100 114.100 115.516 -1.416 19604 3906 1 6 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.499 0.055 19604 3907 1 6 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.723 -0.657 19604 3908 1 6 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.247 -0.498 19604 3909 1 6 . 1 1 95 95 ASP H H 95 8.186 8.186 8.116 0.070 19604 3910 1 6 . 1 1 96 96 GLY N N 96 109.383 109.383 107.986 1.397 19604 3911 1 6 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.182 0.966 19604 3912 1 6 . 1 1 96 96 GLY H H 96 7.809 7.809 7.738 0.071 19604 3913 1 6 . 1 1 97 97 ASN N N 97 119.744 119.744 119.458 0.286 19604 3914 1 6 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.664 -0.018 19604 3915 1 6 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.839 -0.184 19604 3916 1 6 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.943 -0.754 19604 3917 1 6 . 1 1 97 97 ASN H H 97 8.336 8.336 8.437 -0.101 19604 3918 1 6 . 1 1 98 98 GLY N N 98 112.937 112.937 107.638 5.299 19604 3919 1 6 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.560 -0.528 19604 3920 1 6 . 1 1 98 98 GLY H H 98 10.653 10.653 8.685 1.968 19604 3921 1 6 . 1 1 99 99 TYR N N 99 115.956 115.956 118.353 -2.397 19604 3922 1 6 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.016 0.045 19604 3923 1 6 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.767 -1.578 19604 3924 1 6 . 1 1 99 99 TYR CB C 99 43.044 43.044 41.898 1.146 19604 3925 1 6 . 1 1 99 99 TYR H H 99 7.630 7.630 8.552 -0.922 19604 3926 1 6 . 1 1 100 100 ILE N N 100 127.360 127.360 125.101 2.259 19604 3927 1 6 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.544 0.240 19604 3928 1 6 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.614 0.405 19604 3929 1 6 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.387 -0.402 19604 3930 1 6 . 1 1 100 100 ILE H H 100 10.174 10.174 9.097 1.077 19604 3931 1 6 . 1 1 101 101 SER N N 101 124.117 124.117 122.820 1.297 19604 3932 1 6 . 1 1 101 101 SER HA H 101 4.885 4.885 4.975 -0.090 19604 3933 1 6 . 1 1 101 101 SER CA C 101 55.722 55.722 56.097 -0.375 19604 3934 1 6 . 1 1 101 101 SER CB C 101 66.631 66.631 65.948 0.683 19604 3935 1 6 . 1 1 101 101 SER H H 101 8.977 8.977 8.012 0.965 19604 3936 1 6 . 1 1 102 102 ALA N N 102 123.057 123.057 123.021 0.036 19604 3937 1 6 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.160 -0.236 19604 3938 1 6 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.104 0.850 19604 3939 1 6 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.510 -0.619 19604 3940 1 6 . 1 1 102 102 ALA H H 102 9.261 9.261 8.877 0.384 19604 3941 1 6 . 1 1 103 103 ALA N N 103 118.685 118.685 120.876 -2.191 19604 3942 1 6 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.983 0.041 19604 3943 1 6 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.625 0.594 19604 3944 1 6 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.446 -0.131 19604 3945 1 6 . 1 1 103 103 ALA H H 103 8.271 8.271 8.065 0.206 19604 3946 1 6 . 1 1 104 104 GLU N N 104 119.737 119.737 118.981 0.756 19604 3947 1 6 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.011 0.026 19604 3948 1 6 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.058 0.192 19604 3949 1 6 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.611 -0.395 19604 3950 1 6 . 1 1 104 104 GLU H H 104 7.857 7.857 7.613 0.244 19604 3951 1 6 . 1 1 105 105 LEU N N 105 122.037 122.037 120.123 1.914 19604 3952 1 6 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.996 0.040 19604 3953 1 6 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.855 0.197 19604 3954 1 6 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.959 0.155 19604 3955 1 6 . 1 1 105 105 LEU H H 105 8.685 8.685 7.933 0.752 19604 3956 1 6 . 1 1 106 106 ARG N N 106 118.484 118.484 117.004 1.480 19604 3957 1 6 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.957 -0.249 19604 3958 1 6 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.289 0.741 19604 3959 1 6 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.797 0.519 19604 3960 1 6 . 1 1 106 106 ARG H H 106 8.682 8.682 7.537 1.145 19604 3961 1 6 . 1 1 107 107 HIS N N 107 118.917 118.917 119.411 -0.494 19604 3962 1 6 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.405 -0.109 19604 3963 1 6 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.622 0.220 19604 3964 1 6 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.734 0.842 19604 3965 1 6 . 1 1 107 107 HIS H H 107 7.803 7.803 8.008 -0.205 19604 3966 1 6 . 1 1 108 108 VAL N N 108 119.662 119.662 119.978 -0.316 19604 3967 1 6 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.787 -0.329 19604 3968 1 6 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.284 0.168 19604 3969 1 6 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.311 0.282 19604 3970 1 6 . 1 1 108 108 VAL H H 108 7.887 7.887 7.554 0.333 19604 3971 1 6 . 1 1 109 109 MET N N 109 115.981 115.981 118.097 -2.116 19604 3972 1 6 . 1 1 109 109 MET HA H 109 4.296 4.296 4.265 0.031 19604 3973 1 6 . 1 1 109 109 MET CA C 109 57.062 57.062 57.419 -0.356 19604 3974 1 6 . 1 1 109 109 MET H H 109 8.128 8.128 7.611 0.517 19604 3975 1 6 . 1 1 110 110 THR N N 110 116.866 116.866 112.287 4.579 19604 3976 1 6 . 1 1 110 110 THR HA H 110 4.080 4.080 3.877 0.203 19604 3977 1 6 . 1 1 110 110 THR CA C 110 66.402 66.402 65.703 0.699 19604 3978 1 6 . 1 1 110 110 THR CB C 110 68.574 68.574 68.109 0.465 19604 3979 1 6 . 1 1 110 110 THR H H 110 8.302 8.302 8.385 -0.083 19604 3980 1 6 . 1 1 111 111 ASN N N 111 122.811 122.811 118.494 4.317 19604 3981 1 6 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.537 -0.092 19604 3982 1 6 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.746 1.065 19604 3983 1 6 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.321 -0.346 19604 3984 1 6 . 1 1 111 111 ASN H H 111 7.849 7.849 7.573 0.276 19604 3985 1 6 . 1 1 112 112 LEU N N 112 118.869 118.869 119.572 -0.703 19604 3986 1 6 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.271 0.074 19604 3987 1 6 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.750 -0.659 19604 3988 1 6 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.040 0.040 19604 3989 1 6 . 1 1 112 112 LEU H H 112 7.666 7.666 7.699 -0.033 19604 3990 1 6 . 1 1 113 113 GLY N N 113 107.124 107.124 106.648 0.476 19604 3991 1 6 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.580 0.836 19604 3992 1 6 . 1 1 113 113 GLY H H 113 7.818 7.818 7.589 0.229 19604 3993 1 6 . 1 1 114 114 GLU N N 114 120.113 120.113 121.039 -0.926 19604 3994 1 6 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.511 -0.084 19604 3995 1 6 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.523 0.073 19604 3996 1 6 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.183 -0.473 19604 3997 1 6 . 1 1 114 114 GLU H H 114 7.895 7.895 7.744 0.151 19604 3998 1 6 . 1 1 115 115 LYS N N 115 124.920 124.920 124.959 -0.039 19604 3999 1 6 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.349 0.031 19604 4000 1 6 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.063 -0.670 19604 4001 1 6 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.903 -0.858 19604 4002 1 6 . 1 1 115 115 LYS H H 115 8.583 8.583 8.564 0.019 19604 4003 1 6 . 1 1 116 116 LEU N N 116 124.979 124.979 126.209 -1.230 19604 4004 1 6 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.604 0.163 19604 4005 1 6 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.788 0.293 19604 4006 1 6 . 1 1 116 116 LEU CB C 116 44.532 44.532 43.515 1.017 19604 4007 1 6 . 1 1 116 116 LEU H H 116 8.082 8.082 8.478 -0.396 19604 4008 1 6 . 1 1 117 117 THR N N 117 114.448 114.448 114.175 0.273 19604 4009 1 6 . 1 1 117 117 THR HA H 117 4.452 4.452 4.429 0.023 19604 4010 1 6 . 1 1 117 117 THR CA C 117 60.690 60.690 60.490 0.200 19604 4011 1 6 . 1 1 117 117 THR CB C 117 71.051 71.051 70.653 0.398 19604 4012 1 6 . 1 1 117 117 THR H H 117 9.172 9.172 8.325 0.847 19604 4013 1 6 . 1 1 118 118 ASP N N 118 121.175 121.175 120.450 0.725 19604 4014 1 6 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.308 -0.095 19604 4015 1 6 . 1 1 118 118 ASP CA C 118 57.992 57.992 57.795 0.197 19604 4016 1 6 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.318 -0.648 19604 4017 1 6 . 1 1 118 118 ASP H H 118 8.889 8.889 8.874 0.015 19604 4018 1 6 . 1 1 119 119 GLU N N 119 119.386 119.386 118.641 0.745 19604 4019 1 6 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.159 -0.071 19604 4020 1 6 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.736 1.277 19604 4021 1 6 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.546 -0.374 19604 4022 1 6 . 1 1 119 119 GLU H H 119 8.665 8.665 8.283 0.382 19604 4023 1 6 . 1 1 120 120 GLU N N 120 120.564 120.564 120.155 0.409 19604 4024 1 6 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.139 -0.157 19604 4025 1 6 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.300 -0.049 19604 4026 1 6 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.487 1.273 19604 4027 1 6 . 1 1 120 120 GLU H H 120 7.715 7.715 7.479 0.236 19604 4028 1 6 . 1 1 121 121 VAL N N 121 120.955 120.955 118.806 2.149 19604 4029 1 6 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.763 -0.307 19604 4030 1 6 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.876 1.005 19604 4031 1 6 . 1 1 121 121 VAL CB C 121 31.330 31.330 30.845 0.485 19604 4032 1 6 . 1 1 121 121 VAL H H 121 8.050 8.050 8.406 -0.356 19604 4033 1 6 . 1 1 122 122 ASP N N 122 120.016 120.016 119.748 0.268 19604 4034 1 6 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.293 0.070 19604 4035 1 6 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.688 0.026 19604 4036 1 6 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.574 -0.121 19604 4037 1 6 . 1 1 122 122 ASP H H 122 7.980 7.980 7.662 0.318 19604 4038 1 6 . 1 1 123 123 GLU N N 123 119.913 119.913 118.955 0.958 19604 4039 1 6 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.037 0.008 19604 4040 1 6 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.382 -0.077 19604 4041 1 6 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.473 -0.194 19604 4042 1 6 . 1 1 123 123 GLU H H 123 8.033 8.033 7.717 0.316 19604 4043 1 6 . 1 1 124 124 MET N N 124 119.642 119.642 118.369 1.273 19604 4044 1 6 . 1 1 124 124 MET HA H 124 4.175 4.175 4.067 0.108 19604 4045 1 6 . 1 1 124 124 MET CA C 124 60.420 60.420 59.383 1.037 19604 4046 1 6 . 1 1 124 124 MET CB C 124 33.408 33.408 32.599 0.809 19604 4047 1 6 . 1 1 124 124 MET H H 124 7.930 7.930 7.284 0.646 19604 4048 1 6 . 1 1 125 125 ILE N N 125 119.663 119.663 119.030 0.633 19604 4049 1 6 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.707 0.002 19604 4050 1 6 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.135 0.204 19604 4051 1 6 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.496 -0.161 19604 4052 1 6 . 1 1 125 125 ILE H H 125 8.147 8.147 8.116 0.031 19604 4053 1 6 . 1 1 126 126 ARG N N 126 118.998 118.998 118.826 0.172 19604 4054 1 6 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.946 0.126 19604 4055 1 6 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.488 0.340 19604 4056 1 6 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.242 0.089 19604 4057 1 6 . 1 1 126 126 ARG H H 126 8.431 8.431 8.275 0.156 19604 4058 1 6 . 1 1 127 127 GLU N N 127 116.058 116.058 118.492 -2.434 19604 4059 1 6 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.170 -0.186 19604 4060 1 6 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.570 0.235 19604 4061 1 6 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.824 -0.018 19604 4062 1 6 . 1 1 127 127 GLU H H 127 7.899 7.899 7.692 0.207 19604 4063 1 6 . 1 1 128 128 ALA N N 128 117.702 117.702 119.664 -1.962 19604 4064 1 6 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.121 0.332 19604 4065 1 6 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.496 -1.776 19604 4066 1 6 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.231 3.155 19604 4067 1 6 . 1 1 128 128 ALA H H 128 7.222 7.222 7.504 -0.282 19604 4068 1 6 . 1 1 129 129 ASP N N 129 117.996 117.996 119.263 -1.267 19604 4069 1 6 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.719 -0.222 19604 4070 1 6 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.075 0.261 19604 4071 1 6 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.621 1.060 19604 4072 1 6 . 1 1 129 129 ASP H H 129 7.947 7.947 8.046 -0.099 19604 4073 1 6 . 1 1 130 130 ILE N N 130 128.199 128.199 124.378 3.821 19604 4074 1 6 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.854 0.054 19604 4075 1 6 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.570 -0.137 19604 4076 1 6 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.545 0.193 19604 4077 1 6 . 1 1 130 130 ILE H H 130 8.399 8.399 8.092 0.307 19604 4078 1 6 . 1 1 131 131 ASP N N 131 116.628 116.628 117.621 -0.993 19604 4079 1 6 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.499 0.014 19604 4080 1 6 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.868 -0.040 19604 4081 1 6 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.360 -0.371 19604 4082 1 6 . 1 1 131 131 ASP H H 131 8.258 8.258 8.334 -0.076 19604 4083 1 6 . 1 1 132 132 GLY N N 132 108.616 108.616 108.494 0.122 19604 4084 1 6 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.061 1.466 19604 4085 1 6 . 1 1 132 132 GLY H H 132 7.559 7.559 7.691 -0.132 19604 4086 1 6 . 1 1 133 133 ASP N N 133 120.901 120.901 119.821 1.080 19604 4087 1 6 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.571 -0.093 19604 4088 1 6 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.622 0.031 19604 4089 1 6 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.383 -1.112 19604 4090 1 6 . 1 1 133 133 ASP H H 133 8.340 8.340 8.724 -0.384 19604 4091 1 6 . 1 1 134 134 GLY N N 134 112.918 112.918 108.871 4.047 19604 4092 1 6 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.967 0.901 19604 4093 1 6 . 1 1 134 134 GLY H H 134 10.366 10.366 8.822 1.544 19604 4094 1 6 . 1 1 135 135 GLN N N 135 115.297 115.297 117.955 -2.658 19604 4095 1 6 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.632 0.285 19604 4096 1 6 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.878 -1.651 19604 4097 1 6 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.370 -1.028 19604 4098 1 6 . 1 1 135 135 GLN H H 135 8.012 8.012 8.601 -0.589 19604 4099 1 6 . 1 1 136 136 VAL N N 136 125.463 125.463 121.893 3.570 19604 4100 1 6 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.980 0.238 19604 4101 1 6 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.680 0.983 19604 4102 1 6 . 1 1 136 136 VAL CB C 136 33.758 33.758 31.909 1.849 19604 4103 1 6 . 1 1 136 136 VAL H H 136 9.133 9.133 8.715 0.418 19604 4104 1 6 . 1 1 137 137 ASN N N 137 129.402 129.402 126.163 3.239 19604 4105 1 6 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.676 0.623 19604 4106 1 6 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.634 0.392 19604 4107 1 6 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.495 -1.210 19604 4108 1 6 . 1 1 137 137 ASN H H 137 9.634 9.634 8.764 0.870 19604 4109 1 6 . 1 1 138 138 TYR N N 138 118.585 118.585 122.453 -3.868 19604 4110 1 6 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.520 -0.178 19604 4111 1 6 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.753 -0.236 19604 4112 1 6 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.098 -0.402 19604 4113 1 6 . 1 1 138 138 TYR H H 138 8.400 8.400 8.576 -0.176 19604 4114 1 6 . 1 1 139 139 GLU N N 139 118.692 118.692 118.995 -0.303 19604 4115 1 6 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.643 -0.025 19604 4116 1 6 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.899 0.415 19604 4117 1 6 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.146 -0.146 19604 4118 1 6 . 1 1 139 139 GLU H H 139 8.095 8.095 8.571 -0.476 19604 4119 1 6 . 1 1 140 140 GLU N N 140 119.980 119.980 119.066 0.914 19604 4120 1 6 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.112 -0.207 19604 4121 1 6 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.993 -0.461 19604 4122 1 6 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.838 -0.131 19604 4123 1 6 . 1 1 140 140 GLU H H 140 8.759 8.759 8.376 0.383 19604 4124 1 6 . 1 1 141 141 PHE N N 141 123.408 123.408 121.603 1.805 19604 4125 1 6 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.222 -0.491 19604 4126 1 6 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.455 0.528 19604 4127 1 6 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.602 0.571 19604 4128 1 6 . 1 1 141 141 PHE H H 141 8.639 8.639 8.468 0.171 19604 4129 1 6 . 1 1 142 142 VAL N N 142 119.839 119.839 118.541 1.298 19604 4130 1 6 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.515 -0.471 19604 4131 1 6 . 1 1 142 142 VAL CA C 142 67.118 67.118 67.069 0.049 19604 4132 1 6 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.689 0.826 19604 4133 1 6 . 1 1 142 142 VAL H H 142 8.781 8.781 8.588 0.193 19604 4134 1 6 . 1 1 143 143 GLN N N 143 118.240 118.240 118.789 -0.549 19604 4135 1 6 . 1 1 143 143 GLN HA H 143 3.802 3.802 4.030 -0.228 19604 4136 1 6 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.423 0.394 19604 4137 1 6 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.636 -0.461 19604 4138 1 6 . 1 1 143 143 GLN H H 143 7.491 7.491 7.402 0.089 19604 4139 1 6 . 1 1 144 144 MET N N 144 116.028 116.028 118.124 -2.096 19604 4140 1 6 . 1 1 144 144 MET HA H 144 4.145 4.145 4.237 -0.092 19604 4141 1 6 . 1 1 144 144 MET CA C 144 55.939 55.939 56.721 -0.782 19604 4142 1 6 . 1 1 144 144 MET CB C 144 31.345 31.345 32.426 -1.081 19604 4143 1 6 . 1 1 144 144 MET H H 144 7.176 7.176 7.947 -0.771 19604 4144 1 6 . 1 1 145 145 MET N N 145 116.272 116.272 115.736 0.536 19604 4145 1 6 . 1 1 145 145 MET HA H 145 4.301 4.301 4.355 -0.054 19604 4146 1 6 . 1 1 145 145 MET CA C 145 55.416 55.416 57.207 -1.791 19604 4147 1 6 . 1 1 145 145 MET CB C 145 32.831 32.831 33.227 -0.396 19604 4148 1 6 . 1 1 145 145 MET H H 145 7.831 7.831 7.366 0.465 19604 4149 1 6 . 1 1 146 146 THR N N 146 110.389 110.389 114.119 -3.730 19604 4150 1 6 . 1 1 146 146 THR HA H 146 4.308 4.308 4.090 0.218 19604 4151 1 6 . 1 1 146 146 THR CA C 146 61.942 61.942 64.291 -2.349 19604 4152 1 6 . 1 1 146 146 THR CB C 146 70.244 70.244 69.462 0.782 19604 4153 1 6 . 1 1 146 146 THR H H 146 7.474 7.474 7.893 -0.419 19604 4154 1 6 . 1 1 147 147 ALA N N 147 126.864 126.864 122.248 4.616 19604 4155 1 6 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.448 -0.240 19604 4156 1 6 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.658 0.340 19604 4157 1 6 . 1 1 147 147 ALA CB C 147 19.116 19.116 20.189 -1.073 19604 4158 1 6 . 1 1 147 147 ALA H H 147 7.622 7.622 7.653 -0.031 19604 4159 1 7 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.752 -0.112 19604 4160 1 7 . 1 1 2 2 ASP CA C 2 54.613 54.613 55.147 -0.534 19604 4161 1 7 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.084 0.267 19604 4162 1 7 . 1 1 3 3 GLN N N 3 120.300 120.300 119.024 1.276 19604 4163 1 7 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.397 -0.024 19604 4164 1 7 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.630 -0.133 19604 4165 1 7 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.525 0.253 19604 4166 1 7 . 1 1 3 3 GLN H H 3 8.388 8.388 8.000 0.388 19604 4167 1 7 . 1 1 4 4 LEU N N 4 123.525 123.525 119.539 3.986 19604 4168 1 7 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.701 -0.014 19604 4169 1 7 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.434 -0.075 19604 4170 1 7 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.368 0.285 19604 4171 1 7 . 1 1 4 4 LEU H H 4 8.299 8.299 8.441 -0.142 19604 4172 1 7 . 1 1 5 5 THR N N 5 113.299 113.299 112.506 0.793 19604 4173 1 7 . 1 1 5 5 THR HA H 5 4.476 4.476 4.551 -0.075 19604 4174 1 7 . 1 1 5 5 THR CA C 5 60.463 60.463 60.291 0.172 19604 4175 1 7 . 1 1 5 5 THR CB C 5 71.250 71.250 71.599 -0.349 19604 4176 1 7 . 1 1 5 5 THR H H 5 8.651 8.651 7.970 0.681 19604 4177 1 7 . 1 1 6 6 GLU N N 6 120.620 120.620 120.963 -0.343 19604 4178 1 7 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.042 -0.067 19604 4179 1 7 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.010 -0.075 19604 4180 1 7 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.665 -0.466 19604 4181 1 7 . 1 1 6 6 GLU H H 6 9.014 9.014 8.915 0.099 19604 4182 1 7 . 1 1 7 7 GLU N N 7 119.586 119.586 118.725 0.861 19604 4183 1 7 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.039 0.029 19604 4184 1 7 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.042 0.901 19604 4185 1 7 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.552 -0.474 19604 4186 1 7 . 1 1 7 7 GLU H H 7 8.713 8.713 7.854 0.859 19604 4187 1 7 . 1 1 8 8 GLN N N 8 120.413 120.413 119.291 1.122 19604 4188 1 7 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.320 -0.495 19604 4189 1 7 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.147 0.628 19604 4190 1 7 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.748 0.712 19604 4191 1 7 . 1 1 8 8 GLN H H 8 7.719 7.719 7.630 0.089 19604 4192 1 7 . 1 1 9 9 ILE N N 9 119.362 119.362 120.692 -1.330 19604 4193 1 7 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.996 -0.328 19604 4194 1 7 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.932 1.303 19604 4195 1 7 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.746 0.075 19604 4196 1 7 . 1 1 9 9 ILE H H 9 8.267 8.267 8.415 -0.148 19604 4197 1 7 . 1 1 10 10 ALA N N 10 121.321 121.321 122.120 -0.799 19604 4198 1 7 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.975 0.143 19604 4199 1 7 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.814 -0.417 19604 4200 1 7 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.938 -0.142 19604 4201 1 7 . 1 1 10 10 ALA H H 10 8.023 8.023 8.281 -0.258 19604 4202 1 7 . 1 1 11 11 GLU N N 11 119.865 119.865 118.679 1.186 19604 4203 1 7 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.013 0.128 19604 4204 1 7 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.966 0.445 19604 4205 1 7 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.386 -0.178 19604 4206 1 7 . 1 1 11 11 GLU H H 11 7.761 7.761 7.755 0.006 19604 4207 1 7 . 1 1 12 12 PHE N N 12 119.971 119.971 119.048 0.923 19604 4208 1 7 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.289 0.734 19604 4209 1 7 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.822 -2.110 19604 4210 1 7 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.702 -1.185 19604 4211 1 7 . 1 1 12 12 PHE H H 12 8.479 8.479 7.520 0.959 19604 4212 1 7 . 1 1 13 13 LYS N N 13 123.604 123.604 119.302 4.302 19604 4213 1 7 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.211 -0.237 19604 4214 1 7 . 1 1 13 13 LYS CA C 13 59.956 59.956 59.474 0.482 19604 4215 1 7 . 1 1 13 13 LYS CB C 13 31.778 31.778 31.949 -0.171 19604 4216 1 7 . 1 1 13 13 LYS H H 13 9.222 9.222 8.838 0.384 19604 4217 1 7 . 1 1 14 14 GLU N N 14 120.976 120.976 118.674 2.302 19604 4218 1 7 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.174 -0.061 19604 4219 1 7 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.062 0.500 19604 4220 1 7 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.566 -0.151 19604 4221 1 7 . 1 1 14 14 GLU H H 14 7.924 7.924 8.012 -0.088 19604 4222 1 7 . 1 1 15 15 ALA N N 15 122.303 122.303 122.027 0.276 19604 4223 1 7 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.126 0.198 19604 4224 1 7 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.726 0.412 19604 4225 1 7 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.497 -0.495 19604 4226 1 7 . 1 1 15 15 ALA H H 15 7.990 7.990 7.720 0.270 19604 4227 1 7 . 1 1 16 16 PHE N N 16 119.011 119.011 119.305 -0.294 19604 4228 1 7 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.954 -0.684 19604 4229 1 7 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.106 1.882 19604 4230 1 7 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.651 0.255 19604 4231 1 7 . 1 1 16 16 PHE H H 16 8.666 8.666 8.120 0.546 19604 4232 1 7 . 1 1 17 17 SER N N 17 113.988 113.988 114.598 -0.610 19604 4233 1 7 . 1 1 17 17 SER HA H 17 4.086 4.086 3.925 0.161 19604 4234 1 7 . 1 1 17 17 SER CA C 17 61.532 61.532 61.232 0.300 19604 4235 1 7 . 1 1 17 17 SER CB C 17 62.921 62.921 63.128 -0.207 19604 4236 1 7 . 1 1 17 17 SER H H 17 8.202 8.202 8.112 0.090 19604 4237 1 7 . 1 1 18 18 LEU N N 18 120.913 120.913 120.059 0.854 19604 4238 1 7 . 1 1 18 18 LEU HA H 18 3.950 3.950 3.971 -0.021 19604 4239 1 7 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.056 0.431 19604 4240 1 7 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.870 -0.347 19604 4241 1 7 . 1 1 18 18 LEU H H 18 7.280 7.280 7.246 0.034 19604 4242 1 7 . 1 1 19 19 PHE N N 19 113.613 113.613 113.241 0.372 19604 4243 1 7 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.168 -0.136 19604 4244 1 7 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.016 0.390 19604 4245 1 7 . 1 1 19 19 PHE CB C 19 41.557 41.557 38.909 2.648 19604 4246 1 7 . 1 1 19 19 PHE H H 19 7.070 7.070 7.054 0.016 19604 4247 1 7 . 1 1 20 20 ASP N N 20 117.393 117.393 119.174 -1.781 19604 4248 1 7 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.499 0.094 19604 4249 1 7 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.502 -1.034 19604 4250 1 7 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.244 -0.948 19604 4251 1 7 . 1 1 20 20 ASP H H 20 7.790 7.790 7.374 0.416 19604 4252 1 7 . 1 1 21 21 LYS N N 21 124.292 124.292 123.699 0.593 19604 4253 1 7 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.019 -0.041 19604 4254 1 7 . 1 1 21 21 LYS CA C 21 58.320 58.320 57.944 0.376 19604 4255 1 7 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.722 -0.049 19604 4256 1 7 . 1 1 21 21 LYS H H 21 7.707 7.707 8.104 -0.397 19604 4257 1 7 . 1 1 22 22 ASP N N 22 114.139 114.139 115.185 -1.046 19604 4258 1 7 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.494 0.086 19604 4259 1 7 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.865 -1.075 19604 4260 1 7 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.114 -0.548 19604 4261 1 7 . 1 1 22 22 ASP H H 22 8.025 8.025 8.328 -0.303 19604 4262 1 7 . 1 1 23 23 GLY N N 23 109.378 109.378 108.457 0.921 19604 4263 1 7 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.233 0.983 19604 4264 1 7 . 1 1 23 23 GLY H H 23 7.661 7.661 7.799 -0.138 19604 4265 1 7 . 1 1 24 24 ASP N N 24 121.022 121.022 119.799 1.223 19604 4266 1 7 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.509 0.006 19604 4267 1 7 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.622 0.056 19604 4268 1 7 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.620 -1.117 19604 4269 1 7 . 1 1 24 24 ASP H H 24 8.466 8.466 8.339 0.127 19604 4270 1 7 . 1 1 25 25 GLY N N 25 112.810 112.810 109.307 3.503 19604 4271 1 7 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.313 0.033 19604 4272 1 7 . 1 1 25 25 GLY H H 25 10.507 10.507 9.179 1.328 19604 4273 1 7 . 1 1 26 26 THR N N 26 112.094 112.094 113.859 -1.765 19604 4274 1 7 . 1 1 26 26 THR HA H 26 5.431 5.431 5.279 0.152 19604 4275 1 7 . 1 1 26 26 THR CA C 26 59.576 59.576 60.304 -0.728 19604 4276 1 7 . 1 1 26 26 THR CB C 26 72.730 72.730 71.299 1.431 19604 4277 1 7 . 1 1 26 26 THR H H 26 8.191 8.191 8.391 -0.200 19604 4278 1 7 . 1 1 27 27 ILE N N 27 126.447 126.447 127.599 -1.152 19604 4279 1 7 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.818 -0.051 19604 4280 1 7 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.419 0.711 19604 4281 1 7 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.977 1.011 19604 4282 1 7 . 1 1 27 27 ILE H H 27 9.845 9.845 9.159 0.686 19604 4283 1 7 . 1 1 28 28 THR N N 28 116.315 116.315 118.041 -1.726 19604 4284 1 7 . 1 1 28 28 THR HA H 28 4.894 4.894 4.901 -0.007 19604 4285 1 7 . 1 1 28 28 THR CA C 28 59.217 59.217 59.528 -0.311 19604 4286 1 7 . 1 1 28 28 THR CB C 28 72.480 72.480 71.502 0.978 19604 4287 1 7 . 1 1 28 28 THR H H 28 8.322 8.322 9.160 -0.838 19604 4288 1 7 . 1 1 29 29 THR N N 29 112.270 112.270 112.883 -0.613 19604 4289 1 7 . 1 1 29 29 THR HA H 29 3.790 3.790 3.990 -0.200 19604 4290 1 7 . 1 1 29 29 THR CA C 29 66.207 66.207 66.475 -0.268 19604 4291 1 7 . 1 1 29 29 THR CB C 29 67.737 67.737 68.341 -0.604 19604 4292 1 7 . 1 1 29 29 THR H H 29 9.251 9.251 8.802 0.449 19604 4293 1 7 . 1 1 30 30 LYS N N 30 121.127 121.127 122.014 -0.887 19604 4294 1 7 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.180 -0.062 19604 4295 1 7 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.906 0.351 19604 4296 1 7 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.079 0.454 19604 4297 1 7 . 1 1 30 30 LYS H H 30 7.569 7.569 7.668 -0.099 19604 4298 1 7 . 1 1 31 31 GLU N N 31 121.876 121.876 119.949 1.927 19604 4299 1 7 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.049 -0.033 19604 4300 1 7 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.331 0.126 19604 4301 1 7 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.545 0.006 19604 4302 1 7 . 1 1 31 31 GLU H H 31 7.715 7.715 7.642 0.073 19604 4303 1 7 . 1 1 32 32 LEU N N 32 120.674 120.674 121.045 -0.371 19604 4304 1 7 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.130 0.064 19604 4305 1 7 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.264 0.923 19604 4306 1 7 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.035 0.121 19604 4307 1 7 . 1 1 32 32 LEU H H 32 8.592 8.592 8.256 0.336 19604 4308 1 7 . 1 1 33 33 GLY N N 33 106.859 106.859 105.361 1.498 19604 4309 1 7 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.517 0.710 19604 4310 1 7 . 1 1 33 33 GLY H H 33 8.861 8.861 8.390 0.471 19604 4311 1 7 . 1 1 34 34 THR N N 34 118.512 118.512 118.334 0.178 19604 4312 1 7 . 1 1 34 34 THR HA H 34 3.935 3.935 4.014 -0.079 19604 4313 1 7 . 1 1 34 34 THR CA C 34 66.964 66.964 67.073 -0.109 19604 4314 1 7 . 1 1 34 34 THR CB C 34 68.610 68.610 68.561 0.049 19604 4315 1 7 . 1 1 34 34 THR H H 34 7.965 7.965 7.762 0.203 19604 4316 1 7 . 1 1 35 35 VAL N N 35 122.456 122.456 121.548 0.908 19604 4317 1 7 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.692 -0.121 19604 4318 1 7 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.059 0.500 19604 4319 1 7 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.268 0.263 19604 4320 1 7 . 1 1 35 35 VAL H H 35 7.532 7.532 7.499 0.033 19604 4321 1 7 . 1 1 36 36 MET N N 36 118.015 118.015 117.535 0.480 19604 4322 1 7 . 1 1 36 36 MET HA H 36 3.899 3.899 4.059 -0.160 19604 4323 1 7 . 1 1 36 36 MET CA C 36 60.156 60.156 59.362 0.794 19604 4324 1 7 . 1 1 36 36 MET CB C 36 31.731 31.731 32.127 -0.396 19604 4325 1 7 . 1 1 36 36 MET H H 36 8.525 8.525 7.861 0.664 19604 4326 1 7 . 1 1 37 37 ARG N N 37 119.604 119.604 119.541 0.063 19604 4327 1 7 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.129 0.652 19604 4328 1 7 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.914 -0.658 19604 4329 1 7 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.867 -0.254 19604 4330 1 7 . 1 1 37 37 ARG H H 37 8.579 8.579 7.798 0.781 19604 4331 1 7 . 1 1 38 38 SER N N 38 119.543 119.543 115.101 4.442 19604 4332 1 7 . 1 1 38 38 SER HA H 38 4.396 4.396 4.316 0.080 19604 4333 1 7 . 1 1 38 38 SER CA C 38 61.758 61.758 60.818 0.940 19604 4334 1 7 . 1 1 38 38 SER CB C 38 62.691 62.691 62.823 -0.132 19604 4335 1 7 . 1 1 38 38 SER H H 38 7.939 7.939 7.828 0.111 19604 4336 1 7 . 1 1 39 39 LEU N N 39 120.454 120.454 119.891 0.563 19604 4337 1 7 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.408 0.033 19604 4338 1 7 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.536 -0.920 19604 4339 1 7 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.595 -0.465 19604 4340 1 7 . 1 1 39 39 LEU H H 39 7.394 7.394 7.536 -0.142 19604 4341 1 7 . 1 1 40 40 GLY N N 40 107.378 107.378 106.181 1.197 19604 4342 1 7 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.584 1.031 19604 4343 1 7 . 1 1 40 40 GLY H H 40 7.897 7.897 7.798 0.099 19604 4344 1 7 . 1 1 41 41 GLN N N 41 118.330 118.330 119.535 -1.205 19604 4345 1 7 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.532 -0.031 19604 4346 1 7 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.518 -0.200 19604 4347 1 7 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.898 -1.404 19604 4348 1 7 . 1 1 41 41 GLN H H 41 7.883 7.883 8.222 -0.339 19604 4349 1 7 . 1 1 42 42 ASN N N 42 116.488 116.488 122.125 -5.637 19604 4350 1 7 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.039 0.173 19604 4351 1 7 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.729 1.399 19604 4352 1 7 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.192 -0.021 19604 4353 1 7 . 1 1 42 42 ASN H H 42 8.697 8.697 8.666 0.031 19604 4354 1 7 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.699 0.085 19604 4355 1 7 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.759 -0.437 19604 4356 1 7 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.029 -0.751 19604 4357 1 7 . 1 1 44 44 THR N N 44 112.452 112.452 113.326 -0.874 19604 4358 1 7 . 1 1 44 44 THR HA H 44 4.461 4.461 4.492 -0.031 19604 4359 1 7 . 1 1 44 44 THR CA C 44 60.411 60.411 59.910 0.501 19604 4360 1 7 . 1 1 44 44 THR CB C 44 71.068 71.068 71.801 -0.733 19604 4361 1 7 . 1 1 44 44 THR H H 44 8.678 8.678 8.181 0.497 19604 4362 1 7 . 1 1 45 45 GLU N N 45 120.954 120.954 122.325 -1.371 19604 4363 1 7 . 1 1 45 45 GLU HA H 45 4.010 4.010 4.005 0.005 19604 4364 1 7 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.223 -0.340 19604 4365 1 7 . 1 1 45 45 GLU H H 45 8.803 8.803 9.032 -0.229 19604 4366 1 7 . 1 1 46 46 ALA N N 46 120.643 120.643 120.606 0.037 19604 4367 1 7 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.208 -0.091 19604 4368 1 7 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.390 0.623 19604 4369 1 7 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.154 0.019 19604 4370 1 7 . 1 1 46 46 ALA H H 46 8.272 8.272 8.197 0.075 19604 4371 1 7 . 1 1 47 47 GLU N N 47 119.059 119.059 120.213 -1.154 19604 4372 1 7 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.043 -0.008 19604 4373 1 7 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.009 0.154 19604 4374 1 7 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.703 0.223 19604 4375 1 7 . 1 1 47 47 GLU H H 47 7.686 7.686 7.694 -0.008 19604 4376 1 7 . 1 1 48 48 LEU N N 48 119.848 119.848 120.058 -0.210 19604 4377 1 7 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.922 0.103 19604 4378 1 7 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.146 -0.305 19604 4379 1 7 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.940 0.490 19604 4380 1 7 . 1 1 48 48 LEU H H 48 8.036 8.036 8.471 -0.435 19604 4381 1 7 . 1 1 49 49 GLN N N 49 118.226 118.226 117.667 0.559 19604 4382 1 7 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.911 -0.108 19604 4383 1 7 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.855 -0.294 19604 4384 1 7 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.873 0.369 19604 4385 1 7 . 1 1 49 49 GLN H H 49 8.323 8.323 7.932 0.391 19604 4386 1 7 . 1 1 50 50 ASP N N 50 119.928 119.928 119.899 0.029 19604 4387 1 7 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.450 -0.052 19604 4388 1 7 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.967 0.642 19604 4389 1 7 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.724 -0.091 19604 4390 1 7 . 1 1 50 50 ASP H H 50 8.147 8.147 7.570 0.577 19604 4391 1 7 . 1 1 51 51 MET N N 51 117.796 117.796 117.678 0.118 19604 4392 1 7 . 1 1 51 51 MET HA H 51 4.050 4.050 4.428 -0.378 19604 4393 1 7 . 1 1 51 51 MET CA C 51 59.555 59.555 58.739 0.816 19604 4394 1 7 . 1 1 51 51 MET CB C 51 32.846 32.846 32.956 -0.110 19604 4395 1 7 . 1 1 51 51 MET H H 51 7.814 7.814 7.580 0.234 19604 4396 1 7 . 1 1 52 52 ILE N N 52 118.474 118.474 118.889 -0.415 19604 4397 1 7 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.712 -0.113 19604 4398 1 7 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.358 -0.252 19604 4399 1 7 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.873 -0.815 19604 4400 1 7 . 1 1 52 52 ILE H H 52 7.685 7.685 8.233 -0.548 19604 4401 1 7 . 1 1 53 53 ASN N N 53 118.591 118.591 118.657 -0.066 19604 4402 1 7 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.397 0.020 19604 4403 1 7 . 1 1 53 53 ASN CA C 53 55.905 55.905 56.002 -0.097 19604 4404 1 7 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.287 -0.296 19604 4405 1 7 . 1 1 53 53 ASN H H 53 8.786 8.786 8.150 0.636 19604 4406 1 7 . 1 1 54 54 GLU N N 54 115.327 115.327 118.567 -3.240 19604 4407 1 7 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.016 0.032 19604 4408 1 7 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.629 0.448 19604 4409 1 7 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.507 1.418 19604 4410 1 7 . 1 1 54 54 GLU H H 54 7.368 7.368 7.867 -0.499 19604 4411 1 7 . 1 1 55 55 VAL N N 55 111.285 111.285 110.815 0.470 19604 4412 1 7 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.202 0.025 19604 4413 1 7 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.670 0.162 19604 4414 1 7 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.834 1.482 19604 4415 1 7 . 1 1 55 55 VAL H H 55 7.133 7.133 7.067 0.066 19604 4416 1 7 . 1 1 56 56 ASP N N 56 121.291 121.291 121.714 -0.423 19604 4417 1 7 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.865 -0.397 19604 4418 1 7 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.270 0.430 19604 4419 1 7 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.856 -0.273 19604 4420 1 7 . 1 1 56 56 ASP H H 56 7.567 7.567 7.803 -0.236 19604 4421 1 7 . 1 1 57 57 ALA N N 57 131.432 131.432 128.974 2.458 19604 4422 1 7 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.148 0.081 19604 4423 1 7 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.531 0.824 19604 4424 1 7 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.660 0.035 19604 4425 1 7 . 1 1 57 57 ALA H H 57 8.064 8.064 7.882 0.182 19604 4426 1 7 . 1 1 58 58 ASP N N 58 114.063 114.063 116.640 -2.577 19604 4427 1 7 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.562 0.075 19604 4428 1 7 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.602 -0.834 19604 4429 1 7 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.667 -0.819 19604 4430 1 7 . 1 1 58 58 ASP H H 58 8.211 8.211 8.147 0.064 19604 4431 1 7 . 1 1 59 59 GLY N N 59 108.646 108.646 109.227 -0.581 19604 4432 1 7 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.899 1.301 19604 4433 1 7 . 1 1 59 59 GLY H H 59 7.584 7.584 7.906 -0.322 19604 4434 1 7 . 1 1 60 60 ASN N N 60 118.886 118.886 118.472 0.414 19604 4435 1 7 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.762 -0.142 19604 4436 1 7 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.297 0.380 19604 4437 1 7 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.597 -2.018 19604 4438 1 7 . 1 1 60 60 ASN H H 60 8.162 8.162 8.606 -0.444 19604 4439 1 7 . 1 1 61 61 GLY N N 61 113.458 113.458 109.657 3.801 19604 4440 1 7 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.409 0.230 19604 4441 1 7 . 1 1 61 61 GLY H H 61 10.568 10.568 8.918 1.650 19604 4442 1 7 . 1 1 62 62 THR N N 62 108.490 108.490 110.589 -2.099 19604 4443 1 7 . 1 1 62 62 THR HA H 62 4.800 4.800 4.969 -0.169 19604 4444 1 7 . 1 1 62 62 THR CA C 62 59.327 59.327 59.895 -0.568 19604 4445 1 7 . 1 1 62 62 THR CB C 62 72.409 72.409 72.629 -0.220 19604 4446 1 7 . 1 1 62 62 THR H H 62 7.643 7.643 8.259 -0.616 19604 4447 1 7 . 1 1 63 63 ILE N N 63 123.350 123.350 122.858 0.492 19604 4448 1 7 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.711 0.503 19604 4449 1 7 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.657 -1.605 19604 4450 1 7 . 1 1 63 63 ILE CB C 63 39.605 39.605 39.131 0.474 19604 4451 1 7 . 1 1 63 63 ILE H H 63 8.544 8.544 8.485 0.059 19604 4452 1 7 . 1 1 64 64 ASP N N 64 128.480 128.480 127.451 1.029 19604 4453 1 7 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.172 0.335 19604 4454 1 7 . 1 1 64 64 ASP CA C 64 51.985 51.985 54.139 -2.154 19604 4455 1 7 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.665 -0.462 19604 4456 1 7 . 1 1 64 64 ASP H H 64 8.902 8.902 7.925 0.977 19604 4457 1 7 . 1 1 65 65 PHE N N 65 118.622 118.622 120.074 -1.452 19604 4458 1 7 . 1 1 65 65 PHE HA H 65 3.979 3.979 2.712 1.267 19604 4459 1 7 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.118 1.967 19604 4460 1 7 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.487 -0.585 19604 4461 1 7 . 1 1 65 65 PHE H H 65 8.967 8.967 8.420 0.547 19604 4462 1 7 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.599 0.289 19604 4463 1 7 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.813 2.037 19604 4464 1 7 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.637 0.163 19604 4465 1 7 . 1 1 67 67 GLU N N 67 118.243 118.243 119.116 -0.873 19604 4466 1 7 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.949 0.016 19604 4467 1 7 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.676 -0.631 19604 4468 1 7 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.973 0.901 19604 4469 1 7 . 1 1 67 67 GLU H H 67 8.420 8.420 8.133 0.287 19604 4470 1 7 . 1 1 68 68 PHE N N 68 124.020 124.020 119.633 4.387 19604 4471 1 7 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.270 -0.485 19604 4472 1 7 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.861 0.626 19604 4473 1 7 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.677 1.105 19604 4474 1 7 . 1 1 68 68 PHE H H 68 8.638 8.638 7.498 1.140 19604 4475 1 7 . 1 1 69 69 LEU N N 69 120.062 120.062 120.923 -0.861 19604 4476 1 7 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.843 -0.475 19604 4477 1 7 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.745 0.109 19604 4478 1 7 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.461 -0.076 19604 4479 1 7 . 1 1 69 69 LEU H H 69 8.972 8.972 7.332 1.640 19604 4480 1 7 . 1 1 70 70 THR N N 70 115.488 115.488 114.590 0.898 19604 4481 1 7 . 1 1 70 70 THR HA H 70 3.697 3.697 3.731 -0.034 19604 4482 1 7 . 1 1 70 70 THR CA C 70 66.558 66.558 66.199 0.359 19604 4483 1 7 . 1 1 70 70 THR CB C 70 68.396 68.396 68.522 -0.126 19604 4484 1 7 . 1 1 70 70 THR H H 70 7.855 7.855 8.216 -0.361 19604 4485 1 7 . 1 1 71 71 MET N N 71 119.627 119.627 120.328 -0.701 19604 4486 1 7 . 1 1 71 71 MET HA H 71 3.757 3.757 4.079 -0.322 19604 4487 1 7 . 1 1 71 71 MET CA C 71 58.334 58.334 58.505 -0.171 19604 4488 1 7 . 1 1 71 71 MET CB C 71 30.736 30.736 31.970 -1.234 19604 4489 1 7 . 1 1 71 71 MET H H 71 7.155 7.155 7.371 -0.216 19604 4490 1 7 . 1 1 72 72 MET N N 72 116.046 116.046 116.298 -0.252 19604 4491 1 7 . 1 1 72 72 MET HA H 72 3.977 3.977 4.264 -0.287 19604 4492 1 7 . 1 1 72 72 MET CA C 72 55.138 55.138 57.446 -2.308 19604 4493 1 7 . 1 1 72 72 MET CB C 72 29.103 29.103 32.588 -3.485 19604 4494 1 7 . 1 1 72 72 MET H H 72 7.646 7.646 7.477 0.169 19604 4495 1 7 . 1 1 73 73 ALA N N 73 120.685 120.685 122.230 -1.545 19604 4496 1 7 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.998 0.184 19604 4497 1 7 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.843 -1.743 19604 4498 1 7 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.099 1.193 19604 4499 1 7 . 1 1 73 73 ALA H H 73 8.080 8.080 8.021 0.059 19604 4500 1 7 . 1 1 74 74 ARG N N 74 118.501 118.501 118.666 -0.165 19604 4501 1 7 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.990 0.198 19604 4502 1 7 . 1 1 74 74 ARG CA C 74 56.977 56.977 59.071 -2.094 19604 4503 1 7 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.962 0.555 19604 4504 1 7 . 1 1 74 74 ARG H H 74 7.367 7.367 8.312 -0.945 19604 4505 1 7 . 1 1 76 76 MET HA H 76 4.413 4.413 4.153 0.260 19604 4506 1 7 . 1 1 76 76 MET CA C 76 55.804 55.804 57.900 -2.096 19604 4507 1 7 . 1 1 76 76 MET CB C 76 33.291 33.291 32.735 0.556 19604 4508 1 7 . 1 1 77 77 LYS N N 77 121.563 121.563 118.004 3.559 19604 4509 1 7 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.289 0.032 19604 4510 1 7 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.807 -0.390 19604 4511 1 7 . 1 1 77 77 LYS CB C 77 33.251 33.251 32.815 0.437 19604 4512 1 7 . 1 1 77 77 LYS H H 77 8.253 8.253 7.470 0.783 19604 4513 1 7 . 1 1 78 78 ASP N N 78 121.953 121.953 120.786 1.167 19604 4514 1 7 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.528 0.090 19604 4515 1 7 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.239 -0.384 19604 4516 1 7 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.436 0.680 19604 4517 1 7 . 1 1 78 78 ASP H H 78 8.362 8.362 8.249 0.113 19604 4518 1 7 . 1 1 79 79 THR N N 79 113.276 113.276 119.087 -5.811 19604 4519 1 7 . 1 1 79 79 THR HA H 79 4.305 4.305 4.555 -0.250 19604 4520 1 7 . 1 1 79 79 THR CA C 79 62.124 62.124 61.992 0.132 19604 4521 1 7 . 1 1 79 79 THR CB C 79 69.634 69.634 68.966 0.668 19604 4522 1 7 . 1 1 79 79 THR H H 79 8.014 8.014 8.260 -0.246 19604 4523 1 7 . 1 1 80 80 ASP N N 80 122.850 122.850 120.037 2.813 19604 4524 1 7 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.812 -0.137 19604 4525 1 7 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.110 0.545 19604 4526 1 7 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.493 -0.069 19604 4527 1 7 . 1 1 80 80 ASP H H 80 8.316 8.316 8.566 -0.250 19604 4528 1 7 . 1 1 81 81 SER N N 81 116.864 116.864 115.884 0.980 19604 4529 1 7 . 1 1 81 81 SER HA H 81 4.429 4.429 4.260 0.169 19604 4530 1 7 . 1 1 81 81 SER CA C 81 59.337 59.337 60.328 -0.991 19604 4531 1 7 . 1 1 81 81 SER CB C 81 63.672 63.672 63.192 0.480 19604 4532 1 7 . 1 1 81 81 SER H H 81 8.391 8.391 8.049 0.342 19604 4533 1 7 . 1 1 82 82 GLU N N 82 122.561 122.561 120.432 2.129 19604 4534 1 7 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.134 -0.061 19604 4535 1 7 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.373 -0.194 19604 4536 1 7 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.518 -0.006 19604 4537 1 7 . 1 1 82 82 GLU H H 82 8.479 8.479 8.635 -0.156 19604 4538 1 7 . 1 1 83 83 GLU N N 83 119.348 119.348 118.613 0.735 19604 4539 1 7 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.037 0.007 19604 4540 1 7 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.927 -0.280 19604 4541 1 7 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.111 0.420 19604 4542 1 7 . 1 1 83 83 GLU H H 83 8.279 8.279 8.645 -0.366 19604 4543 1 7 . 1 1 84 84 GLU N N 84 118.810 118.810 118.840 -0.030 19604 4544 1 7 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.122 -0.009 19604 4545 1 7 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.786 -0.309 19604 4546 1 7 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.347 0.322 19604 4547 1 7 . 1 1 84 84 GLU H H 84 8.062 8.062 7.775 0.287 19604 4548 1 7 . 1 1 85 85 ILE N N 85 122.019 122.019 120.481 1.538 19604 4549 1 7 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.960 -0.042 19604 4550 1 7 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.001 0.326 19604 4551 1 7 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.699 -0.271 19604 4552 1 7 . 1 1 85 85 ILE H H 85 8.008 8.008 7.322 0.686 19604 4553 1 7 . 1 1 86 86 ARG N N 86 121.851 121.851 119.589 2.262 19604 4554 1 7 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.113 0.053 19604 4555 1 7 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.999 0.027 19604 4556 1 7 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.048 -0.081 19604 4557 1 7 . 1 1 86 86 ARG H H 86 8.446 8.446 8.804 -0.358 19604 4558 1 7 . 1 1 87 87 GLU N N 87 118.621 118.621 119.992 -1.371 19604 4559 1 7 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.103 0.007 19604 4560 1 7 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.094 0.013 19604 4561 1 7 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.573 -0.147 19604 4562 1 7 . 1 1 87 87 GLU H H 87 8.149 8.149 7.583 0.566 19604 4563 1 7 . 1 1 88 88 ALA N N 88 121.741 121.741 122.497 -0.756 19604 4564 1 7 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.627 0.398 19604 4565 1 7 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.708 0.278 19604 4566 1 7 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.150 -0.426 19604 4567 1 7 . 1 1 88 88 ALA H H 88 7.880 7.880 7.651 0.229 19604 4568 1 7 . 1 1 89 89 PHE N N 89 118.057 118.057 118.828 -0.771 19604 4569 1 7 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.796 -0.647 19604 4570 1 7 . 1 1 89 89 PHE CA C 89 62.366 62.366 62.068 0.298 19604 4571 1 7 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.016 0.321 19604 4572 1 7 . 1 1 89 89 PHE H H 89 8.463 8.463 8.818 -0.355 19604 4573 1 7 . 1 1 90 90 ARG N N 90 115.723 115.723 117.407 -1.684 19604 4574 1 7 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.051 -0.159 19604 4575 1 7 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.515 0.373 19604 4576 1 7 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.731 0.675 19604 4577 1 7 . 1 1 90 90 ARG H H 90 7.775 7.775 7.586 0.189 19604 4578 1 7 . 1 1 91 91 VAL N N 91 118.161 118.161 116.588 1.573 19604 4579 1 7 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.700 -0.176 19604 4580 1 7 . 1 1 91 91 VAL CA C 91 65.596 65.596 64.808 0.788 19604 4581 1 7 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.586 -0.042 19604 4582 1 7 . 1 1 91 91 VAL H H 91 7.484 7.484 6.900 0.584 19604 4583 1 7 . 1 1 92 92 PHE N N 92 117.398 117.398 116.454 0.944 19604 4584 1 7 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.439 -0.161 19604 4585 1 7 . 1 1 92 92 PHE CA C 92 58.681 58.681 56.852 1.829 19604 4586 1 7 . 1 1 92 92 PHE CB C 92 39.854 39.854 39.014 0.840 19604 4587 1 7 . 1 1 92 92 PHE H H 92 7.544 7.544 7.518 0.026 19604 4588 1 7 . 1 1 93 93 ASP N N 93 117.503 117.503 120.615 -3.112 19604 4589 1 7 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.590 -0.049 19604 4590 1 7 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.183 -2.001 19604 4591 1 7 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.080 -1.653 19604 4592 1 7 . 1 1 93 93 ASP H H 93 7.963 7.963 7.869 0.094 19604 4593 1 7 . 1 1 94 94 LYS N N 94 125.976 125.976 125.332 0.644 19604 4594 1 7 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.197 -0.291 19604 4595 1 7 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.803 1.259 19604 4596 1 7 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.682 0.351 19604 4597 1 7 . 1 1 94 94 LYS H H 94 7.585 7.585 8.267 -0.682 19604 4598 1 7 . 1 1 95 95 ASP N N 95 114.100 114.100 115.389 -1.289 19604 4599 1 7 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.514 0.040 19604 4600 1 7 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.833 -0.767 19604 4601 1 7 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.281 -0.532 19604 4602 1 7 . 1 1 95 95 ASP H H 95 8.186 8.186 8.034 0.152 19604 4603 1 7 . 1 1 96 96 GLY N N 96 109.383 109.383 108.001 1.382 19604 4604 1 7 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.191 0.957 19604 4605 1 7 . 1 1 96 96 GLY H H 96 7.809 7.809 7.790 0.018 19604 4606 1 7 . 1 1 97 97 ASN N N 97 119.744 119.744 119.471 0.273 19604 4607 1 7 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.667 -0.021 19604 4608 1 7 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.892 -0.237 19604 4609 1 7 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.973 -0.784 19604 4610 1 7 . 1 1 97 97 ASN H H 97 8.336 8.336 8.464 -0.128 19604 4611 1 7 . 1 1 98 98 GLY N N 98 112.937 112.937 107.771 5.166 19604 4612 1 7 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.647 -0.615 19604 4613 1 7 . 1 1 98 98 GLY H H 98 10.653 10.653 8.691 1.962 19604 4614 1 7 . 1 1 99 99 TYR N N 99 115.956 115.956 117.481 -1.525 19604 4615 1 7 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.991 0.070 19604 4616 1 7 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.592 -1.403 19604 4617 1 7 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.434 0.610 19604 4618 1 7 . 1 1 99 99 TYR H H 99 7.630 7.630 8.459 -0.829 19604 4619 1 7 . 1 1 100 100 ILE N N 100 127.360 127.360 123.826 3.534 19604 4620 1 7 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.652 0.132 19604 4621 1 7 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.202 0.817 19604 4622 1 7 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.684 -1.699 19604 4623 1 7 . 1 1 100 100 ILE H H 100 10.174 10.174 8.979 1.195 19604 4624 1 7 . 1 1 101 101 SER N N 101 124.117 124.117 122.975 1.142 19604 4625 1 7 . 1 1 101 101 SER HA H 101 4.885 4.885 4.881 0.004 19604 4626 1 7 . 1 1 101 101 SER CA C 101 55.722 55.722 56.245 -0.523 19604 4627 1 7 . 1 1 101 101 SER CB C 101 66.631 66.631 65.767 0.864 19604 4628 1 7 . 1 1 101 101 SER H H 101 8.977 8.977 8.553 0.424 19604 4629 1 7 . 1 1 102 102 ALA N N 102 123.057 123.057 123.373 -0.316 19604 4630 1 7 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.133 -0.209 19604 4631 1 7 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.385 0.569 19604 4632 1 7 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.413 -0.522 19604 4633 1 7 . 1 1 102 102 ALA H H 102 9.261 9.261 8.931 0.330 19604 4634 1 7 . 1 1 103 103 ALA N N 103 118.685 118.685 121.138 -2.453 19604 4635 1 7 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.072 -0.048 19604 4636 1 7 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.883 0.336 19604 4637 1 7 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.306 0.009 19604 4638 1 7 . 1 1 103 103 ALA H H 103 8.271 8.271 7.727 0.544 19604 4639 1 7 . 1 1 104 104 GLU N N 104 119.737 119.737 119.065 0.672 19604 4640 1 7 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.045 -0.008 19604 4641 1 7 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.363 -0.113 19604 4642 1 7 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.695 -0.479 19604 4643 1 7 . 1 1 104 104 GLU H H 104 7.857 7.857 7.528 0.329 19604 4644 1 7 . 1 1 105 105 LEU N N 105 122.037 122.037 121.123 0.914 19604 4645 1 7 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.923 0.113 19604 4646 1 7 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.206 -0.154 19604 4647 1 7 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.607 0.507 19604 4648 1 7 . 1 1 105 105 LEU H H 105 8.685 8.685 8.294 0.391 19604 4649 1 7 . 1 1 106 106 ARG N N 106 118.484 118.484 118.219 0.265 19604 4650 1 7 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.822 -0.114 19604 4651 1 7 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.849 0.181 19604 4652 1 7 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.989 0.328 19604 4653 1 7 . 1 1 106 106 ARG H H 106 8.682 8.682 7.785 0.897 19604 4654 1 7 . 1 1 107 107 HIS N N 107 118.917 118.917 119.209 -0.292 19604 4655 1 7 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.407 -0.111 19604 4656 1 7 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.033 0.809 19604 4657 1 7 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.445 1.131 19604 4658 1 7 . 1 1 107 107 HIS H H 107 7.803 7.803 8.023 -0.220 19604 4659 1 7 . 1 1 108 108 VAL N N 108 119.662 119.662 119.673 -0.011 19604 4660 1 7 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.411 0.047 19604 4661 1 7 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.320 0.133 19604 4662 1 7 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.525 0.068 19604 4663 1 7 . 1 1 108 108 VAL H H 108 7.887 7.887 7.664 0.223 19604 4664 1 7 . 1 1 109 109 MET N N 109 115.981 115.981 117.984 -2.003 19604 4665 1 7 . 1 1 109 109 MET HA H 109 4.296 4.296 4.120 0.176 19604 4666 1 7 . 1 1 109 109 MET CA C 109 57.062 57.062 58.170 -1.108 19604 4667 1 7 . 1 1 109 109 MET H H 109 8.128 8.128 8.153 -0.025 19604 4668 1 7 . 1 1 110 110 THR N N 110 116.866 116.866 113.497 3.369 19604 4669 1 7 . 1 1 110 110 THR HA H 110 4.080 4.080 3.934 0.146 19604 4670 1 7 . 1 1 110 110 THR CA C 110 66.402 66.402 65.843 0.559 19604 4671 1 7 . 1 1 110 110 THR CB C 110 68.574 68.574 68.013 0.561 19604 4672 1 7 . 1 1 110 110 THR H H 110 8.302 8.302 8.618 -0.316 19604 4673 1 7 . 1 1 111 111 ASN N N 111 122.811 122.811 120.456 2.355 19604 4674 1 7 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.529 -0.084 19604 4675 1 7 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.129 0.682 19604 4676 1 7 . 1 1 111 111 ASN CB C 111 37.975 37.975 37.511 0.463 19604 4677 1 7 . 1 1 111 111 ASN H H 111 7.849 7.849 7.662 0.187 19604 4678 1 7 . 1 1 112 112 LEU N N 112 118.869 118.869 117.767 1.102 19604 4679 1 7 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.281 0.064 19604 4680 1 7 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.728 -0.637 19604 4681 1 7 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.326 -0.246 19604 4682 1 7 . 1 1 112 112 LEU H H 112 7.666 7.666 7.778 -0.112 19604 4683 1 7 . 1 1 113 113 GLY N N 113 107.124 107.124 106.388 0.736 19604 4684 1 7 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.441 0.975 19604 4685 1 7 . 1 1 113 113 GLY H H 113 7.818 7.818 7.583 0.235 19604 4686 1 7 . 1 1 114 114 GLU N N 114 120.113 120.113 121.298 -1.185 19604 4687 1 7 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.573 -0.146 19604 4688 1 7 . 1 1 114 114 GLU CA C 114 54.596 54.596 53.607 0.989 19604 4689 1 7 . 1 1 114 114 GLU CB C 114 30.710 30.710 30.989 -0.279 19604 4690 1 7 . 1 1 114 114 GLU H H 114 7.895 7.895 7.761 0.134 19604 4691 1 7 . 1 1 115 115 LYS N N 115 124.920 124.920 125.016 -0.096 19604 4692 1 7 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.269 0.111 19604 4693 1 7 . 1 1 115 115 LYS CA C 115 55.393 55.393 57.325 -1.933 19604 4694 1 7 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.420 -0.375 19604 4695 1 7 . 1 1 115 115 LYS H H 115 8.583 8.583 8.599 -0.016 19604 4696 1 7 . 1 1 116 116 LEU N N 116 124.979 124.979 124.063 0.916 19604 4697 1 7 . 1 1 116 116 LEU HA H 116 4.767 4.767 5.174 -0.407 19604 4698 1 7 . 1 1 116 116 LEU CA C 116 54.081 54.081 52.761 1.320 19604 4699 1 7 . 1 1 116 116 LEU CB C 116 44.532 44.532 46.190 -1.658 19604 4700 1 7 . 1 1 116 116 LEU H H 116 8.082 8.082 8.049 0.033 19604 4701 1 7 . 1 1 117 117 THR N N 117 114.448 114.448 111.570 2.878 19604 4702 1 7 . 1 1 117 117 THR HA H 117 4.452 4.452 4.746 -0.294 19604 4703 1 7 . 1 1 117 117 THR CA C 117 60.690 60.690 59.901 0.789 19604 4704 1 7 . 1 1 117 117 THR CB C 117 71.051 71.051 71.710 -0.659 19604 4705 1 7 . 1 1 117 117 THR H H 117 9.172 9.172 8.426 0.746 19604 4706 1 7 . 1 1 118 118 ASP N N 118 121.175 121.175 121.692 -0.517 19604 4707 1 7 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.275 -0.062 19604 4708 1 7 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.059 -0.066 19604 4709 1 7 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.470 -0.800 19604 4710 1 7 . 1 1 118 118 ASP H H 118 8.889 8.889 8.834 0.055 19604 4711 1 7 . 1 1 119 119 GLU N N 119 119.386 119.386 118.478 0.908 19604 4712 1 7 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.157 -0.069 19604 4713 1 7 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.758 1.255 19604 4714 1 7 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.436 -0.264 19604 4715 1 7 . 1 1 119 119 GLU H H 119 8.665 8.665 8.572 0.093 19604 4716 1 7 . 1 1 120 120 GLU N N 120 120.564 120.564 119.759 0.805 19604 4717 1 7 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.025 -0.043 19604 4718 1 7 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.091 0.161 19604 4719 1 7 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.731 1.029 19604 4720 1 7 . 1 1 120 120 GLU H H 120 7.715 7.715 7.541 0.174 19604 4721 1 7 . 1 1 121 121 VAL N N 121 120.955 120.955 118.867 2.088 19604 4722 1 7 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.623 -0.167 19604 4723 1 7 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.681 0.200 19604 4724 1 7 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.368 -0.038 19604 4725 1 7 . 1 1 121 121 VAL H H 121 8.050 8.050 8.133 -0.083 19604 4726 1 7 . 1 1 122 122 ASP N N 122 120.016 120.016 119.787 0.229 19604 4727 1 7 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.241 0.122 19604 4728 1 7 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.964 -0.250 19604 4729 1 7 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.794 -0.341 19604 4730 1 7 . 1 1 122 122 ASP H H 122 7.980 7.980 7.715 0.265 19604 4731 1 7 . 1 1 123 123 GLU N N 123 119.913 119.913 118.707 1.206 19604 4732 1 7 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.059 -0.013 19604 4733 1 7 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.923 0.382 19604 4734 1 7 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.353 -0.074 19604 4735 1 7 . 1 1 123 123 GLU H H 123 8.033 8.033 7.926 0.107 19604 4736 1 7 . 1 1 124 124 MET N N 124 119.642 119.642 118.156 1.486 19604 4737 1 7 . 1 1 124 124 MET HA H 124 4.175 4.175 4.061 0.114 19604 4738 1 7 . 1 1 124 124 MET CA C 124 60.420 60.420 59.326 1.094 19604 4739 1 7 . 1 1 124 124 MET CB C 124 33.408 33.408 32.777 0.631 19604 4740 1 7 . 1 1 124 124 MET H H 124 7.930 7.930 7.768 0.162 19604 4741 1 7 . 1 1 125 125 ILE N N 125 119.663 119.663 119.179 0.484 19604 4742 1 7 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.736 -0.027 19604 4743 1 7 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.014 0.325 19604 4744 1 7 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.578 -0.242 19604 4745 1 7 . 1 1 125 125 ILE H H 125 8.147 8.147 7.963 0.184 19604 4746 1 7 . 1 1 126 126 ARG N N 126 118.998 118.998 118.886 0.112 19604 4747 1 7 . 1 1 126 126 ARG HA H 126 4.072 4.072 4.023 0.049 19604 4748 1 7 . 1 1 126 126 ARG CA C 126 59.828 59.828 58.757 1.071 19604 4749 1 7 . 1 1 126 126 ARG CB C 126 30.331 30.331 29.983 0.348 19604 4750 1 7 . 1 1 126 126 ARG H H 126 8.431 8.431 8.163 0.268 19604 4751 1 7 . 1 1 127 127 GLU N N 127 116.058 116.058 118.295 -2.237 19604 4752 1 7 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.149 -0.165 19604 4753 1 7 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.583 0.222 19604 4754 1 7 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.613 0.192 19604 4755 1 7 . 1 1 127 127 GLU H H 127 7.899 7.899 7.705 0.194 19604 4756 1 7 . 1 1 128 128 ALA N N 128 117.702 117.702 119.401 -1.699 19604 4757 1 7 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.144 0.309 19604 4758 1 7 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.359 -1.639 19604 4759 1 7 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.333 3.053 19604 4760 1 7 . 1 1 128 128 ALA H H 128 7.222 7.222 7.473 -0.251 19604 4761 1 7 . 1 1 129 129 ASP N N 129 117.996 117.996 119.448 -1.452 19604 4762 1 7 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.714 -0.217 19604 4763 1 7 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.080 0.256 19604 4764 1 7 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.595 1.087 19604 4765 1 7 . 1 1 129 129 ASP H H 129 7.947 7.947 8.061 -0.114 19604 4766 1 7 . 1 1 130 130 ILE N N 130 128.199 128.199 124.421 3.778 19604 4767 1 7 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.850 0.058 19604 4768 1 7 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.595 -0.162 19604 4769 1 7 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.529 0.209 19604 4770 1 7 . 1 1 130 130 ILE H H 130 8.399 8.399 8.095 0.304 19604 4771 1 7 . 1 1 131 131 ASP N N 131 116.628 116.628 117.644 -1.016 19604 4772 1 7 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.499 0.014 19604 4773 1 7 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.855 -0.027 19604 4774 1 7 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.362 -0.373 19604 4775 1 7 . 1 1 131 131 ASP H H 131 8.258 8.258 8.319 -0.061 19604 4776 1 7 . 1 1 132 132 GLY N N 132 108.616 108.616 108.992 -0.376 19604 4777 1 7 . 1 1 132 132 GLY CA C 132 47.527 47.527 45.863 1.664 19604 4778 1 7 . 1 1 132 132 GLY H H 132 7.559 7.559 7.703 -0.144 19604 4779 1 7 . 1 1 133 133 ASP N N 133 120.901 120.901 118.756 2.145 19604 4780 1 7 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.533 -0.055 19604 4781 1 7 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.902 -0.249 19604 4782 1 7 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.778 -1.507 19604 4783 1 7 . 1 1 133 133 ASP H H 133 8.340 8.340 8.729 -0.389 19604 4784 1 7 . 1 1 134 134 GLY N N 134 112.918 112.918 108.905 4.013 19604 4785 1 7 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.958 0.910 19604 4786 1 7 . 1 1 134 134 GLY H H 134 10.366 10.366 8.836 1.530 19604 4787 1 7 . 1 1 135 135 GLN N N 135 115.297 115.297 117.930 -2.633 19604 4788 1 7 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.654 0.263 19604 4789 1 7 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.852 -1.625 19604 4790 1 7 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.489 -1.147 19604 4791 1 7 . 1 1 135 135 GLN H H 135 8.012 8.012 8.540 -0.528 19604 4792 1 7 . 1 1 136 136 VAL N N 136 125.463 125.463 122.208 3.255 19604 4793 1 7 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.005 0.213 19604 4794 1 7 . 1 1 136 136 VAL CA C 136 61.663 61.663 61.019 0.644 19604 4795 1 7 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.559 1.199 19604 4796 1 7 . 1 1 136 136 VAL H H 136 9.133 9.133 8.755 0.378 19604 4797 1 7 . 1 1 137 137 ASN N N 137 129.402 129.402 126.436 2.966 19604 4798 1 7 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.742 0.557 19604 4799 1 7 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.734 0.292 19604 4800 1 7 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.470 -1.185 19604 4801 1 7 . 1 1 137 137 ASN H H 137 9.634 9.634 8.748 0.886 19604 4802 1 7 . 1 1 138 138 TYR N N 138 118.585 118.585 120.541 -1.956 19604 4803 1 7 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.594 -0.252 19604 4804 1 7 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.919 -0.402 19604 4805 1 7 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.382 -0.686 19604 4806 1 7 . 1 1 138 138 TYR H H 138 8.400 8.400 8.810 -0.410 19604 4807 1 7 . 1 1 139 139 GLU N N 139 118.692 118.692 118.877 -0.185 19604 4808 1 7 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.846 -0.228 19604 4809 1 7 . 1 1 139 139 GLU CA C 139 60.314 60.314 60.145 0.169 19604 4810 1 7 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.200 -0.200 19604 4811 1 7 . 1 1 139 139 GLU H H 139 8.095 8.095 8.896 -0.801 19604 4812 1 7 . 1 1 140 140 GLU N N 140 119.980 119.980 119.240 0.740 19604 4813 1 7 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.117 -0.212 19604 4814 1 7 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.990 -0.458 19604 4815 1 7 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.778 -0.071 19604 4816 1 7 . 1 1 140 140 GLU H H 140 8.759 8.759 8.578 0.181 19604 4817 1 7 . 1 1 141 141 PHE N N 141 123.408 123.408 121.709 1.699 19604 4818 1 7 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.149 -0.418 19604 4819 1 7 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.455 0.528 19604 4820 1 7 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.258 0.915 19604 4821 1 7 . 1 1 141 141 PHE H H 141 8.639 8.639 8.430 0.209 19604 4822 1 7 . 1 1 142 142 VAL N N 142 119.839 119.839 118.820 1.019 19604 4823 1 7 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.512 -0.468 19604 4824 1 7 . 1 1 142 142 VAL CA C 142 67.118 67.118 65.966 1.152 19604 4825 1 7 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.947 0.568 19604 4826 1 7 . 1 1 142 142 VAL H H 142 8.781 8.781 8.566 0.215 19604 4827 1 7 . 1 1 143 143 GLN N N 143 118.240 118.240 119.101 -0.861 19604 4828 1 7 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.940 -0.138 19604 4829 1 7 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.777 0.040 19604 4830 1 7 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.828 -0.653 19604 4831 1 7 . 1 1 143 143 GLN H H 143 7.491 7.491 7.341 0.150 19604 4832 1 7 . 1 1 144 144 MET N N 144 116.028 116.028 116.233 -0.205 19604 4833 1 7 . 1 1 144 144 MET HA H 144 4.145 4.145 4.194 -0.049 19604 4834 1 7 . 1 1 144 144 MET CA C 144 55.939 55.939 56.917 -0.978 19604 4835 1 7 . 1 1 144 144 MET CB C 144 31.345 31.345 32.498 -1.153 19604 4836 1 7 . 1 1 144 144 MET H H 144 7.176 7.176 8.048 -0.872 19604 4837 1 7 . 1 1 145 145 MET N N 145 116.272 116.272 115.997 0.275 19604 4838 1 7 . 1 1 145 145 MET HA H 145 4.301 4.301 4.281 0.020 19604 4839 1 7 . 1 1 145 145 MET CA C 145 55.416 55.416 57.007 -1.591 19604 4840 1 7 . 1 1 145 145 MET CB C 145 32.831 32.831 33.499 -0.668 19604 4841 1 7 . 1 1 145 145 MET H H 145 7.831 7.831 7.529 0.302 19604 4842 1 7 . 1 1 146 146 THR N N 146 110.389 110.389 114.370 -3.981 19604 4843 1 7 . 1 1 146 146 THR HA H 146 4.308 4.308 4.397 -0.089 19604 4844 1 7 . 1 1 146 146 THR CA C 146 61.942 61.942 61.913 0.029 19604 4845 1 7 . 1 1 146 146 THR CB C 146 70.244 70.244 69.052 1.192 19604 4846 1 7 . 1 1 146 146 THR H H 146 7.474 7.474 7.563 -0.089 19604 4847 1 7 . 1 1 147 147 ALA N N 147 126.864 126.864 125.500 1.364 19604 4848 1 7 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.175 0.033 19604 4849 1 7 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.261 0.737 19604 4850 1 7 . 1 1 147 147 ALA CB C 147 19.116 19.116 18.550 0.566 19604 4851 1 7 . 1 1 147 147 ALA H H 147 7.622 7.622 7.193 0.429 19604 4852 1 8 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.794 -0.154 19604 4853 1 8 . 1 1 2 2 ASP CA C 2 54.613 54.613 53.347 1.266 19604 4854 1 8 . 1 1 2 2 ASP CB C 2 41.351 41.351 42.117 -0.765 19604 4855 1 8 . 1 1 3 3 GLN N N 3 120.300 120.300 118.903 1.397 19604 4856 1 8 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.286 0.087 19604 4857 1 8 . 1 1 3 3 GLN CA C 3 55.498 55.498 56.673 -1.175 19604 4858 1 8 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.226 0.552 19604 4859 1 8 . 1 1 3 3 GLN H H 3 8.388 8.388 8.425 -0.037 19604 4860 1 8 . 1 1 4 4 LEU N N 4 123.525 123.525 119.315 4.210 19604 4861 1 8 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.594 0.093 19604 4862 1 8 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.136 0.223 19604 4863 1 8 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.508 0.145 19604 4864 1 8 . 1 1 4 4 LEU H H 4 8.299 8.299 7.825 0.474 19604 4865 1 8 . 1 1 5 5 THR N N 5 113.299 113.299 112.872 0.427 19604 4866 1 8 . 1 1 5 5 THR HA H 5 4.476 4.476 4.492 -0.016 19604 4867 1 8 . 1 1 5 5 THR CA C 5 60.463 60.463 59.777 0.686 19604 4868 1 8 . 1 1 5 5 THR CB C 5 71.250 71.250 71.131 0.119 19604 4869 1 8 . 1 1 5 5 THR H H 5 8.651 8.651 7.748 0.903 19604 4870 1 8 . 1 1 6 6 GLU N N 6 120.620 120.620 121.249 -0.629 19604 4871 1 8 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.067 -0.092 19604 4872 1 8 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.019 -0.084 19604 4873 1 8 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.506 -0.307 19604 4874 1 8 . 1 1 6 6 GLU H H 6 9.014 9.014 8.762 0.252 19604 4875 1 8 . 1 1 7 7 GLU N N 7 119.586 119.586 117.341 2.245 19604 4876 1 8 . 1 1 7 7 GLU HA H 7 4.068 4.068 3.993 0.075 19604 4877 1 8 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.226 0.717 19604 4878 1 8 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.337 -0.259 19604 4879 1 8 . 1 1 7 7 GLU H H 7 8.713 8.713 8.745 -0.032 19604 4880 1 8 . 1 1 8 8 GLN N N 8 120.413 120.413 119.106 1.307 19604 4881 1 8 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.027 -0.202 19604 4882 1 8 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.199 0.577 19604 4883 1 8 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.667 0.793 19604 4884 1 8 . 1 1 8 8 GLN H H 8 7.719 7.719 7.577 0.142 19604 4885 1 8 . 1 1 9 9 ILE N N 9 119.362 119.362 120.659 -1.297 19604 4886 1 8 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.926 -0.258 19604 4887 1 8 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.936 1.298 19604 4888 1 8 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.885 -0.064 19604 4889 1 8 . 1 1 9 9 ILE H H 9 8.267 8.267 8.532 -0.265 19604 4890 1 8 . 1 1 10 10 ALA N N 10 121.321 121.321 121.791 -0.470 19604 4891 1 8 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.944 0.174 19604 4892 1 8 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.584 -0.187 19604 4893 1 8 . 1 1 10 10 ALA CB C 10 17.796 17.796 18.097 -0.301 19604 4894 1 8 . 1 1 10 10 ALA H H 10 8.023 8.023 8.338 -0.315 19604 4895 1 8 . 1 1 11 11 GLU N N 11 119.865 119.865 118.389 1.476 19604 4896 1 8 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.072 0.069 19604 4897 1 8 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.245 0.166 19604 4898 1 8 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.170 0.038 19604 4899 1 8 . 1 1 11 11 GLU H H 11 7.761 7.761 7.849 -0.088 19604 4900 1 8 . 1 1 12 12 PHE N N 12 119.971 119.971 117.860 2.111 19604 4901 1 8 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.363 0.660 19604 4902 1 8 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.063 -1.351 19604 4903 1 8 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.905 -1.388 19604 4904 1 8 . 1 1 12 12 PHE H H 12 8.479 8.479 7.194 1.285 19604 4905 1 8 . 1 1 13 13 LYS N N 13 123.604 123.604 119.947 3.657 19604 4906 1 8 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.093 -0.119 19604 4907 1 8 . 1 1 13 13 LYS CA C 13 59.956 59.956 59.632 0.324 19604 4908 1 8 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.350 -0.572 19604 4909 1 8 . 1 1 13 13 LYS H H 13 9.222 9.222 8.853 0.369 19604 4910 1 8 . 1 1 14 14 GLU N N 14 120.976 120.976 119.122 1.854 19604 4911 1 8 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.100 0.013 19604 4912 1 8 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.082 0.480 19604 4913 1 8 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.529 -0.114 19604 4914 1 8 . 1 1 14 14 GLU H H 14 7.924 7.924 7.738 0.186 19604 4915 1 8 . 1 1 15 15 ALA N N 15 122.303 122.303 121.874 0.429 19604 4916 1 8 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.147 0.177 19604 4917 1 8 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.781 0.357 19604 4918 1 8 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.323 -0.321 19604 4919 1 8 . 1 1 15 15 ALA H H 15 7.990 7.990 7.525 0.465 19604 4920 1 8 . 1 1 16 16 PHE N N 16 119.011 119.011 118.916 0.095 19604 4921 1 8 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.675 -0.405 19604 4922 1 8 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.347 0.641 19604 4923 1 8 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.024 0.882 19604 4924 1 8 . 1 1 16 16 PHE H H 16 8.666 8.666 7.451 1.215 19604 4925 1 8 . 1 1 17 17 SER N N 17 113.988 113.988 113.215 0.773 19604 4926 1 8 . 1 1 17 17 SER HA H 17 4.086 4.086 4.175 -0.089 19604 4927 1 8 . 1 1 17 17 SER CA C 17 61.532 61.532 61.490 0.042 19604 4928 1 8 . 1 1 17 17 SER CB C 17 62.921 62.921 63.291 -0.370 19604 4929 1 8 . 1 1 17 17 SER H H 17 8.202 8.202 7.846 0.356 19604 4930 1 8 . 1 1 18 18 LEU N N 18 120.913 120.913 119.745 1.168 19604 4931 1 8 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.045 -0.094 19604 4932 1 8 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.093 0.394 19604 4933 1 8 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.936 -0.413 19604 4934 1 8 . 1 1 18 18 LEU H H 18 7.280 7.280 7.157 0.123 19604 4935 1 8 . 1 1 19 19 PHE N N 19 113.613 113.613 114.234 -0.621 19604 4936 1 8 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.227 -0.195 19604 4937 1 8 . 1 1 19 19 PHE CA C 19 59.406 59.406 60.153 -0.747 19604 4938 1 8 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.325 2.232 19604 4939 1 8 . 1 1 19 19 PHE H H 19 7.070 7.070 7.438 -0.368 19604 4940 1 8 . 1 1 20 20 ASP N N 20 117.393 117.393 118.693 -1.300 19604 4941 1 8 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.898 -0.305 19604 4942 1 8 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.616 -1.148 19604 4943 1 8 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.446 -1.150 19604 4944 1 8 . 1 1 20 20 ASP H H 20 7.790 7.790 7.661 0.129 19604 4945 1 8 . 1 1 21 21 LYS N N 21 124.292 124.292 125.691 -1.399 19604 4946 1 8 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.012 -0.034 19604 4947 1 8 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.457 -0.137 19604 4948 1 8 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.827 -0.154 19604 4949 1 8 . 1 1 21 21 LYS H H 21 7.707 7.707 8.156 -0.449 19604 4950 1 8 . 1 1 22 22 ASP N N 22 114.139 114.139 115.599 -1.460 19604 4951 1 8 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.525 0.055 19604 4952 1 8 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.816 -1.025 19604 4953 1 8 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.555 -0.990 19604 4954 1 8 . 1 1 22 22 ASP H H 22 8.025 8.025 8.640 -0.615 19604 4955 1 8 . 1 1 23 23 GLY N N 23 109.378 109.378 108.431 0.947 19604 4956 1 8 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.405 0.811 19604 4957 1 8 . 1 1 23 23 GLY H H 23 7.661 7.661 7.656 0.005 19604 4958 1 8 . 1 1 24 24 ASP N N 24 121.022 121.022 119.643 1.379 19604 4959 1 8 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.549 -0.034 19604 4960 1 8 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.512 0.166 19604 4961 1 8 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.392 -0.889 19604 4962 1 8 . 1 1 24 24 ASP H H 24 8.466 8.466 8.631 -0.165 19604 4963 1 8 . 1 1 25 25 GLY N N 25 112.810 112.810 109.044 3.766 19604 4964 1 8 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.259 0.087 19604 4965 1 8 . 1 1 25 25 GLY H H 25 10.507 10.507 8.978 1.529 19604 4966 1 8 . 1 1 26 26 THR N N 26 112.094 112.094 113.395 -1.301 19604 4967 1 8 . 1 1 26 26 THR HA H 26 5.431 5.431 5.526 -0.095 19604 4968 1 8 . 1 1 26 26 THR CA C 26 59.576 59.576 60.248 -0.672 19604 4969 1 8 . 1 1 26 26 THR CB C 26 72.730 72.730 71.769 0.961 19604 4970 1 8 . 1 1 26 26 THR H H 26 8.191 8.191 8.476 -0.285 19604 4971 1 8 . 1 1 27 27 ILE N N 27 126.447 126.447 128.188 -1.741 19604 4972 1 8 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.603 0.164 19604 4973 1 8 . 1 1 27 27 ILE CA C 27 61.130 61.130 61.317 -0.187 19604 4974 1 8 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.453 1.535 19604 4975 1 8 . 1 1 27 27 ILE H H 27 9.845 9.845 8.777 1.068 19604 4976 1 8 . 1 1 28 28 THR N N 28 116.315 116.315 117.929 -1.614 19604 4977 1 8 . 1 1 28 28 THR HA H 28 4.894 4.894 4.888 0.006 19604 4978 1 8 . 1 1 28 28 THR CA C 28 59.217 59.217 59.481 -0.264 19604 4979 1 8 . 1 1 28 28 THR CB C 28 72.480 72.480 71.837 0.643 19604 4980 1 8 . 1 1 28 28 THR H H 28 8.322 8.322 8.086 0.236 19604 4981 1 8 . 1 1 29 29 THR N N 29 112.270 112.270 113.770 -1.500 19604 4982 1 8 . 1 1 29 29 THR HA H 29 3.790 3.790 3.872 -0.082 19604 4983 1 8 . 1 1 29 29 THR CA C 29 66.207 66.207 67.065 -0.858 19604 4984 1 8 . 1 1 29 29 THR CB C 29 67.737 67.737 68.355 -0.618 19604 4985 1 8 . 1 1 29 29 THR H H 29 9.251 9.251 8.828 0.423 19604 4986 1 8 . 1 1 30 30 LYS N N 30 121.127 121.127 121.905 -0.778 19604 4987 1 8 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.011 0.107 19604 4988 1 8 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.221 0.036 19604 4989 1 8 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.029 0.504 19604 4990 1 8 . 1 1 30 30 LYS H H 30 7.569 7.569 8.233 -0.664 19604 4991 1 8 . 1 1 31 31 GLU N N 31 121.876 121.876 119.046 2.830 19604 4992 1 8 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.111 -0.095 19604 4993 1 8 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.044 0.413 19604 4994 1 8 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.727 -0.176 19604 4995 1 8 . 1 1 31 31 GLU H H 31 7.715 7.715 7.474 0.241 19604 4996 1 8 . 1 1 32 32 LEU N N 32 120.674 120.674 121.338 -0.664 19604 4997 1 8 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.338 -0.144 19604 4998 1 8 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.512 0.675 19604 4999 1 8 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.568 0.588 19604 5000 1 8 . 1 1 32 32 LEU H H 32 8.592 8.592 8.392 0.200 19604 5001 1 8 . 1 1 33 33 GLY N N 33 106.859 106.859 106.105 0.754 19604 5002 1 8 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.233 0.994 19604 5003 1 8 . 1 1 33 33 GLY H H 33 8.861 8.861 8.801 0.060 19604 5004 1 8 . 1 1 34 34 THR N N 34 118.512 118.512 119.155 -0.643 19604 5005 1 8 . 1 1 34 34 THR HA H 34 3.935 3.935 3.978 -0.043 19604 5006 1 8 . 1 1 34 34 THR CA C 34 66.964 66.964 67.331 -0.367 19604 5007 1 8 . 1 1 34 34 THR CB C 34 68.610 68.610 68.747 -0.137 19604 5008 1 8 . 1 1 34 34 THR H H 34 7.965 7.965 7.711 0.254 19604 5009 1 8 . 1 1 35 35 VAL N N 35 122.456 122.456 121.078 1.378 19604 5010 1 8 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.523 0.048 19604 5011 1 8 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.834 -0.275 19604 5012 1 8 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.246 0.285 19604 5013 1 8 . 1 1 35 35 VAL H H 35 7.532 7.532 7.558 -0.026 19604 5014 1 8 . 1 1 36 36 MET N N 36 118.015 118.015 116.313 1.702 19604 5015 1 8 . 1 1 36 36 MET HA H 36 3.899 3.899 4.091 -0.192 19604 5016 1 8 . 1 1 36 36 MET CA C 36 60.156 60.156 59.282 0.874 19604 5017 1 8 . 1 1 36 36 MET CB C 36 31.731 31.731 31.965 -0.234 19604 5018 1 8 . 1 1 36 36 MET H H 36 8.525 8.525 7.831 0.694 19604 5019 1 8 . 1 1 37 37 ARG N N 37 119.604 119.604 119.269 0.335 19604 5020 1 8 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.165 0.616 19604 5021 1 8 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.687 -0.431 19604 5022 1 8 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.104 -0.491 19604 5023 1 8 . 1 1 37 37 ARG H H 37 8.579 8.579 7.799 0.780 19604 5024 1 8 . 1 1 38 38 SER N N 38 119.543 119.543 115.038 4.505 19604 5025 1 8 . 1 1 38 38 SER HA H 38 4.396 4.396 4.264 0.132 19604 5026 1 8 . 1 1 38 38 SER CA C 38 61.758 61.758 61.102 0.656 19604 5027 1 8 . 1 1 38 38 SER CB C 38 62.691 62.691 62.891 -0.200 19604 5028 1 8 . 1 1 38 38 SER H H 38 7.939 7.939 7.681 0.258 19604 5029 1 8 . 1 1 39 39 LEU N N 39 120.454 120.454 120.080 0.374 19604 5030 1 8 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.353 0.088 19604 5031 1 8 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.485 -0.869 19604 5032 1 8 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.245 -0.115 19604 5033 1 8 . 1 1 39 39 LEU H H 39 7.394 7.394 7.649 -0.255 19604 5034 1 8 . 1 1 40 40 GLY N N 40 107.378 107.378 105.531 1.847 19604 5035 1 8 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.457 1.158 19604 5036 1 8 . 1 1 40 40 GLY H H 40 7.897 7.897 7.538 0.359 19604 5037 1 8 . 1 1 41 41 GLN N N 41 118.330 118.330 119.373 -1.043 19604 5038 1 8 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.566 -0.065 19604 5039 1 8 . 1 1 41 41 GLN CA C 41 54.318 54.318 53.816 0.502 19604 5040 1 8 . 1 1 41 41 GLN CB C 41 30.494 30.494 30.957 -0.464 19604 5041 1 8 . 1 1 41 41 GLN H H 41 7.883 7.883 8.313 -0.430 19604 5042 1 8 . 1 1 42 42 ASN N N 42 116.488 116.488 122.035 -5.547 19604 5043 1 8 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.050 0.162 19604 5044 1 8 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.696 1.432 19604 5045 1 8 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.804 0.367 19604 5046 1 8 . 1 1 42 42 ASN H H 42 8.697 8.697 8.747 -0.050 19604 5047 1 8 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.765 0.019 19604 5048 1 8 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.885 -0.563 19604 5049 1 8 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.477 -1.199 19604 5050 1 8 . 1 1 44 44 THR N N 44 112.452 112.452 110.829 1.623 19604 5051 1 8 . 1 1 44 44 THR HA H 44 4.461 4.461 4.721 -0.260 19604 5052 1 8 . 1 1 44 44 THR CA C 44 60.411 60.411 59.325 1.086 19604 5053 1 8 . 1 1 44 44 THR CB C 44 71.068 71.068 71.778 -0.710 19604 5054 1 8 . 1 1 44 44 THR H H 44 8.678 8.678 8.148 0.530 19604 5055 1 8 . 1 1 45 45 GLU N N 45 120.954 120.954 122.409 -1.455 19604 5056 1 8 . 1 1 45 45 GLU HA H 45 4.010 4.010 4.087 -0.077 19604 5057 1 8 . 1 1 45 45 GLU CA C 45 59.883 59.883 59.719 0.164 19604 5058 1 8 . 1 1 45 45 GLU H H 45 8.803 8.803 9.132 -0.329 19604 5059 1 8 . 1 1 46 46 ALA N N 46 120.643 120.643 121.717 -1.074 19604 5060 1 8 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.235 -0.118 19604 5061 1 8 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.637 0.376 19604 5062 1 8 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.203 -0.030 19604 5063 1 8 . 1 1 46 46 ALA H H 46 8.272 8.272 8.241 0.031 19604 5064 1 8 . 1 1 47 47 GLU N N 47 119.059 119.059 119.970 -0.911 19604 5065 1 8 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.103 -0.068 19604 5066 1 8 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.072 0.091 19604 5067 1 8 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.861 0.065 19604 5068 1 8 . 1 1 47 47 GLU H H 47 7.686 7.686 7.666 0.020 19604 5069 1 8 . 1 1 48 48 LEU N N 48 119.848 119.848 120.114 -0.266 19604 5070 1 8 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.950 0.075 19604 5071 1 8 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.107 -0.266 19604 5072 1 8 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.715 0.715 19604 5073 1 8 . 1 1 48 48 LEU H H 48 8.036 8.036 8.538 -0.502 19604 5074 1 8 . 1 1 49 49 GLN N N 49 118.226 118.226 117.294 0.932 19604 5075 1 8 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.929 -0.126 19604 5076 1 8 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.747 -0.186 19604 5077 1 8 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.982 0.260 19604 5078 1 8 . 1 1 49 49 GLN H H 49 8.323 8.323 7.880 0.443 19604 5079 1 8 . 1 1 50 50 ASP N N 50 119.928 119.928 119.711 0.217 19604 5080 1 8 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.440 -0.042 19604 5081 1 8 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.875 0.734 19604 5082 1 8 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.946 -0.312 19604 5083 1 8 . 1 1 50 50 ASP H H 50 8.147 8.147 7.583 0.564 19604 5084 1 8 . 1 1 51 51 MET N N 51 117.796 117.796 119.424 -1.628 19604 5085 1 8 . 1 1 51 51 MET HA H 51 4.050 4.050 3.883 0.167 19604 5086 1 8 . 1 1 51 51 MET CA C 51 59.555 59.555 59.945 -0.390 19604 5087 1 8 . 1 1 51 51 MET CB C 51 32.846 32.846 32.609 0.237 19604 5088 1 8 . 1 1 51 51 MET H H 51 7.814 7.814 7.686 0.128 19604 5089 1 8 . 1 1 52 52 ILE N N 52 118.474 118.474 118.196 0.278 19604 5090 1 8 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.513 0.086 19604 5091 1 8 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.958 -0.852 19604 5092 1 8 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.397 -0.338 19604 5093 1 8 . 1 1 52 52 ILE H H 52 7.685 7.685 7.971 -0.286 19604 5094 1 8 . 1 1 53 53 ASN N N 53 118.591 118.591 117.485 1.106 19604 5095 1 8 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.507 -0.090 19604 5096 1 8 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.789 0.116 19604 5097 1 8 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.743 0.248 19604 5098 1 8 . 1 1 53 53 ASN H H 53 8.786 8.786 7.996 0.790 19604 5099 1 8 . 1 1 54 54 GLU N N 54 115.327 115.327 117.153 -1.826 19604 5100 1 8 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.166 -0.118 19604 5101 1 8 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.107 0.970 19604 5102 1 8 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.986 0.938 19604 5103 1 8 . 1 1 54 54 GLU H H 54 7.368 7.368 7.794 -0.426 19604 5104 1 8 . 1 1 55 55 VAL N N 55 111.285 111.285 110.255 1.030 19604 5105 1 8 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.233 -0.006 19604 5106 1 8 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.706 0.126 19604 5107 1 8 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.057 1.259 19604 5108 1 8 . 1 1 55 55 VAL H H 55 7.133 7.133 7.347 -0.214 19604 5109 1 8 . 1 1 56 56 ASP N N 56 121.291 121.291 121.626 -0.335 19604 5110 1 8 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.823 -0.355 19604 5111 1 8 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.175 0.525 19604 5112 1 8 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.328 0.256 19604 5113 1 8 . 1 1 56 56 ASP H H 56 7.567 7.567 7.387 0.180 19604 5114 1 8 . 1 1 57 57 ALA N N 57 131.432 131.432 130.131 1.301 19604 5115 1 8 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.175 0.054 19604 5116 1 8 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.779 0.576 19604 5117 1 8 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.947 -0.252 19604 5118 1 8 . 1 1 57 57 ALA H H 57 8.064 8.064 8.137 -0.073 19604 5119 1 8 . 1 1 58 58 ASP N N 58 114.063 114.063 116.736 -2.673 19604 5120 1 8 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.576 0.061 19604 5121 1 8 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.603 -0.835 19604 5122 1 8 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.721 -0.873 19604 5123 1 8 . 1 1 58 58 ASP H H 58 8.211 8.211 8.255 -0.044 19604 5124 1 8 . 1 1 59 59 GLY N N 59 108.646 108.646 109.332 -0.686 19604 5125 1 8 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.955 1.245 19604 5126 1 8 . 1 1 59 59 GLY H H 59 7.584 7.584 7.972 -0.388 19604 5127 1 8 . 1 1 60 60 ASN N N 60 118.886 118.886 118.628 0.258 19604 5128 1 8 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.758 -0.138 19604 5129 1 8 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.320 0.357 19604 5130 1 8 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.631 -2.052 19604 5131 1 8 . 1 1 60 60 ASN H H 60 8.162 8.162 8.537 -0.375 19604 5132 1 8 . 1 1 61 61 GLY N N 61 113.458 113.458 110.011 3.447 19604 5133 1 8 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.450 0.189 19604 5134 1 8 . 1 1 61 61 GLY H H 61 10.568 10.568 8.945 1.623 19604 5135 1 8 . 1 1 62 62 THR N N 62 108.490 108.490 110.265 -1.775 19604 5136 1 8 . 1 1 62 62 THR HA H 62 4.800 4.800 5.254 -0.454 19604 5137 1 8 . 1 1 62 62 THR CA C 62 59.327 59.327 60.086 -0.759 19604 5138 1 8 . 1 1 62 62 THR CB C 62 72.409 72.409 72.305 0.104 19604 5139 1 8 . 1 1 62 62 THR H H 62 7.643 7.643 8.374 -0.731 19604 5140 1 8 . 1 1 63 63 ILE N N 63 123.350 123.350 123.559 -0.209 19604 5141 1 8 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.711 0.503 19604 5142 1 8 . 1 1 63 63 ILE CA C 63 59.051 59.051 58.827 0.224 19604 5143 1 8 . 1 1 63 63 ILE CB C 63 39.605 39.605 37.089 2.516 19604 5144 1 8 . 1 1 63 63 ILE H H 63 8.544 8.544 8.480 0.064 19604 5145 1 8 . 1 1 64 64 ASP N N 64 128.480 128.480 129.189 -0.709 19604 5146 1 8 . 1 1 64 64 ASP HA H 64 5.507 5.507 4.939 0.568 19604 5147 1 8 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.622 -1.637 19604 5148 1 8 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.955 0.248 19604 5149 1 8 . 1 1 64 64 ASP H H 64 8.902 8.902 8.108 0.794 19604 5150 1 8 . 1 1 65 65 PHE N N 65 118.622 118.622 120.263 -1.641 19604 5151 1 8 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.776 0.203 19604 5152 1 8 . 1 1 65 65 PHE CA C 65 63.085 63.085 62.368 0.717 19604 5153 1 8 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.623 -0.722 19604 5154 1 8 . 1 1 65 65 PHE H H 65 8.967 8.967 8.553 0.414 19604 5155 1 8 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.683 0.205 19604 5156 1 8 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.827 2.023 19604 5157 1 8 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.744 0.056 19604 5158 1 8 . 1 1 67 67 GLU N N 67 118.243 118.243 119.217 -0.974 19604 5159 1 8 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.957 0.008 19604 5160 1 8 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.725 -0.680 19604 5161 1 8 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.958 0.916 19604 5162 1 8 . 1 1 67 67 GLU H H 67 8.420 8.420 8.180 0.240 19604 5163 1 8 . 1 1 68 68 PHE N N 68 124.020 124.020 119.636 4.384 19604 5164 1 8 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.295 -0.510 19604 5165 1 8 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.695 0.792 19604 5166 1 8 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.516 1.266 19604 5167 1 8 . 1 1 68 68 PHE H H 68 8.638 8.638 7.582 1.056 19604 5168 1 8 . 1 1 69 69 LEU N N 69 120.062 120.062 121.040 -0.978 19604 5169 1 8 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.940 -0.572 19604 5170 1 8 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.935 -0.081 19604 5171 1 8 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.333 0.052 19604 5172 1 8 . 1 1 69 69 LEU H H 69 8.972 8.972 7.416 1.556 19604 5173 1 8 . 1 1 70 70 THR N N 70 115.488 115.488 114.465 1.023 19604 5174 1 8 . 1 1 70 70 THR HA H 70 3.697 3.697 3.830 -0.133 19604 5175 1 8 . 1 1 70 70 THR CA C 70 66.558 66.558 66.117 0.441 19604 5176 1 8 . 1 1 70 70 THR CB C 70 68.396 68.396 68.629 -0.233 19604 5177 1 8 . 1 1 70 70 THR H H 70 7.855 7.855 8.394 -0.539 19604 5178 1 8 . 1 1 71 71 MET N N 71 119.627 119.627 119.771 -0.144 19604 5179 1 8 . 1 1 71 71 MET HA H 71 3.757 3.757 4.122 -0.365 19604 5180 1 8 . 1 1 71 71 MET CA C 71 58.334 58.334 58.454 -0.120 19604 5181 1 8 . 1 1 71 71 MET CB C 71 30.736 30.736 31.847 -1.111 19604 5182 1 8 . 1 1 71 71 MET H H 71 7.155 7.155 7.352 -0.197 19604 5183 1 8 . 1 1 72 72 MET N N 72 116.046 116.046 117.011 -0.965 19604 5184 1 8 . 1 1 72 72 MET HA H 72 3.977 3.977 4.214 -0.237 19604 5185 1 8 . 1 1 72 72 MET CA C 72 55.138 55.138 57.308 -2.170 19604 5186 1 8 . 1 1 72 72 MET CB C 72 29.103 29.103 32.626 -3.523 19604 5187 1 8 . 1 1 72 72 MET H H 72 7.646 7.646 7.412 0.234 19604 5188 1 8 . 1 1 73 73 ALA N N 73 120.685 120.685 121.801 -1.116 19604 5189 1 8 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.058 0.124 19604 5190 1 8 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.437 -1.337 19604 5191 1 8 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.257 1.035 19604 5192 1 8 . 1 1 73 73 ALA H H 73 8.080 8.080 8.311 -0.231 19604 5193 1 8 . 1 1 74 74 ARG N N 74 118.501 118.501 118.674 -0.173 19604 5194 1 8 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.971 0.217 19604 5195 1 8 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.656 -1.679 19604 5196 1 8 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.983 0.534 19604 5197 1 8 . 1 1 74 74 ARG H H 74 7.367 7.367 8.127 -0.760 19604 5198 1 8 . 1 1 76 76 MET HA H 76 4.413 4.413 4.196 0.217 19604 5199 1 8 . 1 1 76 76 MET CA C 76 55.804 55.804 57.794 -1.990 19604 5200 1 8 . 1 1 76 76 MET CB C 76 33.291 33.291 33.163 0.128 19604 5201 1 8 . 1 1 77 77 LYS N N 77 121.563 121.563 116.385 5.178 19604 5202 1 8 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.407 -0.086 19604 5203 1 8 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.361 1.057 19604 5204 1 8 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.919 -1.668 19604 5205 1 8 . 1 1 77 77 LYS H H 77 8.253 8.253 7.535 0.718 19604 5206 1 8 . 1 1 78 78 ASP N N 78 121.953 121.953 119.665 2.288 19604 5207 1 8 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.378 0.240 19604 5208 1 8 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.241 -0.386 19604 5209 1 8 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.624 0.492 19604 5210 1 8 . 1 1 78 78 ASP H H 78 8.362 8.362 8.367 -0.005 19604 5211 1 8 . 1 1 79 79 THR N N 79 113.276 113.276 114.855 -1.579 19604 5212 1 8 . 1 1 79 79 THR HA H 79 4.305 4.305 4.375 -0.070 19604 5213 1 8 . 1 1 79 79 THR CA C 79 62.124 62.124 62.328 -0.204 19604 5214 1 8 . 1 1 79 79 THR CB C 79 69.634 69.634 68.944 0.690 19604 5215 1 8 . 1 1 79 79 THR H H 79 8.014 8.014 7.980 0.034 19604 5216 1 8 . 1 1 80 80 ASP N N 80 122.850 122.850 123.017 -0.167 19604 5217 1 8 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.571 0.104 19604 5218 1 8 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.345 -0.690 19604 5219 1 8 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.822 0.602 19604 5220 1 8 . 1 1 80 80 ASP H H 80 8.316 8.316 8.321 -0.005 19604 5221 1 8 . 1 1 81 81 SER N N 81 116.864 116.864 118.189 -1.325 19604 5222 1 8 . 1 1 81 81 SER HA H 81 4.429 4.429 4.039 0.390 19604 5223 1 8 . 1 1 81 81 SER CA C 81 59.337 59.337 61.851 -2.514 19604 5224 1 8 . 1 1 81 81 SER CB C 81 63.672 63.672 62.922 0.750 19604 5225 1 8 . 1 1 81 81 SER H H 81 8.391 8.391 8.576 -0.185 19604 5226 1 8 . 1 1 82 82 GLU N N 82 122.561 122.561 121.685 0.876 19604 5227 1 8 . 1 1 82 82 GLU HA H 82 4.073 4.073 3.931 0.142 19604 5228 1 8 . 1 1 82 82 GLU CA C 82 59.179 59.179 60.387 -1.208 19604 5229 1 8 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.163 0.349 19604 5230 1 8 . 1 1 82 82 GLU H H 82 8.479 8.479 8.805 -0.326 19604 5231 1 8 . 1 1 83 83 GLU N N 83 119.348 119.348 118.240 1.108 19604 5232 1 8 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.061 -0.017 19604 5233 1 8 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.162 0.485 19604 5234 1 8 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.070 0.462 19604 5235 1 8 . 1 1 83 83 GLU H H 83 8.279 8.279 8.594 -0.315 19604 5236 1 8 . 1 1 84 84 GLU N N 84 118.810 118.810 119.946 -1.136 19604 5237 1 8 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.099 0.014 19604 5238 1 8 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.495 -0.018 19604 5239 1 8 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.386 0.283 19604 5240 1 8 . 1 1 84 84 GLU H H 84 8.062 8.062 8.194 -0.132 19604 5241 1 8 . 1 1 85 85 ILE N N 85 122.019 122.019 120.442 1.577 19604 5242 1 8 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.012 -0.094 19604 5243 1 8 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.306 0.021 19604 5244 1 8 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.107 -0.679 19604 5245 1 8 . 1 1 85 85 ILE H H 85 8.008 8.008 8.221 -0.213 19604 5246 1 8 . 1 1 86 86 ARG N N 86 121.851 121.851 120.016 1.835 19604 5247 1 8 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.129 0.037 19604 5248 1 8 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.881 0.145 19604 5249 1 8 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.064 -0.098 19604 5250 1 8 . 1 1 86 86 ARG H H 86 8.446 8.446 8.449 -0.003 19604 5251 1 8 . 1 1 87 87 GLU N N 87 118.621 118.621 119.737 -1.116 19604 5252 1 8 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.073 0.037 19604 5253 1 8 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.415 -0.308 19604 5254 1 8 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.442 -0.016 19604 5255 1 8 . 1 1 87 87 GLU H H 87 8.149 8.149 8.185 -0.036 19604 5256 1 8 . 1 1 88 88 ALA N N 88 121.741 121.741 122.584 -0.843 19604 5257 1 8 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.651 0.374 19604 5258 1 8 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.865 0.121 19604 5259 1 8 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.202 -0.478 19604 5260 1 8 . 1 1 88 88 ALA H H 88 7.880 7.880 7.630 0.250 19604 5261 1 8 . 1 1 89 89 PHE N N 89 118.057 118.057 119.181 -1.124 19604 5262 1 8 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.803 -0.654 19604 5263 1 8 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.650 0.716 19604 5264 1 8 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.024 0.313 19604 5265 1 8 . 1 1 89 89 PHE H H 89 8.463 8.463 8.166 0.297 19604 5266 1 8 . 1 1 90 90 ARG N N 90 115.723 115.723 118.415 -2.692 19604 5267 1 8 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.850 0.042 19604 5268 1 8 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.283 -0.395 19604 5269 1 8 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.285 0.121 19604 5270 1 8 . 1 1 90 90 ARG H H 90 7.775 7.775 7.500 0.275 19604 5271 1 8 . 1 1 91 91 VAL N N 91 118.161 118.161 117.390 0.771 19604 5272 1 8 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.589 -0.065 19604 5273 1 8 . 1 1 91 91 VAL CA C 91 65.596 65.596 66.042 -0.446 19604 5274 1 8 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.536 0.008 19604 5275 1 8 . 1 1 91 91 VAL H H 91 7.484 7.484 7.485 -0.001 19604 5276 1 8 . 1 1 92 92 PHE N N 92 117.398 117.398 114.526 2.872 19604 5277 1 8 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.211 0.067 19604 5278 1 8 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.869 0.812 19604 5279 1 8 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.357 1.497 19604 5280 1 8 . 1 1 92 92 PHE H H 92 7.544 7.544 7.338 0.206 19604 5281 1 8 . 1 1 93 93 ASP N N 93 117.503 117.503 119.781 -2.278 19604 5282 1 8 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.403 0.138 19604 5283 1 8 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.919 -1.737 19604 5284 1 8 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.950 -1.522 19604 5285 1 8 . 1 1 93 93 ASP H H 93 7.963 7.963 7.658 0.305 19604 5286 1 8 . 1 1 94 94 LYS N N 94 125.976 125.976 124.904 1.072 19604 5287 1 8 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.092 -0.186 19604 5288 1 8 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.915 1.147 19604 5289 1 8 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.807 0.226 19604 5290 1 8 . 1 1 94 94 LYS H H 94 7.585 7.585 7.973 -0.388 19604 5291 1 8 . 1 1 95 95 ASP N N 95 114.100 114.100 115.183 -1.083 19604 5292 1 8 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.490 0.064 19604 5293 1 8 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.646 -0.580 19604 5294 1 8 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.345 -0.596 19604 5295 1 8 . 1 1 95 95 ASP H H 95 8.186 8.186 7.922 0.264 19604 5296 1 8 . 1 1 96 96 GLY N N 96 109.383 109.383 108.217 1.166 19604 5297 1 8 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.075 1.073 19604 5298 1 8 . 1 1 96 96 GLY H H 96 7.809 7.809 7.726 0.083 19604 5299 1 8 . 1 1 97 97 ASN N N 97 119.744 119.744 119.278 0.466 19604 5300 1 8 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.645 0.001 19604 5301 1 8 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.776 -0.121 19604 5302 1 8 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.939 -0.750 19604 5303 1 8 . 1 1 97 97 ASN H H 97 8.336 8.336 8.614 -0.278 19604 5304 1 8 . 1 1 98 98 GLY N N 98 112.937 112.937 107.457 5.480 19604 5305 1 8 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.521 -0.489 19604 5306 1 8 . 1 1 98 98 GLY H H 98 10.653 10.653 8.650 2.003 19604 5307 1 8 . 1 1 99 99 TYR N N 99 115.956 115.956 117.760 -1.804 19604 5308 1 8 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.965 0.096 19604 5309 1 8 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.536 -1.347 19604 5310 1 8 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.735 0.309 19604 5311 1 8 . 1 1 99 99 TYR H H 99 7.630 7.630 8.410 -0.780 19604 5312 1 8 . 1 1 100 100 ILE N N 100 127.360 127.360 122.690 4.670 19604 5313 1 8 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.646 0.138 19604 5314 1 8 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.174 0.845 19604 5315 1 8 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.540 -1.555 19604 5316 1 8 . 1 1 100 100 ILE H H 100 10.174 10.174 8.998 1.176 19604 5317 1 8 . 1 1 101 101 SER N N 101 124.117 124.117 122.463 1.654 19604 5318 1 8 . 1 1 101 101 SER HA H 101 4.885 4.885 4.991 -0.106 19604 5319 1 8 . 1 1 101 101 SER CA C 101 55.722 55.722 55.577 0.145 19604 5320 1 8 . 1 1 101 101 SER CB C 101 66.631 66.631 66.629 0.002 19604 5321 1 8 . 1 1 101 101 SER H H 101 8.977 8.977 8.148 0.829 19604 5322 1 8 . 1 1 102 102 ALA N N 102 123.057 123.057 123.622 -0.565 19604 5323 1 8 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.146 -0.222 19604 5324 1 8 . 1 1 102 102 ALA CA C 102 55.954 55.954 54.792 1.162 19604 5325 1 8 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.453 -0.562 19604 5326 1 8 . 1 1 102 102 ALA H H 102 9.261 9.261 8.980 0.280 19604 5327 1 8 . 1 1 103 103 ALA N N 103 118.685 118.685 121.407 -2.722 19604 5328 1 8 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.094 -0.070 19604 5329 1 8 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.875 0.344 19604 5330 1 8 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.555 -0.240 19604 5331 1 8 . 1 1 103 103 ALA H H 103 8.271 8.271 7.754 0.517 19604 5332 1 8 . 1 1 104 104 GLU N N 104 119.737 119.737 119.137 0.600 19604 5333 1 8 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.073 -0.036 19604 5334 1 8 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.817 0.433 19604 5335 1 8 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.685 -0.469 19604 5336 1 8 . 1 1 104 104 GLU H H 104 7.857 7.857 7.523 0.334 19604 5337 1 8 . 1 1 105 105 LEU N N 105 122.037 122.037 120.440 1.597 19604 5338 1 8 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.902 0.134 19604 5339 1 8 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.810 0.242 19604 5340 1 8 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.826 0.288 19604 5341 1 8 . 1 1 105 105 LEU H H 105 8.685 8.685 8.607 0.078 19604 5342 1 8 . 1 1 106 106 ARG N N 106 118.484 118.484 118.544 -0.060 19604 5343 1 8 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.827 -0.119 19604 5344 1 8 . 1 1 106 106 ARG CA C 106 60.030 60.030 60.125 -0.095 19604 5345 1 8 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.808 0.508 19604 5346 1 8 . 1 1 106 106 ARG H H 106 8.682 8.682 7.615 1.067 19604 5347 1 8 . 1 1 107 107 HIS N N 107 118.917 118.917 117.328 1.589 19604 5348 1 8 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.317 -0.021 19604 5349 1 8 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.525 0.317 19604 5350 1 8 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.443 1.133 19604 5351 1 8 . 1 1 107 107 HIS H H 107 7.803 7.803 7.887 -0.084 19604 5352 1 8 . 1 1 108 108 VAL N N 108 119.662 119.662 119.445 0.217 19604 5353 1 8 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.799 -0.341 19604 5354 1 8 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.259 0.193 19604 5355 1 8 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.248 0.345 19604 5356 1 8 . 1 1 108 108 VAL H H 108 7.887 7.887 7.288 0.599 19604 5357 1 8 . 1 1 109 109 MET N N 109 115.981 115.981 117.328 -1.347 19604 5358 1 8 . 1 1 109 109 MET HA H 109 4.296 4.296 4.141 0.155 19604 5359 1 8 . 1 1 109 109 MET CA C 109 57.062 57.062 58.390 -1.328 19604 5360 1 8 . 1 1 109 109 MET H H 109 8.128 8.128 7.863 0.265 19604 5361 1 8 . 1 1 110 110 THR N N 110 116.866 116.866 115.314 1.552 19604 5362 1 8 . 1 1 110 110 THR HA H 110 4.080 4.080 4.051 0.029 19604 5363 1 8 . 1 1 110 110 THR CA C 110 66.402 66.402 65.987 0.415 19604 5364 1 8 . 1 1 110 110 THR CB C 110 68.574 68.574 67.906 0.668 19604 5365 1 8 . 1 1 110 110 THR H H 110 8.302 8.302 7.869 0.433 19604 5366 1 8 . 1 1 111 111 ASN N N 111 122.811 122.811 120.589 2.222 19604 5367 1 8 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.511 -0.066 19604 5368 1 8 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.545 0.266 19604 5369 1 8 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.371 -0.396 19604 5370 1 8 . 1 1 111 111 ASN H H 111 7.849 7.849 7.751 0.098 19604 5371 1 8 . 1 1 112 112 LEU N N 112 118.869 118.869 117.877 0.992 19604 5372 1 8 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.423 -0.078 19604 5373 1 8 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.626 -0.534 19604 5374 1 8 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.462 -0.382 19604 5375 1 8 . 1 1 112 112 LEU H H 112 7.666 7.666 7.523 0.143 19604 5376 1 8 . 1 1 113 113 GLY N N 113 107.124 107.124 106.639 0.485 19604 5377 1 8 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.481 0.935 19604 5378 1 8 . 1 1 113 113 GLY H H 113 7.818 7.818 7.700 0.118 19604 5379 1 8 . 1 1 114 114 GLU N N 114 120.113 120.113 120.735 -0.622 19604 5380 1 8 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.585 -0.158 19604 5381 1 8 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.280 0.316 19604 5382 1 8 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.191 -0.481 19604 5383 1 8 . 1 1 114 114 GLU H H 114 7.895 7.895 7.756 0.139 19604 5384 1 8 . 1 1 115 115 LYS N N 115 124.920 124.920 126.297 -1.377 19604 5385 1 8 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.316 0.064 19604 5386 1 8 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.121 -0.728 19604 5387 1 8 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.675 -0.630 19604 5388 1 8 . 1 1 115 115 LYS H H 115 8.583 8.583 8.542 0.041 19604 5389 1 8 . 1 1 116 116 LEU N N 116 124.979 124.979 125.197 -0.218 19604 5390 1 8 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.966 -0.199 19604 5391 1 8 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.551 0.530 19604 5392 1 8 . 1 1 116 116 LEU CB C 116 44.532 44.532 44.470 0.062 19604 5393 1 8 . 1 1 116 116 LEU H H 116 8.082 8.082 8.349 -0.267 19604 5394 1 8 . 1 1 117 117 THR N N 117 114.448 114.448 113.856 0.592 19604 5395 1 8 . 1 1 117 117 THR HA H 117 4.452 4.452 4.398 0.054 19604 5396 1 8 . 1 1 117 117 THR CA C 117 60.690 60.690 60.463 0.227 19604 5397 1 8 . 1 1 117 117 THR CB C 117 71.051 71.051 70.252 0.799 19604 5398 1 8 . 1 1 117 117 THR H H 117 9.172 9.172 8.146 1.026 19604 5399 1 8 . 1 1 118 118 ASP N N 118 121.175 121.175 119.540 1.635 19604 5400 1 8 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.369 -0.156 19604 5401 1 8 . 1 1 118 118 ASP CA C 118 57.992 57.992 57.822 0.170 19604 5402 1 8 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.393 -0.723 19604 5403 1 8 . 1 1 118 118 ASP H H 118 8.889 8.889 8.807 0.082 19604 5404 1 8 . 1 1 119 119 GLU N N 119 119.386 119.386 119.225 0.161 19604 5405 1 8 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.113 -0.025 19604 5406 1 8 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.791 1.222 19604 5407 1 8 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.622 -0.449 19604 5408 1 8 . 1 1 119 119 GLU H H 119 8.665 8.665 8.044 0.621 19604 5409 1 8 . 1 1 120 120 GLU N N 120 120.564 120.564 119.959 0.605 19604 5410 1 8 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.137 -0.155 19604 5411 1 8 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.209 0.043 19604 5412 1 8 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.823 0.937 19604 5413 1 8 . 1 1 120 120 GLU H H 120 7.715 7.715 7.524 0.191 19604 5414 1 8 . 1 1 121 121 VAL N N 121 120.955 120.955 117.549 3.406 19604 5415 1 8 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.847 -0.391 19604 5416 1 8 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.767 1.114 19604 5417 1 8 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.293 0.037 19604 5418 1 8 . 1 1 121 121 VAL H H 121 8.050 8.050 8.324 -0.274 19604 5419 1 8 . 1 1 122 122 ASP N N 122 120.016 120.016 120.016 0.000 19604 5420 1 8 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.464 -0.101 19604 5421 1 8 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.388 0.326 19604 5422 1 8 . 1 1 122 122 ASP CB C 122 40.453 40.453 41.273 -0.820 19604 5423 1 8 . 1 1 122 122 ASP H H 122 7.980 7.980 7.723 0.257 19604 5424 1 8 . 1 1 123 123 GLU N N 123 119.913 119.913 120.784 -0.871 19604 5425 1 8 . 1 1 123 123 GLU HA H 123 4.045 4.045 3.984 0.061 19604 5426 1 8 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.381 -0.076 19604 5427 1 8 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.466 -0.188 19604 5428 1 8 . 1 1 123 123 GLU H H 123 8.033 8.033 7.702 0.332 19604 5429 1 8 . 1 1 124 124 MET N N 124 119.642 119.642 115.826 3.816 19604 5430 1 8 . 1 1 124 124 MET HA H 124 4.175 4.175 4.175 -0.000 19604 5431 1 8 . 1 1 124 124 MET CA C 124 60.420 60.420 58.979 1.441 19604 5432 1 8 . 1 1 124 124 MET CB C 124 33.408 33.408 32.439 0.969 19604 5433 1 8 . 1 1 124 124 MET H H 124 7.930 7.930 7.350 0.580 19604 5434 1 8 . 1 1 125 125 ILE N N 125 119.663 119.663 120.418 -0.755 19604 5435 1 8 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.727 -0.018 19604 5436 1 8 . 1 1 125 125 ILE CA C 125 64.339 64.339 63.870 0.469 19604 5437 1 8 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.540 -0.205 19604 5438 1 8 . 1 1 125 125 ILE H H 125 8.147 8.147 7.585 0.562 19604 5439 1 8 . 1 1 126 126 ARG N N 126 118.998 118.998 119.002 -0.004 19604 5440 1 8 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.959 0.113 19604 5441 1 8 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.432 0.396 19604 5442 1 8 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.223 0.108 19604 5443 1 8 . 1 1 126 126 ARG H H 126 8.431 8.431 7.864 0.567 19604 5444 1 8 . 1 1 127 127 GLU N N 127 116.058 116.058 118.492 -2.434 19604 5445 1 8 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.150 -0.166 19604 5446 1 8 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.600 0.205 19604 5447 1 8 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.628 0.178 19604 5448 1 8 . 1 1 127 127 GLU H H 127 7.899 7.899 7.701 0.198 19604 5449 1 8 . 1 1 128 128 ALA N N 128 117.702 117.702 119.108 -1.406 19604 5450 1 8 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.194 0.259 19604 5451 1 8 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.063 -1.343 19604 5452 1 8 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.581 2.805 19604 5453 1 8 . 1 1 128 128 ALA H H 128 7.222 7.222 7.443 -0.221 19604 5454 1 8 . 1 1 129 129 ASP N N 129 117.996 117.996 119.648 -1.652 19604 5455 1 8 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.716 -0.219 19604 5456 1 8 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.059 0.277 19604 5457 1 8 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.575 1.107 19604 5458 1 8 . 1 1 129 129 ASP H H 129 7.947 7.947 8.074 -0.127 19604 5459 1 8 . 1 1 130 130 ILE N N 130 128.199 128.199 124.331 3.868 19604 5460 1 8 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.849 0.059 19604 5461 1 8 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.588 -0.155 19604 5462 1 8 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.492 0.246 19604 5463 1 8 . 1 1 130 130 ILE H H 130 8.399 8.399 8.106 0.293 19604 5464 1 8 . 1 1 131 131 ASP N N 131 116.628 116.628 117.586 -0.958 19604 5465 1 8 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.499 0.014 19604 5466 1 8 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.799 0.029 19604 5467 1 8 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.343 -0.354 19604 5468 1 8 . 1 1 131 131 ASP H H 131 8.258 8.258 8.095 0.163 19604 5469 1 8 . 1 1 132 132 GLY N N 132 108.616 108.616 108.430 0.186 19604 5470 1 8 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.060 1.466 19604 5471 1 8 . 1 1 132 132 GLY H H 132 7.559 7.559 7.657 -0.098 19604 5472 1 8 . 1 1 133 133 ASP N N 133 120.901 120.901 119.943 0.958 19604 5473 1 8 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.559 -0.081 19604 5474 1 8 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.734 -0.081 19604 5475 1 8 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.406 -1.135 19604 5476 1 8 . 1 1 133 133 ASP H H 133 8.340 8.340 8.710 -0.370 19604 5477 1 8 . 1 1 134 134 GLY N N 134 112.918 112.918 109.122 3.796 19604 5478 1 8 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.961 0.907 19604 5479 1 8 . 1 1 134 134 GLY H H 134 10.366 10.366 8.822 1.544 19604 5480 1 8 . 1 1 135 135 GLN N N 135 115.297 115.297 117.711 -2.414 19604 5481 1 8 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.661 0.256 19604 5482 1 8 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.901 -1.674 19604 5483 1 8 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.572 -1.230 19604 5484 1 8 . 1 1 135 135 GLN H H 135 8.012 8.012 8.510 -0.498 19604 5485 1 8 . 1 1 136 136 VAL N N 136 125.463 125.463 121.961 3.502 19604 5486 1 8 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.033 0.185 19604 5487 1 8 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.923 0.740 19604 5488 1 8 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.868 0.890 19604 5489 1 8 . 1 1 136 136 VAL H H 136 9.133 9.133 8.712 0.421 19604 5490 1 8 . 1 1 137 137 ASN N N 137 129.402 129.402 125.972 3.430 19604 5491 1 8 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.642 0.657 19604 5492 1 8 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.633 0.393 19604 5493 1 8 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.388 -1.103 19604 5494 1 8 . 1 1 137 137 ASN H H 137 9.634 9.634 8.619 1.015 19604 5495 1 8 . 1 1 138 138 TYR N N 138 118.585 118.585 122.319 -3.734 19604 5496 1 8 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.327 0.015 19604 5497 1 8 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.560 -1.043 19604 5498 1 8 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.246 -0.550 19604 5499 1 8 . 1 1 138 138 TYR H H 138 8.400 8.400 8.632 -0.232 19604 5500 1 8 . 1 1 139 139 GLU N N 139 118.692 118.692 118.972 -0.280 19604 5501 1 8 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.704 -0.086 19604 5502 1 8 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.864 0.450 19604 5503 1 8 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.081 -0.081 19604 5504 1 8 . 1 1 139 139 GLU H H 139 8.095 8.095 8.491 -0.396 19604 5505 1 8 . 1 1 140 140 GLU N N 140 119.980 119.980 119.473 0.507 19604 5506 1 8 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.010 -0.105 19604 5507 1 8 . 1 1 140 140 GLU CA C 140 58.532 58.532 59.088 -0.556 19604 5508 1 8 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.653 0.054 19604 5509 1 8 . 1 1 140 140 GLU H H 140 8.759 8.759 8.586 0.173 19604 5510 1 8 . 1 1 141 141 PHE N N 141 123.408 123.408 121.415 1.993 19604 5511 1 8 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.125 -0.394 19604 5512 1 8 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.618 0.365 19604 5513 1 8 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.385 0.788 19604 5514 1 8 . 1 1 141 141 PHE H H 141 8.639 8.639 8.496 0.143 19604 5515 1 8 . 1 1 142 142 VAL N N 142 119.839 119.839 118.885 0.954 19604 5516 1 8 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.382 -0.338 19604 5517 1 8 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.246 0.872 19604 5518 1 8 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.592 0.923 19604 5519 1 8 . 1 1 142 142 VAL H H 142 8.781 8.781 8.563 0.218 19604 5520 1 8 . 1 1 143 143 GLN N N 143 118.240 118.240 117.973 0.267 19604 5521 1 8 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.977 -0.175 19604 5522 1 8 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.003 0.814 19604 5523 1 8 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.193 -0.018 19604 5524 1 8 . 1 1 143 143 GLN H H 143 7.491 7.491 7.368 0.123 19604 5525 1 8 . 1 1 144 144 MET N N 144 116.028 116.028 119.044 -3.016 19604 5526 1 8 . 1 1 144 144 MET HA H 144 4.145 4.145 4.114 0.031 19604 5527 1 8 . 1 1 144 144 MET CA C 144 55.939 55.939 57.498 -1.559 19604 5528 1 8 . 1 1 144 144 MET CB C 144 31.345 31.345 32.358 -1.013 19604 5529 1 8 . 1 1 144 144 MET H H 144 7.176 7.176 7.552 -0.376 19604 5530 1 8 . 1 1 145 145 MET N N 145 116.272 116.272 118.528 -2.256 19604 5531 1 8 . 1 1 145 145 MET HA H 145 4.301 4.301 4.118 0.183 19604 5532 1 8 . 1 1 145 145 MET CA C 145 55.416 55.416 58.052 -2.636 19604 5533 1 8 . 1 1 145 145 MET CB C 145 32.831 32.831 33.090 -0.259 19604 5534 1 8 . 1 1 145 145 MET H H 145 7.831 7.831 8.039 -0.208 19604 5535 1 8 . 1 1 146 146 THR N N 146 110.389 110.389 112.798 -2.409 19604 5536 1 8 . 1 1 146 146 THR HA H 146 4.308 4.308 4.433 -0.125 19604 5537 1 8 . 1 1 146 146 THR CA C 146 61.942 61.942 61.687 0.255 19604 5538 1 8 . 1 1 146 146 THR CB C 146 70.244 70.244 69.038 1.206 19604 5539 1 8 . 1 1 146 146 THR H H 146 7.474 7.474 7.588 -0.114 19604 5540 1 8 . 1 1 147 147 ALA N N 147 126.864 126.864 125.160 1.704 19604 5541 1 8 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.336 -0.128 19604 5542 1 8 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.560 0.438 19604 5543 1 8 . 1 1 147 147 ALA CB C 147 19.116 19.116 20.161 -1.045 19604 5544 1 8 . 1 1 147 147 ALA H H 147 7.622 7.622 7.347 0.275 19604 5545 1 9 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.708 -0.068 19604 5546 1 9 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.282 0.331 19604 5547 1 9 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.648 -0.297 19604 5548 1 9 . 1 1 3 3 GLN N N 3 120.300 120.300 120.839 -0.539 19604 5549 1 9 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.703 -0.330 19604 5550 1 9 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.871 -0.373 19604 5551 1 9 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.944 -0.166 19604 5552 1 9 . 1 1 3 3 GLN H H 3 8.388 8.388 8.133 0.255 19604 5553 1 9 . 1 1 4 4 LEU N N 4 123.525 123.525 125.235 -1.710 19604 5554 1 9 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.766 -0.079 19604 5555 1 9 . 1 1 4 4 LEU CA C 4 54.359 54.359 53.990 0.369 19604 5556 1 9 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.256 0.397 19604 5557 1 9 . 1 1 4 4 LEU H H 4 8.299 8.299 8.440 -0.141 19604 5558 1 9 . 1 1 5 5 THR N N 5 113.299 113.299 110.722 2.577 19604 5559 1 9 . 1 1 5 5 THR HA H 5 4.476 4.476 4.534 -0.058 19604 5560 1 9 . 1 1 5 5 THR CA C 5 60.463 60.463 60.256 0.207 19604 5561 1 9 . 1 1 5 5 THR CB C 5 71.250 71.250 71.849 -0.599 19604 5562 1 9 . 1 1 5 5 THR H H 5 8.651 8.651 7.628 1.023 19604 5563 1 9 . 1 1 6 6 GLU N N 6 120.620 120.620 120.913 -0.293 19604 5564 1 9 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.019 -0.044 19604 5565 1 9 . 1 1 6 6 GLU CA C 6 59.935 59.935 59.925 0.010 19604 5566 1 9 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.460 -0.261 19604 5567 1 9 . 1 1 6 6 GLU H H 6 9.014 9.014 8.929 0.085 19604 5568 1 9 . 1 1 7 7 GLU N N 7 119.586 119.586 118.196 1.390 19604 5569 1 9 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.058 0.010 19604 5570 1 9 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.275 0.668 19604 5571 1 9 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.340 -0.262 19604 5572 1 9 . 1 1 7 7 GLU H H 7 8.713 8.713 8.022 0.691 19604 5573 1 9 . 1 1 8 8 GLN N N 8 120.413 120.413 119.289 1.124 19604 5574 1 9 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.181 -0.356 19604 5575 1 9 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.468 0.307 19604 5576 1 9 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.908 0.552 19604 5577 1 9 . 1 1 8 8 GLN H H 8 7.719 7.719 7.706 0.013 19604 5578 1 9 . 1 1 9 9 ILE N N 9 119.362 119.362 120.618 -1.256 19604 5579 1 9 . 1 1 9 9 ILE HA H 9 3.668 3.668 4.045 -0.377 19604 5580 1 9 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.915 1.320 19604 5581 1 9 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.804 0.017 19604 5582 1 9 . 1 1 9 9 ILE H H 9 8.267 8.267 8.474 -0.207 19604 5583 1 9 . 1 1 10 10 ALA N N 10 121.321 121.321 121.800 -0.479 19604 5584 1 9 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.007 0.111 19604 5585 1 9 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.429 -0.032 19604 5586 1 9 . 1 1 10 10 ALA CB C 10 17.796 17.796 18.151 -0.355 19604 5587 1 9 . 1 1 10 10 ALA H H 10 8.023 8.023 8.329 -0.306 19604 5588 1 9 . 1 1 11 11 GLU N N 11 119.865 119.865 118.599 1.266 19604 5589 1 9 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.060 0.081 19604 5590 1 9 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.806 0.605 19604 5591 1 9 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.322 -0.114 19604 5592 1 9 . 1 1 11 11 GLU H H 11 7.761 7.761 7.572 0.189 19604 5593 1 9 . 1 1 12 12 PHE N N 12 119.971 119.971 119.407 0.564 19604 5594 1 9 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.300 0.723 19604 5595 1 9 . 1 1 12 12 PHE CA C 12 58.712 58.712 61.251 -2.539 19604 5596 1 9 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.644 -1.127 19604 5597 1 9 . 1 1 12 12 PHE H H 12 8.479 8.479 7.430 1.049 19604 5598 1 9 . 1 1 13 13 LYS N N 13 123.604 123.604 118.821 4.783 19604 5599 1 9 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.079 -0.105 19604 5600 1 9 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.109 -0.153 19604 5601 1 9 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.332 -0.554 19604 5602 1 9 . 1 1 13 13 LYS H H 13 9.222 9.222 8.921 0.301 19604 5603 1 9 . 1 1 14 14 GLU N N 14 120.976 120.976 118.820 2.156 19604 5604 1 9 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.162 -0.049 19604 5605 1 9 . 1 1 14 14 GLU CA C 14 59.562 59.562 58.962 0.600 19604 5606 1 9 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.385 0.030 19604 5607 1 9 . 1 1 14 14 GLU H H 14 7.924 7.924 7.809 0.115 19604 5608 1 9 . 1 1 15 15 ALA N N 15 122.303 122.303 122.473 -0.170 19604 5609 1 9 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.132 0.192 19604 5610 1 9 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.933 0.205 19604 5611 1 9 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.267 -0.265 19604 5612 1 9 . 1 1 15 15 ALA H H 15 7.990 7.990 7.825 0.165 19604 5613 1 9 . 1 1 16 16 PHE N N 16 119.011 119.011 118.642 0.369 19604 5614 1 9 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.446 -0.176 19604 5615 1 9 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.954 1.034 19604 5616 1 9 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.073 0.833 19604 5617 1 9 . 1 1 16 16 PHE H H 16 8.666 8.666 7.803 0.863 19604 5618 1 9 . 1 1 17 17 SER N N 17 113.988 113.988 113.841 0.147 19604 5619 1 9 . 1 1 17 17 SER HA H 17 4.086 4.086 4.040 0.046 19604 5620 1 9 . 1 1 17 17 SER CA C 17 61.532 61.532 60.989 0.543 19604 5621 1 9 . 1 1 17 17 SER CB C 17 62.921 62.921 63.079 -0.158 19604 5622 1 9 . 1 1 17 17 SER H H 17 8.202 8.202 7.771 0.431 19604 5623 1 9 . 1 1 18 18 LEU N N 18 120.913 120.913 120.127 0.786 19604 5624 1 9 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.005 -0.054 19604 5625 1 9 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.015 0.472 19604 5626 1 9 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.183 -0.660 19604 5627 1 9 . 1 1 18 18 LEU H H 18 7.280 7.280 7.257 0.023 19604 5628 1 9 . 1 1 19 19 PHE N N 19 113.613 113.613 114.673 -1.060 19604 5629 1 9 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.228 -0.196 19604 5630 1 9 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.693 -0.287 19604 5631 1 9 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.545 2.012 19604 5632 1 9 . 1 1 19 19 PHE H H 19 7.070 7.070 7.209 -0.139 19604 5633 1 9 . 1 1 20 20 ASP N N 20 117.393 117.393 119.495 -2.102 19604 5634 1 9 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.346 0.247 19604 5635 1 9 . 1 1 20 20 ASP CA C 20 52.468 52.468 54.576 -2.108 19604 5636 1 9 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.281 -0.984 19604 5637 1 9 . 1 1 20 20 ASP H H 20 7.790 7.790 7.779 0.011 19604 5638 1 9 . 1 1 21 21 LYS N N 21 124.292 124.292 124.202 0.090 19604 5639 1 9 . 1 1 21 21 LYS HA H 21 3.978 3.978 3.999 -0.021 19604 5640 1 9 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.324 -0.004 19604 5641 1 9 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.867 -0.194 19604 5642 1 9 . 1 1 21 21 LYS H H 21 7.707 7.707 8.088 -0.381 19604 5643 1 9 . 1 1 22 22 ASP N N 22 114.139 114.139 115.299 -1.160 19604 5644 1 9 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.479 0.101 19604 5645 1 9 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.875 -1.084 19604 5646 1 9 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.250 -0.685 19604 5647 1 9 . 1 1 22 22 ASP H H 22 8.025 8.025 8.262 -0.237 19604 5648 1 9 . 1 1 23 23 GLY N N 23 109.378 109.378 109.387 -0.009 19604 5649 1 9 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.249 0.967 19604 5650 1 9 . 1 1 23 23 GLY H H 23 7.661 7.661 7.645 0.016 19604 5651 1 9 . 1 1 24 24 ASP N N 24 121.022 121.022 120.887 0.135 19604 5652 1 9 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.611 -0.096 19604 5653 1 9 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.346 0.332 19604 5654 1 9 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.998 -1.495 19604 5655 1 9 . 1 1 24 24 ASP H H 24 8.466 8.466 8.298 0.168 19604 5656 1 9 . 1 1 25 25 GLY N N 25 112.810 112.810 110.033 2.777 19604 5657 1 9 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.433 -0.087 19604 5658 1 9 . 1 1 25 25 GLY H H 25 10.507 10.507 9.317 1.190 19604 5659 1 9 . 1 1 26 26 THR N N 26 112.094 112.094 111.857 0.237 19604 5660 1 9 . 1 1 26 26 THR HA H 26 5.431 5.431 5.477 -0.046 19604 5661 1 9 . 1 1 26 26 THR CA C 26 59.576 59.576 60.676 -1.101 19604 5662 1 9 . 1 1 26 26 THR CB C 26 72.730 72.730 71.904 0.826 19604 5663 1 9 . 1 1 26 26 THR H H 26 8.191 8.191 8.425 -0.234 19604 5664 1 9 . 1 1 27 27 ILE N N 27 126.447 126.447 127.311 -0.864 19604 5665 1 9 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.784 -0.017 19604 5666 1 9 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.564 0.566 19604 5667 1 9 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.355 1.633 19604 5668 1 9 . 1 1 27 27 ILE H H 27 9.845 9.845 8.958 0.887 19604 5669 1 9 . 1 1 28 28 THR N N 28 116.315 116.315 118.047 -1.732 19604 5670 1 9 . 1 1 28 28 THR HA H 28 4.894 4.894 4.997 -0.103 19604 5671 1 9 . 1 1 28 28 THR CA C 28 59.217 59.217 59.435 -0.218 19604 5672 1 9 . 1 1 28 28 THR CB C 28 72.480 72.480 71.913 0.567 19604 5673 1 9 . 1 1 28 28 THR H H 28 8.322 8.322 9.270 -0.948 19604 5674 1 9 . 1 1 29 29 THR N N 29 112.270 112.270 112.656 -0.386 19604 5675 1 9 . 1 1 29 29 THR HA H 29 3.790 3.790 4.086 -0.296 19604 5676 1 9 . 1 1 29 29 THR CA C 29 66.207 66.207 65.807 0.400 19604 5677 1 9 . 1 1 29 29 THR CB C 29 67.737 67.737 67.948 -0.211 19604 5678 1 9 . 1 1 29 29 THR H H 29 9.251 9.251 8.901 0.350 19604 5679 1 9 . 1 1 30 30 LYS N N 30 121.127 121.127 120.963 0.164 19604 5680 1 9 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.236 -0.118 19604 5681 1 9 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.607 0.650 19604 5682 1 9 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.048 0.485 19604 5683 1 9 . 1 1 30 30 LYS H H 30 7.569 7.569 7.618 -0.049 19604 5684 1 9 . 1 1 31 31 GLU N N 31 121.876 121.876 120.460 1.416 19604 5685 1 9 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.150 -0.134 19604 5686 1 9 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.334 0.123 19604 5687 1 9 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.651 -0.100 19604 5688 1 9 . 1 1 31 31 GLU H H 31 7.715 7.715 7.509 0.206 19604 5689 1 9 . 1 1 32 32 LEU N N 32 120.674 120.674 120.938 -0.264 19604 5690 1 9 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.214 -0.020 19604 5691 1 9 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.734 0.452 19604 5692 1 9 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.517 0.639 19604 5693 1 9 . 1 1 32 32 LEU H H 32 8.592 8.592 8.278 0.314 19604 5694 1 9 . 1 1 33 33 GLY N N 33 106.859 106.859 105.436 1.423 19604 5695 1 9 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.197 1.030 19604 5696 1 9 . 1 1 33 33 GLY H H 33 8.861 8.861 7.894 0.967 19604 5697 1 9 . 1 1 34 34 THR N N 34 118.512 118.512 119.775 -1.263 19604 5698 1 9 . 1 1 34 34 THR HA H 34 3.935 3.935 3.890 0.045 19604 5699 1 9 . 1 1 34 34 THR CA C 34 66.964 66.964 66.793 0.171 19604 5700 1 9 . 1 1 34 34 THR CB C 34 68.610 68.610 68.826 -0.216 19604 5701 1 9 . 1 1 34 34 THR H H 34 7.965 7.965 7.457 0.508 19604 5702 1 9 . 1 1 35 35 VAL N N 35 122.456 122.456 121.969 0.487 19604 5703 1 9 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.626 -0.055 19604 5704 1 9 . 1 1 35 35 VAL CA C 35 66.559 66.559 67.051 -0.492 19604 5705 1 9 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.861 -0.330 19604 5706 1 9 . 1 1 35 35 VAL H H 35 7.532 7.532 7.578 -0.046 19604 5707 1 9 . 1 1 36 36 MET N N 36 118.015 118.015 119.147 -1.132 19604 5708 1 9 . 1 1 36 36 MET HA H 36 3.899 3.899 4.114 -0.215 19604 5709 1 9 . 1 1 36 36 MET CA C 36 60.156 60.156 58.344 1.812 19604 5710 1 9 . 1 1 36 36 MET CB C 36 31.731 31.731 32.261 -0.530 19604 5711 1 9 . 1 1 36 36 MET H H 36 8.525 8.525 8.270 0.255 19604 5712 1 9 . 1 1 37 37 ARG N N 37 119.604 119.604 118.197 1.407 19604 5713 1 9 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.995 0.786 19604 5714 1 9 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.792 -0.536 19604 5715 1 9 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.061 -0.448 19604 5716 1 9 . 1 1 37 37 ARG H H 37 8.579 8.579 7.931 0.648 19604 5717 1 9 . 1 1 38 38 SER N N 38 119.543 119.543 114.643 4.900 19604 5718 1 9 . 1 1 38 38 SER HA H 38 4.396 4.396 4.262 0.134 19604 5719 1 9 . 1 1 38 38 SER CA C 38 61.758 61.758 60.956 0.802 19604 5720 1 9 . 1 1 38 38 SER CB C 38 62.691 62.691 62.674 0.017 19604 5721 1 9 . 1 1 38 38 SER H H 38 7.939 7.939 7.573 0.366 19604 5722 1 9 . 1 1 39 39 LEU N N 39 120.454 120.454 120.080 0.374 19604 5723 1 9 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.304 0.137 19604 5724 1 9 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.589 -0.973 19604 5725 1 9 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.193 -0.063 19604 5726 1 9 . 1 1 39 39 LEU H H 39 7.394 7.394 7.805 -0.411 19604 5727 1 9 . 1 1 40 40 GLY N N 40 107.378 107.378 106.097 1.281 19604 5728 1 9 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.470 1.145 19604 5729 1 9 . 1 1 40 40 GLY H H 40 7.897 7.897 7.532 0.365 19604 5730 1 9 . 1 1 41 41 GLN N N 41 118.330 118.330 119.901 -1.571 19604 5731 1 9 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.444 0.057 19604 5732 1 9 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.664 -0.346 19604 5733 1 9 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.671 -1.177 19604 5734 1 9 . 1 1 41 41 GLN H H 41 7.883 7.883 8.089 -0.206 19604 5735 1 9 . 1 1 42 42 ASN N N 42 116.488 116.488 123.196 -6.708 19604 5736 1 9 . 1 1 42 42 ASN HA H 42 5.212 5.212 4.999 0.213 19604 5737 1 9 . 1 1 42 42 ASN CA C 42 51.128 51.128 50.106 1.022 19604 5738 1 9 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.854 0.317 19604 5739 1 9 . 1 1 42 42 ASN H H 42 8.697 8.697 8.669 0.028 19604 5740 1 9 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.505 0.279 19604 5741 1 9 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.775 -0.453 19604 5742 1 9 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.525 -0.247 19604 5743 1 9 . 1 1 44 44 THR N N 44 112.452 112.452 111.858 0.594 19604 5744 1 9 . 1 1 44 44 THR HA H 44 4.461 4.461 4.445 0.016 19604 5745 1 9 . 1 1 44 44 THR CA C 44 60.411 60.411 60.004 0.407 19604 5746 1 9 . 1 1 44 44 THR CB C 44 71.068 71.068 71.087 -0.019 19604 5747 1 9 . 1 1 44 44 THR H H 44 8.678 8.678 8.159 0.519 19604 5748 1 9 . 1 1 45 45 GLU N N 45 120.954 120.954 123.763 -2.809 19604 5749 1 9 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.909 0.101 19604 5750 1 9 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.301 -0.418 19604 5751 1 9 . 1 1 45 45 GLU H H 45 8.803 8.803 8.985 -0.182 19604 5752 1 9 . 1 1 46 46 ALA N N 46 120.643 120.643 120.342 0.301 19604 5753 1 9 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.156 -0.039 19604 5754 1 9 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.374 0.639 19604 5755 1 9 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.185 -0.012 19604 5756 1 9 . 1 1 46 46 ALA H H 46 8.272 8.272 8.224 0.048 19604 5757 1 9 . 1 1 47 47 GLU N N 47 119.059 119.059 120.293 -1.234 19604 5758 1 9 . 1 1 47 47 GLU HA H 47 4.035 4.035 3.931 0.104 19604 5759 1 9 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.200 -0.038 19604 5760 1 9 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.685 0.241 19604 5761 1 9 . 1 1 47 47 GLU H H 47 7.686 7.686 7.639 0.047 19604 5762 1 9 . 1 1 48 48 LEU N N 48 119.848 119.848 119.380 0.468 19604 5763 1 9 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.905 0.120 19604 5764 1 9 . 1 1 48 48 LEU CA C 48 57.841 57.841 57.733 0.107 19604 5765 1 9 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.709 0.721 19604 5766 1 9 . 1 1 48 48 LEU H H 48 8.036 8.036 8.436 -0.400 19604 5767 1 9 . 1 1 49 49 GLN N N 49 118.226 118.226 117.376 0.850 19604 5768 1 9 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.992 -0.189 19604 5769 1 9 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.282 0.279 19604 5770 1 9 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.866 0.376 19604 5771 1 9 . 1 1 49 49 GLN H H 49 8.323 8.323 7.716 0.607 19604 5772 1 9 . 1 1 50 50 ASP N N 50 119.928 119.928 120.989 -1.061 19604 5773 1 9 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.292 0.106 19604 5774 1 9 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.815 0.794 19604 5775 1 9 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.615 0.018 19604 5776 1 9 . 1 1 50 50 ASP H H 50 8.147 8.147 7.740 0.407 19604 5777 1 9 . 1 1 51 51 MET N N 51 117.796 117.796 118.542 -0.746 19604 5778 1 9 . 1 1 51 51 MET HA H 51 4.050 4.050 3.963 0.087 19604 5779 1 9 . 1 1 51 51 MET CA C 51 59.555 59.555 59.520 0.035 19604 5780 1 9 . 1 1 51 51 MET CB C 51 32.846 32.846 32.583 0.263 19604 5781 1 9 . 1 1 51 51 MET H H 51 7.814 7.814 7.606 0.208 19604 5782 1 9 . 1 1 52 52 ILE N N 52 118.474 118.474 119.315 -0.841 19604 5783 1 9 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.551 0.048 19604 5784 1 9 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.832 -0.726 19604 5785 1 9 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.442 -0.383 19604 5786 1 9 . 1 1 52 52 ILE H H 52 7.685 7.685 7.665 0.020 19604 5787 1 9 . 1 1 53 53 ASN N N 53 118.591 118.591 117.037 1.554 19604 5788 1 9 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.434 -0.017 19604 5789 1 9 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.348 0.557 19604 5790 1 9 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.836 0.155 19604 5791 1 9 . 1 1 53 53 ASN H H 53 8.786 8.786 8.090 0.696 19604 5792 1 9 . 1 1 54 54 GLU N N 54 115.327 115.327 116.556 -1.229 19604 5793 1 9 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.095 -0.047 19604 5794 1 9 . 1 1 54 54 GLU CA C 54 59.077 59.077 57.996 1.081 19604 5795 1 9 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.807 1.118 19604 5796 1 9 . 1 1 54 54 GLU H H 54 7.368 7.368 8.036 -0.668 19604 5797 1 9 . 1 1 55 55 VAL N N 55 111.285 111.285 109.675 1.610 19604 5798 1 9 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.163 0.064 19604 5799 1 9 . 1 1 55 55 VAL CA C 55 60.832 60.832 61.543 -0.711 19604 5800 1 9 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.721 0.595 19604 5801 1 9 . 1 1 55 55 VAL H H 55 7.133 7.133 7.050 0.083 19604 5802 1 9 . 1 1 56 56 ASP N N 56 121.291 121.291 122.950 -1.659 19604 5803 1 9 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.747 -0.279 19604 5804 1 9 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.407 -0.707 19604 5805 1 9 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.412 0.171 19604 5806 1 9 . 1 1 56 56 ASP H H 56 7.567 7.567 7.776 -0.209 19604 5807 1 9 . 1 1 57 57 ALA N N 57 131.432 131.432 128.733 2.699 19604 5808 1 9 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.149 0.080 19604 5809 1 9 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.716 0.639 19604 5810 1 9 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.750 -0.056 19604 5811 1 9 . 1 1 57 57 ALA H H 57 8.064 8.064 8.213 -0.149 19604 5812 1 9 . 1 1 58 58 ASP N N 58 114.063 114.063 116.376 -2.313 19604 5813 1 9 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.591 0.046 19604 5814 1 9 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.251 -0.483 19604 5815 1 9 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.630 -0.782 19604 5816 1 9 . 1 1 58 58 ASP H H 58 8.211 8.211 8.057 0.154 19604 5817 1 9 . 1 1 59 59 GLY N N 59 108.646 108.646 109.605 -0.959 19604 5818 1 9 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.928 1.272 19604 5819 1 9 . 1 1 59 59 GLY H H 59 7.584 7.584 7.975 -0.391 19604 5820 1 9 . 1 1 60 60 ASN N N 60 118.886 118.886 119.411 -0.525 19604 5821 1 9 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.726 -0.106 19604 5822 1 9 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.371 0.305 19604 5823 1 9 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.804 -2.225 19604 5824 1 9 . 1 1 60 60 ASN H H 60 8.162 8.162 8.549 -0.387 19604 5825 1 9 . 1 1 61 61 GLY N N 61 113.458 113.458 110.318 3.140 19604 5826 1 9 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.505 0.134 19604 5827 1 9 . 1 1 61 61 GLY H H 61 10.568 10.568 9.213 1.355 19604 5828 1 9 . 1 1 62 62 THR N N 62 108.490 108.490 110.213 -1.723 19604 5829 1 9 . 1 1 62 62 THR HA H 62 4.800 4.800 5.216 -0.416 19604 5830 1 9 . 1 1 62 62 THR CA C 62 59.327 59.327 60.213 -0.886 19604 5831 1 9 . 1 1 62 62 THR CB C 62 72.409 72.409 72.287 0.122 19604 5832 1 9 . 1 1 62 62 THR H H 62 7.643 7.643 8.397 -0.754 19604 5833 1 9 . 1 1 63 63 ILE N N 63 123.350 123.350 122.189 1.161 19604 5834 1 9 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.368 0.846 19604 5835 1 9 . 1 1 63 63 ILE CA C 63 59.051 59.051 58.827 0.224 19604 5836 1 9 . 1 1 63 63 ILE CB C 63 39.605 39.605 37.486 2.119 19604 5837 1 9 . 1 1 63 63 ILE H H 63 8.544 8.544 8.539 0.005 19604 5838 1 9 . 1 1 64 64 ASP N N 64 128.480 128.480 128.357 0.123 19604 5839 1 9 . 1 1 64 64 ASP HA H 64 5.507 5.507 4.875 0.632 19604 5840 1 9 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.243 -1.258 19604 5841 1 9 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.686 -0.483 19604 5842 1 9 . 1 1 64 64 ASP H H 64 8.902 8.902 8.540 0.362 19604 5843 1 9 . 1 1 65 65 PHE N N 65 118.622 118.622 120.130 -1.508 19604 5844 1 9 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.443 0.536 19604 5845 1 9 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.205 1.880 19604 5846 1 9 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.606 -0.704 19604 5847 1 9 . 1 1 65 65 PHE H H 65 8.967 8.967 8.758 0.209 19604 5848 1 9 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.643 0.245 19604 5849 1 9 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.858 1.992 19604 5850 1 9 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.715 0.085 19604 5851 1 9 . 1 1 67 67 GLU N N 67 118.243 118.243 118.593 -0.350 19604 5852 1 9 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.920 0.045 19604 5853 1 9 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.703 -0.658 19604 5854 1 9 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.857 1.017 19604 5855 1 9 . 1 1 67 67 GLU H H 67 8.420 8.420 8.212 0.208 19604 5856 1 9 . 1 1 68 68 PHE N N 68 124.020 124.020 119.617 4.403 19604 5857 1 9 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.294 -0.509 19604 5858 1 9 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.742 0.745 19604 5859 1 9 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.641 1.141 19604 5860 1 9 . 1 1 68 68 PHE H H 68 8.638 8.638 7.546 1.092 19604 5861 1 9 . 1 1 69 69 LEU N N 69 120.062 120.062 121.325 -1.263 19604 5862 1 9 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.940 -0.572 19604 5863 1 9 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.740 0.114 19604 5864 1 9 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.358 0.026 19604 5865 1 9 . 1 1 69 69 LEU H H 69 8.972 8.972 7.432 1.540 19604 5866 1 9 . 1 1 70 70 THR N N 70 115.488 115.488 114.514 0.974 19604 5867 1 9 . 1 1 70 70 THR HA H 70 3.697 3.697 3.691 0.006 19604 5868 1 9 . 1 1 70 70 THR CA C 70 66.558 66.558 66.350 0.208 19604 5869 1 9 . 1 1 70 70 THR CB C 70 68.396 68.396 68.546 -0.150 19604 5870 1 9 . 1 1 70 70 THR H H 70 7.855 7.855 8.254 -0.399 19604 5871 1 9 . 1 1 71 71 MET N N 71 119.627 119.627 120.004 -0.377 19604 5872 1 9 . 1 1 71 71 MET HA H 71 3.757 3.757 4.063 -0.306 19604 5873 1 9 . 1 1 71 71 MET CA C 71 58.334 58.334 58.666 -0.332 19604 5874 1 9 . 1 1 71 71 MET CB C 71 30.736 30.736 32.111 -1.375 19604 5875 1 9 . 1 1 71 71 MET H H 71 7.155 7.155 7.346 -0.191 19604 5876 1 9 . 1 1 72 72 MET N N 72 116.046 116.046 115.590 0.456 19604 5877 1 9 . 1 1 72 72 MET HA H 72 3.977 3.977 4.352 -0.375 19604 5878 1 9 . 1 1 72 72 MET CA C 72 55.138 55.138 57.104 -1.966 19604 5879 1 9 . 1 1 72 72 MET CB C 72 29.103 29.103 32.638 -3.535 19604 5880 1 9 . 1 1 72 72 MET H H 72 7.646 7.646 7.505 0.141 19604 5881 1 9 . 1 1 73 73 ALA N N 73 120.685 120.685 122.411 -1.726 19604 5882 1 9 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.065 0.117 19604 5883 1 9 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.311 -1.211 19604 5884 1 9 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.435 0.857 19604 5885 1 9 . 1 1 73 73 ALA H H 73 8.080 8.080 8.021 0.059 19604 5886 1 9 . 1 1 74 74 ARG N N 74 118.501 118.501 118.616 -0.115 19604 5887 1 9 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.032 0.156 19604 5888 1 9 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.032 -1.056 19604 5889 1 9 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.977 0.540 19604 5890 1 9 . 1 1 74 74 ARG H H 74 7.367 7.367 8.188 -0.821 19604 5891 1 9 . 1 1 76 76 MET HA H 76 4.413 4.413 4.278 0.135 19604 5892 1 9 . 1 1 76 76 MET CA C 76 55.804 55.804 57.285 -1.481 19604 5893 1 9 . 1 1 76 76 MET CB C 76 33.291 33.291 32.767 0.524 19604 5894 1 9 . 1 1 77 77 LYS N N 77 121.563 121.563 119.217 2.346 19604 5895 1 9 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.204 0.117 19604 5896 1 9 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.504 -0.086 19604 5897 1 9 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.348 -0.097 19604 5898 1 9 . 1 1 77 77 LYS H H 77 8.253 8.253 7.549 0.704 19604 5899 1 9 . 1 1 78 78 ASP N N 78 121.953 121.953 120.074 1.879 19604 5900 1 9 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.657 -0.039 19604 5901 1 9 . 1 1 78 78 ASP CA C 78 54.855 54.855 54.699 0.156 19604 5902 1 9 . 1 1 78 78 ASP CB C 78 41.116 41.116 41.031 0.085 19604 5903 1 9 . 1 1 78 78 ASP H H 78 8.362 8.362 8.481 -0.119 19604 5904 1 9 . 1 1 79 79 THR N N 79 113.276 113.276 113.615 -0.339 19604 5905 1 9 . 1 1 79 79 THR HA H 79 4.305 4.305 4.476 -0.171 19604 5906 1 9 . 1 1 79 79 THR CA C 79 62.124 62.124 62.094 0.030 19604 5907 1 9 . 1 1 79 79 THR CB C 79 69.634 69.634 69.586 0.048 19604 5908 1 9 . 1 1 79 79 THR H H 79 8.014 8.014 7.997 0.017 19604 5909 1 9 . 1 1 80 80 ASP N N 80 122.850 122.850 122.842 0.008 19604 5910 1 9 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.685 -0.010 19604 5911 1 9 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.413 0.242 19604 5912 1 9 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.944 0.480 19604 5913 1 9 . 1 1 80 80 ASP H H 80 8.316 8.316 8.108 0.208 19604 5914 1 9 . 1 1 81 81 SER N N 81 116.864 116.864 116.358 0.506 19604 5915 1 9 . 1 1 81 81 SER HA H 81 4.429 4.429 4.116 0.313 19604 5916 1 9 . 1 1 81 81 SER CA C 81 59.337 59.337 61.115 -1.778 19604 5917 1 9 . 1 1 81 81 SER CB C 81 63.672 63.672 63.008 0.664 19604 5918 1 9 . 1 1 81 81 SER H H 81 8.391 8.391 8.114 0.277 19604 5919 1 9 . 1 1 82 82 GLU N N 82 122.561 122.561 120.710 1.851 19604 5920 1 9 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.080 -0.007 19604 5921 1 9 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.705 -0.526 19604 5922 1 9 . 1 1 82 82 GLU CB C 82 29.512 29.512 28.853 0.659 19604 5923 1 9 . 1 1 82 82 GLU H H 82 8.479 8.479 8.883 -0.404 19604 5924 1 9 . 1 1 83 83 GLU N N 83 119.348 119.348 119.028 0.320 19604 5925 1 9 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.119 -0.075 19604 5926 1 9 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.501 0.146 19604 5927 1 9 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.322 0.209 19604 5928 1 9 . 1 1 83 83 GLU H H 83 8.279 8.279 8.644 -0.365 19604 5929 1 9 . 1 1 84 84 GLU N N 84 118.810 118.810 119.673 -0.863 19604 5930 1 9 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.276 -0.163 19604 5931 1 9 . 1 1 84 84 GLU CA C 84 59.477 59.477 58.340 1.137 19604 5932 1 9 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.241 0.428 19604 5933 1 9 . 1 1 84 84 GLU H H 84 8.062 8.062 7.611 0.451 19604 5934 1 9 . 1 1 85 85 ILE N N 85 122.019 122.019 121.578 0.441 19604 5935 1 9 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.096 -0.178 19604 5936 1 9 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.665 -0.338 19604 5937 1 9 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.962 -0.534 19604 5938 1 9 . 1 1 85 85 ILE H H 85 8.008 8.008 7.805 0.203 19604 5939 1 9 . 1 1 86 86 ARG N N 86 121.851 121.851 119.472 2.379 19604 5940 1 9 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.018 0.148 19604 5941 1 9 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.862 0.164 19604 5942 1 9 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.077 -0.110 19604 5943 1 9 . 1 1 86 86 ARG H H 86 8.446 8.446 8.209 0.237 19604 5944 1 9 . 1 1 87 87 GLU N N 87 118.621 118.621 119.299 -0.678 19604 5945 1 9 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.094 0.016 19604 5946 1 9 . 1 1 87 87 GLU CA C 87 59.107 59.107 58.952 0.155 19604 5947 1 9 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.719 -0.293 19604 5948 1 9 . 1 1 87 87 GLU H H 87 8.149 8.149 7.624 0.525 19604 5949 1 9 . 1 1 88 88 ALA N N 88 121.741 121.741 123.121 -1.380 19604 5950 1 9 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.621 0.404 19604 5951 1 9 . 1 1 88 88 ALA CA C 88 54.986 54.986 55.013 -0.027 19604 5952 1 9 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.510 -0.786 19604 5953 1 9 . 1 1 88 88 ALA H H 88 7.880 7.880 8.244 -0.364 19604 5954 1 9 . 1 1 89 89 PHE N N 89 118.057 118.057 118.470 -0.413 19604 5955 1 9 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.801 -0.652 19604 5956 1 9 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.739 0.627 19604 5957 1 9 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.999 0.338 19604 5958 1 9 . 1 1 89 89 PHE H H 89 8.463 8.463 8.211 0.252 19604 5959 1 9 . 1 1 90 90 ARG N N 90 115.723 115.723 118.368 -2.645 19604 5960 1 9 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.062 -0.170 19604 5961 1 9 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.968 -0.080 19604 5962 1 9 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.073 0.333 19604 5963 1 9 . 1 1 90 90 ARG H H 90 7.775 7.775 7.392 0.383 19604 5964 1 9 . 1 1 91 91 VAL N N 91 118.161 118.161 117.161 1.000 19604 5965 1 9 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.755 -0.231 19604 5966 1 9 . 1 1 91 91 VAL CA C 91 65.596 65.596 64.474 1.123 19604 5967 1 9 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.500 0.044 19604 5968 1 9 . 1 1 91 91 VAL H H 91 7.484 7.484 7.530 -0.046 19604 5969 1 9 . 1 1 92 92 PHE N N 92 117.398 117.398 115.436 1.962 19604 5970 1 9 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.423 -0.145 19604 5971 1 9 . 1 1 92 92 PHE CA C 92 58.681 58.681 56.753 1.928 19604 5972 1 9 . 1 1 92 92 PHE CB C 92 39.854 39.854 39.066 0.788 19604 5973 1 9 . 1 1 92 92 PHE H H 92 7.544 7.544 7.090 0.454 19604 5974 1 9 . 1 1 93 93 ASP N N 93 117.503 117.503 120.976 -3.473 19604 5975 1 9 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.658 -0.117 19604 5976 1 9 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.392 -2.210 19604 5977 1 9 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.354 -1.927 19604 5978 1 9 . 1 1 93 93 ASP H H 93 7.963 7.963 7.931 0.031 19604 5979 1 9 . 1 1 94 94 LYS N N 94 125.976 125.976 126.847 -0.871 19604 5980 1 9 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.151 -0.245 19604 5981 1 9 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.885 1.177 19604 5982 1 9 . 1 1 94 94 LYS CB C 94 33.033 33.033 33.035 -0.002 19604 5983 1 9 . 1 1 94 94 LYS H H 94 7.585 7.585 8.108 -0.523 19604 5984 1 9 . 1 1 95 95 ASP N N 95 114.100 114.100 115.155 -1.055 19604 5985 1 9 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.521 0.033 19604 5986 1 9 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.725 -0.659 19604 5987 1 9 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.358 -0.609 19604 5988 1 9 . 1 1 95 95 ASP H H 95 8.186 8.186 7.878 0.308 19604 5989 1 9 . 1 1 96 96 GLY N N 96 109.383 109.383 108.459 0.924 19604 5990 1 9 . 1 1 96 96 GLY CA C 96 47.148 47.148 45.985 1.163 19604 5991 1 9 . 1 1 96 96 GLY H H 96 7.809 7.809 7.937 -0.128 19604 5992 1 9 . 1 1 97 97 ASN N N 97 119.744 119.744 118.608 1.136 19604 5993 1 9 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.597 0.049 19604 5994 1 9 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.835 -0.180 19604 5995 1 9 . 1 1 97 97 ASN CB C 97 38.189 38.189 39.124 -0.935 19604 5996 1 9 . 1 1 97 97 ASN H H 97 8.336 8.336 8.697 -0.361 19604 5997 1 9 . 1 1 98 98 GLY N N 98 112.937 112.937 107.459 5.478 19604 5998 1 9 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.526 -0.494 19604 5999 1 9 . 1 1 98 98 GLY H H 98 10.653 10.653 8.802 1.851 19604 6000 1 9 . 1 1 99 99 TYR N N 99 115.956 115.956 118.068 -2.112 19604 6001 1 9 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.080 -0.019 19604 6002 1 9 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.745 -1.556 19604 6003 1 9 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.480 0.564 19604 6004 1 9 . 1 1 99 99 TYR H H 99 7.630 7.630 8.631 -1.001 19604 6005 1 9 . 1 1 100 100 ILE N N 100 127.360 127.360 123.084 4.276 19604 6006 1 9 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.411 0.373 19604 6007 1 9 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.368 0.651 19604 6008 1 9 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.957 -0.972 19604 6009 1 9 . 1 1 100 100 ILE H H 100 10.174 10.174 8.885 1.289 19604 6010 1 9 . 1 1 101 101 SER N N 101 124.117 124.117 122.377 1.740 19604 6011 1 9 . 1 1 101 101 SER HA H 101 4.885 4.885 4.887 -0.002 19604 6012 1 9 . 1 1 101 101 SER CA C 101 55.722 55.722 55.720 0.002 19604 6013 1 9 . 1 1 101 101 SER CB C 101 66.631 66.631 66.383 0.248 19604 6014 1 9 . 1 1 101 101 SER H H 101 8.977 8.977 8.610 0.367 19604 6015 1 9 . 1 1 102 102 ALA N N 102 123.057 123.057 123.737 -0.680 19604 6016 1 9 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.120 -0.196 19604 6017 1 9 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.008 0.946 19604 6018 1 9 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.447 -0.556 19604 6019 1 9 . 1 1 102 102 ALA H H 102 9.261 9.261 8.960 0.301 19604 6020 1 9 . 1 1 103 103 ALA N N 103 118.685 118.685 121.771 -3.086 19604 6021 1 9 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.939 0.085 19604 6022 1 9 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.980 0.239 19604 6023 1 9 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.432 -0.117 19604 6024 1 9 . 1 1 103 103 ALA H H 103 8.271 8.271 7.756 0.515 19604 6025 1 9 . 1 1 104 104 GLU N N 104 119.737 119.737 118.658 1.079 19604 6026 1 9 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.068 -0.031 19604 6027 1 9 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.664 0.586 19604 6028 1 9 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.719 -0.503 19604 6029 1 9 . 1 1 104 104 GLU H H 104 7.857 7.857 7.498 0.359 19604 6030 1 9 . 1 1 105 105 LEU N N 105 122.037 122.037 120.693 1.344 19604 6031 1 9 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.877 0.159 19604 6032 1 9 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.499 0.553 19604 6033 1 9 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.743 0.371 19604 6034 1 9 . 1 1 105 105 LEU H H 105 8.685 8.685 8.461 0.224 19604 6035 1 9 . 1 1 106 106 ARG N N 106 118.484 118.484 118.572 -0.088 19604 6036 1 9 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.825 -0.117 19604 6037 1 9 . 1 1 106 106 ARG CA C 106 60.030 60.030 60.050 -0.021 19604 6038 1 9 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.810 0.507 19604 6039 1 9 . 1 1 106 106 ARG H H 106 8.682 8.682 7.975 0.707 19604 6040 1 9 . 1 1 107 107 HIS N N 107 118.917 118.917 118.542 0.375 19604 6041 1 9 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.348 -0.052 19604 6042 1 9 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.654 0.188 19604 6043 1 9 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.310 1.266 19604 6044 1 9 . 1 1 107 107 HIS H H 107 7.803 7.803 7.888 -0.085 19604 6045 1 9 . 1 1 108 108 VAL N N 108 119.662 119.662 119.189 0.473 19604 6046 1 9 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.678 -0.220 19604 6047 1 9 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.016 0.436 19604 6048 1 9 . 1 1 108 108 VAL CB C 108 31.593 31.593 30.989 0.604 19604 6049 1 9 . 1 1 108 108 VAL H H 108 7.887 7.887 7.243 0.644 19604 6050 1 9 . 1 1 109 109 MET N N 109 115.981 115.981 118.635 -2.654 19604 6051 1 9 . 1 1 109 109 MET HA H 109 4.296 4.296 4.113 0.183 19604 6052 1 9 . 1 1 109 109 MET CA C 109 57.062 57.062 58.237 -1.175 19604 6053 1 9 . 1 1 109 109 MET H H 109 8.128 8.128 7.803 0.325 19604 6054 1 9 . 1 1 110 110 THR N N 110 116.866 116.866 112.879 3.987 19604 6055 1 9 . 1 1 110 110 THR HA H 110 4.080 4.080 3.887 0.193 19604 6056 1 9 . 1 1 110 110 THR CA C 110 66.402 66.402 65.739 0.663 19604 6057 1 9 . 1 1 110 110 THR CB C 110 68.574 68.574 67.741 0.833 19604 6058 1 9 . 1 1 110 110 THR H H 110 8.302 8.302 8.144 0.158 19604 6059 1 9 . 1 1 111 111 ASN N N 111 122.811 122.811 119.045 3.766 19604 6060 1 9 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.516 -0.071 19604 6061 1 9 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.689 1.122 19604 6062 1 9 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.463 -0.488 19604 6063 1 9 . 1 1 111 111 ASN H H 111 7.849 7.849 7.439 0.410 19604 6064 1 9 . 1 1 112 112 LEU N N 112 118.869 118.869 118.924 -0.055 19604 6065 1 9 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.250 0.095 19604 6066 1 9 . 1 1 112 112 LEU CA C 112 55.091 55.091 56.137 -1.046 19604 6067 1 9 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.700 -0.620 19604 6068 1 9 . 1 1 112 112 LEU H H 112 7.666 7.666 7.637 0.029 19604 6069 1 9 . 1 1 113 113 GLY N N 113 107.124 107.124 106.044 1.080 19604 6070 1 9 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.480 0.936 19604 6071 1 9 . 1 1 113 113 GLY H H 113 7.818 7.818 7.571 0.247 19604 6072 1 9 . 1 1 114 114 GLU N N 114 120.113 120.113 120.854 -0.741 19604 6073 1 9 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.578 -0.151 19604 6074 1 9 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.889 -0.293 19604 6075 1 9 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.969 -1.259 19604 6076 1 9 . 1 1 114 114 GLU H H 114 7.895 7.895 7.788 0.107 19604 6077 1 9 . 1 1 115 115 LYS N N 115 124.920 124.920 123.307 1.613 19604 6078 1 9 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.324 0.056 19604 6079 1 9 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.776 -1.383 19604 6080 1 9 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.197 -0.152 19604 6081 1 9 . 1 1 115 115 LYS H H 115 8.583 8.583 8.552 0.031 19604 6082 1 9 . 1 1 116 116 LEU N N 116 124.979 124.979 125.691 -0.712 19604 6083 1 9 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.710 0.057 19604 6084 1 9 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.290 0.791 19604 6085 1 9 . 1 1 116 116 LEU CB C 116 44.532 44.532 44.548 -0.016 19604 6086 1 9 . 1 1 116 116 LEU H H 116 8.082 8.082 8.244 -0.162 19604 6087 1 9 . 1 1 117 117 THR N N 117 114.448 114.448 110.801 3.647 19604 6088 1 9 . 1 1 117 117 THR HA H 117 4.452 4.452 4.615 -0.163 19604 6089 1 9 . 1 1 117 117 THR CA C 117 60.690 60.690 60.306 0.384 19604 6090 1 9 . 1 1 117 117 THR CB C 117 71.051 71.051 71.490 -0.439 19604 6091 1 9 . 1 1 117 117 THR H H 117 9.172 9.172 7.969 1.203 19604 6092 1 9 . 1 1 118 118 ASP N N 118 121.175 121.175 121.435 -0.260 19604 6093 1 9 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.244 -0.031 19604 6094 1 9 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.550 -0.558 19604 6095 1 9 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.752 -1.082 19604 6096 1 9 . 1 1 118 118 ASP H H 118 8.889 8.889 8.806 0.083 19604 6097 1 9 . 1 1 119 119 GLU N N 119 119.386 119.386 119.544 -0.158 19604 6098 1 9 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.040 0.048 19604 6099 1 9 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.967 1.046 19604 6100 1 9 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.562 -0.390 19604 6101 1 9 . 1 1 119 119 GLU H H 119 8.665 8.665 8.323 0.342 19604 6102 1 9 . 1 1 120 120 GLU N N 120 120.564 120.564 120.049 0.515 19604 6103 1 9 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.045 -0.063 19604 6104 1 9 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.186 0.066 19604 6105 1 9 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.311 1.449 19604 6106 1 9 . 1 1 120 120 GLU H H 120 7.715 7.715 7.465 0.250 19604 6107 1 9 . 1 1 121 121 VAL N N 121 120.955 120.955 117.899 3.056 19604 6108 1 9 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.707 -0.251 19604 6109 1 9 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.693 0.188 19604 6110 1 9 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.512 -0.182 19604 6111 1 9 . 1 1 121 121 VAL H H 121 8.050 8.050 8.063 -0.013 19604 6112 1 9 . 1 1 122 122 ASP N N 122 120.016 120.016 118.596 1.420 19604 6113 1 9 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.425 -0.062 19604 6114 1 9 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.352 0.362 19604 6115 1 9 . 1 1 122 122 ASP CB C 122 40.453 40.453 41.052 -0.599 19604 6116 1 9 . 1 1 122 122 ASP H H 122 7.980 7.980 7.618 0.362 19604 6117 1 9 . 1 1 123 123 GLU N N 123 119.913 119.913 120.693 -0.780 19604 6118 1 9 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.018 0.027 19604 6119 1 9 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.268 0.037 19604 6120 1 9 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.297 -0.018 19604 6121 1 9 . 1 1 123 123 GLU H H 123 8.033 8.033 7.527 0.506 19604 6122 1 9 . 1 1 124 124 MET N N 124 119.642 119.642 116.102 3.540 19604 6123 1 9 . 1 1 124 124 MET HA H 124 4.175 4.175 4.085 0.090 19604 6124 1 9 . 1 1 124 124 MET CA C 124 60.420 60.420 59.155 1.265 19604 6125 1 9 . 1 1 124 124 MET CB C 124 33.408 33.408 32.358 1.050 19604 6126 1 9 . 1 1 124 124 MET H H 124 7.930 7.930 7.384 0.546 19604 6127 1 9 . 1 1 125 125 ILE N N 125 119.663 119.663 120.411 -0.748 19604 6128 1 9 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.694 0.015 19604 6129 1 9 . 1 1 125 125 ILE CA C 125 64.339 64.339 63.888 0.451 19604 6130 1 9 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.526 -0.192 19604 6131 1 9 . 1 1 125 125 ILE H H 125 8.147 8.147 7.572 0.575 19604 6132 1 9 . 1 1 126 126 ARG N N 126 118.998 118.998 119.211 -0.213 19604 6133 1 9 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.955 0.117 19604 6134 1 9 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.406 0.422 19604 6135 1 9 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.149 0.182 19604 6136 1 9 . 1 1 126 126 ARG H H 126 8.431 8.431 7.845 0.586 19604 6137 1 9 . 1 1 127 127 GLU N N 127 116.058 116.058 119.031 -2.973 19604 6138 1 9 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.168 -0.184 19604 6139 1 9 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.423 0.382 19604 6140 1 9 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.796 0.010 19604 6141 1 9 . 1 1 127 127 GLU H H 127 7.899 7.899 7.745 0.154 19604 6142 1 9 . 1 1 128 128 ALA N N 128 117.702 117.702 119.809 -2.107 19604 6143 1 9 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.161 0.292 19604 6144 1 9 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.335 -1.615 19604 6145 1 9 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.453 2.933 19604 6146 1 9 . 1 1 128 128 ALA H H 128 7.222 7.222 7.476 -0.254 19604 6147 1 9 . 1 1 129 129 ASP N N 129 117.996 117.996 119.458 -1.462 19604 6148 1 9 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.705 -0.208 19604 6149 1 9 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.012 0.324 19604 6150 1 9 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.540 1.142 19604 6151 1 9 . 1 1 129 129 ASP H H 129 7.947 7.947 8.022 -0.075 19604 6152 1 9 . 1 1 130 130 ILE N N 130 128.199 128.199 124.465 3.734 19604 6153 1 9 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.850 0.058 19604 6154 1 9 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.675 -0.242 19604 6155 1 9 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.493 0.245 19604 6156 1 9 . 1 1 130 130 ILE H H 130 8.399 8.399 8.419 -0.021 19604 6157 1 9 . 1 1 131 131 ASP N N 131 116.628 116.628 117.603 -0.975 19604 6158 1 9 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.498 0.015 19604 6159 1 9 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.828 0.000 19604 6160 1 9 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.324 -0.335 19604 6161 1 9 . 1 1 131 131 ASP H H 131 8.258 8.258 8.047 0.211 19604 6162 1 9 . 1 1 132 132 GLY N N 132 108.616 108.616 108.524 0.092 19604 6163 1 9 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.082 1.445 19604 6164 1 9 . 1 1 132 132 GLY H H 132 7.559 7.559 7.696 -0.137 19604 6165 1 9 . 1 1 133 133 ASP N N 133 120.901 120.901 119.897 1.004 19604 6166 1 9 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.556 -0.078 19604 6167 1 9 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.640 0.013 19604 6168 1 9 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.338 -1.067 19604 6169 1 9 . 1 1 133 133 ASP H H 133 8.340 8.340 8.685 -0.345 19604 6170 1 9 . 1 1 134 134 GLY N N 134 112.918 112.918 109.024 3.894 19604 6171 1 9 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.963 0.905 19604 6172 1 9 . 1 1 134 134 GLY H H 134 10.366 10.366 8.832 1.534 19604 6173 1 9 . 1 1 135 135 GLN N N 135 115.297 115.297 117.575 -2.278 19604 6174 1 9 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.649 0.268 19604 6175 1 9 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.946 -1.719 19604 6176 1 9 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.413 -1.071 19604 6177 1 9 . 1 1 135 135 GLN H H 135 8.012 8.012 8.606 -0.594 19604 6178 1 9 . 1 1 136 136 VAL N N 136 125.463 125.463 121.561 3.902 19604 6179 1 9 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.089 0.129 19604 6180 1 9 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.077 1.587 19604 6181 1 9 . 1 1 136 136 VAL CB C 136 33.758 33.758 31.737 2.021 19604 6182 1 9 . 1 1 136 136 VAL H H 136 9.133 9.133 8.682 0.451 19604 6183 1 9 . 1 1 137 137 ASN N N 137 129.402 129.402 126.680 2.722 19604 6184 1 9 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.628 0.671 19604 6185 1 9 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.927 0.099 19604 6186 1 9 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.229 -0.944 19604 6187 1 9 . 1 1 137 137 ASN H H 137 9.634 9.634 9.001 0.633 19604 6188 1 9 . 1 1 138 138 TYR N N 138 118.585 118.585 121.660 -3.075 19604 6189 1 9 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.955 -0.613 19604 6190 1 9 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.524 -1.007 19604 6191 1 9 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.455 -0.759 19604 6192 1 9 . 1 1 138 138 TYR H H 138 8.400 8.400 8.746 -0.346 19604 6193 1 9 . 1 1 139 139 GLU N N 139 118.692 118.692 119.141 -0.449 19604 6194 1 9 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.863 -0.245 19604 6195 1 9 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.837 0.477 19604 6196 1 9 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.176 -0.176 19604 6197 1 9 . 1 1 139 139 GLU H H 139 8.095 8.095 8.662 -0.567 19604 6198 1 9 . 1 1 140 140 GLU N N 140 119.980 119.980 119.291 0.689 19604 6199 1 9 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.126 -0.221 19604 6200 1 9 . 1 1 140 140 GLU CA C 140 58.532 58.532 59.003 -0.471 19604 6201 1 9 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.911 -0.204 19604 6202 1 9 . 1 1 140 140 GLU H H 140 8.759 8.759 8.460 0.299 19604 6203 1 9 . 1 1 141 141 PHE N N 141 123.408 123.408 121.815 1.593 19604 6204 1 9 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.060 -0.329 19604 6205 1 9 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.866 0.117 19604 6206 1 9 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.324 0.849 19604 6207 1 9 . 1 1 141 141 PHE H H 141 8.639 8.639 8.341 0.298 19604 6208 1 9 . 1 1 142 142 VAL N N 142 119.839 119.839 118.936 0.903 19604 6209 1 9 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.415 -0.371 19604 6210 1 9 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.830 0.288 19604 6211 1 9 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.247 0.268 19604 6212 1 9 . 1 1 142 142 VAL H H 142 8.781 8.781 8.700 0.081 19604 6213 1 9 . 1 1 143 143 GLN N N 143 118.240 118.240 118.035 0.205 19604 6214 1 9 . 1 1 143 143 GLN HA H 143 3.802 3.802 4.026 -0.224 19604 6215 1 9 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.570 0.247 19604 6216 1 9 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.926 -0.751 19604 6217 1 9 . 1 1 143 143 GLN H H 143 7.491 7.491 7.501 -0.010 19604 6218 1 9 . 1 1 144 144 MET N N 144 116.028 116.028 117.400 -1.372 19604 6219 1 9 . 1 1 144 144 MET HA H 144 4.145 4.145 4.158 -0.013 19604 6220 1 9 . 1 1 144 144 MET CA C 144 55.939 55.939 57.639 -1.700 19604 6221 1 9 . 1 1 144 144 MET CB C 144 31.345 31.345 32.269 -0.924 19604 6222 1 9 . 1 1 144 144 MET H H 144 7.176 7.176 7.141 0.035 19604 6223 1 9 . 1 1 145 145 MET N N 145 116.272 116.272 117.715 -1.443 19604 6224 1 9 . 1 1 145 145 MET HA H 145 4.301 4.301 4.169 0.132 19604 6225 1 9 . 1 1 145 145 MET CA C 145 55.416 55.416 57.655 -2.239 19604 6226 1 9 . 1 1 145 145 MET CB C 145 32.831 32.831 33.145 -0.314 19604 6227 1 9 . 1 1 145 145 MET H H 145 7.831 7.831 8.246 -0.415 19604 6228 1 9 . 1 1 146 146 THR N N 146 110.389 110.389 112.914 -2.525 19604 6229 1 9 . 1 1 146 146 THR HA H 146 4.308 4.308 4.432 -0.124 19604 6230 1 9 . 1 1 146 146 THR CA C 146 61.942 61.942 61.903 0.039 19604 6231 1 9 . 1 1 146 146 THR CB C 146 70.244 70.244 69.030 1.214 19604 6232 1 9 . 1 1 146 146 THR H H 146 7.474 7.474 7.451 0.023 19604 6233 1 9 . 1 1 147 147 ALA N N 147 126.864 126.864 125.217 1.647 19604 6234 1 9 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.207 0.001 19604 6235 1 9 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.491 0.507 19604 6236 1 9 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.762 -0.646 19604 6237 1 9 . 1 1 147 147 ALA H H 147 7.622 7.622 7.180 0.442 19604 6238 1 10 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.503 0.137 19604 6239 1 10 . 1 1 2 2 ASP CA C 2 54.613 54.613 55.214 -0.601 19604 6240 1 10 . 1 1 2 2 ASP CB C 2 41.351 41.351 40.356 0.995 19604 6241 1 10 . 1 1 3 3 GLN N N 3 120.300 120.300 118.276 2.024 19604 6242 1 10 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.207 0.166 19604 6243 1 10 . 1 1 3 3 GLN CA C 3 55.498 55.498 56.459 -0.961 19604 6244 1 10 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.508 0.270 19604 6245 1 10 . 1 1 3 3 GLN H H 3 8.388 8.388 8.031 0.357 19604 6246 1 10 . 1 1 4 4 LEU N N 4 123.525 123.525 121.259 2.266 19604 6247 1 10 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.789 -0.102 19604 6248 1 10 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.233 0.126 19604 6249 1 10 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.699 -0.046 19604 6250 1 10 . 1 1 4 4 LEU H H 4 8.299 8.299 8.540 -0.241 19604 6251 1 10 . 1 1 5 5 THR N N 5 113.299 113.299 112.661 0.638 19604 6252 1 10 . 1 1 5 5 THR HA H 5 4.476 4.476 4.560 -0.084 19604 6253 1 10 . 1 1 5 5 THR CA C 5 60.463 60.463 60.189 0.274 19604 6254 1 10 . 1 1 5 5 THR CB C 5 71.250 71.250 71.275 -0.025 19604 6255 1 10 . 1 1 5 5 THR H H 5 8.651 8.651 7.989 0.662 19604 6256 1 10 . 1 1 6 6 GLU N N 6 120.620 120.620 121.265 -0.645 19604 6257 1 10 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.988 -0.013 19604 6258 1 10 . 1 1 6 6 GLU CA C 6 59.935 59.935 59.978 -0.043 19604 6259 1 10 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.679 -0.480 19604 6260 1 10 . 1 1 6 6 GLU H H 6 9.014 9.014 8.870 0.144 19604 6261 1 10 . 1 1 7 7 GLU N N 7 119.586 119.586 118.123 1.463 19604 6262 1 10 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.004 0.064 19604 6263 1 10 . 1 1 7 7 GLU CA C 7 59.943 59.943 58.979 0.964 19604 6264 1 10 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.353 -0.275 19604 6265 1 10 . 1 1 7 7 GLU H H 7 8.713 8.713 8.284 0.429 19604 6266 1 10 . 1 1 8 8 GLN N N 8 120.413 120.413 119.104 1.309 19604 6267 1 10 . 1 1 8 8 GLN HA H 8 3.825 3.825 3.935 -0.110 19604 6268 1 10 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.342 0.433 19604 6269 1 10 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.671 0.789 19604 6270 1 10 . 1 1 8 8 GLN H H 8 7.719 7.719 7.561 0.158 19604 6271 1 10 . 1 1 9 9 ILE N N 9 119.362 119.362 120.511 -1.149 19604 6272 1 10 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.826 -0.158 19604 6273 1 10 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.989 1.246 19604 6274 1 10 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.913 -0.092 19604 6275 1 10 . 1 1 9 9 ILE H H 9 8.267 8.267 8.172 0.095 19604 6276 1 10 . 1 1 10 10 ALA N N 10 121.321 121.321 121.673 -0.352 19604 6277 1 10 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.050 0.068 19604 6278 1 10 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.684 -0.287 19604 6279 1 10 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.904 -0.108 19604 6280 1 10 . 1 1 10 10 ALA H H 10 8.023 8.023 8.207 -0.184 19604 6281 1 10 . 1 1 11 11 GLU N N 11 119.865 119.865 119.060 0.805 19604 6282 1 10 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.093 0.048 19604 6283 1 10 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.157 0.254 19604 6284 1 10 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.246 -0.038 19604 6285 1 10 . 1 1 11 11 GLU H H 11 7.761 7.761 7.460 0.301 19604 6286 1 10 . 1 1 12 12 PHE N N 12 119.971 119.971 118.474 1.497 19604 6287 1 10 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.557 0.466 19604 6288 1 10 . 1 1 12 12 PHE CA C 12 58.712 58.712 59.562 -0.850 19604 6289 1 10 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.371 -0.854 19604 6290 1 10 . 1 1 12 12 PHE H H 12 8.479 8.479 7.232 1.247 19604 6291 1 10 . 1 1 13 13 LYS N N 13 123.604 123.604 120.568 3.036 19604 6292 1 10 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.145 -0.171 19604 6293 1 10 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.173 -0.217 19604 6294 1 10 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.432 -0.654 19604 6295 1 10 . 1 1 13 13 LYS H H 13 9.222 9.222 8.731 0.491 19604 6296 1 10 . 1 1 14 14 GLU N N 14 120.976 120.976 118.850 2.126 19604 6297 1 10 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.105 0.008 19604 6298 1 10 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.473 0.089 19604 6299 1 10 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.341 0.074 19604 6300 1 10 . 1 1 14 14 GLU H H 14 7.924 7.924 7.855 0.069 19604 6301 1 10 . 1 1 15 15 ALA N N 15 122.303 122.303 120.242 2.061 19604 6302 1 10 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.166 0.158 19604 6303 1 10 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.503 0.635 19604 6304 1 10 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.291 -0.289 19604 6305 1 10 . 1 1 15 15 ALA H H 15 7.990 7.990 7.573 0.417 19604 6306 1 10 . 1 1 16 16 PHE N N 16 119.011 119.011 119.183 -0.172 19604 6307 1 10 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.838 -0.568 19604 6308 1 10 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.982 1.006 19604 6309 1 10 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.339 0.567 19604 6310 1 10 . 1 1 16 16 PHE H H 16 8.666 8.666 7.962 0.704 19604 6311 1 10 . 1 1 17 17 SER N N 17 113.988 113.988 114.948 -0.960 19604 6312 1 10 . 1 1 17 17 SER HA H 17 4.086 4.086 4.054 0.032 19604 6313 1 10 . 1 1 17 17 SER CA C 17 61.532 61.532 61.737 -0.205 19604 6314 1 10 . 1 1 17 17 SER CB C 17 62.921 62.921 63.042 -0.121 19604 6315 1 10 . 1 1 17 17 SER H H 17 8.202 8.202 7.788 0.414 19604 6316 1 10 . 1 1 18 18 LEU N N 18 120.913 120.913 119.851 1.062 19604 6317 1 10 . 1 1 18 18 LEU HA H 18 3.950 3.950 3.984 -0.034 19604 6318 1 10 . 1 1 18 18 LEU CA C 18 57.487 57.487 56.941 0.546 19604 6319 1 10 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.758 -0.235 19604 6320 1 10 . 1 1 18 18 LEU H H 18 7.280 7.280 7.304 -0.024 19604 6321 1 10 . 1 1 19 19 PHE N N 19 113.613 113.613 115.167 -1.554 19604 6322 1 10 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.202 -0.170 19604 6323 1 10 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.635 -0.229 19604 6324 1 10 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.391 2.166 19604 6325 1 10 . 1 1 19 19 PHE H H 19 7.070 7.070 7.296 -0.226 19604 6326 1 10 . 1 1 20 20 ASP N N 20 117.393 117.393 118.969 -1.576 19604 6327 1 10 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.359 0.234 19604 6328 1 10 . 1 1 20 20 ASP CA C 20 52.468 52.468 54.327 -1.859 19604 6329 1 10 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.401 -1.105 19604 6330 1 10 . 1 1 20 20 ASP H H 20 7.790 7.790 7.674 0.116 19604 6331 1 10 . 1 1 21 21 LYS N N 21 124.292 124.292 125.148 -0.856 19604 6332 1 10 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.035 -0.057 19604 6333 1 10 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.141 0.179 19604 6334 1 10 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.852 -0.179 19604 6335 1 10 . 1 1 21 21 LYS H H 21 7.707 7.707 8.130 -0.423 19604 6336 1 10 . 1 1 22 22 ASP N N 22 114.139 114.139 115.215 -1.076 19604 6337 1 10 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.517 0.063 19604 6338 1 10 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.656 -0.865 19604 6339 1 10 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.572 -1.006 19604 6340 1 10 . 1 1 22 22 ASP H H 22 8.025 8.025 7.970 0.055 19604 6341 1 10 . 1 1 23 23 GLY N N 23 109.378 109.378 108.871 0.507 19604 6342 1 10 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.277 0.939 19604 6343 1 10 . 1 1 23 23 GLY H H 23 7.661 7.661 7.701 -0.040 19604 6344 1 10 . 1 1 24 24 ASP N N 24 121.022 121.022 119.953 1.069 19604 6345 1 10 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.553 -0.038 19604 6346 1 10 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.566 0.112 19604 6347 1 10 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.660 -1.157 19604 6348 1 10 . 1 1 24 24 ASP H H 24 8.466 8.466 8.350 0.116 19604 6349 1 10 . 1 1 25 25 GLY N N 25 112.810 112.810 109.880 2.930 19604 6350 1 10 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.298 0.048 19604 6351 1 10 . 1 1 25 25 GLY H H 25 10.507 10.507 9.158 1.349 19604 6352 1 10 . 1 1 26 26 THR N N 26 112.094 112.094 112.174 -0.080 19604 6353 1 10 . 1 1 26 26 THR HA H 26 5.431 5.431 5.272 0.159 19604 6354 1 10 . 1 1 26 26 THR CA C 26 59.576 59.576 61.017 -1.440 19604 6355 1 10 . 1 1 26 26 THR CB C 26 72.730 72.730 71.537 1.192 19604 6356 1 10 . 1 1 26 26 THR H H 26 8.191 8.191 8.290 -0.099 19604 6357 1 10 . 1 1 27 27 ILE N N 27 126.447 126.447 126.873 -0.426 19604 6358 1 10 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.472 0.295 19604 6359 1 10 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.815 0.315 19604 6360 1 10 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.321 1.667 19604 6361 1 10 . 1 1 27 27 ILE H H 27 9.845 9.845 8.982 0.863 19604 6362 1 10 . 1 1 28 28 THR N N 28 116.315 116.315 118.371 -2.056 19604 6363 1 10 . 1 1 28 28 THR HA H 28 4.894 4.894 4.964 -0.070 19604 6364 1 10 . 1 1 28 28 THR CA C 28 59.217 59.217 59.497 -0.280 19604 6365 1 10 . 1 1 28 28 THR CB C 28 72.480 72.480 71.960 0.520 19604 6366 1 10 . 1 1 28 28 THR H H 28 8.322 8.322 8.976 -0.654 19604 6367 1 10 . 1 1 29 29 THR N N 29 112.270 112.270 113.820 -1.550 19604 6368 1 10 . 1 1 29 29 THR HA H 29 3.790 3.790 4.060 -0.270 19604 6369 1 10 . 1 1 29 29 THR CA C 29 66.207 66.207 65.691 0.516 19604 6370 1 10 . 1 1 29 29 THR CB C 29 67.737 67.737 68.100 -0.363 19604 6371 1 10 . 1 1 29 29 THR H H 29 9.251 9.251 8.874 0.377 19604 6372 1 10 . 1 1 30 30 LYS N N 30 121.127 121.127 122.288 -1.161 19604 6373 1 10 . 1 1 30 30 LYS HA H 30 4.118 4.118 3.999 0.119 19604 6374 1 10 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.687 -0.430 19604 6375 1 10 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.103 0.430 19604 6376 1 10 . 1 1 30 30 LYS H H 30 7.569 7.569 7.623 -0.054 19604 6377 1 10 . 1 1 31 31 GLU N N 31 121.876 121.876 119.593 2.283 19604 6378 1 10 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.108 -0.092 19604 6379 1 10 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.048 0.409 19604 6380 1 10 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.741 -0.190 19604 6381 1 10 . 1 1 31 31 GLU H H 31 7.715 7.715 7.560 0.155 19604 6382 1 10 . 1 1 32 32 LEU N N 32 120.674 120.674 121.036 -0.362 19604 6383 1 10 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.058 0.136 19604 6384 1 10 . 1 1 32 32 LEU CA C 32 58.187 58.187 58.048 0.139 19604 6385 1 10 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.456 0.700 19604 6386 1 10 . 1 1 32 32 LEU H H 32 8.592 8.592 8.632 -0.040 19604 6387 1 10 . 1 1 33 33 GLY N N 33 106.859 106.859 104.297 2.562 19604 6388 1 10 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.235 0.992 19604 6389 1 10 . 1 1 33 33 GLY H H 33 8.861 8.861 8.347 0.514 19604 6390 1 10 . 1 1 34 34 THR N N 34 118.512 118.512 119.277 -0.765 19604 6391 1 10 . 1 1 34 34 THR HA H 34 3.935 3.935 4.098 -0.163 19604 6392 1 10 . 1 1 34 34 THR CA C 34 66.964 66.964 66.241 0.723 19604 6393 1 10 . 1 1 34 34 THR CB C 34 68.610 68.610 68.848 -0.238 19604 6394 1 10 . 1 1 34 34 THR H H 34 7.965 7.965 7.243 0.722 19604 6395 1 10 . 1 1 35 35 VAL N N 35 122.456 122.456 121.432 1.024 19604 6396 1 10 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.636 -0.065 19604 6397 1 10 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.491 0.068 19604 6398 1 10 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.248 0.283 19604 6399 1 10 . 1 1 35 35 VAL H H 35 7.532 7.532 8.517 -0.985 19604 6400 1 10 . 1 1 36 36 MET N N 36 118.015 118.015 117.087 0.928 19604 6401 1 10 . 1 1 36 36 MET HA H 36 3.899 3.899 4.145 -0.246 19604 6402 1 10 . 1 1 36 36 MET CA C 36 60.156 60.156 58.905 1.251 19604 6403 1 10 . 1 1 36 36 MET CB C 36 31.731 31.731 32.207 -0.476 19604 6404 1 10 . 1 1 36 36 MET H H 36 8.525 8.525 7.752 0.773 19604 6405 1 10 . 1 1 37 37 ARG N N 37 119.604 119.604 119.061 0.543 19604 6406 1 10 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.002 0.779 19604 6407 1 10 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.717 -0.461 19604 6408 1 10 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.023 -0.410 19604 6409 1 10 . 1 1 37 37 ARG H H 37 8.579 8.579 7.878 0.701 19604 6410 1 10 . 1 1 38 38 SER N N 38 119.543 119.543 114.250 5.293 19604 6411 1 10 . 1 1 38 38 SER HA H 38 4.396 4.396 4.326 0.070 19604 6412 1 10 . 1 1 38 38 SER CA C 38 61.758 61.758 60.744 1.014 19604 6413 1 10 . 1 1 38 38 SER CB C 38 62.691 62.691 63.035 -0.344 19604 6414 1 10 . 1 1 38 38 SER H H 38 7.939 7.939 7.643 0.296 19604 6415 1 10 . 1 1 39 39 LEU N N 39 120.454 120.454 120.305 0.149 19604 6416 1 10 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.417 0.024 19604 6417 1 10 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.589 -0.973 19604 6418 1 10 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.784 -0.654 19604 6419 1 10 . 1 1 39 39 LEU H H 39 7.394 7.394 7.492 -0.098 19604 6420 1 10 . 1 1 40 40 GLY N N 40 107.378 107.378 106.343 1.035 19604 6421 1 10 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.623 0.992 19604 6422 1 10 . 1 1 40 40 GLY H H 40 7.897 7.897 8.019 -0.122 19604 6423 1 10 . 1 1 41 41 GLN N N 41 118.330 118.330 119.347 -1.017 19604 6424 1 10 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.642 -0.141 19604 6425 1 10 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.580 -0.262 19604 6426 1 10 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.514 -1.020 19604 6427 1 10 . 1 1 41 41 GLN H H 41 7.883 7.883 8.175 -0.292 19604 6428 1 10 . 1 1 42 42 ASN N N 42 116.488 116.488 122.436 -5.948 19604 6429 1 10 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.073 0.139 19604 6430 1 10 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.952 1.176 19604 6431 1 10 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.444 -0.273 19604 6432 1 10 . 1 1 42 42 ASN H H 42 8.697 8.697 8.719 -0.022 19604 6433 1 10 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.788 -0.004 19604 6434 1 10 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.791 -0.469 19604 6435 1 10 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.207 -0.929 19604 6436 1 10 . 1 1 44 44 THR N N 44 112.452 112.452 111.582 0.870 19604 6437 1 10 . 1 1 44 44 THR HA H 44 4.461 4.461 4.551 -0.090 19604 6438 1 10 . 1 1 44 44 THR CA C 44 60.411 60.411 59.601 0.810 19604 6439 1 10 . 1 1 44 44 THR CB C 44 71.068 71.068 72.354 -1.286 19604 6440 1 10 . 1 1 44 44 THR H H 44 8.678 8.678 8.194 0.484 19604 6441 1 10 . 1 1 45 45 GLU N N 45 120.954 120.954 124.905 -3.951 19604 6442 1 10 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.898 0.112 19604 6443 1 10 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.128 -0.245 19604 6444 1 10 . 1 1 45 45 GLU H H 45 8.803 8.803 9.123 -0.320 19604 6445 1 10 . 1 1 46 46 ALA N N 46 120.643 120.643 120.366 0.277 19604 6446 1 10 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.211 -0.094 19604 6447 1 10 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.370 0.643 19604 6448 1 10 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.161 0.012 19604 6449 1 10 . 1 1 46 46 ALA H H 46 8.272 8.272 8.199 0.073 19604 6450 1 10 . 1 1 47 47 GLU N N 47 119.059 119.059 120.178 -1.119 19604 6451 1 10 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.106 -0.071 19604 6452 1 10 . 1 1 47 47 GLU CA C 47 59.163 59.163 58.921 0.242 19604 6453 1 10 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.796 0.130 19604 6454 1 10 . 1 1 47 47 GLU H H 47 7.686 7.686 7.623 0.063 19604 6455 1 10 . 1 1 48 48 LEU N N 48 119.848 119.848 119.464 0.384 19604 6456 1 10 . 1 1 48 48 LEU HA H 48 4.025 4.025 4.018 0.007 19604 6457 1 10 . 1 1 48 48 LEU CA C 48 57.841 57.841 57.942 -0.101 19604 6458 1 10 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.705 0.725 19604 6459 1 10 . 1 1 48 48 LEU H H 48 8.036 8.036 8.649 -0.613 19604 6460 1 10 . 1 1 49 49 GLN N N 49 118.226 118.226 117.765 0.461 19604 6461 1 10 . 1 1 49 49 GLN HA H 49 3.803 3.803 4.000 -0.197 19604 6462 1 10 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.541 0.020 19604 6463 1 10 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.892 0.350 19604 6464 1 10 . 1 1 49 49 GLN H H 49 8.323 8.323 7.872 0.451 19604 6465 1 10 . 1 1 50 50 ASP N N 50 119.928 119.928 120.641 -0.713 19604 6466 1 10 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.473 -0.075 19604 6467 1 10 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.725 0.884 19604 6468 1 10 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.830 -0.197 19604 6469 1 10 . 1 1 50 50 ASP H H 50 8.147 8.147 7.795 0.352 19604 6470 1 10 . 1 1 51 51 MET N N 51 117.796 117.796 119.184 -1.388 19604 6471 1 10 . 1 1 51 51 MET HA H 51 4.050 4.050 4.044 0.006 19604 6472 1 10 . 1 1 51 51 MET CA C 51 59.555 59.555 59.671 -0.116 19604 6473 1 10 . 1 1 51 51 MET CB C 51 32.846 32.846 32.733 0.113 19604 6474 1 10 . 1 1 51 51 MET H H 51 7.814 7.814 7.760 0.054 19604 6475 1 10 . 1 1 52 52 ILE N N 52 118.474 118.474 118.815 -0.341 19604 6476 1 10 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.537 0.062 19604 6477 1 10 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.066 -0.960 19604 6478 1 10 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.404 -0.345 19604 6479 1 10 . 1 1 52 52 ILE H H 52 7.685 7.685 8.197 -0.512 19604 6480 1 10 . 1 1 53 53 ASN N N 53 118.591 118.591 116.863 1.728 19604 6481 1 10 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.535 -0.118 19604 6482 1 10 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.619 0.286 19604 6483 1 10 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.690 0.301 19604 6484 1 10 . 1 1 53 53 ASN H H 53 8.786 8.786 8.047 0.739 19604 6485 1 10 . 1 1 54 54 GLU N N 54 115.327 115.327 117.465 -2.138 19604 6486 1 10 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.193 -0.145 19604 6487 1 10 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.264 0.813 19604 6488 1 10 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.129 0.796 19604 6489 1 10 . 1 1 54 54 GLU H H 54 7.368 7.368 7.773 -0.405 19604 6490 1 10 . 1 1 55 55 VAL N N 55 111.285 111.285 110.821 0.464 19604 6491 1 10 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.208 0.019 19604 6492 1 10 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.762 0.070 19604 6493 1 10 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.452 0.864 19604 6494 1 10 . 1 1 55 55 VAL H H 55 7.133 7.133 7.277 -0.144 19604 6495 1 10 . 1 1 56 56 ASP N N 56 121.291 121.291 121.608 -0.317 19604 6496 1 10 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.932 -0.464 19604 6497 1 10 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.047 0.652 19604 6498 1 10 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.506 0.077 19604 6499 1 10 . 1 1 56 56 ASP H H 56 7.567 7.567 7.518 0.049 19604 6500 1 10 . 1 1 57 57 ALA N N 57 131.432 131.432 130.487 0.945 19604 6501 1 10 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.177 0.052 19604 6502 1 10 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.831 0.524 19604 6503 1 10 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.921 -0.226 19604 6504 1 10 . 1 1 57 57 ALA H H 57 8.064 8.064 8.832 -0.768 19604 6505 1 10 . 1 1 58 58 ASP N N 58 114.063 114.063 116.084 -2.021 19604 6506 1 10 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.602 0.035 19604 6507 1 10 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.344 -0.576 19604 6508 1 10 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.495 -0.647 19604 6509 1 10 . 1 1 58 58 ASP H H 58 8.211 8.211 8.177 0.034 19604 6510 1 10 . 1 1 59 59 GLY N N 59 108.646 108.646 109.085 -0.439 19604 6511 1 10 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.939 1.261 19604 6512 1 10 . 1 1 59 59 GLY H H 59 7.584 7.584 7.922 -0.338 19604 6513 1 10 . 1 1 60 60 ASN N N 60 118.886 118.886 118.620 0.266 19604 6514 1 10 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.764 -0.144 19604 6515 1 10 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.317 0.360 19604 6516 1 10 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.633 -2.054 19604 6517 1 10 . 1 1 60 60 ASN H H 60 8.162 8.162 8.686 -0.524 19604 6518 1 10 . 1 1 61 61 GLY N N 61 113.458 113.458 109.704 3.754 19604 6519 1 10 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.465 0.174 19604 6520 1 10 . 1 1 61 61 GLY H H 61 10.568 10.568 9.110 1.458 19604 6521 1 10 . 1 1 62 62 THR N N 62 108.490 108.490 110.274 -1.784 19604 6522 1 10 . 1 1 62 62 THR HA H 62 4.800 4.800 5.178 -0.378 19604 6523 1 10 . 1 1 62 62 THR CA C 62 59.327 59.327 59.964 -0.637 19604 6524 1 10 . 1 1 62 62 THR CB C 62 72.409 72.409 72.648 -0.239 19604 6525 1 10 . 1 1 62 62 THR H H 62 7.643 7.643 8.292 -0.649 19604 6526 1 10 . 1 1 63 63 ILE N N 63 123.350 123.350 123.439 -0.089 19604 6527 1 10 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.805 0.409 19604 6528 1 10 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.554 -1.503 19604 6529 1 10 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.421 1.184 19604 6530 1 10 . 1 1 63 63 ILE H H 63 8.544 8.544 8.439 0.105 19604 6531 1 10 . 1 1 64 64 ASP N N 64 128.480 128.480 128.707 -0.227 19604 6532 1 10 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.146 0.361 19604 6533 1 10 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.421 -1.436 19604 6534 1 10 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.531 0.672 19604 6535 1 10 . 1 1 64 64 ASP H H 64 8.902 8.902 8.119 0.783 19604 6536 1 10 . 1 1 65 65 PHE N N 65 118.622 118.622 120.374 -1.752 19604 6537 1 10 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.602 0.377 19604 6538 1 10 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.592 1.493 19604 6539 1 10 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.552 -0.650 19604 6540 1 10 . 1 1 65 65 PHE H H 65 8.967 8.967 8.827 0.140 19604 6541 1 10 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.697 0.191 19604 6542 1 10 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.785 2.065 19604 6543 1 10 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.703 0.097 19604 6544 1 10 . 1 1 67 67 GLU N N 67 118.243 118.243 119.314 -1.071 19604 6545 1 10 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.975 -0.010 19604 6546 1 10 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.692 -0.647 19604 6547 1 10 . 1 1 67 67 GLU CB C 67 29.874 29.874 29.029 0.845 19604 6548 1 10 . 1 1 67 67 GLU H H 67 8.420 8.420 7.963 0.457 19604 6549 1 10 . 1 1 68 68 PHE N N 68 124.020 124.020 120.168 3.852 19604 6550 1 10 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.269 -0.484 19604 6551 1 10 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.947 0.540 19604 6552 1 10 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.608 1.174 19604 6553 1 10 . 1 1 68 68 PHE H H 68 8.638 8.638 7.606 1.032 19604 6554 1 10 . 1 1 69 69 LEU N N 69 120.062 120.062 120.725 -0.663 19604 6555 1 10 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.966 -0.598 19604 6556 1 10 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.987 -0.133 19604 6557 1 10 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.508 -0.123 19604 6558 1 10 . 1 1 69 69 LEU H H 69 8.972 8.972 7.488 1.484 19604 6559 1 10 . 1 1 70 70 THR N N 70 115.488 115.488 114.083 1.405 19604 6560 1 10 . 1 1 70 70 THR HA H 70 3.697 3.697 3.871 -0.174 19604 6561 1 10 . 1 1 70 70 THR CA C 70 66.558 66.558 66.053 0.505 19604 6562 1 10 . 1 1 70 70 THR CB C 70 68.396 68.396 68.792 -0.396 19604 6563 1 10 . 1 1 70 70 THR H H 70 7.855 7.855 8.244 -0.389 19604 6564 1 10 . 1 1 71 71 MET N N 71 119.627 119.627 121.378 -1.751 19604 6565 1 10 . 1 1 71 71 MET HA H 71 3.757 3.757 3.942 -0.185 19604 6566 1 10 . 1 1 71 71 MET CA C 71 58.334 58.334 58.693 -0.359 19604 6567 1 10 . 1 1 71 71 MET CB C 71 30.736 30.736 31.914 -1.178 19604 6568 1 10 . 1 1 71 71 MET H H 71 7.155 7.155 7.427 -0.272 19604 6569 1 10 . 1 1 72 72 MET N N 72 116.046 116.046 116.959 -0.913 19604 6570 1 10 . 1 1 72 72 MET HA H 72 3.977 3.977 3.779 0.198 19604 6571 1 10 . 1 1 72 72 MET CA C 72 55.138 55.138 58.915 -3.777 19604 6572 1 10 . 1 1 72 72 MET CB C 72 29.103 29.103 31.711 -2.608 19604 6573 1 10 . 1 1 72 72 MET H H 72 7.646 7.646 7.204 0.442 19604 6574 1 10 . 1 1 73 73 ALA N N 73 120.685 120.685 119.612 1.073 19604 6575 1 10 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.063 0.119 19604 6576 1 10 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.409 -1.309 19604 6577 1 10 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.212 1.080 19604 6578 1 10 . 1 1 73 73 ALA H H 73 8.080 8.080 7.491 0.589 19604 6579 1 10 . 1 1 74 74 ARG N N 74 118.501 118.501 119.684 -1.183 19604 6580 1 10 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.000 0.188 19604 6581 1 10 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.593 -1.616 19604 6582 1 10 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.914 0.603 19604 6583 1 10 . 1 1 74 74 ARG H H 74 7.367 7.367 8.051 -0.684 19604 6584 1 10 . 1 1 76 76 MET HA H 76 4.413 4.413 4.148 0.265 19604 6585 1 10 . 1 1 76 76 MET CA C 76 55.804 55.804 57.644 -1.840 19604 6586 1 10 . 1 1 76 76 MET CB C 76 33.291 33.291 33.061 0.230 19604 6587 1 10 . 1 1 77 77 LYS N N 77 121.563 121.563 115.333 6.230 19604 6588 1 10 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.560 -0.239 19604 6589 1 10 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.274 1.144 19604 6590 1 10 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.713 -1.462 19604 6591 1 10 . 1 1 77 77 LYS H H 77 8.253 8.253 7.985 0.268 19604 6592 1 10 . 1 1 78 78 ASP N N 78 121.953 121.953 118.617 3.336 19604 6593 1 10 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.321 0.297 19604 6594 1 10 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.407 -0.552 19604 6595 1 10 . 1 1 78 78 ASP CB C 78 41.116 41.116 39.831 1.285 19604 6596 1 10 . 1 1 78 78 ASP H H 78 8.362 8.362 8.513 -0.151 19604 6597 1 10 . 1 1 79 79 THR N N 79 113.276 113.276 111.685 1.591 19604 6598 1 10 . 1 1 79 79 THR HA H 79 4.305 4.305 4.498 -0.193 19604 6599 1 10 . 1 1 79 79 THR CA C 79 62.124 62.124 61.436 0.688 19604 6600 1 10 . 1 1 79 79 THR CB C 79 69.634 69.634 70.390 -0.756 19604 6601 1 10 . 1 1 79 79 THR H H 79 8.014 8.014 7.856 0.158 19604 6602 1 10 . 1 1 80 80 ASP N N 80 122.850 122.850 122.517 0.333 19604 6603 1 10 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.624 0.051 19604 6604 1 10 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.444 -0.789 19604 6605 1 10 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.056 0.368 19604 6606 1 10 . 1 1 80 80 ASP H H 80 8.316 8.316 8.520 -0.204 19604 6607 1 10 . 1 1 81 81 SER N N 81 116.864 116.864 116.837 0.027 19604 6608 1 10 . 1 1 81 81 SER HA H 81 4.429 4.429 4.208 0.221 19604 6609 1 10 . 1 1 81 81 SER CA C 81 59.337 59.337 61.339 -2.002 19604 6610 1 10 . 1 1 81 81 SER CB C 81 63.672 63.672 62.904 0.769 19604 6611 1 10 . 1 1 81 81 SER H H 81 8.391 8.391 8.522 -0.131 19604 6612 1 10 . 1 1 82 82 GLU N N 82 122.561 122.561 122.193 0.368 19604 6613 1 10 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.116 -0.043 19604 6614 1 10 . 1 1 82 82 GLU CA C 82 59.179 59.179 58.794 0.385 19604 6615 1 10 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.119 0.393 19604 6616 1 10 . 1 1 82 82 GLU H H 82 8.479 8.479 8.277 0.202 19604 6617 1 10 . 1 1 83 83 GLU N N 83 119.348 119.348 119.603 -0.255 19604 6618 1 10 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.006 0.038 19604 6619 1 10 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.141 0.506 19604 6620 1 10 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.384 0.147 19604 6621 1 10 . 1 1 83 83 GLU H H 83 8.279 8.279 7.809 0.470 19604 6622 1 10 . 1 1 84 84 GLU N N 84 118.810 118.810 119.303 -0.493 19604 6623 1 10 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.207 -0.094 19604 6624 1 10 . 1 1 84 84 GLU CA C 84 59.477 59.477 58.837 0.640 19604 6625 1 10 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.245 0.423 19604 6626 1 10 . 1 1 84 84 GLU H H 84 8.062 8.062 8.191 -0.129 19604 6627 1 10 . 1 1 85 85 ILE N N 85 122.019 122.019 120.548 1.471 19604 6628 1 10 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.965 -0.047 19604 6629 1 10 . 1 1 85 85 ILE CA C 85 65.327 65.327 64.882 0.445 19604 6630 1 10 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.979 -0.551 19604 6631 1 10 . 1 1 85 85 ILE H H 85 8.008 8.008 7.619 0.389 19604 6632 1 10 . 1 1 86 86 ARG N N 86 121.851 121.851 120.319 1.532 19604 6633 1 10 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.125 0.041 19604 6634 1 10 . 1 1 86 86 ARG CA C 86 60.026 60.026 60.310 -0.284 19604 6635 1 10 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.136 -0.169 19604 6636 1 10 . 1 1 86 86 ARG H H 86 8.446 8.446 8.638 -0.192 19604 6637 1 10 . 1 1 87 87 GLU N N 87 118.621 118.621 119.100 -0.479 19604 6638 1 10 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.019 0.091 19604 6639 1 10 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.660 -0.553 19604 6640 1 10 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.476 -0.050 19604 6641 1 10 . 1 1 87 87 GLU H H 87 8.149 8.149 8.428 -0.279 19604 6642 1 10 . 1 1 88 88 ALA N N 88 121.741 121.741 121.750 -0.009 19604 6643 1 10 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.813 0.212 19604 6644 1 10 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.648 0.338 19604 6645 1 10 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.458 -0.734 19604 6646 1 10 . 1 1 88 88 ALA H H 88 7.880 7.880 7.424 0.456 19604 6647 1 10 . 1 1 89 89 PHE N N 89 118.057 118.057 119.861 -1.804 19604 6648 1 10 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.871 -0.722 19604 6649 1 10 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.534 0.832 19604 6650 1 10 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.107 0.230 19604 6651 1 10 . 1 1 89 89 PHE H H 89 8.463 8.463 8.806 -0.343 19604 6652 1 10 . 1 1 90 90 ARG N N 90 115.723 115.723 118.572 -2.849 19604 6653 1 10 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.032 -0.140 19604 6654 1 10 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.821 0.067 19604 6655 1 10 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.978 0.428 19604 6656 1 10 . 1 1 90 90 ARG H H 90 7.775 7.775 8.157 -0.382 19604 6657 1 10 . 1 1 91 91 VAL N N 91 118.161 118.161 117.817 0.344 19604 6658 1 10 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.624 -0.100 19604 6659 1 10 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.369 0.227 19604 6660 1 10 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.145 0.399 19604 6661 1 10 . 1 1 91 91 VAL H H 91 7.484 7.484 7.283 0.201 19604 6662 1 10 . 1 1 92 92 PHE N N 92 117.398 117.398 117.189 0.209 19604 6663 1 10 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.336 -0.058 19604 6664 1 10 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.687 0.994 19604 6665 1 10 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.761 1.093 19604 6666 1 10 . 1 1 92 92 PHE H H 92 7.544 7.544 7.769 -0.225 19604 6667 1 10 . 1 1 93 93 ASP N N 93 117.503 117.503 120.028 -2.525 19604 6668 1 10 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.405 0.136 19604 6669 1 10 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.837 -1.655 19604 6670 1 10 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.844 -1.417 19604 6671 1 10 . 1 1 93 93 ASP H H 93 7.963 7.963 7.902 0.061 19604 6672 1 10 . 1 1 94 94 LYS N N 94 125.976 125.976 124.380 1.596 19604 6673 1 10 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.106 -0.200 19604 6674 1 10 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.745 1.317 19604 6675 1 10 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.884 0.149 19604 6676 1 10 . 1 1 94 94 LYS H H 94 7.585 7.585 7.963 -0.378 19604 6677 1 10 . 1 1 95 95 ASP N N 95 114.100 114.100 114.628 -0.528 19604 6678 1 10 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.518 0.036 19604 6679 1 10 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.739 -0.673 19604 6680 1 10 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.050 -0.300 19604 6681 1 10 . 1 1 95 95 ASP H H 95 8.186 8.186 8.205 -0.019 19604 6682 1 10 . 1 1 96 96 GLY N N 96 109.383 109.383 108.149 1.234 19604 6683 1 10 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.094 1.054 19604 6684 1 10 . 1 1 96 96 GLY H H 96 7.809 7.809 7.759 0.050 19604 6685 1 10 . 1 1 97 97 ASN N N 97 119.744 119.744 119.382 0.362 19604 6686 1 10 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.669 -0.023 19604 6687 1 10 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.882 -0.227 19604 6688 1 10 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.946 -0.756 19604 6689 1 10 . 1 1 97 97 ASN H H 97 8.336 8.336 8.600 -0.264 19604 6690 1 10 . 1 1 98 98 GLY N N 98 112.937 112.937 107.821 5.116 19604 6691 1 10 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.767 -0.735 19604 6692 1 10 . 1 1 98 98 GLY H H 98 10.653 10.653 8.704 1.949 19604 6693 1 10 . 1 1 99 99 TYR N N 99 115.956 115.956 117.787 -1.831 19604 6694 1 10 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.914 0.147 19604 6695 1 10 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.802 -1.613 19604 6696 1 10 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.337 0.707 19604 6697 1 10 . 1 1 99 99 TYR H H 99 7.630 7.630 8.453 -0.823 19604 6698 1 10 . 1 1 100 100 ILE N N 100 127.360 127.360 123.309 4.051 19604 6699 1 10 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.659 0.125 19604 6700 1 10 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.164 0.855 19604 6701 1 10 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.440 -1.455 19604 6702 1 10 . 1 1 100 100 ILE H H 100 10.174 10.174 9.099 1.075 19604 6703 1 10 . 1 1 101 101 SER N N 101 124.117 124.117 122.295 1.822 19604 6704 1 10 . 1 1 101 101 SER HA H 101 4.885 4.885 4.902 -0.017 19604 6705 1 10 . 1 1 101 101 SER CA C 101 55.722 55.722 56.106 -0.384 19604 6706 1 10 . 1 1 101 101 SER CB C 101 66.631 66.631 66.008 0.623 19604 6707 1 10 . 1 1 101 101 SER H H 101 8.977 8.977 8.488 0.489 19604 6708 1 10 . 1 1 102 102 ALA N N 102 123.057 123.057 123.093 -0.036 19604 6709 1 10 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.184 -0.260 19604 6710 1 10 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.140 0.814 19604 6711 1 10 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.528 -0.637 19604 6712 1 10 . 1 1 102 102 ALA H H 102 9.261 9.261 8.883 0.378 19604 6713 1 10 . 1 1 103 103 ALA N N 103 118.685 118.685 121.016 -2.331 19604 6714 1 10 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.950 0.074 19604 6715 1 10 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.851 0.368 19604 6716 1 10 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.253 0.062 19604 6717 1 10 . 1 1 103 103 ALA H H 103 8.271 8.271 8.381 -0.110 19604 6718 1 10 . 1 1 104 104 GLU N N 104 119.737 119.737 118.897 0.840 19604 6719 1 10 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.044 -0.007 19604 6720 1 10 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.146 0.104 19604 6721 1 10 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.703 -0.487 19604 6722 1 10 . 1 1 104 104 GLU H H 104 7.857 7.857 7.542 0.315 19604 6723 1 10 . 1 1 105 105 LEU N N 105 122.037 122.037 121.440 0.597 19604 6724 1 10 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.838 0.198 19604 6725 1 10 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.212 -0.160 19604 6726 1 10 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.755 0.358 19604 6727 1 10 . 1 1 105 105 LEU H H 105 8.685 8.685 7.590 1.095 19604 6728 1 10 . 1 1 106 106 ARG N N 106 118.484 118.484 118.388 0.096 19604 6729 1 10 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.806 -0.098 19604 6730 1 10 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.995 0.035 19604 6731 1 10 . 1 1 106 106 ARG CB C 106 30.317 30.317 30.035 0.282 19604 6732 1 10 . 1 1 106 106 ARG H H 106 8.682 8.682 8.007 0.675 19604 6733 1 10 . 1 1 107 107 HIS N N 107 118.917 118.917 118.160 0.757 19604 6734 1 10 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.364 -0.068 19604 6735 1 10 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.092 0.750 19604 6736 1 10 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.433 1.143 19604 6737 1 10 . 1 1 107 107 HIS H H 107 7.803 7.803 7.962 -0.159 19604 6738 1 10 . 1 1 108 108 VAL N N 108 119.662 119.662 119.162 0.500 19604 6739 1 10 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.495 -0.037 19604 6740 1 10 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.867 0.585 19604 6741 1 10 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.609 -0.016 19604 6742 1 10 . 1 1 108 108 VAL H H 108 7.887 7.887 7.474 0.413 19604 6743 1 10 . 1 1 109 109 MET N N 109 115.981 115.981 119.259 -3.278 19604 6744 1 10 . 1 1 109 109 MET HA H 109 4.296 4.296 4.091 0.205 19604 6745 1 10 . 1 1 109 109 MET CA C 109 57.062 57.062 57.651 -0.590 19604 6746 1 10 . 1 1 109 109 MET H H 109 8.128 8.128 8.530 -0.402 19604 6747 1 10 . 1 1 110 110 THR N N 110 116.866 116.866 111.144 5.722 19604 6748 1 10 . 1 1 110 110 THR HA H 110 4.080 4.080 3.838 0.242 19604 6749 1 10 . 1 1 110 110 THR CA C 110 66.402 66.402 65.340 1.062 19604 6750 1 10 . 1 1 110 110 THR CB C 110 68.574 68.574 68.334 0.240 19604 6751 1 10 . 1 1 110 110 THR H H 110 8.302 8.302 8.384 -0.082 19604 6752 1 10 . 1 1 111 111 ASN N N 111 122.811 122.811 118.754 4.057 19604 6753 1 10 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.522 -0.077 19604 6754 1 10 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.929 0.882 19604 6755 1 10 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.617 -0.642 19604 6756 1 10 . 1 1 111 111 ASN H H 111 7.849 7.849 7.527 0.322 19604 6757 1 10 . 1 1 112 112 LEU N N 112 118.869 118.869 119.603 -0.734 19604 6758 1 10 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.245 0.100 19604 6759 1 10 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.881 -0.790 19604 6760 1 10 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.758 -0.678 19604 6761 1 10 . 1 1 112 112 LEU H H 112 7.666 7.666 7.631 0.035 19604 6762 1 10 . 1 1 113 113 GLY N N 113 107.124 107.124 106.150 0.974 19604 6763 1 10 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.473 0.943 19604 6764 1 10 . 1 1 113 113 GLY H H 113 7.818 7.818 7.555 0.263 19604 6765 1 10 . 1 1 114 114 GLU N N 114 120.113 120.113 120.812 -0.699 19604 6766 1 10 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.520 -0.093 19604 6767 1 10 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.403 0.193 19604 6768 1 10 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.329 -0.619 19604 6769 1 10 . 1 1 114 114 GLU H H 114 7.895 7.895 7.731 0.164 19604 6770 1 10 . 1 1 115 115 LYS N N 115 124.920 124.920 125.839 -0.919 19604 6771 1 10 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.219 0.161 19604 6772 1 10 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.974 -1.581 19604 6773 1 10 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.646 -0.601 19604 6774 1 10 . 1 1 115 115 LYS H H 115 8.583 8.583 8.546 0.037 19604 6775 1 10 . 1 1 116 116 LEU N N 116 124.979 124.979 123.493 1.486 19604 6776 1 10 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.624 0.143 19604 6777 1 10 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.764 0.317 19604 6778 1 10 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.176 -0.644 19604 6779 1 10 . 1 1 116 116 LEU H H 116 8.082 8.082 8.247 -0.165 19604 6780 1 10 . 1 1 117 117 THR N N 117 114.448 114.448 111.031 3.417 19604 6781 1 10 . 1 1 117 117 THR HA H 117 4.452 4.452 4.652 -0.200 19604 6782 1 10 . 1 1 117 117 THR CA C 117 60.690 60.690 59.340 1.350 19604 6783 1 10 . 1 1 117 117 THR CB C 117 71.051 71.051 71.428 -0.377 19604 6784 1 10 . 1 1 117 117 THR H H 117 9.172 9.172 7.856 1.316 19604 6785 1 10 . 1 1 118 118 ASP N N 118 121.175 121.175 121.302 -0.127 19604 6786 1 10 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.292 -0.079 19604 6787 1 10 . 1 1 118 118 ASP CA C 118 57.992 57.992 57.792 0.200 19604 6788 1 10 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.530 -0.860 19604 6789 1 10 . 1 1 118 118 ASP H H 118 8.889 8.889 8.914 -0.025 19604 6790 1 10 . 1 1 119 119 GLU N N 119 119.386 119.386 119.132 0.254 19604 6791 1 10 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.151 -0.063 19604 6792 1 10 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.582 1.431 19604 6793 1 10 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.564 -0.392 19604 6794 1 10 . 1 1 119 119 GLU H H 119 8.665 8.665 8.011 0.654 19604 6795 1 10 . 1 1 120 120 GLU N N 120 120.564 120.564 120.316 0.248 19604 6796 1 10 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.065 -0.083 19604 6797 1 10 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.222 0.030 19604 6798 1 10 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.320 1.440 19604 6799 1 10 . 1 1 120 120 GLU H H 120 7.715 7.715 7.488 0.227 19604 6800 1 10 . 1 1 121 121 VAL N N 121 120.955 120.955 118.172 2.783 19604 6801 1 10 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.665 -0.209 19604 6802 1 10 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.434 0.447 19604 6803 1 10 . 1 1 121 121 VAL CB C 121 31.330 31.330 30.819 0.511 19604 6804 1 10 . 1 1 121 121 VAL H H 121 8.050 8.050 8.161 -0.111 19604 6805 1 10 . 1 1 122 122 ASP N N 122 120.016 120.016 119.955 0.061 19604 6806 1 10 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.339 0.024 19604 6807 1 10 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.760 -0.046 19604 6808 1 10 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.589 -0.136 19604 6809 1 10 . 1 1 122 122 ASP H H 122 7.980 7.980 7.641 0.339 19604 6810 1 10 . 1 1 123 123 GLU N N 123 119.913 119.913 119.485 0.428 19604 6811 1 10 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.073 -0.028 19604 6812 1 10 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.215 0.090 19604 6813 1 10 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.351 -0.072 19604 6814 1 10 . 1 1 123 123 GLU H H 123 8.033 8.033 7.757 0.276 19604 6815 1 10 . 1 1 124 124 MET N N 124 119.642 119.642 118.151 1.491 19604 6816 1 10 . 1 1 124 124 MET HA H 124 4.175 4.175 4.079 0.096 19604 6817 1 10 . 1 1 124 124 MET CA C 124 60.420 60.420 59.645 0.775 19604 6818 1 10 . 1 1 124 124 MET CB C 124 33.408 33.408 32.814 0.594 19604 6819 1 10 . 1 1 124 124 MET H H 124 7.930 7.930 7.317 0.613 19604 6820 1 10 . 1 1 125 125 ILE N N 125 119.663 119.663 119.627 0.036 19604 6821 1 10 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.725 -0.016 19604 6822 1 10 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.172 0.166 19604 6823 1 10 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.494 -0.159 19604 6824 1 10 . 1 1 125 125 ILE H H 125 8.147 8.147 7.922 0.225 19604 6825 1 10 . 1 1 126 126 ARG N N 126 118.998 118.998 118.717 0.281 19604 6826 1 10 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.998 0.074 19604 6827 1 10 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.116 0.712 19604 6828 1 10 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.044 0.286 19604 6829 1 10 . 1 1 126 126 ARG H H 126 8.431 8.431 8.363 0.068 19604 6830 1 10 . 1 1 127 127 GLU N N 127 116.058 116.058 118.656 -2.598 19604 6831 1 10 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.144 -0.160 19604 6832 1 10 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.725 0.080 19604 6833 1 10 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.669 0.137 19604 6834 1 10 . 1 1 127 127 GLU H H 127 7.899 7.899 7.709 0.190 19604 6835 1 10 . 1 1 128 128 ALA N N 128 117.702 117.702 119.246 -1.544 19604 6836 1 10 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.177 0.276 19604 6837 1 10 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.231 -1.511 19604 6838 1 10 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.451 2.935 19604 6839 1 10 . 1 1 128 128 ALA H H 128 7.222 7.222 7.476 -0.254 19604 6840 1 10 . 1 1 129 129 ASP N N 129 117.996 117.996 119.514 -1.518 19604 6841 1 10 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.906 -0.409 19604 6842 1 10 . 1 1 129 129 ASP CA C 129 54.336 54.336 53.938 0.398 19604 6843 1 10 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.648 1.034 19604 6844 1 10 . 1 1 129 129 ASP H H 129 7.947 7.947 8.077 -0.130 19604 6845 1 10 . 1 1 130 130 ILE N N 130 128.199 128.199 124.605 3.594 19604 6846 1 10 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.851 0.057 19604 6847 1 10 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.777 -0.344 19604 6848 1 10 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.573 0.165 19604 6849 1 10 . 1 1 130 130 ILE H H 130 8.399 8.399 8.252 0.147 19604 6850 1 10 . 1 1 131 131 ASP N N 131 116.628 116.628 117.727 -1.099 19604 6851 1 10 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.498 0.015 19604 6852 1 10 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.832 -0.004 19604 6853 1 10 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.374 -0.385 19604 6854 1 10 . 1 1 131 131 ASP H H 131 8.258 8.258 8.552 -0.294 19604 6855 1 10 . 1 1 132 132 GLY N N 132 108.616 108.616 108.548 0.068 19604 6856 1 10 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.013 1.514 19604 6857 1 10 . 1 1 132 132 GLY H H 132 7.559 7.559 7.690 -0.131 19604 6858 1 10 . 1 1 133 133 ASP N N 133 120.901 120.901 119.832 1.069 19604 6859 1 10 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.584 -0.106 19604 6860 1 10 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.582 0.071 19604 6861 1 10 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.457 -1.186 19604 6862 1 10 . 1 1 133 133 ASP H H 133 8.340 8.340 8.790 -0.451 19604 6863 1 10 . 1 1 134 134 GLY N N 134 112.918 112.918 108.975 3.943 19604 6864 1 10 . 1 1 134 134 GLY CA C 134 45.868 45.868 45.006 0.862 19604 6865 1 10 . 1 1 134 134 GLY H H 134 10.366 10.366 8.848 1.518 19604 6866 1 10 . 1 1 135 135 GLN N N 135 115.297 115.297 118.142 -2.845 19604 6867 1 10 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.628 0.289 19604 6868 1 10 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.883 -1.656 19604 6869 1 10 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.410 -1.068 19604 6870 1 10 . 1 1 135 135 GLN H H 135 8.012 8.012 8.542 -0.530 19604 6871 1 10 . 1 1 136 136 VAL N N 136 125.463 125.463 121.749 3.714 19604 6872 1 10 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.042 0.176 19604 6873 1 10 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.630 1.033 19604 6874 1 10 . 1 1 136 136 VAL CB C 136 33.758 33.758 33.023 0.735 19604 6875 1 10 . 1 1 136 136 VAL H H 136 9.133 9.133 8.680 0.453 19604 6876 1 10 . 1 1 137 137 ASN N N 137 129.402 129.402 126.453 2.949 19604 6877 1 10 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.728 0.571 19604 6878 1 10 . 1 1 137 137 ASN CA C 137 51.026 51.026 51.210 -0.184 19604 6879 1 10 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.531 -1.246 19604 6880 1 10 . 1 1 137 137 ASN H H 137 9.634 9.634 8.146 1.488 19604 6881 1 10 . 1 1 138 138 TYR N N 138 118.585 118.585 120.975 -2.390 19604 6882 1 10 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.640 -0.298 19604 6883 1 10 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.712 -0.196 19604 6884 1 10 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.716 -1.020 19604 6885 1 10 . 1 1 138 138 TYR H H 138 8.400 8.400 8.714 -0.314 19604 6886 1 10 . 1 1 139 139 GLU N N 139 118.692 118.692 119.746 -1.054 19604 6887 1 10 . 1 1 139 139 GLU HA H 139 3.618 3.618 4.038 -0.420 19604 6888 1 10 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.720 0.594 19604 6889 1 10 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.376 -0.376 19604 6890 1 10 . 1 1 139 139 GLU H H 139 8.095 8.095 8.725 -0.630 19604 6891 1 10 . 1 1 140 140 GLU N N 140 119.980 119.980 118.571 1.409 19604 6892 1 10 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.067 -0.162 19604 6893 1 10 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.661 -0.129 19604 6894 1 10 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.709 -0.002 19604 6895 1 10 . 1 1 140 140 GLU H H 140 8.759 8.759 8.649 0.110 19604 6896 1 10 . 1 1 141 141 PHE N N 141 123.408 123.408 121.580 1.828 19604 6897 1 10 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.105 -0.374 19604 6898 1 10 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.410 0.574 19604 6899 1 10 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.036 1.137 19604 6900 1 10 . 1 1 141 141 PHE H H 141 8.639 8.639 8.198 0.441 19604 6901 1 10 . 1 1 142 142 VAL N N 142 119.839 119.839 119.100 0.739 19604 6902 1 10 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.378 -0.334 19604 6903 1 10 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.808 0.310 19604 6904 1 10 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.531 -0.016 19604 6905 1 10 . 1 1 142 142 VAL H H 142 8.781 8.781 8.361 0.420 19604 6906 1 10 . 1 1 143 143 GLN N N 143 118.240 118.240 118.157 0.083 19604 6907 1 10 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.987 -0.185 19604 6908 1 10 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.626 0.191 19604 6909 1 10 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.489 -0.314 19604 6910 1 10 . 1 1 143 143 GLN H H 143 7.491 7.491 7.404 0.087 19604 6911 1 10 . 1 1 144 144 MET N N 144 116.028 116.028 119.284 -3.256 19604 6912 1 10 . 1 1 144 144 MET HA H 144 4.145 4.145 4.118 0.027 19604 6913 1 10 . 1 1 144 144 MET CA C 144 55.939 55.939 57.414 -1.475 19604 6914 1 10 . 1 1 144 144 MET CB C 144 31.345 31.345 32.374 -1.029 19604 6915 1 10 . 1 1 144 144 MET H H 144 7.176 7.176 7.466 -0.290 19604 6916 1 10 . 1 1 145 145 MET N N 145 116.272 116.272 118.616 -2.344 19604 6917 1 10 . 1 1 145 145 MET HA H 145 4.301 4.301 4.051 0.250 19604 6918 1 10 . 1 1 145 145 MET CA C 145 55.416 55.416 58.077 -2.661 19604 6919 1 10 . 1 1 145 145 MET CB C 145 32.831 32.831 32.849 -0.017 19604 6920 1 10 . 1 1 145 145 MET H H 145 7.831 7.831 7.957 -0.126 19604 6921 1 10 . 1 1 146 146 THR N N 146 110.389 110.389 112.946 -2.557 19604 6922 1 10 . 1 1 146 146 THR HA H 146 4.308 4.308 4.359 -0.051 19604 6923 1 10 . 1 1 146 146 THR CA C 146 61.942 61.942 61.472 0.470 19604 6924 1 10 . 1 1 146 146 THR CB C 146 70.244 70.244 69.010 1.234 19604 6925 1 10 . 1 1 146 146 THR H H 146 7.474 7.474 7.406 0.068 19604 6926 1 10 . 1 1 147 147 ALA N N 147 126.864 126.864 125.386 1.478 19604 6927 1 10 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.131 0.077 19604 6928 1 10 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.381 -0.383 19604 6929 1 10 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.313 -0.197 19604 6930 1 10 . 1 1 147 147 ALA H H 147 7.622 7.622 7.368 0.254 19604 6931 1 11 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.962 -0.322 19604 6932 1 11 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.001 0.612 19604 6933 1 11 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.949 -0.598 19604 6934 1 11 . 1 1 3 3 GLN N N 3 120.300 120.300 119.364 0.936 19604 6935 1 11 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.578 -0.205 19604 6936 1 11 . 1 1 3 3 GLN CA C 3 55.498 55.498 54.744 0.754 19604 6937 1 11 . 1 1 3 3 GLN CB C 3 29.778 29.778 30.392 -0.614 19604 6938 1 11 . 1 1 3 3 GLN H H 3 8.388 8.388 8.491 -0.103 19604 6939 1 11 . 1 1 4 4 LEU N N 4 123.525 123.525 123.779 -0.254 19604 6940 1 11 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.719 -0.032 19604 6941 1 11 . 1 1 4 4 LEU CA C 4 54.359 54.359 55.098 -0.739 19604 6942 1 11 . 1 1 4 4 LEU CB C 4 43.653 43.653 41.066 2.587 19604 6943 1 11 . 1 1 4 4 LEU H H 4 8.299 8.299 8.606 -0.307 19604 6944 1 11 . 1 1 5 5 THR N N 5 113.299 113.299 116.143 -2.844 19604 6945 1 11 . 1 1 5 5 THR HA H 5 4.476 4.476 4.794 -0.318 19604 6946 1 11 . 1 1 5 5 THR CA C 5 60.463 60.463 60.028 0.435 19604 6947 1 11 . 1 1 5 5 THR CB C 5 71.250 71.250 71.396 -0.146 19604 6948 1 11 . 1 1 5 5 THR H H 5 8.651 8.651 8.268 0.383 19604 6949 1 11 . 1 1 6 6 GLU N N 6 120.620 120.620 121.583 -0.963 19604 6950 1 11 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.992 -0.017 19604 6951 1 11 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.493 -0.558 19604 6952 1 11 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.609 -0.410 19604 6953 1 11 . 1 1 6 6 GLU H H 6 9.014 9.014 8.869 0.145 19604 6954 1 11 . 1 1 7 7 GLU N N 7 119.586 119.586 117.712 1.874 19604 6955 1 11 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.047 0.021 19604 6956 1 11 . 1 1 7 7 GLU CA C 7 59.943 59.943 58.893 1.050 19604 6957 1 11 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.304 -0.226 19604 6958 1 11 . 1 1 7 7 GLU H H 7 8.713 8.713 8.692 0.021 19604 6959 1 11 . 1 1 8 8 GLN N N 8 120.413 120.413 119.330 1.083 19604 6960 1 11 . 1 1 8 8 GLN HA H 8 3.825 3.825 3.970 -0.145 19604 6961 1 11 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.729 0.046 19604 6962 1 11 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.998 0.462 19604 6963 1 11 . 1 1 8 8 GLN H H 8 7.719 7.719 7.660 0.059 19604 6964 1 11 . 1 1 9 9 ILE N N 9 119.362 119.362 121.075 -1.713 19604 6965 1 11 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.875 -0.207 19604 6966 1 11 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.602 0.633 19604 6967 1 11 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.797 0.024 19604 6968 1 11 . 1 1 9 9 ILE H H 9 8.267 8.267 8.308 -0.041 19604 6969 1 11 . 1 1 10 10 ALA N N 10 121.321 121.321 120.768 0.553 19604 6970 1 11 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.024 0.094 19604 6971 1 11 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.509 -0.112 19604 6972 1 11 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.891 -0.095 19604 6973 1 11 . 1 1 10 10 ALA H H 10 8.023 8.023 8.484 -0.461 19604 6974 1 11 . 1 1 11 11 GLU N N 11 119.865 119.865 118.960 0.905 19604 6975 1 11 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.126 0.015 19604 6976 1 11 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.708 0.703 19604 6977 1 11 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.426 -0.218 19604 6978 1 11 . 1 1 11 11 GLU H H 11 7.761 7.761 7.503 0.258 19604 6979 1 11 . 1 1 12 12 PHE N N 12 119.971 119.971 120.048 -0.077 19604 6980 1 11 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.340 0.683 19604 6981 1 11 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.830 -2.118 19604 6982 1 11 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.594 -1.077 19604 6983 1 11 . 1 1 12 12 PHE H H 12 8.479 8.479 8.332 0.147 19604 6984 1 11 . 1 1 13 13 LYS N N 13 123.604 123.604 119.138 4.466 19604 6985 1 11 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.137 -0.163 19604 6986 1 11 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.001 -0.045 19604 6987 1 11 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.115 -0.337 19604 6988 1 11 . 1 1 13 13 LYS H H 13 9.222 9.222 8.912 0.310 19604 6989 1 11 . 1 1 14 14 GLU N N 14 120.976 120.976 118.225 2.751 19604 6990 1 11 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.165 -0.052 19604 6991 1 11 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.170 0.392 19604 6992 1 11 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.519 -0.104 19604 6993 1 11 . 1 1 14 14 GLU H H 14 7.924 7.924 7.831 0.093 19604 6994 1 11 . 1 1 15 15 ALA N N 15 122.303 122.303 122.664 -0.361 19604 6995 1 11 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.164 0.160 19604 6996 1 11 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.991 0.147 19604 6997 1 11 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.472 -0.470 19604 6998 1 11 . 1 1 15 15 ALA H H 15 7.990 7.990 7.763 0.227 19604 6999 1 11 . 1 1 16 16 PHE N N 16 119.011 119.011 119.365 -0.354 19604 7000 1 11 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.786 -0.516 19604 7001 1 11 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.036 0.952 19604 7002 1 11 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.271 0.635 19604 7003 1 11 . 1 1 16 16 PHE H H 16 8.666 8.666 8.238 0.428 19604 7004 1 11 . 1 1 17 17 SER N N 17 113.988 113.988 113.968 0.020 19604 7005 1 11 . 1 1 17 17 SER HA H 17 4.086 4.086 4.025 0.061 19604 7006 1 11 . 1 1 17 17 SER CA C 17 61.532 61.532 61.412 0.120 19604 7007 1 11 . 1 1 17 17 SER CB C 17 62.921 62.921 63.207 -0.286 19604 7008 1 11 . 1 1 17 17 SER H H 17 8.202 8.202 7.959 0.243 19604 7009 1 11 . 1 1 18 18 LEU N N 18 120.913 120.913 120.384 0.529 19604 7010 1 11 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.030 -0.080 19604 7011 1 11 . 1 1 18 18 LEU CA C 18 57.487 57.487 56.837 0.649 19604 7012 1 11 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.774 -0.251 19604 7013 1 11 . 1 1 18 18 LEU H H 18 7.280 7.280 7.330 -0.050 19604 7014 1 11 . 1 1 19 19 PHE N N 19 113.613 113.613 114.243 -0.630 19604 7015 1 11 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.226 -0.194 19604 7016 1 11 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.641 -0.235 19604 7017 1 11 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.462 2.095 19604 7018 1 11 . 1 1 19 19 PHE H H 19 7.070 7.070 7.290 -0.220 19604 7019 1 11 . 1 1 20 20 ASP N N 20 117.393 117.393 119.460 -2.067 19604 7020 1 11 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.462 0.131 19604 7021 1 11 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.652 -1.184 19604 7022 1 11 . 1 1 20 20 ASP CB C 20 39.296 39.296 39.891 -0.595 19604 7023 1 11 . 1 1 20 20 ASP H H 20 7.790 7.790 7.718 0.072 19604 7024 1 11 . 1 1 21 21 LYS N N 21 124.292 124.292 123.729 0.563 19604 7025 1 11 . 1 1 21 21 LYS HA H 21 3.978 3.978 3.994 -0.016 19604 7026 1 11 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.055 0.265 19604 7027 1 11 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.562 0.111 19604 7028 1 11 . 1 1 21 21 LYS H H 21 7.707 7.707 8.042 -0.335 19604 7029 1 11 . 1 1 22 22 ASP N N 22 114.139 114.139 114.462 -0.323 19604 7030 1 11 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.508 0.072 19604 7031 1 11 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.621 -0.830 19604 7032 1 11 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.142 -0.578 19604 7033 1 11 . 1 1 22 22 ASP H H 22 8.025 8.025 8.056 -0.031 19604 7034 1 11 . 1 1 23 23 GLY N N 23 109.378 109.378 108.976 0.402 19604 7035 1 11 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.272 0.944 19604 7036 1 11 . 1 1 23 23 GLY H H 23 7.661 7.661 7.649 0.012 19604 7037 1 11 . 1 1 24 24 ASP N N 24 121.022 121.022 119.687 1.335 19604 7038 1 11 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.532 -0.017 19604 7039 1 11 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.609 0.069 19604 7040 1 11 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.562 -1.059 19604 7041 1 11 . 1 1 24 24 ASP H H 24 8.466 8.466 8.337 0.129 19604 7042 1 11 . 1 1 25 25 GLY N N 25 112.810 112.810 109.225 3.585 19604 7043 1 11 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.257 0.089 19604 7044 1 11 . 1 1 25 25 GLY H H 25 10.507 10.507 8.998 1.509 19604 7045 1 11 . 1 1 26 26 THR N N 26 112.094 112.094 113.454 -1.360 19604 7046 1 11 . 1 1 26 26 THR HA H 26 5.431 5.431 5.281 0.150 19604 7047 1 11 . 1 1 26 26 THR CA C 26 59.576 59.576 60.060 -0.484 19604 7048 1 11 . 1 1 26 26 THR CB C 26 72.730 72.730 71.534 1.196 19604 7049 1 11 . 1 1 26 26 THR H H 26 8.191 8.191 8.277 -0.086 19604 7050 1 11 . 1 1 27 27 ILE N N 27 126.447 126.447 127.664 -1.217 19604 7051 1 11 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.856 -0.089 19604 7052 1 11 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.196 0.934 19604 7053 1 11 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.838 1.150 19604 7054 1 11 . 1 1 27 27 ILE H H 27 9.845 9.845 8.842 1.003 19604 7055 1 11 . 1 1 28 28 THR N N 28 116.315 116.315 117.554 -1.239 19604 7056 1 11 . 1 1 28 28 THR HA H 28 4.894 4.894 4.964 -0.070 19604 7057 1 11 . 1 1 28 28 THR CA C 28 59.217 59.217 59.540 -0.323 19604 7058 1 11 . 1 1 28 28 THR CB C 28 72.480 72.480 71.805 0.675 19604 7059 1 11 . 1 1 28 28 THR H H 28 8.322 8.322 8.968 -0.646 19604 7060 1 11 . 1 1 29 29 THR N N 29 112.270 112.270 111.645 0.625 19604 7061 1 11 . 1 1 29 29 THR HA H 29 3.790 3.790 3.997 -0.207 19604 7062 1 11 . 1 1 29 29 THR CA C 29 66.207 66.207 65.864 0.343 19604 7063 1 11 . 1 1 29 29 THR CB C 29 67.737 67.737 68.465 -0.728 19604 7064 1 11 . 1 1 29 29 THR H H 29 9.251 9.251 8.792 0.459 19604 7065 1 11 . 1 1 30 30 LYS N N 30 121.127 121.127 121.436 -0.309 19604 7066 1 11 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.100 0.018 19604 7067 1 11 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.973 0.284 19604 7068 1 11 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.272 0.261 19604 7069 1 11 . 1 1 30 30 LYS H H 30 7.569 7.569 7.686 -0.117 19604 7070 1 11 . 1 1 31 31 GLU N N 31 121.876 121.876 120.059 1.817 19604 7071 1 11 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.065 -0.049 19604 7072 1 11 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.316 0.141 19604 7073 1 11 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.803 -0.252 19604 7074 1 11 . 1 1 31 31 GLU H H 31 7.715 7.715 7.559 0.156 19604 7075 1 11 . 1 1 32 32 LEU N N 32 120.674 120.674 120.570 0.104 19604 7076 1 11 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.279 -0.085 19604 7077 1 11 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.247 0.940 19604 7078 1 11 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.132 0.024 19604 7079 1 11 . 1 1 32 32 LEU H H 32 8.592 8.592 8.579 0.013 19604 7080 1 11 . 1 1 33 33 GLY N N 33 106.859 106.859 105.208 1.651 19604 7081 1 11 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.497 0.730 19604 7082 1 11 . 1 1 33 33 GLY H H 33 8.861 8.861 8.197 0.664 19604 7083 1 11 . 1 1 34 34 THR N N 34 118.512 118.512 118.986 -0.474 19604 7084 1 11 . 1 1 34 34 THR HA H 34 3.935 3.935 4.016 -0.081 19604 7085 1 11 . 1 1 34 34 THR CA C 34 66.964 66.964 66.867 0.097 19604 7086 1 11 . 1 1 34 34 THR CB C 34 68.610 68.610 68.789 -0.179 19604 7087 1 11 . 1 1 34 34 THR H H 34 7.965 7.965 7.422 0.543 19604 7088 1 11 . 1 1 35 35 VAL N N 35 122.456 122.456 121.317 1.139 19604 7089 1 11 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.493 0.078 19604 7090 1 11 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.854 -0.295 19604 7091 1 11 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.130 0.401 19604 7092 1 11 . 1 1 35 35 VAL H H 35 7.532 7.532 7.341 0.191 19604 7093 1 11 . 1 1 36 36 MET N N 36 118.015 118.015 117.041 0.974 19604 7094 1 11 . 1 1 36 36 MET HA H 36 3.899 3.899 4.057 -0.158 19604 7095 1 11 . 1 1 36 36 MET CA C 36 60.156 60.156 59.268 0.888 19604 7096 1 11 . 1 1 36 36 MET CB C 36 31.731 31.731 32.067 -0.336 19604 7097 1 11 . 1 1 36 36 MET H H 36 8.525 8.525 7.789 0.736 19604 7098 1 11 . 1 1 37 37 ARG N N 37 119.604 119.604 119.401 0.203 19604 7099 1 11 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.063 0.718 19604 7100 1 11 . 1 1 37 37 ARG CA C 37 59.256 59.256 58.974 0.283 19604 7101 1 11 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.775 -0.162 19604 7102 1 11 . 1 1 37 37 ARG H H 37 8.579 8.579 7.829 0.750 19604 7103 1 11 . 1 1 38 38 SER N N 38 119.543 119.543 115.767 3.776 19604 7104 1 11 . 1 1 38 38 SER HA H 38 4.396 4.396 4.289 0.107 19604 7105 1 11 . 1 1 38 38 SER CA C 38 61.758 61.758 61.231 0.527 19604 7106 1 11 . 1 1 38 38 SER CB C 38 62.691 62.691 63.069 -0.378 19604 7107 1 11 . 1 1 38 38 SER H H 38 7.939 7.939 8.234 -0.295 19604 7108 1 11 . 1 1 39 39 LEU N N 39 120.454 120.454 119.873 0.581 19604 7109 1 11 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.544 -0.103 19604 7110 1 11 . 1 1 39 39 LEU CA C 39 54.616 54.616 54.727 -0.111 19604 7111 1 11 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.513 -0.383 19604 7112 1 11 . 1 1 39 39 LEU H H 39 7.394 7.394 7.465 -0.071 19604 7113 1 11 . 1 1 40 40 GLY N N 40 107.378 107.378 106.989 0.389 19604 7114 1 11 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.906 0.709 19604 7115 1 11 . 1 1 40 40 GLY H H 40 7.897 7.897 7.896 0.001 19604 7116 1 11 . 1 1 41 41 GLN N N 41 118.330 118.330 122.659 -4.329 19604 7117 1 11 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.308 0.193 19604 7118 1 11 . 1 1 41 41 GLN CA C 41 54.318 54.318 55.418 -1.100 19604 7119 1 11 . 1 1 41 41 GLN CB C 41 30.494 30.494 28.714 1.780 19604 7120 1 11 . 1 1 41 41 GLN H H 41 7.883 7.883 7.938 -0.055 19604 7121 1 11 . 1 1 42 42 ASN N N 42 116.488 116.488 125.243 -8.755 19604 7122 1 11 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.033 0.179 19604 7123 1 11 . 1 1 42 42 ASN CA C 42 51.128 51.128 50.202 0.926 19604 7124 1 11 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.199 -0.028 19604 7125 1 11 . 1 1 42 42 ASN H H 42 8.697 8.697 8.031 0.666 19604 7126 1 11 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.765 0.019 19604 7127 1 11 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.807 -0.485 19604 7128 1 11 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.550 -0.272 19604 7129 1 11 . 1 1 44 44 THR N N 44 112.452 112.452 111.709 0.743 19604 7130 1 11 . 1 1 44 44 THR HA H 44 4.461 4.461 4.394 0.067 19604 7131 1 11 . 1 1 44 44 THR CA C 44 60.411 60.411 60.222 0.189 19604 7132 1 11 . 1 1 44 44 THR CB C 44 71.068 71.068 70.876 0.192 19604 7133 1 11 . 1 1 44 44 THR H H 44 8.678 8.678 8.108 0.570 19604 7134 1 11 . 1 1 45 45 GLU N N 45 120.954 120.954 123.910 -2.956 19604 7135 1 11 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.869 0.141 19604 7136 1 11 . 1 1 45 45 GLU CA C 45 59.883 59.883 61.186 -1.303 19604 7137 1 11 . 1 1 45 45 GLU H H 45 8.803 8.803 9.017 -0.214 19604 7138 1 11 . 1 1 46 46 ALA N N 46 120.643 120.643 120.469 0.174 19604 7139 1 11 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.181 -0.064 19604 7140 1 11 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.645 0.368 19604 7141 1 11 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.157 0.016 19604 7142 1 11 . 1 1 46 46 ALA H H 46 8.272 8.272 8.251 0.021 19604 7143 1 11 . 1 1 47 47 GLU N N 47 119.059 119.059 120.069 -1.010 19604 7144 1 11 . 1 1 47 47 GLU HA H 47 4.035 4.035 3.977 0.058 19604 7145 1 11 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.056 0.107 19604 7146 1 11 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.694 0.232 19604 7147 1 11 . 1 1 47 47 GLU H H 47 7.686 7.686 7.551 0.135 19604 7148 1 11 . 1 1 48 48 LEU N N 48 119.848 119.848 120.304 -0.456 19604 7149 1 11 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.923 0.102 19604 7150 1 11 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.047 -0.206 19604 7151 1 11 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.908 0.522 19604 7152 1 11 . 1 1 48 48 LEU H H 48 8.036 8.036 8.395 -0.359 19604 7153 1 11 . 1 1 49 49 GLN N N 49 118.226 118.226 117.590 0.636 19604 7154 1 11 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.940 -0.137 19604 7155 1 11 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.642 -0.081 19604 7156 1 11 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.997 0.245 19604 7157 1 11 . 1 1 49 49 GLN H H 49 8.323 8.323 7.932 0.391 19604 7158 1 11 . 1 1 50 50 ASP N N 50 119.928 119.928 119.149 0.779 19604 7159 1 11 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.511 -0.113 19604 7160 1 11 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.342 1.267 19604 7161 1 11 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.807 -0.174 19604 7162 1 11 . 1 1 50 50 ASP H H 50 8.147 8.147 7.864 0.283 19604 7163 1 11 . 1 1 51 51 MET N N 51 117.796 117.796 118.726 -0.930 19604 7164 1 11 . 1 1 51 51 MET HA H 51 4.050 4.050 4.107 -0.057 19604 7165 1 11 . 1 1 51 51 MET CA C 51 59.555 59.555 59.099 0.456 19604 7166 1 11 . 1 1 51 51 MET CB C 51 32.846 32.846 32.961 -0.115 19604 7167 1 11 . 1 1 51 51 MET H H 51 7.814 7.814 7.629 0.185 19604 7168 1 11 . 1 1 52 52 ILE N N 52 118.474 118.474 119.426 -0.952 19604 7169 1 11 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.508 0.091 19604 7170 1 11 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.312 -1.206 19604 7171 1 11 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.458 -0.399 19604 7172 1 11 . 1 1 52 52 ILE H H 52 7.685 7.685 7.974 -0.289 19604 7173 1 11 . 1 1 53 53 ASN N N 53 118.591 118.591 116.426 2.165 19604 7174 1 11 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.531 -0.114 19604 7175 1 11 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.559 0.345 19604 7176 1 11 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.803 0.188 19604 7177 1 11 . 1 1 53 53 ASN H H 53 8.786 8.786 8.010 0.776 19604 7178 1 11 . 1 1 54 54 GLU N N 54 115.327 115.327 117.364 -2.037 19604 7179 1 11 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.193 -0.145 19604 7180 1 11 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.068 1.010 19604 7181 1 11 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.379 0.546 19604 7182 1 11 . 1 1 54 54 GLU H H 54 7.368 7.368 7.767 -0.399 19604 7183 1 11 . 1 1 55 55 VAL N N 55 111.285 111.285 110.939 0.346 19604 7184 1 11 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.226 0.001 19604 7185 1 11 . 1 1 55 55 VAL CA C 55 60.832 60.832 61.230 -0.398 19604 7186 1 11 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.317 0.999 19604 7187 1 11 . 1 1 55 55 VAL H H 55 7.133 7.133 7.449 -0.316 19604 7188 1 11 . 1 1 56 56 ASP N N 56 121.291 121.291 121.736 -0.445 19604 7189 1 11 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.694 -0.226 19604 7190 1 11 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.366 0.334 19604 7191 1 11 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.968 -0.385 19604 7192 1 11 . 1 1 56 56 ASP H H 56 7.567 7.567 7.544 0.023 19604 7193 1 11 . 1 1 57 57 ALA N N 57 131.432 131.432 130.162 1.270 19604 7194 1 11 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.174 0.055 19604 7195 1 11 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.775 0.580 19604 7196 1 11 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.671 0.024 19604 7197 1 11 . 1 1 57 57 ALA H H 57 8.064 8.064 8.200 -0.136 19604 7198 1 11 . 1 1 58 58 ASP N N 58 114.063 114.063 116.402 -2.339 19604 7199 1 11 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.578 0.059 19604 7200 1 11 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.202 -0.434 19604 7201 1 11 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.343 -0.495 19604 7202 1 11 . 1 1 58 58 ASP H H 58 8.211 8.211 7.940 0.271 19604 7203 1 11 . 1 1 59 59 GLY N N 59 108.646 108.646 108.936 -0.290 19604 7204 1 11 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.908 1.292 19604 7205 1 11 . 1 1 59 59 GLY H H 59 7.584 7.584 7.915 -0.331 19604 7206 1 11 . 1 1 60 60 ASN N N 60 118.886 118.886 118.231 0.655 19604 7207 1 11 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.751 -0.131 19604 7208 1 11 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.270 0.407 19604 7209 1 11 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.778 -2.199 19604 7210 1 11 . 1 1 60 60 ASN H H 60 8.162 8.162 8.731 -0.569 19604 7211 1 11 . 1 1 61 61 GLY N N 61 113.458 113.458 110.020 3.438 19604 7212 1 11 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.599 0.040 19604 7213 1 11 . 1 1 61 61 GLY H H 61 10.568 10.568 8.919 1.649 19604 7214 1 11 . 1 1 62 62 THR N N 62 108.490 108.490 109.536 -1.046 19604 7215 1 11 . 1 1 62 62 THR HA H 62 4.800 4.800 5.236 -0.436 19604 7216 1 11 . 1 1 62 62 THR CA C 62 59.327 59.327 59.439 -0.112 19604 7217 1 11 . 1 1 62 62 THR CB C 62 72.409 72.409 72.491 -0.082 19604 7218 1 11 . 1 1 62 62 THR H H 62 7.643 7.643 8.259 -0.616 19604 7219 1 11 . 1 1 63 63 ILE N N 63 123.350 123.350 122.832 0.518 19604 7220 1 11 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.763 0.451 19604 7221 1 11 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.621 -1.570 19604 7222 1 11 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.775 0.830 19604 7223 1 11 . 1 1 63 63 ILE H H 63 8.544 8.544 8.503 0.041 19604 7224 1 11 . 1 1 64 64 ASP N N 64 128.480 128.480 128.040 0.440 19604 7225 1 11 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.289 0.218 19604 7226 1 11 . 1 1 64 64 ASP CA C 64 51.985 51.985 52.820 -0.835 19604 7227 1 11 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.879 -0.676 19604 7228 1 11 . 1 1 64 64 ASP H H 64 8.902 8.902 8.326 0.576 19604 7229 1 11 . 1 1 65 65 PHE N N 65 118.622 118.622 120.129 -1.507 19604 7230 1 11 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.469 0.510 19604 7231 1 11 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.334 1.751 19604 7232 1 11 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.590 -0.688 19604 7233 1 11 . 1 1 65 65 PHE H H 65 8.967 8.967 8.665 0.302 19604 7234 1 11 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.653 0.235 19604 7235 1 11 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.803 2.047 19604 7236 1 11 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.691 0.109 19604 7237 1 11 . 1 1 67 67 GLU N N 67 118.243 118.243 119.300 -1.057 19604 7238 1 11 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.968 -0.003 19604 7239 1 11 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.519 -0.474 19604 7240 1 11 . 1 1 67 67 GLU CB C 67 29.874 29.874 29.003 0.871 19604 7241 1 11 . 1 1 67 67 GLU H H 67 8.420 8.420 8.012 0.408 19604 7242 1 11 . 1 1 68 68 PHE N N 68 124.020 124.020 119.867 4.153 19604 7243 1 11 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.215 -0.430 19604 7244 1 11 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.977 0.510 19604 7245 1 11 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.568 1.214 19604 7246 1 11 . 1 1 68 68 PHE H H 68 8.638 8.638 7.608 1.030 19604 7247 1 11 . 1 1 69 69 LEU N N 69 120.062 120.062 120.343 -0.281 19604 7248 1 11 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.747 -0.379 19604 7249 1 11 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.868 -0.014 19604 7250 1 11 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.468 -0.083 19604 7251 1 11 . 1 1 69 69 LEU H H 69 8.972 8.972 7.427 1.545 19604 7252 1 11 . 1 1 70 70 THR N N 70 115.488 115.488 114.157 1.331 19604 7253 1 11 . 1 1 70 70 THR HA H 70 3.697 3.697 3.837 -0.140 19604 7254 1 11 . 1 1 70 70 THR CA C 70 66.558 66.558 65.864 0.694 19604 7255 1 11 . 1 1 70 70 THR CB C 70 68.396 68.396 68.541 -0.145 19604 7256 1 11 . 1 1 70 70 THR H H 70 7.855 7.855 8.030 -0.175 19604 7257 1 11 . 1 1 71 71 MET N N 71 119.627 119.627 120.889 -1.262 19604 7258 1 11 . 1 1 71 71 MET HA H 71 3.757 3.757 3.937 -0.180 19604 7259 1 11 . 1 1 71 71 MET CA C 71 58.334 58.334 59.097 -0.763 19604 7260 1 11 . 1 1 71 71 MET CB C 71 30.736 30.736 31.751 -1.015 19604 7261 1 11 . 1 1 71 71 MET H H 71 7.155 7.155 7.323 -0.168 19604 7262 1 11 . 1 1 72 72 MET N N 72 116.046 116.046 116.790 -0.744 19604 7263 1 11 . 1 1 72 72 MET HA H 72 3.977 3.977 3.910 0.067 19604 7264 1 11 . 1 1 72 72 MET CA C 72 55.138 55.138 58.085 -2.947 19604 7265 1 11 . 1 1 72 72 MET CB C 72 29.103 29.103 31.333 -2.230 19604 7266 1 11 . 1 1 72 72 MET H H 72 7.646 7.646 7.283 0.363 19604 7267 1 11 . 1 1 73 73 ALA N N 73 120.685 120.685 120.287 0.398 19604 7268 1 11 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.138 0.044 19604 7269 1 11 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.383 -1.283 19604 7270 1 11 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.418 0.874 19604 7271 1 11 . 1 1 73 73 ALA H H 73 8.080 8.080 7.507 0.573 19604 7272 1 11 . 1 1 74 74 ARG N N 74 118.501 118.501 119.676 -1.175 19604 7273 1 11 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.069 0.119 19604 7274 1 11 . 1 1 74 74 ARG CA C 74 56.977 56.977 57.731 -0.754 19604 7275 1 11 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.522 0.995 19604 7276 1 11 . 1 1 74 74 ARG H H 74 7.367 7.367 8.040 -0.673 19604 7277 1 11 . 1 1 76 76 MET HA H 76 4.413 4.413 4.212 0.201 19604 7278 1 11 . 1 1 76 76 MET CA C 76 55.804 55.804 57.105 -1.301 19604 7279 1 11 . 1 1 76 76 MET CB C 76 33.291 33.291 32.738 0.553 19604 7280 1 11 . 1 1 77 77 LYS N N 77 121.563 121.563 115.937 5.626 19604 7281 1 11 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.541 -0.220 19604 7282 1 11 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.281 0.137 19604 7283 1 11 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.063 0.188 19604 7284 1 11 . 1 1 77 77 LYS H H 77 8.253 8.253 7.866 0.387 19604 7285 1 11 . 1 1 78 78 ASP N N 78 121.953 121.953 121.697 0.256 19604 7286 1 11 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.686 -0.068 19604 7287 1 11 . 1 1 78 78 ASP CA C 78 54.855 54.855 54.455 0.400 19604 7288 1 11 . 1 1 78 78 ASP CB C 78 41.116 41.116 42.475 -1.359 19604 7289 1 11 . 1 1 78 78 ASP H H 78 8.362 8.362 8.706 -0.344 19604 7290 1 11 . 1 1 79 79 THR N N 79 113.276 113.276 116.146 -2.870 19604 7291 1 11 . 1 1 79 79 THR HA H 79 4.305 4.305 4.647 -0.342 19604 7292 1 11 . 1 1 79 79 THR CA C 79 62.124 62.124 61.906 0.218 19604 7293 1 11 . 1 1 79 79 THR CB C 79 69.634 69.634 70.403 -0.769 19604 7294 1 11 . 1 1 79 79 THR H H 79 8.014 8.014 7.975 0.039 19604 7295 1 11 . 1 1 80 80 ASP N N 80 122.850 122.850 123.998 -1.148 19604 7296 1 11 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.682 -0.007 19604 7297 1 11 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.077 -0.422 19604 7298 1 11 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.458 -0.034 19604 7299 1 11 . 1 1 80 80 ASP H H 80 8.316 8.316 8.819 -0.503 19604 7300 1 11 . 1 1 81 81 SER N N 81 116.864 116.864 116.356 0.508 19604 7301 1 11 . 1 1 81 81 SER HA H 81 4.429 4.429 4.069 0.360 19604 7302 1 11 . 1 1 81 81 SER CA C 81 59.337 59.337 61.544 -2.207 19604 7303 1 11 . 1 1 81 81 SER CB C 81 63.672 63.672 62.889 0.784 19604 7304 1 11 . 1 1 81 81 SER H H 81 8.391 8.391 8.523 -0.132 19604 7305 1 11 . 1 1 82 82 GLU N N 82 122.561 122.561 121.328 1.233 19604 7306 1 11 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.013 0.060 19604 7307 1 11 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.524 -0.345 19604 7308 1 11 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.027 0.485 19604 7309 1 11 . 1 1 82 82 GLU H H 82 8.479 8.479 8.528 -0.049 19604 7310 1 11 . 1 1 83 83 GLU N N 83 119.348 119.348 119.748 -0.400 19604 7311 1 11 . 1 1 83 83 GLU HA H 83 4.044 4.044 3.993 0.051 19604 7312 1 11 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.643 0.004 19604 7313 1 11 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.066 0.465 19604 7314 1 11 . 1 1 83 83 GLU H H 83 8.279 8.279 8.086 0.193 19604 7315 1 11 . 1 1 84 84 GLU N N 84 118.810 118.810 119.195 -0.385 19604 7316 1 11 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.109 0.004 19604 7317 1 11 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.422 0.055 19604 7318 1 11 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.491 0.179 19604 7319 1 11 . 1 1 84 84 GLU H H 84 8.062 8.062 7.687 0.375 19604 7320 1 11 . 1 1 85 85 ILE N N 85 122.019 122.019 119.926 2.093 19604 7321 1 11 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.161 -0.243 19604 7322 1 11 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.249 0.078 19604 7323 1 11 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.138 -0.710 19604 7324 1 11 . 1 1 85 85 ILE H H 85 8.008 8.008 7.955 0.053 19604 7325 1 11 . 1 1 86 86 ARG N N 86 121.851 121.851 119.893 1.958 19604 7326 1 11 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.084 0.082 19604 7327 1 11 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.602 0.424 19604 7328 1 11 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.211 -0.244 19604 7329 1 11 . 1 1 86 86 ARG H H 86 8.446 8.446 7.793 0.653 19604 7330 1 11 . 1 1 87 87 GLU N N 87 118.621 118.621 119.078 -0.457 19604 7331 1 11 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.133 -0.023 19604 7332 1 11 . 1 1 87 87 GLU CA C 87 59.107 59.107 58.633 0.474 19604 7333 1 11 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.551 -0.125 19604 7334 1 11 . 1 1 87 87 GLU H H 87 8.149 8.149 8.300 -0.151 19604 7335 1 11 . 1 1 88 88 ALA N N 88 121.741 121.741 122.630 -0.889 19604 7336 1 11 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.701 0.324 19604 7337 1 11 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.784 0.202 19604 7338 1 11 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.078 -0.353 19604 7339 1 11 . 1 1 88 88 ALA H H 88 7.880 7.880 8.286 -0.406 19604 7340 1 11 . 1 1 89 89 PHE N N 89 118.057 118.057 118.535 -0.478 19604 7341 1 11 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.842 -0.693 19604 7342 1 11 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.461 0.906 19604 7343 1 11 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.083 0.254 19604 7344 1 11 . 1 1 89 89 PHE H H 89 8.463 8.463 7.610 0.853 19604 7345 1 11 . 1 1 90 90 ARG N N 90 115.723 115.723 118.411 -2.688 19604 7346 1 11 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.967 -0.075 19604 7347 1 11 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.775 0.113 19604 7348 1 11 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.876 0.530 19604 7349 1 11 . 1 1 90 90 ARG H H 90 7.775 7.775 7.590 0.185 19604 7350 1 11 . 1 1 91 91 VAL N N 91 118.161 118.161 116.301 1.860 19604 7351 1 11 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.664 -0.140 19604 7352 1 11 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.208 0.388 19604 7353 1 11 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.264 0.280 19604 7354 1 11 . 1 1 91 91 VAL H H 91 7.484 7.484 6.926 0.558 19604 7355 1 11 . 1 1 92 92 PHE N N 92 117.398 117.398 114.063 3.335 19604 7356 1 11 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.239 0.039 19604 7357 1 11 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.819 0.862 19604 7358 1 11 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.390 1.464 19604 7359 1 11 . 1 1 92 92 PHE H H 92 7.544 7.544 7.119 0.425 19604 7360 1 11 . 1 1 93 93 ASP N N 93 117.503 117.503 119.098 -1.595 19604 7361 1 11 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.420 0.121 19604 7362 1 11 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.769 -1.587 19604 7363 1 11 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.945 -1.518 19604 7364 1 11 . 1 1 93 93 ASP H H 93 7.963 7.963 7.381 0.582 19604 7365 1 11 . 1 1 94 94 LYS N N 94 125.976 125.976 125.710 0.266 19604 7366 1 11 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.056 -0.150 19604 7367 1 11 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.242 0.820 19604 7368 1 11 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.928 0.105 19604 7369 1 11 . 1 1 94 94 LYS H H 94 7.585 7.585 7.931 -0.346 19604 7370 1 11 . 1 1 95 95 ASP N N 95 114.100 114.100 115.420 -1.320 19604 7371 1 11 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.486 0.068 19604 7372 1 11 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.771 -0.705 19604 7373 1 11 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.399 -0.650 19604 7374 1 11 . 1 1 95 95 ASP H H 95 8.186 8.186 7.903 0.283 19604 7375 1 11 . 1 1 96 96 GLY N N 96 109.383 109.383 108.089 1.294 19604 7376 1 11 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.103 1.044 19604 7377 1 11 . 1 1 96 96 GLY H H 96 7.809 7.809 7.740 0.069 19604 7378 1 11 . 1 1 97 97 ASN N N 97 119.744 119.744 119.224 0.520 19604 7379 1 11 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.668 -0.022 19604 7380 1 11 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.847 -0.192 19604 7381 1 11 . 1 1 97 97 ASN CB C 97 38.189 38.189 39.020 -0.831 19604 7382 1 11 . 1 1 97 97 ASN H H 97 8.336 8.336 8.722 -0.386 19604 7383 1 11 . 1 1 98 98 GLY N N 98 112.937 112.937 107.568 5.369 19604 7384 1 11 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.485 -0.453 19604 7385 1 11 . 1 1 98 98 GLY H H 98 10.653 10.653 8.707 1.946 19604 7386 1 11 . 1 1 99 99 TYR N N 99 115.956 115.956 117.563 -1.607 19604 7387 1 11 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.133 -0.072 19604 7388 1 11 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.446 -1.257 19604 7389 1 11 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.952 0.092 19604 7390 1 11 . 1 1 99 99 TYR H H 99 7.630 7.630 8.529 -0.899 19604 7391 1 11 . 1 1 100 100 ILE N N 100 127.360 127.360 120.893 6.467 19604 7392 1 11 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.765 0.019 19604 7393 1 11 . 1 1 100 100 ILE CA C 100 61.019 61.019 59.752 1.267 19604 7394 1 11 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.354 -1.369 19604 7395 1 11 . 1 1 100 100 ILE H H 100 10.174 10.174 8.781 1.393 19604 7396 1 11 . 1 1 101 101 SER N N 101 124.117 124.117 123.459 0.658 19604 7397 1 11 . 1 1 101 101 SER HA H 101 4.885 4.885 4.892 -0.007 19604 7398 1 11 . 1 1 101 101 SER CA C 101 55.722 55.722 56.033 -0.311 19604 7399 1 11 . 1 1 101 101 SER CB C 101 66.631 66.631 66.390 0.241 19604 7400 1 11 . 1 1 101 101 SER H H 101 8.977 8.977 8.159 0.818 19604 7401 1 11 . 1 1 102 102 ALA N N 102 123.057 123.057 123.619 -0.562 19604 7402 1 11 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.125 -0.201 19604 7403 1 11 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.067 0.887 19604 7404 1 11 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.380 -0.489 19604 7405 1 11 . 1 1 102 102 ALA H H 102 9.261 9.261 8.944 0.317 19604 7406 1 11 . 1 1 103 103 ALA N N 103 118.685 118.685 121.672 -2.987 19604 7407 1 11 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.026 -0.001 19604 7408 1 11 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.769 0.450 19604 7409 1 11 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.521 -0.206 19604 7410 1 11 . 1 1 103 103 ALA H H 103 8.271 8.271 7.710 0.561 19604 7411 1 11 . 1 1 104 104 GLU N N 104 119.737 119.737 119.088 0.649 19604 7412 1 11 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.042 -0.005 19604 7413 1 11 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.956 0.294 19604 7414 1 11 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.698 -0.482 19604 7415 1 11 . 1 1 104 104 GLU H H 104 7.857 7.857 7.543 0.314 19604 7416 1 11 . 1 1 105 105 LEU N N 105 122.037 122.037 120.933 1.104 19604 7417 1 11 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.871 0.165 19604 7418 1 11 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.015 0.037 19604 7419 1 11 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.827 0.287 19604 7420 1 11 . 1 1 105 105 LEU H H 105 8.685 8.685 8.349 0.336 19604 7421 1 11 . 1 1 106 106 ARG N N 106 118.484 118.484 118.143 0.341 19604 7422 1 11 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.808 -0.100 19604 7423 1 11 . 1 1 106 106 ARG CA C 106 60.030 60.030 60.173 -0.143 19604 7424 1 11 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.957 0.360 19604 7425 1 11 . 1 1 106 106 ARG H H 106 8.682 8.682 7.785 0.897 19604 7426 1 11 . 1 1 107 107 HIS N N 107 118.917 118.917 116.721 2.196 19604 7427 1 11 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.338 -0.042 19604 7428 1 11 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.497 0.345 19604 7429 1 11 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.448 1.127 19604 7430 1 11 . 1 1 107 107 HIS H H 107 7.803 7.803 7.762 0.041 19604 7431 1 11 . 1 1 108 108 VAL N N 108 119.662 119.662 119.577 0.085 19604 7432 1 11 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.791 -0.333 19604 7433 1 11 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.671 0.781 19604 7434 1 11 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.141 0.452 19604 7435 1 11 . 1 1 108 108 VAL H H 108 7.887 7.887 7.759 0.128 19604 7436 1 11 . 1 1 109 109 MET N N 109 115.981 115.981 118.383 -2.402 19604 7437 1 11 . 1 1 109 109 MET HA H 109 4.296 4.296 4.153 0.143 19604 7438 1 11 . 1 1 109 109 MET CA C 109 57.062 57.062 58.272 -1.210 19604 7439 1 11 . 1 1 109 109 MET H H 109 8.128 8.128 7.849 0.279 19604 7440 1 11 . 1 1 110 110 THR N N 110 116.866 116.866 113.876 2.990 19604 7441 1 11 . 1 1 110 110 THR HA H 110 4.080 4.080 3.903 0.177 19604 7442 1 11 . 1 1 110 110 THR CA C 110 66.402 66.402 66.181 0.221 19604 7443 1 11 . 1 1 110 110 THR CB C 110 68.574 68.574 67.762 0.812 19604 7444 1 11 . 1 1 110 110 THR H H 110 8.302 8.302 7.857 0.445 19604 7445 1 11 . 1 1 111 111 ASN N N 111 122.811 122.811 118.727 4.084 19604 7446 1 11 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.540 -0.095 19604 7447 1 11 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.916 0.895 19604 7448 1 11 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.633 -0.658 19604 7449 1 11 . 1 1 111 111 ASN H H 111 7.849 7.849 7.508 0.341 19604 7450 1 11 . 1 1 112 112 LEU N N 112 118.869 118.869 119.169 -0.300 19604 7451 1 11 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.270 0.075 19604 7452 1 11 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.797 -0.706 19604 7453 1 11 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.783 -0.703 19604 7454 1 11 . 1 1 112 112 LEU H H 112 7.666 7.666 7.579 0.087 19604 7455 1 11 . 1 1 113 113 GLY N N 113 107.124 107.124 106.217 0.907 19604 7456 1 11 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.519 0.897 19604 7457 1 11 . 1 1 113 113 GLY H H 113 7.818 7.818 7.595 0.223 19604 7458 1 11 . 1 1 114 114 GLU N N 114 120.113 120.113 120.874 -0.761 19604 7459 1 11 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.540 -0.113 19604 7460 1 11 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.462 0.134 19604 7461 1 11 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.251 -0.541 19604 7462 1 11 . 1 1 114 114 GLU H H 114 7.895 7.895 7.715 0.180 19604 7463 1 11 . 1 1 115 115 LYS N N 115 124.920 124.920 124.870 0.050 19604 7464 1 11 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.229 0.151 19604 7465 1 11 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.758 -1.365 19604 7466 1 11 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.539 -0.494 19604 7467 1 11 . 1 1 115 115 LYS H H 115 8.583 8.583 8.584 -0.001 19604 7468 1 11 . 1 1 116 116 LEU N N 116 124.979 124.979 124.019 0.960 19604 7469 1 11 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.958 -0.191 19604 7470 1 11 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.111 0.970 19604 7471 1 11 . 1 1 116 116 LEU CB C 116 44.532 44.532 46.615 -2.083 19604 7472 1 11 . 1 1 116 116 LEU H H 116 8.082 8.082 8.319 -0.237 19604 7473 1 11 . 1 1 117 117 THR N N 117 114.448 114.448 111.181 3.267 19604 7474 1 11 . 1 1 117 117 THR HA H 117 4.452 4.452 4.657 -0.205 19604 7475 1 11 . 1 1 117 117 THR CA C 117 60.690 60.690 59.380 1.310 19604 7476 1 11 . 1 1 117 117 THR CB C 117 71.051 71.051 71.398 -0.347 19604 7477 1 11 . 1 1 117 117 THR H H 117 9.172 9.172 8.319 0.853 19604 7478 1 11 . 1 1 118 118 ASP N N 118 121.175 121.175 120.447 0.728 19604 7479 1 11 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.376 -0.163 19604 7480 1 11 . 1 1 118 118 ASP CA C 118 57.992 57.992 57.790 0.202 19604 7481 1 11 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.485 -0.815 19604 7482 1 11 . 1 1 118 118 ASP H H 118 8.889 8.889 8.837 0.052 19604 7483 1 11 . 1 1 119 119 GLU N N 119 119.386 119.386 118.654 0.732 19604 7484 1 11 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.163 -0.075 19604 7485 1 11 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.636 1.377 19604 7486 1 11 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.534 -0.362 19604 7487 1 11 . 1 1 119 119 GLU H H 119 8.665 8.665 8.154 0.511 19604 7488 1 11 . 1 1 120 120 GLU N N 120 120.564 120.564 119.691 0.873 19604 7489 1 11 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.154 -0.172 19604 7490 1 11 . 1 1 120 120 GLU CA C 120 59.252 59.252 58.887 0.365 19604 7491 1 11 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.743 1.017 19604 7492 1 11 . 1 1 120 120 GLU H H 120 7.715 7.715 7.528 0.187 19604 7493 1 11 . 1 1 121 121 VAL N N 121 120.955 120.955 118.599 2.356 19604 7494 1 11 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.713 -0.257 19604 7495 1 11 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.629 1.252 19604 7496 1 11 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.666 -0.336 19604 7497 1 11 . 1 1 121 121 VAL H H 121 8.050 8.050 7.884 0.166 19604 7498 1 11 . 1 1 122 122 ASP N N 122 120.016 120.016 120.402 -0.386 19604 7499 1 11 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.238 0.125 19604 7500 1 11 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.120 -0.405 19604 7501 1 11 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.541 -0.088 19604 7502 1 11 . 1 1 122 122 ASP H H 122 7.980 7.980 7.654 0.326 19604 7503 1 11 . 1 1 123 123 GLU N N 123 119.913 119.913 118.309 1.604 19604 7504 1 11 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.070 -0.025 19604 7505 1 11 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.098 0.207 19604 7506 1 11 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.316 -0.037 19604 7507 1 11 . 1 1 123 123 GLU H H 123 8.033 8.033 8.540 -0.507 19604 7508 1 11 . 1 1 124 124 MET N N 124 119.642 119.642 118.469 1.173 19604 7509 1 11 . 1 1 124 124 MET HA H 124 4.175 4.175 4.165 0.010 19604 7510 1 11 . 1 1 124 124 MET CA C 124 60.420 60.420 59.234 1.186 19604 7511 1 11 . 1 1 124 124 MET CB C 124 33.408 33.408 32.813 0.595 19604 7512 1 11 . 1 1 124 124 MET H H 124 7.930 7.930 7.698 0.232 19604 7513 1 11 . 1 1 125 125 ILE N N 125 119.663 119.663 119.445 0.218 19604 7514 1 11 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.715 -0.006 19604 7515 1 11 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.172 0.167 19604 7516 1 11 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.556 -0.221 19604 7517 1 11 . 1 1 125 125 ILE H H 125 8.147 8.147 8.022 0.125 19604 7518 1 11 . 1 1 126 126 ARG N N 126 118.998 118.998 119.007 -0.009 19604 7519 1 11 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.947 0.125 19604 7520 1 11 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.468 0.360 19604 7521 1 11 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.225 0.106 19604 7522 1 11 . 1 1 126 126 ARG H H 126 8.431 8.431 8.344 0.087 19604 7523 1 11 . 1 1 127 127 GLU N N 127 116.058 116.058 118.564 -2.506 19604 7524 1 11 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.163 -0.179 19604 7525 1 11 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.637 0.168 19604 7526 1 11 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.833 -0.027 19604 7527 1 11 . 1 1 127 127 GLU H H 127 7.899 7.899 7.689 0.210 19604 7528 1 11 . 1 1 128 128 ALA N N 128 117.702 117.702 119.624 -1.922 19604 7529 1 11 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.123 0.330 19604 7530 1 11 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.554 -1.834 19604 7531 1 11 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.221 3.165 19604 7532 1 11 . 1 1 128 128 ALA H H 128 7.222 7.222 7.512 -0.290 19604 7533 1 11 . 1 1 129 129 ASP N N 129 117.996 117.996 119.441 -1.445 19604 7534 1 11 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.803 -0.306 19604 7535 1 11 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.038 0.298 19604 7536 1 11 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.657 1.025 19604 7537 1 11 . 1 1 129 129 ASP H H 129 7.947 7.947 8.048 -0.101 19604 7538 1 11 . 1 1 130 130 ILE N N 130 128.199 128.199 124.174 4.025 19604 7539 1 11 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.865 0.043 19604 7540 1 11 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.521 -0.088 19604 7541 1 11 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.559 0.179 19604 7542 1 11 . 1 1 130 130 ILE H H 130 8.399 8.399 8.169 0.230 19604 7543 1 11 . 1 1 131 131 ASP N N 131 116.628 116.628 117.562 -0.934 19604 7544 1 11 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.507 0.006 19604 7545 1 11 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.782 0.046 19604 7546 1 11 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.408 -0.419 19604 7547 1 11 . 1 1 131 131 ASP H H 131 8.258 8.258 7.949 0.309 19604 7548 1 11 . 1 1 132 132 GLY N N 132 108.616 108.616 108.524 0.092 19604 7549 1 11 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.064 1.463 19604 7550 1 11 . 1 1 132 132 GLY H H 132 7.559 7.559 7.700 -0.141 19604 7551 1 11 . 1 1 133 133 ASP N N 133 120.901 120.901 119.848 1.053 19604 7552 1 11 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.561 -0.083 19604 7553 1 11 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.634 0.019 19604 7554 1 11 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.366 -1.095 19604 7555 1 11 . 1 1 133 133 ASP H H 133 8.340 8.340 8.721 -0.381 19604 7556 1 11 . 1 1 134 134 GLY N N 134 112.918 112.918 108.943 3.975 19604 7557 1 11 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.943 0.925 19604 7558 1 11 . 1 1 134 134 GLY H H 134 10.366 10.366 8.825 1.541 19604 7559 1 11 . 1 1 135 135 GLN N N 135 115.297 115.297 117.565 -2.268 19604 7560 1 11 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.661 0.256 19604 7561 1 11 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.849 -1.622 19604 7562 1 11 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.473 -1.131 19604 7563 1 11 . 1 1 135 135 GLN H H 135 8.012 8.012 8.608 -0.596 19604 7564 1 11 . 1 1 136 136 VAL N N 136 125.463 125.463 121.882 3.581 19604 7565 1 11 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.959 0.259 19604 7566 1 11 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.529 1.134 19604 7567 1 11 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.083 1.675 19604 7568 1 11 . 1 1 136 136 VAL H H 136 9.133 9.133 8.652 0.481 19604 7569 1 11 . 1 1 137 137 ASN N N 137 129.402 129.402 126.086 3.316 19604 7570 1 11 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.808 0.491 19604 7571 1 11 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.822 0.204 19604 7572 1 11 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.540 -1.255 19604 7573 1 11 . 1 1 137 137 ASN H H 137 9.634 9.634 8.288 1.346 19604 7574 1 11 . 1 1 138 138 TYR N N 138 118.585 118.585 122.324 -3.739 19604 7575 1 11 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.539 -0.197 19604 7576 1 11 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.812 -0.296 19604 7577 1 11 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.031 -0.335 19604 7578 1 11 . 1 1 138 138 TYR H H 138 8.400 8.400 8.737 -0.337 19604 7579 1 11 . 1 1 139 139 GLU N N 139 118.692 118.692 118.963 -0.271 19604 7580 1 11 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.643 -0.025 19604 7581 1 11 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.978 0.335 19604 7582 1 11 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.163 -0.163 19604 7583 1 11 . 1 1 139 139 GLU H H 139 8.095 8.095 8.624 -0.529 19604 7584 1 11 . 1 1 140 140 GLU N N 140 119.980 119.980 119.054 0.926 19604 7585 1 11 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.111 -0.206 19604 7586 1 11 . 1 1 140 140 GLU CA C 140 58.532 58.532 59.039 -0.507 19604 7587 1 11 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.779 -0.072 19604 7588 1 11 . 1 1 140 140 GLU H H 140 8.759 8.759 8.467 0.292 19604 7589 1 11 . 1 1 141 141 PHE N N 141 123.408 123.408 121.851 1.557 19604 7590 1 11 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.244 -0.513 19604 7591 1 11 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.648 0.335 19604 7592 1 11 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.484 0.689 19604 7593 1 11 . 1 1 141 141 PHE H H 141 8.639 8.639 8.536 0.103 19604 7594 1 11 . 1 1 142 142 VAL N N 142 119.839 119.839 119.380 0.459 19604 7595 1 11 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.585 -0.541 19604 7596 1 11 . 1 1 142 142 VAL CA C 142 67.118 67.118 65.985 1.133 19604 7597 1 11 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.997 0.518 19604 7598 1 11 . 1 1 142 142 VAL H H 142 8.781 8.781 8.613 0.168 19604 7599 1 11 . 1 1 143 143 GLN N N 143 118.240 118.240 119.499 -1.259 19604 7600 1 11 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.946 -0.144 19604 7601 1 11 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.826 -0.009 19604 7602 1 11 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.932 -0.757 19604 7603 1 11 . 1 1 143 143 GLN H H 143 7.491 7.491 7.474 0.017 19604 7604 1 11 . 1 1 144 144 MET N N 144 116.028 116.028 117.129 -1.101 19604 7605 1 11 . 1 1 144 144 MET HA H 144 4.145 4.145 4.173 -0.028 19604 7606 1 11 . 1 1 144 144 MET CA C 144 55.939 55.939 57.116 -1.177 19604 7607 1 11 . 1 1 144 144 MET CB C 144 31.345 31.345 32.635 -1.290 19604 7608 1 11 . 1 1 144 144 MET H H 144 7.176 7.176 8.050 -0.874 19604 7609 1 11 . 1 1 145 145 MET N N 145 116.272 116.272 117.408 -1.136 19604 7610 1 11 . 1 1 145 145 MET HA H 145 4.301 4.301 4.281 0.020 19604 7611 1 11 . 1 1 145 145 MET CA C 145 55.416 55.416 57.662 -2.246 19604 7612 1 11 . 1 1 145 145 MET CB C 145 32.831 32.831 33.808 -0.977 19604 7613 1 11 . 1 1 145 145 MET H H 145 7.831 7.831 7.484 0.347 19604 7614 1 11 . 1 1 146 146 THR N N 146 110.389 110.389 115.015 -4.626 19604 7615 1 11 . 1 1 146 146 THR HA H 146 4.308 4.308 4.286 0.022 19604 7616 1 11 . 1 1 146 146 THR CA C 146 61.942 61.942 62.076 -0.134 19604 7617 1 11 . 1 1 146 146 THR CB C 146 70.244 70.244 68.772 1.472 19604 7618 1 11 . 1 1 146 146 THR H H 146 7.474 7.474 7.690 -0.216 19604 7619 1 11 . 1 1 147 147 ALA N N 147 126.864 126.864 124.026 2.838 19604 7620 1 11 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.186 0.022 19604 7621 1 11 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.858 0.140 19604 7622 1 11 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.589 -0.473 19604 7623 1 11 . 1 1 147 147 ALA H H 147 7.622 7.622 7.477 0.145 19604 7624 1 12 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.580 0.060 19604 7625 1 12 . 1 1 2 2 ASP CA C 2 54.613 54.613 53.654 0.959 19604 7626 1 12 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.709 -0.358 19604 7627 1 12 . 1 1 3 3 GLN N N 3 120.300 120.300 118.949 1.351 19604 7628 1 12 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.133 0.240 19604 7629 1 12 . 1 1 3 3 GLN CA C 3 55.498 55.498 56.037 -0.539 19604 7630 1 12 . 1 1 3 3 GLN CB C 3 29.778 29.778 28.752 1.026 19604 7631 1 12 . 1 1 3 3 GLN H H 3 8.388 8.388 8.429 -0.041 19604 7632 1 12 . 1 1 4 4 LEU N N 4 123.525 123.525 123.947 -0.422 19604 7633 1 12 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.547 0.140 19604 7634 1 12 . 1 1 4 4 LEU CA C 4 54.359 54.359 55.375 -1.016 19604 7635 1 12 . 1 1 4 4 LEU CB C 4 43.653 43.653 41.224 2.429 19604 7636 1 12 . 1 1 4 4 LEU H H 4 8.299 8.299 8.550 -0.251 19604 7637 1 12 . 1 1 5 5 THR N N 5 113.299 113.299 117.152 -3.853 19604 7638 1 12 . 1 1 5 5 THR HA H 5 4.476 4.476 4.708 -0.232 19604 7639 1 12 . 1 1 5 5 THR CA C 5 60.463 60.463 60.209 0.255 19604 7640 1 12 . 1 1 5 5 THR CB C 5 71.250 71.250 71.335 -0.085 19604 7641 1 12 . 1 1 5 5 THR H H 5 8.651 8.651 8.070 0.581 19604 7642 1 12 . 1 1 6 6 GLU N N 6 120.620 120.620 121.392 -0.772 19604 7643 1 12 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.000 -0.025 19604 7644 1 12 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.430 -0.495 19604 7645 1 12 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.409 -0.210 19604 7646 1 12 . 1 1 6 6 GLU H H 6 9.014 9.014 8.959 0.055 19604 7647 1 12 . 1 1 7 7 GLU N N 7 119.586 119.586 118.033 1.553 19604 7648 1 12 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.026 0.042 19604 7649 1 12 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.133 0.810 19604 7650 1 12 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.344 -0.266 19604 7651 1 12 . 1 1 7 7 GLU H H 7 8.713 8.713 8.650 0.063 19604 7652 1 12 . 1 1 8 8 GLN N N 8 120.413 120.413 119.142 1.271 19604 7653 1 12 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.014 -0.189 19604 7654 1 12 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.484 0.291 19604 7655 1 12 . 1 1 8 8 GLN CB C 8 29.460 29.460 29.035 0.425 19604 7656 1 12 . 1 1 8 8 GLN H H 8 7.719 7.719 7.379 0.340 19604 7657 1 12 . 1 1 9 9 ILE N N 9 119.362 119.362 120.684 -1.322 19604 7658 1 12 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.983 -0.315 19604 7659 1 12 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.961 1.274 19604 7660 1 12 . 1 1 9 9 ILE CB C 9 37.821 37.821 38.075 -0.254 19604 7661 1 12 . 1 1 9 9 ILE H H 9 8.267 8.267 8.548 -0.281 19604 7662 1 12 . 1 1 10 10 ALA N N 10 121.321 121.321 121.390 -0.069 19604 7663 1 12 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.002 0.116 19604 7664 1 12 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.456 -0.059 19604 7665 1 12 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.859 -0.063 19604 7666 1 12 . 1 1 10 10 ALA H H 10 8.023 8.023 8.424 -0.401 19604 7667 1 12 . 1 1 11 11 GLU N N 11 119.865 119.865 118.655 1.210 19604 7668 1 12 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.130 0.011 19604 7669 1 12 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.617 0.794 19604 7670 1 12 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.217 -0.009 19604 7671 1 12 . 1 1 11 11 GLU H H 11 7.761 7.761 8.022 -0.261 19604 7672 1 12 . 1 1 12 12 PHE N N 12 119.971 119.971 118.876 1.095 19604 7673 1 12 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.506 0.517 19604 7674 1 12 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.037 -1.325 19604 7675 1 12 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.858 -1.341 19604 7676 1 12 . 1 1 12 12 PHE H H 12 8.479 8.479 7.533 0.946 19604 7677 1 12 . 1 1 13 13 LYS N N 13 123.604 123.604 120.760 2.844 19604 7678 1 12 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.149 -0.175 19604 7679 1 12 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.451 -0.495 19604 7680 1 12 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.341 -0.563 19604 7681 1 12 . 1 1 13 13 LYS H H 13 9.222 9.222 9.038 0.184 19604 7682 1 12 . 1 1 14 14 GLU N N 14 120.976 120.976 118.608 2.368 19604 7683 1 12 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.096 0.017 19604 7684 1 12 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.189 0.373 19604 7685 1 12 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.451 -0.036 19604 7686 1 12 . 1 1 14 14 GLU H H 14 7.924 7.924 8.013 -0.089 19604 7687 1 12 . 1 1 15 15 ALA N N 15 122.303 122.303 122.103 0.200 19604 7688 1 12 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.264 0.060 19604 7689 1 12 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.797 0.341 19604 7690 1 12 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.556 -0.554 19604 7691 1 12 . 1 1 15 15 ALA H H 15 7.990 7.990 7.578 0.412 19604 7692 1 12 . 1 1 16 16 PHE N N 16 119.011 119.011 119.273 -0.262 19604 7693 1 12 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.325 -0.055 19604 7694 1 12 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.546 1.442 19604 7695 1 12 . 1 1 16 16 PHE CB C 16 39.906 39.906 38.891 1.015 19604 7696 1 12 . 1 1 16 16 PHE H H 16 8.666 8.666 7.886 0.780 19604 7697 1 12 . 1 1 17 17 SER N N 17 113.988 113.988 113.647 0.341 19604 7698 1 12 . 1 1 17 17 SER HA H 17 4.086 4.086 3.975 0.111 19604 7699 1 12 . 1 1 17 17 SER CA C 17 61.532 61.532 61.357 0.175 19604 7700 1 12 . 1 1 17 17 SER CB C 17 62.921 62.921 63.200 -0.279 19604 7701 1 12 . 1 1 17 17 SER H H 17 8.202 8.202 8.086 0.116 19604 7702 1 12 . 1 1 18 18 LEU N N 18 120.913 120.913 119.456 1.457 19604 7703 1 12 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.050 -0.100 19604 7704 1 12 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.017 0.470 19604 7705 1 12 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.953 -0.430 19604 7706 1 12 . 1 1 18 18 LEU H H 18 7.280 7.280 7.183 0.097 19604 7707 1 12 . 1 1 19 19 PHE N N 19 113.613 113.613 114.202 -0.589 19604 7708 1 12 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.214 -0.182 19604 7709 1 12 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.704 -0.298 19604 7710 1 12 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.334 2.223 19604 7711 1 12 . 1 1 19 19 PHE H H 19 7.070 7.070 7.370 -0.300 19604 7712 1 12 . 1 1 20 20 ASP N N 20 117.393 117.393 118.990 -1.597 19604 7713 1 12 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.777 -0.184 19604 7714 1 12 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.319 -0.851 19604 7715 1 12 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.252 -0.956 19604 7716 1 12 . 1 1 20 20 ASP H H 20 7.790 7.790 7.423 0.367 19604 7717 1 12 . 1 1 21 21 LYS N N 21 124.292 124.292 124.851 -0.559 19604 7718 1 12 . 1 1 21 21 LYS HA H 21 3.978 3.978 3.974 0.004 19604 7719 1 12 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.595 -0.275 19604 7720 1 12 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.897 -0.224 19604 7721 1 12 . 1 1 21 21 LYS H H 21 7.707 7.707 8.111 -0.404 19604 7722 1 12 . 1 1 22 22 ASP N N 22 114.139 114.139 115.147 -1.008 19604 7723 1 12 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.477 0.103 19604 7724 1 12 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.879 -1.088 19604 7725 1 12 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.137 -0.572 19604 7726 1 12 . 1 1 22 22 ASP H H 22 8.025 8.025 8.557 -0.532 19604 7727 1 12 . 1 1 23 23 GLY N N 23 109.378 109.378 108.551 0.827 19604 7728 1 12 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.252 0.964 19604 7729 1 12 . 1 1 23 23 GLY H H 23 7.661 7.661 7.677 -0.016 19604 7730 1 12 . 1 1 24 24 ASP N N 24 121.022 121.022 119.398 1.624 19604 7731 1 12 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.546 -0.031 19604 7732 1 12 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.525 0.153 19604 7733 1 12 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.658 -1.155 19604 7734 1 12 . 1 1 24 24 ASP H H 24 8.466 8.466 8.400 0.066 19604 7735 1 12 . 1 1 25 25 GLY N N 25 112.810 112.810 109.028 3.782 19604 7736 1 12 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.386 -0.040 19604 7737 1 12 . 1 1 25 25 GLY H H 25 10.507 10.507 9.169 1.338 19604 7738 1 12 . 1 1 26 26 THR N N 26 112.094 112.094 113.779 -1.685 19604 7739 1 12 . 1 1 26 26 THR HA H 26 5.431 5.431 5.343 0.088 19604 7740 1 12 . 1 1 26 26 THR CA C 26 59.576 59.576 60.254 -0.678 19604 7741 1 12 . 1 1 26 26 THR CB C 26 72.730 72.730 71.431 1.299 19604 7742 1 12 . 1 1 26 26 THR H H 26 8.191 8.191 8.366 -0.175 19604 7743 1 12 . 1 1 27 27 ILE N N 27 126.447 126.447 127.255 -0.808 19604 7744 1 12 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.256 0.511 19604 7745 1 12 . 1 1 27 27 ILE CA C 27 61.130 61.130 61.005 0.125 19604 7746 1 12 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.446 1.542 19604 7747 1 12 . 1 1 27 27 ILE H H 27 9.845 9.845 8.840 1.005 19604 7748 1 12 . 1 1 28 28 THR N N 28 116.315 116.315 118.597 -2.282 19604 7749 1 12 . 1 1 28 28 THR HA H 28 4.894 4.894 4.891 0.003 19604 7750 1 12 . 1 1 28 28 THR CA C 28 59.217 59.217 59.947 -0.730 19604 7751 1 12 . 1 1 28 28 THR CB C 28 72.480 72.480 71.138 1.342 19604 7752 1 12 . 1 1 28 28 THR H H 28 8.322 8.322 8.404 -0.082 19604 7753 1 12 . 1 1 29 29 THR N N 29 112.270 112.270 113.349 -1.079 19604 7754 1 12 . 1 1 29 29 THR HA H 29 3.790 3.790 4.043 -0.253 19604 7755 1 12 . 1 1 29 29 THR CA C 29 66.207 66.207 65.989 0.218 19604 7756 1 12 . 1 1 29 29 THR CB C 29 67.737 67.737 68.205 -0.468 19604 7757 1 12 . 1 1 29 29 THR H H 29 9.251 9.251 8.931 0.320 19604 7758 1 12 . 1 1 30 30 LYS N N 30 121.127 121.127 122.017 -0.890 19604 7759 1 12 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.087 0.031 19604 7760 1 12 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.880 -0.623 19604 7761 1 12 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.275 0.258 19604 7762 1 12 . 1 1 30 30 LYS H H 30 7.569 7.569 7.537 0.032 19604 7763 1 12 . 1 1 31 31 GLU N N 31 121.876 121.876 120.153 1.723 19604 7764 1 12 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.101 -0.085 19604 7765 1 12 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.093 0.364 19604 7766 1 12 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.760 -0.209 19604 7767 1 12 . 1 1 31 31 GLU H H 31 7.715 7.715 7.609 0.106 19604 7768 1 12 . 1 1 32 32 LEU N N 32 120.674 120.674 120.658 0.016 19604 7769 1 12 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.377 -0.183 19604 7770 1 12 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.580 0.607 19604 7771 1 12 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.587 0.568 19604 7772 1 12 . 1 1 32 32 LEU H H 32 8.592 8.592 8.648 -0.056 19604 7773 1 12 . 1 1 33 33 GLY N N 33 106.859 106.859 106.178 0.681 19604 7774 1 12 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.317 0.910 19604 7775 1 12 . 1 1 33 33 GLY H H 33 8.861 8.861 8.288 0.573 19604 7776 1 12 . 1 1 34 34 THR N N 34 118.512 118.512 119.091 -0.579 19604 7777 1 12 . 1 1 34 34 THR HA H 34 3.935 3.935 3.976 -0.041 19604 7778 1 12 . 1 1 34 34 THR CA C 34 66.964 66.964 66.752 0.212 19604 7779 1 12 . 1 1 34 34 THR CB C 34 68.610 68.610 68.482 0.128 19604 7780 1 12 . 1 1 34 34 THR H H 34 7.965 7.965 7.805 0.160 19604 7781 1 12 . 1 1 35 35 VAL N N 35 122.456 122.456 120.980 1.476 19604 7782 1 12 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.578 -0.007 19604 7783 1 12 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.016 0.543 19604 7784 1 12 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.062 0.469 19604 7785 1 12 . 1 1 35 35 VAL H H 35 7.532 7.532 7.550 -0.018 19604 7786 1 12 . 1 1 36 36 MET N N 36 118.015 118.015 116.640 1.375 19604 7787 1 12 . 1 1 36 36 MET HA H 36 3.899 3.899 4.035 -0.136 19604 7788 1 12 . 1 1 36 36 MET CA C 36 60.156 60.156 59.231 0.925 19604 7789 1 12 . 1 1 36 36 MET CB C 36 31.731 31.731 32.156 -0.425 19604 7790 1 12 . 1 1 36 36 MET H H 36 8.525 8.525 7.702 0.823 19604 7791 1 12 . 1 1 37 37 ARG N N 37 119.604 119.604 119.471 0.133 19604 7792 1 12 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.257 0.524 19604 7793 1 12 . 1 1 37 37 ARG CA C 37 59.256 59.256 60.034 -0.778 19604 7794 1 12 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.955 -0.342 19604 7795 1 12 . 1 1 37 37 ARG H H 37 8.579 8.579 7.990 0.589 19604 7796 1 12 . 1 1 38 38 SER N N 38 119.543 119.543 115.993 3.550 19604 7797 1 12 . 1 1 38 38 SER HA H 38 4.396 4.396 4.243 0.153 19604 7798 1 12 . 1 1 38 38 SER CA C 38 61.758 61.758 61.150 0.608 19604 7799 1 12 . 1 1 38 38 SER CB C 38 62.691 62.691 62.625 0.066 19604 7800 1 12 . 1 1 38 38 SER H H 38 7.939 7.939 7.718 0.221 19604 7801 1 12 . 1 1 39 39 LEU N N 39 120.454 120.454 119.530 0.924 19604 7802 1 12 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.448 -0.007 19604 7803 1 12 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.145 -0.529 19604 7804 1 12 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.241 -0.111 19604 7805 1 12 . 1 1 39 39 LEU H H 39 7.394 7.394 7.530 -0.136 19604 7806 1 12 . 1 1 40 40 GLY N N 40 107.378 107.378 106.149 1.229 19604 7807 1 12 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.501 1.114 19604 7808 1 12 . 1 1 40 40 GLY H H 40 7.897 7.897 7.798 0.099 19604 7809 1 12 . 1 1 41 41 GLN N N 41 118.330 118.330 119.289 -0.959 19604 7810 1 12 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.510 -0.009 19604 7811 1 12 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.392 -0.074 19604 7812 1 12 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.338 -0.844 19604 7813 1 12 . 1 1 41 41 GLN H H 41 7.883 7.883 8.260 -0.377 19604 7814 1 12 . 1 1 42 42 ASN N N 42 116.488 116.488 121.654 -5.166 19604 7815 1 12 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.068 0.144 19604 7816 1 12 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.602 1.526 19604 7817 1 12 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.688 0.483 19604 7818 1 12 . 1 1 42 42 ASN H H 42 8.697 8.697 8.772 -0.075 19604 7819 1 12 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.843 -0.059 19604 7820 1 12 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.809 -0.486 19604 7821 1 12 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.202 -0.923 19604 7822 1 12 . 1 1 44 44 THR N N 44 112.452 112.452 113.154 -0.702 19604 7823 1 12 . 1 1 44 44 THR HA H 44 4.461 4.461 4.537 -0.076 19604 7824 1 12 . 1 1 44 44 THR CA C 44 60.411 60.411 59.862 0.549 19604 7825 1 12 . 1 1 44 44 THR CB C 44 71.068 71.068 71.316 -0.248 19604 7826 1 12 . 1 1 44 44 THR H H 44 8.678 8.678 8.107 0.571 19604 7827 1 12 . 1 1 45 45 GLU N N 45 120.954 120.954 121.159 -0.205 19604 7828 1 12 . 1 1 45 45 GLU HA H 45 4.010 4.010 4.101 -0.091 19604 7829 1 12 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.190 -0.307 19604 7830 1 12 . 1 1 45 45 GLU H H 45 8.803 8.803 9.079 -0.276 19604 7831 1 12 . 1 1 46 46 ALA N N 46 120.643 120.643 122.041 -1.398 19604 7832 1 12 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.212 -0.095 19604 7833 1 12 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.569 0.445 19604 7834 1 12 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.233 -0.059 19604 7835 1 12 . 1 1 46 46 ALA H H 46 8.272 8.272 8.002 0.270 19604 7836 1 12 . 1 1 47 47 GLU N N 47 119.059 119.059 120.070 -1.011 19604 7837 1 12 . 1 1 47 47 GLU HA H 47 4.035 4.035 3.885 0.150 19604 7838 1 12 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.646 -0.483 19604 7839 1 12 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.674 0.252 19604 7840 1 12 . 1 1 47 47 GLU H H 47 7.686 7.686 8.032 -0.346 19604 7841 1 12 . 1 1 48 48 LEU N N 48 119.848 119.848 119.353 0.495 19604 7842 1 12 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.880 0.145 19604 7843 1 12 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.197 -0.356 19604 7844 1 12 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.787 0.643 19604 7845 1 12 . 1 1 48 48 LEU H H 48 8.036 8.036 7.929 0.107 19604 7846 1 12 . 1 1 49 49 GLN N N 49 118.226 118.226 117.509 0.717 19604 7847 1 12 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.944 -0.141 19604 7848 1 12 . 1 1 49 49 GLN CA C 49 58.561 58.561 59.190 -0.629 19604 7849 1 12 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.909 0.333 19604 7850 1 12 . 1 1 49 49 GLN H H 49 8.323 8.323 7.752 0.571 19604 7851 1 12 . 1 1 50 50 ASP N N 50 119.928 119.928 120.833 -0.905 19604 7852 1 12 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.345 0.053 19604 7853 1 12 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.558 0.051 19604 7854 1 12 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.933 -0.300 19604 7855 1 12 . 1 1 50 50 ASP H H 50 8.147 8.147 7.992 0.155 19604 7856 1 12 . 1 1 51 51 MET N N 51 117.796 117.796 116.808 0.988 19604 7857 1 12 . 1 1 51 51 MET HA H 51 4.050 4.050 4.266 -0.216 19604 7858 1 12 . 1 1 51 51 MET CA C 51 59.555 59.555 59.127 0.428 19604 7859 1 12 . 1 1 51 51 MET CB C 51 32.846 32.846 32.808 0.038 19604 7860 1 12 . 1 1 51 51 MET H H 51 7.814 7.814 7.477 0.337 19604 7861 1 12 . 1 1 52 52 ILE N N 52 118.474 118.474 121.113 -2.639 19604 7862 1 12 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.532 0.067 19604 7863 1 12 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.392 -1.286 19604 7864 1 12 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.685 -0.626 19604 7865 1 12 . 1 1 52 52 ILE H H 52 7.685 7.685 8.743 -1.058 19604 7866 1 12 . 1 1 53 53 ASN N N 53 118.591 118.591 116.459 2.132 19604 7867 1 12 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.413 0.004 19604 7868 1 12 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.550 0.355 19604 7869 1 12 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.894 0.097 19604 7870 1 12 . 1 1 53 53 ASN H H 53 8.786 8.786 8.343 0.443 19604 7871 1 12 . 1 1 54 54 GLU N N 54 115.327 115.327 117.634 -2.307 19604 7872 1 12 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.121 -0.073 19604 7873 1 12 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.408 0.669 19604 7874 1 12 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.063 0.862 19604 7875 1 12 . 1 1 54 54 GLU H H 54 7.368 7.368 7.521 -0.153 19604 7876 1 12 . 1 1 55 55 VAL N N 55 111.285 111.285 111.292 -0.007 19604 7877 1 12 . 1 1 55 55 VAL HA H 55 4.227 4.227 3.986 0.241 19604 7878 1 12 . 1 1 55 55 VAL CA C 55 60.832 60.832 63.011 -2.179 19604 7879 1 12 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.925 1.391 19604 7880 1 12 . 1 1 55 55 VAL H H 55 7.133 7.133 7.278 -0.145 19604 7881 1 12 . 1 1 56 56 ASP N N 56 121.291 121.291 121.582 -0.291 19604 7882 1 12 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.801 -0.333 19604 7883 1 12 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.243 -0.543 19604 7884 1 12 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.076 0.507 19604 7885 1 12 . 1 1 56 56 ASP H H 56 7.567 7.567 7.742 -0.175 19604 7886 1 12 . 1 1 57 57 ALA N N 57 131.432 131.432 129.860 1.572 19604 7887 1 12 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.184 0.045 19604 7888 1 12 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.710 0.645 19604 7889 1 12 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.945 -0.250 19604 7890 1 12 . 1 1 57 57 ALA H H 57 8.064 8.064 8.655 -0.591 19604 7891 1 12 . 1 1 58 58 ASP N N 58 114.063 114.063 116.348 -2.285 19604 7892 1 12 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.593 0.044 19604 7893 1 12 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.559 -0.791 19604 7894 1 12 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.793 -0.945 19604 7895 1 12 . 1 1 58 58 ASP H H 58 8.211 8.211 8.198 0.013 19604 7896 1 12 . 1 1 59 59 GLY N N 59 108.646 108.646 109.403 -0.757 19604 7897 1 12 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.921 1.279 19604 7898 1 12 . 1 1 59 59 GLY H H 59 7.584 7.584 7.944 -0.360 19604 7899 1 12 . 1 1 60 60 ASN N N 60 118.886 118.886 118.837 0.049 19604 7900 1 12 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.748 -0.128 19604 7901 1 12 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.332 0.345 19604 7902 1 12 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.728 -2.150 19604 7903 1 12 . 1 1 60 60 ASN H H 60 8.162 8.162 8.665 -0.503 19604 7904 1 12 . 1 1 61 61 GLY N N 61 113.458 113.458 109.708 3.750 19604 7905 1 12 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.420 0.219 19604 7906 1 12 . 1 1 61 61 GLY H H 61 10.568 10.568 9.224 1.344 19604 7907 1 12 . 1 1 62 62 THR N N 62 108.490 108.490 110.326 -1.836 19604 7908 1 12 . 1 1 62 62 THR HA H 62 4.800 4.800 5.160 -0.360 19604 7909 1 12 . 1 1 62 62 THR CA C 62 59.327 59.327 59.931 -0.604 19604 7910 1 12 . 1 1 62 62 THR CB C 62 72.409 72.409 72.607 -0.198 19604 7911 1 12 . 1 1 62 62 THR H H 62 7.643 7.643 8.335 -0.692 19604 7912 1 12 . 1 1 63 63 ILE N N 63 123.350 123.350 122.858 0.492 19604 7913 1 12 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.811 0.403 19604 7914 1 12 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.302 -1.251 19604 7915 1 12 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.486 1.119 19604 7916 1 12 . 1 1 63 63 ILE H H 63 8.544 8.544 8.434 0.110 19604 7917 1 12 . 1 1 64 64 ASP N N 64 128.480 128.480 128.780 -0.300 19604 7918 1 12 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.205 0.302 19604 7919 1 12 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.344 -1.359 19604 7920 1 12 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.462 0.741 19604 7921 1 12 . 1 1 64 64 ASP H H 64 8.902 8.902 8.307 0.595 19604 7922 1 12 . 1 1 65 65 PHE N N 65 118.622 118.622 120.287 -1.665 19604 7923 1 12 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.396 0.583 19604 7924 1 12 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.577 1.508 19604 7925 1 12 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.670 -0.768 19604 7926 1 12 . 1 1 65 65 PHE H H 65 8.967 8.967 8.707 0.260 19604 7927 1 12 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.627 0.261 19604 7928 1 12 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.835 2.014 19604 7929 1 12 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.665 0.135 19604 7930 1 12 . 1 1 67 67 GLU N N 67 118.243 118.243 118.601 -0.358 19604 7931 1 12 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.915 0.050 19604 7932 1 12 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.696 -0.651 19604 7933 1 12 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.985 0.889 19604 7934 1 12 . 1 1 67 67 GLU H H 67 8.420 8.420 8.230 0.190 19604 7935 1 12 . 1 1 68 68 PHE N N 68 124.020 124.020 119.764 4.256 19604 7936 1 12 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.266 -0.481 19604 7937 1 12 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.609 0.878 19604 7938 1 12 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.525 1.257 19604 7939 1 12 . 1 1 68 68 PHE H H 68 8.638 8.638 7.449 1.189 19604 7940 1 12 . 1 1 69 69 LEU N N 69 120.062 120.062 120.278 -0.216 19604 7941 1 12 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.870 -0.502 19604 7942 1 12 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.439 0.415 19604 7943 1 12 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.432 -0.048 19604 7944 1 12 . 1 1 69 69 LEU H H 69 8.972 8.972 7.315 1.657 19604 7945 1 12 . 1 1 70 70 THR N N 70 115.488 115.488 114.617 0.871 19604 7946 1 12 . 1 1 70 70 THR HA H 70 3.697 3.697 3.724 -0.027 19604 7947 1 12 . 1 1 70 70 THR CA C 70 66.558 66.558 66.165 0.393 19604 7948 1 12 . 1 1 70 70 THR CB C 70 68.396 68.396 68.433 -0.037 19604 7949 1 12 . 1 1 70 70 THR H H 70 7.855 7.855 8.178 -0.323 19604 7950 1 12 . 1 1 71 71 MET N N 71 119.627 119.627 120.083 -0.456 19604 7951 1 12 . 1 1 71 71 MET HA H 71 3.757 3.757 4.030 -0.273 19604 7952 1 12 . 1 1 71 71 MET CA C 71 58.334 58.334 58.706 -0.372 19604 7953 1 12 . 1 1 71 71 MET CB C 71 30.736 30.736 32.219 -1.483 19604 7954 1 12 . 1 1 71 71 MET H H 71 7.155 7.155 7.330 -0.175 19604 7955 1 12 . 1 1 72 72 MET N N 72 116.046 116.046 115.706 0.340 19604 7956 1 12 . 1 1 72 72 MET HA H 72 3.977 3.977 4.154 -0.177 19604 7957 1 12 . 1 1 72 72 MET CA C 72 55.138 55.138 57.546 -2.408 19604 7958 1 12 . 1 1 72 72 MET CB C 72 29.103 29.103 32.627 -3.524 19604 7959 1 12 . 1 1 72 72 MET H H 72 7.646 7.646 7.347 0.299 19604 7960 1 12 . 1 1 73 73 ALA N N 73 120.685 120.685 122.266 -1.581 19604 7961 1 12 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.023 0.159 19604 7962 1 12 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.441 -1.341 19604 7963 1 12 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.165 1.127 19604 7964 1 12 . 1 1 73 73 ALA H H 73 8.080 8.080 7.760 0.320 19604 7965 1 12 . 1 1 74 74 ARG N N 74 118.501 118.501 118.089 0.412 19604 7966 1 12 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.998 0.190 19604 7967 1 12 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.249 -1.272 19604 7968 1 12 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.081 0.436 19604 7969 1 12 . 1 1 74 74 ARG H H 74 7.367 7.367 8.098 -0.731 19604 7970 1 12 . 1 1 76 76 MET HA H 76 4.413 4.413 4.388 0.025 19604 7971 1 12 . 1 1 76 76 MET CA C 76 55.804 55.804 56.878 -1.074 19604 7972 1 12 . 1 1 76 76 MET CB C 76 33.291 33.291 33.188 0.103 19604 7973 1 12 . 1 1 77 77 LYS N N 77 121.563 121.563 120.687 0.876 19604 7974 1 12 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.246 0.075 19604 7975 1 12 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.989 -0.571 19604 7976 1 12 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.262 -0.011 19604 7977 1 12 . 1 1 77 77 LYS H H 77 8.253 8.253 7.203 1.050 19604 7978 1 12 . 1 1 78 78 ASP N N 78 121.953 121.953 121.037 0.916 19604 7979 1 12 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.829 -0.211 19604 7980 1 12 . 1 1 78 78 ASP CA C 78 54.855 54.855 54.375 0.480 19604 7981 1 12 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.441 0.676 19604 7982 1 12 . 1 1 78 78 ASP H H 78 8.362 8.362 8.740 -0.378 19604 7983 1 12 . 1 1 79 79 THR N N 79 113.276 113.276 110.789 2.487 19604 7984 1 12 . 1 1 79 79 THR HA H 79 4.305 4.305 4.543 -0.238 19604 7985 1 12 . 1 1 79 79 THR CA C 79 62.124 62.124 62.523 -0.399 19604 7986 1 12 . 1 1 79 79 THR CB C 79 69.634 69.634 69.955 -0.321 19604 7987 1 12 . 1 1 79 79 THR H H 79 8.014 8.014 8.092 -0.078 19604 7988 1 12 . 1 1 80 80 ASP N N 80 122.850 122.850 121.353 1.497 19604 7989 1 12 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.791 -0.116 19604 7990 1 12 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.567 0.088 19604 7991 1 12 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.066 0.358 19604 7992 1 12 . 1 1 80 80 ASP H H 80 8.316 8.316 8.161 0.155 19604 7993 1 12 . 1 1 81 81 SER N N 81 116.864 116.864 116.880 -0.016 19604 7994 1 12 . 1 1 81 81 SER HA H 81 4.429 4.429 4.190 0.239 19604 7995 1 12 . 1 1 81 81 SER CA C 81 59.337 59.337 61.184 -1.847 19604 7996 1 12 . 1 1 81 81 SER CB C 81 63.672 63.672 62.927 0.745 19604 7997 1 12 . 1 1 81 81 SER H H 81 8.391 8.391 8.229 0.162 19604 7998 1 12 . 1 1 82 82 GLU N N 82 122.561 122.561 119.855 2.706 19604 7999 1 12 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.020 0.053 19604 8000 1 12 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.278 -0.099 19604 8001 1 12 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.297 0.215 19604 8002 1 12 . 1 1 82 82 GLU H H 82 8.479 8.479 8.798 -0.319 19604 8003 1 12 . 1 1 83 83 GLU N N 83 119.348 119.348 119.609 -0.261 19604 8004 1 12 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.090 -0.046 19604 8005 1 12 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.214 0.433 19604 8006 1 12 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.371 0.160 19604 8007 1 12 . 1 1 83 83 GLU H H 83 8.279 8.279 8.076 0.203 19604 8008 1 12 . 1 1 84 84 GLU N N 84 118.810 118.810 119.012 -0.202 19604 8009 1 12 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.090 0.023 19604 8010 1 12 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.331 0.146 19604 8011 1 12 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.348 0.321 19604 8012 1 12 . 1 1 84 84 GLU H H 84 8.062 8.062 7.837 0.225 19604 8013 1 12 . 1 1 85 85 ILE N N 85 122.019 122.019 120.088 1.931 19604 8014 1 12 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.972 -0.054 19604 8015 1 12 . 1 1 85 85 ILE CA C 85 65.327 65.327 64.737 0.590 19604 8016 1 12 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.990 -0.562 19604 8017 1 12 . 1 1 85 85 ILE H H 85 8.008 8.008 7.423 0.585 19604 8018 1 12 . 1 1 86 86 ARG N N 86 121.851 121.851 120.107 1.744 19604 8019 1 12 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.053 0.113 19604 8020 1 12 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.832 0.194 19604 8021 1 12 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.971 -0.004 19604 8022 1 12 . 1 1 86 86 ARG H H 86 8.446 8.446 8.092 0.354 19604 8023 1 12 . 1 1 87 87 GLU N N 87 118.621 118.621 118.820 -0.199 19604 8024 1 12 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.073 0.037 19604 8025 1 12 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.320 -0.213 19604 8026 1 12 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.541 -0.115 19604 8027 1 12 . 1 1 87 87 GLU H H 87 8.149 8.149 8.354 -0.205 19604 8028 1 12 . 1 1 88 88 ALA N N 88 121.741 121.741 121.908 -0.167 19604 8029 1 12 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.798 0.227 19604 8030 1 12 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.385 0.601 19604 8031 1 12 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.366 -0.642 19604 8032 1 12 . 1 1 88 88 ALA H H 88 7.880 7.880 7.464 0.416 19604 8033 1 12 . 1 1 89 89 PHE N N 89 118.057 118.057 119.493 -1.436 19604 8034 1 12 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.857 -0.708 19604 8035 1 12 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.778 0.588 19604 8036 1 12 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.154 0.184 19604 8037 1 12 . 1 1 89 89 PHE H H 89 8.463 8.463 8.575 -0.112 19604 8038 1 12 . 1 1 90 90 ARG N N 90 115.723 115.723 117.326 -1.603 19604 8039 1 12 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.021 -0.129 19604 8040 1 12 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.905 -0.017 19604 8041 1 12 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.651 0.755 19604 8042 1 12 . 1 1 90 90 ARG H H 90 7.775 7.775 7.592 0.183 19604 8043 1 12 . 1 1 91 91 VAL N N 91 118.161 118.161 117.870 0.291 19604 8044 1 12 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.780 -0.256 19604 8045 1 12 . 1 1 91 91 VAL CA C 91 65.596 65.596 63.983 1.613 19604 8046 1 12 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.493 0.051 19604 8047 1 12 . 1 1 91 91 VAL H H 91 7.484 7.484 7.090 0.394 19604 8048 1 12 . 1 1 92 92 PHE N N 92 117.398 117.398 115.446 1.952 19604 8049 1 12 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.441 -0.163 19604 8050 1 12 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.134 1.547 19604 8051 1 12 . 1 1 92 92 PHE CB C 92 39.854 39.854 39.339 0.515 19604 8052 1 12 . 1 1 92 92 PHE H H 92 7.544 7.544 7.400 0.144 19604 8053 1 12 . 1 1 93 93 ASP N N 93 117.503 117.503 120.751 -3.248 19604 8054 1 12 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.519 0.022 19604 8055 1 12 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.825 -1.643 19604 8056 1 12 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.001 -1.573 19604 8057 1 12 . 1 1 93 93 ASP H H 93 7.963 7.963 7.969 -0.006 19604 8058 1 12 . 1 1 94 94 LYS N N 94 125.976 125.976 124.702 1.274 19604 8059 1 12 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.080 -0.174 19604 8060 1 12 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.004 1.058 19604 8061 1 12 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.720 0.313 19604 8062 1 12 . 1 1 94 94 LYS H H 94 7.585 7.585 8.181 -0.596 19604 8063 1 12 . 1 1 95 95 ASP N N 95 114.100 114.100 114.662 -0.562 19604 8064 1 12 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.487 0.067 19604 8065 1 12 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.750 -0.684 19604 8066 1 12 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.090 -0.341 19604 8067 1 12 . 1 1 95 95 ASP H H 95 8.186 8.186 7.915 0.271 19604 8068 1 12 . 1 1 96 96 GLY N N 96 109.383 109.383 108.445 0.938 19604 8069 1 12 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.068 1.080 19604 8070 1 12 . 1 1 96 96 GLY H H 96 7.809 7.809 7.769 0.040 19604 8071 1 12 . 1 1 97 97 ASN N N 97 119.744 119.744 119.442 0.302 19604 8072 1 12 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.659 -0.013 19604 8073 1 12 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.865 -0.210 19604 8074 1 12 . 1 1 97 97 ASN CB C 97 38.189 38.189 39.013 -0.824 19604 8075 1 12 . 1 1 97 97 ASN H H 97 8.336 8.336 8.534 -0.198 19604 8076 1 12 . 1 1 98 98 GLY N N 98 112.937 112.937 107.726 5.211 19604 8077 1 12 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.547 -0.515 19604 8078 1 12 . 1 1 98 98 GLY H H 98 10.653 10.653 8.727 1.926 19604 8079 1 12 . 1 1 99 99 TYR N N 99 115.956 115.956 117.544 -1.588 19604 8080 1 12 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.043 0.018 19604 8081 1 12 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.592 -1.403 19604 8082 1 12 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.749 0.295 19604 8083 1 12 . 1 1 99 99 TYR H H 99 7.630 7.630 8.383 -0.753 19604 8084 1 12 . 1 1 100 100 ILE N N 100 127.360 127.360 122.127 5.233 19604 8085 1 12 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.510 0.274 19604 8086 1 12 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.297 0.722 19604 8087 1 12 . 1 1 100 100 ILE CB C 100 38.985 38.985 41.081 -2.096 19604 8088 1 12 . 1 1 100 100 ILE H H 100 10.174 10.174 8.961 1.213 19604 8089 1 12 . 1 1 101 101 SER N N 101 124.117 124.117 122.695 1.422 19604 8090 1 12 . 1 1 101 101 SER HA H 101 4.885 4.885 4.875 0.010 19604 8091 1 12 . 1 1 101 101 SER CA C 101 55.722 55.722 55.972 -0.250 19604 8092 1 12 . 1 1 101 101 SER CB C 101 66.631 66.631 66.138 0.493 19604 8093 1 12 . 1 1 101 101 SER H H 101 8.977 8.977 8.661 0.316 19604 8094 1 12 . 1 1 102 102 ALA N N 102 123.057 123.057 123.012 0.045 19604 8095 1 12 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.217 -0.293 19604 8096 1 12 . 1 1 102 102 ALA CA C 102 55.954 55.954 54.540 1.414 19604 8097 1 12 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.481 -0.590 19604 8098 1 12 . 1 1 102 102 ALA H H 102 9.261 9.261 8.874 0.387 19604 8099 1 12 . 1 1 103 103 ALA N N 103 118.685 118.685 122.140 -3.455 19604 8100 1 12 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.138 -0.114 19604 8101 1 12 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.519 0.700 19604 8102 1 12 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.676 -0.361 19604 8103 1 12 . 1 1 103 103 ALA H H 103 8.271 8.271 7.656 0.615 19604 8104 1 12 . 1 1 104 104 GLU N N 104 119.737 119.737 118.964 0.773 19604 8105 1 12 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.021 0.016 19604 8106 1 12 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.983 0.267 19604 8107 1 12 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.680 -0.464 19604 8108 1 12 . 1 1 104 104 GLU H H 104 7.857 7.857 7.545 0.312 19604 8109 1 12 . 1 1 105 105 LEU N N 105 122.037 122.037 120.456 1.581 19604 8110 1 12 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.938 0.098 19604 8111 1 12 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.748 0.304 19604 8112 1 12 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.813 0.301 19604 8113 1 12 . 1 1 105 105 LEU H H 105 8.685 8.685 7.952 0.733 19604 8114 1 12 . 1 1 106 106 ARG N N 106 118.484 118.484 118.029 0.455 19604 8115 1 12 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.831 -0.123 19604 8116 1 12 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.957 0.073 19604 8117 1 12 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.922 0.395 19604 8118 1 12 . 1 1 106 106 ARG H H 106 8.682 8.682 7.733 0.949 19604 8119 1 12 . 1 1 107 107 HIS N N 107 118.917 118.917 118.072 0.845 19604 8120 1 12 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.389 -0.093 19604 8121 1 12 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.559 0.284 19604 8122 1 12 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.755 0.822 19604 8123 1 12 . 1 1 107 107 HIS H H 107 7.803 7.803 7.921 -0.118 19604 8124 1 12 . 1 1 108 108 VAL N N 108 119.662 119.662 119.287 0.375 19604 8125 1 12 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.752 -0.294 19604 8126 1 12 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.845 0.607 19604 8127 1 12 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.262 0.331 19604 8128 1 12 . 1 1 108 108 VAL H H 108 7.887 7.887 7.283 0.604 19604 8129 1 12 . 1 1 109 109 MET N N 109 115.981 115.981 118.347 -2.366 19604 8130 1 12 . 1 1 109 109 MET HA H 109 4.296 4.296 4.168 0.128 19604 8131 1 12 . 1 1 109 109 MET CA C 109 57.062 57.062 58.345 -1.283 19604 8132 1 12 . 1 1 109 109 MET H H 109 8.128 8.128 8.604 -0.476 19604 8133 1 12 . 1 1 110 110 THR N N 110 116.866 116.866 111.963 4.903 19604 8134 1 12 . 1 1 110 110 THR HA H 110 4.080 4.080 3.937 0.143 19604 8135 1 12 . 1 1 110 110 THR CA C 110 66.402 66.402 65.284 1.119 19604 8136 1 12 . 1 1 110 110 THR CB C 110 68.574 68.574 67.793 0.781 19604 8137 1 12 . 1 1 110 110 THR H H 110 8.302 8.302 8.253 0.049 19604 8138 1 12 . 1 1 111 111 ASN N N 111 122.811 122.811 118.486 4.325 19604 8139 1 12 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.521 -0.076 19604 8140 1 12 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.947 0.864 19604 8141 1 12 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.620 -0.645 19604 8142 1 12 . 1 1 111 111 ASN H H 111 7.849 7.849 7.448 0.401 19604 8143 1 12 . 1 1 112 112 LEU N N 112 118.869 118.869 119.156 -0.287 19604 8144 1 12 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.254 0.091 19604 8145 1 12 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.920 -0.829 19604 8146 1 12 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.656 -0.576 19604 8147 1 12 . 1 1 112 112 LEU H H 112 7.666 7.666 7.770 -0.104 19604 8148 1 12 . 1 1 113 113 GLY N N 113 107.124 107.124 105.817 1.307 19604 8149 1 12 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.460 0.956 19604 8150 1 12 . 1 1 113 113 GLY H H 113 7.818 7.818 7.558 0.260 19604 8151 1 12 . 1 1 114 114 GLU N N 114 120.113 120.113 120.494 -0.381 19604 8152 1 12 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.522 -0.095 19604 8153 1 12 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.588 0.008 19604 8154 1 12 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.698 -0.988 19604 8155 1 12 . 1 1 114 114 GLU H H 114 7.895 7.895 7.813 0.082 19604 8156 1 12 . 1 1 115 115 LYS N N 115 124.920 124.920 126.246 -1.326 19604 8157 1 12 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.256 0.124 19604 8158 1 12 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.378 -0.985 19604 8159 1 12 . 1 1 115 115 LYS CB C 115 32.045 32.045 31.771 0.274 19604 8160 1 12 . 1 1 115 115 LYS H H 115 8.583 8.583 8.577 0.006 19604 8161 1 12 . 1 1 116 116 LEU N N 116 124.979 124.979 127.258 -2.279 19604 8162 1 12 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.752 0.015 19604 8163 1 12 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.840 0.241 19604 8164 1 12 . 1 1 116 116 LEU CB C 116 44.532 44.532 44.234 0.298 19604 8165 1 12 . 1 1 116 116 LEU H H 116 8.082 8.082 7.839 0.243 19604 8166 1 12 . 1 1 117 117 THR N N 117 114.448 114.448 114.093 0.355 19604 8167 1 12 . 1 1 117 117 THR HA H 117 4.452 4.452 4.405 0.047 19604 8168 1 12 . 1 1 117 117 THR CA C 117 60.690 60.690 60.203 0.487 19604 8169 1 12 . 1 1 117 117 THR CB C 117 71.051 71.051 70.401 0.650 19604 8170 1 12 . 1 1 117 117 THR H H 117 9.172 9.172 8.306 0.867 19604 8171 1 12 . 1 1 118 118 ASP N N 118 121.175 121.175 120.602 0.573 19604 8172 1 12 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.260 -0.047 19604 8173 1 12 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.596 -0.604 19604 8174 1 12 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.653 -0.983 19604 8175 1 12 . 1 1 118 118 ASP H H 118 8.889 8.889 8.799 0.090 19604 8176 1 12 . 1 1 119 119 GLU N N 119 119.386 119.386 118.570 0.816 19604 8177 1 12 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.071 0.017 19604 8178 1 12 . 1 1 119 119 GLU CA C 119 60.013 60.013 59.027 0.986 19604 8179 1 12 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.517 -0.345 19604 8180 1 12 . 1 1 119 119 GLU H H 119 8.665 8.665 8.450 0.215 19604 8181 1 12 . 1 1 120 120 GLU N N 120 120.564 120.564 119.124 1.440 19604 8182 1 12 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.141 -0.159 19604 8183 1 12 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.011 0.241 19604 8184 1 12 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.407 1.353 19604 8185 1 12 . 1 1 120 120 GLU H H 120 7.715 7.715 7.512 0.203 19604 8186 1 12 . 1 1 121 121 VAL N N 121 120.955 120.955 119.080 1.875 19604 8187 1 12 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.728 -0.272 19604 8188 1 12 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.545 1.336 19604 8189 1 12 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.155 0.175 19604 8190 1 12 . 1 1 121 121 VAL H H 121 8.050 8.050 7.782 0.268 19604 8191 1 12 . 1 1 122 122 ASP N N 122 120.016 120.016 119.948 0.068 19604 8192 1 12 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.221 0.142 19604 8193 1 12 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.911 -0.197 19604 8194 1 12 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.652 -0.199 19604 8195 1 12 . 1 1 122 122 ASP H H 122 7.980 7.980 7.816 0.164 19604 8196 1 12 . 1 1 123 123 GLU N N 123 119.913 119.913 118.633 1.280 19604 8197 1 12 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.042 0.003 19604 8198 1 12 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.818 0.487 19604 8199 1 12 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.298 -0.019 19604 8200 1 12 . 1 1 123 123 GLU H H 123 8.033 8.033 7.913 0.120 19604 8201 1 12 . 1 1 124 124 MET N N 124 119.642 119.642 118.312 1.330 19604 8202 1 12 . 1 1 124 124 MET HA H 124 4.175 4.175 4.036 0.139 19604 8203 1 12 . 1 1 124 124 MET CA C 124 60.420 60.420 59.510 0.910 19604 8204 1 12 . 1 1 124 124 MET CB C 124 33.408 33.408 32.833 0.575 19604 8205 1 12 . 1 1 124 124 MET H H 124 7.930 7.930 7.715 0.215 19604 8206 1 12 . 1 1 125 125 ILE N N 125 119.663 119.663 119.194 0.469 19604 8207 1 12 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.692 0.017 19604 8208 1 12 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.223 0.116 19604 8209 1 12 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.448 -0.113 19604 8210 1 12 . 1 1 125 125 ILE H H 125 8.147 8.147 8.049 0.098 19604 8211 1 12 . 1 1 126 126 ARG N N 126 118.998 118.998 118.914 0.084 19604 8212 1 12 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.969 0.103 19604 8213 1 12 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.189 0.639 19604 8214 1 12 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.005 0.327 19604 8215 1 12 . 1 1 126 126 ARG H H 126 8.431 8.431 8.316 0.115 19604 8216 1 12 . 1 1 127 127 GLU N N 127 116.058 116.058 118.728 -2.670 19604 8217 1 12 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.145 -0.161 19604 8218 1 12 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.665 0.140 19604 8219 1 12 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.772 0.034 19604 8220 1 12 . 1 1 127 127 GLU H H 127 7.899 7.899 7.701 0.198 19604 8221 1 12 . 1 1 128 128 ALA N N 128 117.702 117.702 119.559 -1.857 19604 8222 1 12 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.087 0.366 19604 8223 1 12 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.419 -1.699 19604 8224 1 12 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.216 3.170 19604 8225 1 12 . 1 1 128 128 ALA H H 128 7.222 7.222 7.471 -0.249 19604 8226 1 12 . 1 1 129 129 ASP N N 129 117.996 117.996 119.425 -1.429 19604 8227 1 12 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.788 -0.291 19604 8228 1 12 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.034 0.302 19604 8229 1 12 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.644 1.038 19604 8230 1 12 . 1 1 129 129 ASP H H 129 7.947 7.947 8.029 -0.082 19604 8231 1 12 . 1 1 130 130 ILE N N 130 128.199 128.199 124.127 4.072 19604 8232 1 12 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.861 0.047 19604 8233 1 12 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.492 -0.059 19604 8234 1 12 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.551 0.187 19604 8235 1 12 . 1 1 130 130 ILE H H 130 8.399 8.399 8.153 0.246 19604 8236 1 12 . 1 1 131 131 ASP N N 131 116.628 116.628 117.554 -0.926 19604 8237 1 12 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.505 0.008 19604 8238 1 12 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.768 0.060 19604 8239 1 12 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.408 -0.419 19604 8240 1 12 . 1 1 131 131 ASP H H 131 8.258 8.258 7.922 0.336 19604 8241 1 12 . 1 1 132 132 GLY N N 132 108.616 108.616 108.534 0.082 19604 8242 1 12 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.049 1.478 19604 8243 1 12 . 1 1 132 132 GLY H H 132 7.559 7.559 7.694 -0.135 19604 8244 1 12 . 1 1 133 133 ASP N N 133 120.901 120.901 119.830 1.071 19604 8245 1 12 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.560 -0.082 19604 8246 1 12 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.615 0.038 19604 8247 1 12 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.368 -1.097 19604 8248 1 12 . 1 1 133 133 ASP H H 133 8.340 8.340 8.723 -0.383 19604 8249 1 12 . 1 1 134 134 GLY N N 134 112.918 112.918 108.921 3.997 19604 8250 1 12 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.944 0.924 19604 8251 1 12 . 1 1 134 134 GLY H H 134 10.366 10.366 8.824 1.542 19604 8252 1 12 . 1 1 135 135 GLN N N 135 115.297 115.297 117.680 -2.383 19604 8253 1 12 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.669 0.248 19604 8254 1 12 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.838 -1.611 19604 8255 1 12 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.569 -1.227 19604 8256 1 12 . 1 1 135 135 GLN H H 135 8.012 8.012 8.532 -0.520 19604 8257 1 12 . 1 1 136 136 VAL N N 136 125.463 125.463 122.063 3.400 19604 8258 1 12 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.938 0.280 19604 8259 1 12 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.831 0.832 19604 8260 1 12 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.603 1.155 19604 8261 1 12 . 1 1 136 136 VAL H H 136 9.133 9.133 8.866 0.267 19604 8262 1 12 . 1 1 137 137 ASN N N 137 129.402 129.402 126.096 3.306 19604 8263 1 12 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.673 0.626 19604 8264 1 12 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.798 0.228 19604 8265 1 12 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.950 -1.665 19604 8266 1 12 . 1 1 137 137 ASN H H 137 9.634 9.634 8.257 1.377 19604 8267 1 12 . 1 1 138 138 TYR N N 138 118.585 118.585 122.258 -3.673 19604 8268 1 12 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.526 -0.184 19604 8269 1 12 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.508 -0.991 19604 8270 1 12 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.296 -0.600 19604 8271 1 12 . 1 1 138 138 TYR H H 138 8.400 8.400 8.758 -0.358 19604 8272 1 12 . 1 1 139 139 GLU N N 139 118.692 118.692 118.497 0.195 19604 8273 1 12 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.842 -0.224 19604 8274 1 12 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.887 0.427 19604 8275 1 12 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.240 -0.240 19604 8276 1 12 . 1 1 139 139 GLU H H 139 8.095 8.095 8.654 -0.559 19604 8277 1 12 . 1 1 140 140 GLU N N 140 119.980 119.980 118.805 1.175 19604 8278 1 12 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.101 -0.196 19604 8279 1 12 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.923 -0.391 19604 8280 1 12 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.720 -0.012 19604 8281 1 12 . 1 1 140 140 GLU H H 140 8.759 8.759 8.424 0.335 19604 8282 1 12 . 1 1 141 141 PHE N N 141 123.408 123.408 121.517 1.891 19604 8283 1 12 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.227 -0.496 19604 8284 1 12 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.340 0.643 19604 8285 1 12 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.340 0.833 19604 8286 1 12 . 1 1 141 141 PHE H H 141 8.639 8.639 8.425 0.214 19604 8287 1 12 . 1 1 142 142 VAL N N 142 119.839 119.839 119.642 0.197 19604 8288 1 12 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.560 -0.516 19604 8289 1 12 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.846 0.272 19604 8290 1 12 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.084 0.431 19604 8291 1 12 . 1 1 142 142 VAL H H 142 8.781 8.781 8.557 0.224 19604 8292 1 12 . 1 1 143 143 GLN N N 143 118.240 118.240 118.508 -0.268 19604 8293 1 12 . 1 1 143 143 GLN HA H 143 3.802 3.802 4.002 -0.200 19604 8294 1 12 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.640 0.177 19604 8295 1 12 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.677 -0.502 19604 8296 1 12 . 1 1 143 143 GLN H H 143 7.491 7.491 7.575 -0.084 19604 8297 1 12 . 1 1 144 144 MET N N 144 116.028 116.028 119.150 -3.122 19604 8298 1 12 . 1 1 144 144 MET HA H 144 4.145 4.145 4.113 0.032 19604 8299 1 12 . 1 1 144 144 MET CA C 144 55.939 55.939 57.896 -1.957 19604 8300 1 12 . 1 1 144 144 MET CB C 144 31.345 31.345 32.420 -1.075 19604 8301 1 12 . 1 1 144 144 MET H H 144 7.176 7.176 7.694 -0.518 19604 8302 1 12 . 1 1 145 145 MET N N 145 116.272 116.272 118.602 -2.330 19604 8303 1 12 . 1 1 145 145 MET HA H 145 4.301 4.301 4.195 0.106 19604 8304 1 12 . 1 1 145 145 MET CA C 145 55.416 55.416 58.241 -2.825 19604 8305 1 12 . 1 1 145 145 MET CB C 145 32.831 32.831 33.308 -0.477 19604 8306 1 12 . 1 1 145 145 MET H H 145 7.831 7.831 7.931 -0.100 19604 8307 1 12 . 1 1 146 146 THR N N 146 110.389 110.389 113.292 -2.903 19604 8308 1 12 . 1 1 146 146 THR HA H 146 4.308 4.308 4.429 -0.121 19604 8309 1 12 . 1 1 146 146 THR CA C 146 61.942 61.942 61.889 0.053 19604 8310 1 12 . 1 1 146 146 THR CB C 146 70.244 70.244 68.749 1.495 19604 8311 1 12 . 1 1 146 146 THR H H 146 7.474 7.474 7.644 -0.170 19604 8312 1 12 . 1 1 147 147 ALA N N 147 126.864 126.864 124.539 2.325 19604 8313 1 12 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.159 0.049 19604 8314 1 12 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.286 -0.288 19604 8315 1 12 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.799 -0.683 19604 8316 1 12 . 1 1 147 147 ALA H H 147 7.622 7.622 7.370 0.252 19604 8317 1 13 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.531 0.109 19604 8318 1 13 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.174 0.439 19604 8319 1 13 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.215 0.136 19604 8320 1 13 . 1 1 3 3 GLN N N 3 120.300 120.300 120.770 -0.470 19604 8321 1 13 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.595 -0.222 19604 8322 1 13 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.420 0.078 19604 8323 1 13 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.531 0.247 19604 8324 1 13 . 1 1 3 3 GLN H H 3 8.388 8.388 8.092 0.296 19604 8325 1 13 . 1 1 4 4 LEU N N 4 123.525 123.525 127.129 -3.604 19604 8326 1 13 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.830 -0.143 19604 8327 1 13 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.201 0.158 19604 8328 1 13 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.347 0.306 19604 8329 1 13 . 1 1 4 4 LEU H H 4 8.299 8.299 8.608 -0.309 19604 8330 1 13 . 1 1 5 5 THR N N 5 113.299 113.299 115.682 -2.383 19604 8331 1 13 . 1 1 5 5 THR HA H 5 4.476 4.476 4.585 -0.109 19604 8332 1 13 . 1 1 5 5 THR CA C 5 60.463 60.463 60.383 0.080 19604 8333 1 13 . 1 1 5 5 THR CB C 5 71.250 71.250 70.538 0.712 19604 8334 1 13 . 1 1 5 5 THR H H 5 8.651 8.651 8.177 0.474 19604 8335 1 13 . 1 1 6 6 GLU N N 6 120.620 120.620 121.390 -0.770 19604 8336 1 13 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.051 -0.076 19604 8337 1 13 . 1 1 6 6 GLU CA C 6 59.935 59.935 59.702 0.233 19604 8338 1 13 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.486 -0.287 19604 8339 1 13 . 1 1 6 6 GLU H H 6 9.014 9.014 8.782 0.232 19604 8340 1 13 . 1 1 7 7 GLU N N 7 119.586 119.586 117.731 1.855 19604 8341 1 13 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.009 0.059 19604 8342 1 13 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.347 0.596 19604 8343 1 13 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.257 -0.179 19604 8344 1 13 . 1 1 7 7 GLU H H 7 8.713 8.713 8.671 0.042 19604 8345 1 13 . 1 1 8 8 GLN N N 8 120.413 120.413 119.052 1.361 19604 8346 1 13 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.064 -0.239 19604 8347 1 13 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.479 0.296 19604 8348 1 13 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.978 0.482 19604 8349 1 13 . 1 1 8 8 GLN H H 8 7.719 7.719 7.632 0.087 19604 8350 1 13 . 1 1 9 9 ILE N N 9 119.362 119.362 120.492 -1.130 19604 8351 1 13 . 1 1 9 9 ILE HA H 9 3.668 3.668 4.013 -0.345 19604 8352 1 13 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.781 1.454 19604 8353 1 13 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.919 -0.098 19604 8354 1 13 . 1 1 9 9 ILE H H 9 8.267 8.267 8.639 -0.372 19604 8355 1 13 . 1 1 10 10 ALA N N 10 121.321 121.321 123.259 -1.938 19604 8356 1 13 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.959 0.159 19604 8357 1 13 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.671 -0.274 19604 8358 1 13 . 1 1 10 10 ALA CB C 10 17.796 17.796 18.011 -0.215 19604 8359 1 13 . 1 1 10 10 ALA H H 10 8.023 8.023 8.374 -0.351 19604 8360 1 13 . 1 1 11 11 GLU N N 11 119.865 119.865 117.987 1.878 19604 8361 1 13 . 1 1 11 11 GLU HA H 11 4.141 4.141 3.957 0.184 19604 8362 1 13 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.125 0.286 19604 8363 1 13 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.065 0.143 19604 8364 1 13 . 1 1 11 11 GLU H H 11 7.761 7.761 7.869 -0.108 19604 8365 1 13 . 1 1 12 12 PHE N N 12 119.971 119.971 117.937 2.034 19604 8366 1 13 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.491 0.532 19604 8367 1 13 . 1 1 12 12 PHE CA C 12 58.712 58.712 59.847 -1.135 19604 8368 1 13 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.438 -0.922 19604 8369 1 13 . 1 1 12 12 PHE H H 12 8.479 8.479 7.100 1.379 19604 8370 1 13 . 1 1 13 13 LYS N N 13 123.604 123.604 121.361 2.243 19604 8371 1 13 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.082 -0.107 19604 8372 1 13 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.670 -0.714 19604 8373 1 13 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.238 -0.460 19604 8374 1 13 . 1 1 13 13 LYS H H 13 9.222 9.222 8.709 0.513 19604 8375 1 13 . 1 1 14 14 GLU N N 14 120.976 120.976 118.516 2.460 19604 8376 1 13 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.114 -0.001 19604 8377 1 13 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.390 0.172 19604 8378 1 13 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.616 -0.201 19604 8379 1 13 . 1 1 14 14 GLU H H 14 7.924 7.924 8.151 -0.227 19604 8380 1 13 . 1 1 15 15 ALA N N 15 122.303 122.303 122.176 0.127 19604 8381 1 13 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.258 0.066 19604 8382 1 13 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.969 0.169 19604 8383 1 13 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.388 -0.386 19604 8384 1 13 . 1 1 15 15 ALA H H 15 7.990 7.990 7.656 0.334 19604 8385 1 13 . 1 1 16 16 PHE N N 16 119.011 119.011 119.658 -0.647 19604 8386 1 13 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.928 -0.658 19604 8387 1 13 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.526 0.462 19604 8388 1 13 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.372 0.534 19604 8389 1 13 . 1 1 16 16 PHE H H 16 8.666 8.666 8.342 0.324 19604 8390 1 13 . 1 1 17 17 SER N N 17 113.988 113.988 113.821 0.167 19604 8391 1 13 . 1 1 17 17 SER HA H 17 4.086 4.086 4.188 -0.102 19604 8392 1 13 . 1 1 17 17 SER CA C 17 61.532 61.532 61.103 0.429 19604 8393 1 13 . 1 1 17 17 SER CB C 17 62.921 62.921 63.136 -0.214 19604 8394 1 13 . 1 1 17 17 SER H H 17 8.202 8.202 8.214 -0.012 19604 8395 1 13 . 1 1 18 18 LEU N N 18 120.913 120.913 120.375 0.538 19604 8396 1 13 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.061 -0.111 19604 8397 1 13 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.046 0.441 19604 8398 1 13 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.947 -0.424 19604 8399 1 13 . 1 1 18 18 LEU H H 18 7.280 7.280 7.528 -0.248 19604 8400 1 13 . 1 1 19 19 PHE N N 19 113.613 113.613 113.925 -0.312 19604 8401 1 13 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.206 -0.174 19604 8402 1 13 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.467 -0.061 19604 8403 1 13 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.185 2.372 19604 8404 1 13 . 1 1 19 19 PHE H H 19 7.070 7.070 7.264 -0.194 19604 8405 1 13 . 1 1 20 20 ASP N N 20 117.393 117.393 119.315 -1.922 19604 8406 1 13 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.465 0.128 19604 8407 1 13 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.865 -1.397 19604 8408 1 13 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.254 -0.958 19604 8409 1 13 . 1 1 20 20 ASP H H 20 7.790 7.790 7.605 0.185 19604 8410 1 13 . 1 1 21 21 LYS N N 21 124.292 124.292 125.542 -1.250 19604 8411 1 13 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.000 -0.022 19604 8412 1 13 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.614 -0.294 19604 8413 1 13 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.718 -0.045 19604 8414 1 13 . 1 1 21 21 LYS H H 21 7.707 7.707 8.124 -0.417 19604 8415 1 13 . 1 1 22 22 ASP N N 22 114.139 114.139 115.092 -0.953 19604 8416 1 13 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.554 0.026 19604 8417 1 13 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.691 -0.899 19604 8418 1 13 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.233 -0.668 19604 8419 1 13 . 1 1 22 22 ASP H H 22 8.025 8.025 7.986 0.039 19604 8420 1 13 . 1 1 23 23 GLY N N 23 109.378 109.378 108.972 0.406 19604 8421 1 13 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.259 0.957 19604 8422 1 13 . 1 1 23 23 GLY H H 23 7.661 7.661 7.728 -0.067 19604 8423 1 13 . 1 1 24 24 ASP N N 24 121.022 121.022 120.075 0.947 19604 8424 1 13 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.633 -0.118 19604 8425 1 13 . 1 1 24 24 ASP CA C 24 53.678 53.678 52.089 1.589 19604 8426 1 13 . 1 1 24 24 ASP CB C 24 40.503 40.503 40.982 -0.479 19604 8427 1 13 . 1 1 24 24 ASP H H 24 8.466 8.466 8.312 0.154 19604 8428 1 13 . 1 1 25 25 GLY N N 25 112.810 112.810 108.189 4.621 19604 8429 1 13 . 1 1 25 25 GLY CA C 25 45.346 45.346 46.238 -0.892 19604 8430 1 13 . 1 1 25 25 GLY H H 25 10.507 10.507 8.975 1.532 19604 8431 1 13 . 1 1 26 26 THR N N 26 112.094 112.094 109.349 2.745 19604 8432 1 13 . 1 1 26 26 THR HA H 26 5.431 5.431 5.401 0.030 19604 8433 1 13 . 1 1 26 26 THR CA C 26 59.576 59.576 59.928 -0.352 19604 8434 1 13 . 1 1 26 26 THR CB C 26 72.730 72.730 72.103 0.627 19604 8435 1 13 . 1 1 26 26 THR H H 26 8.191 8.191 8.115 0.076 19604 8436 1 13 . 1 1 27 27 ILE N N 27 126.447 126.447 121.832 4.615 19604 8437 1 13 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.898 -0.131 19604 8438 1 13 . 1 1 27 27 ILE CA C 27 61.130 61.130 59.966 1.164 19604 8439 1 13 . 1 1 27 27 ILE CB C 27 39.988 39.988 41.152 -1.164 19604 8440 1 13 . 1 1 27 27 ILE H H 27 9.845 9.845 8.792 1.053 19604 8441 1 13 . 1 1 28 28 THR N N 28 116.315 116.315 116.841 -0.526 19604 8442 1 13 . 1 1 28 28 THR HA H 28 4.894 4.894 4.967 -0.073 19604 8443 1 13 . 1 1 28 28 THR CA C 28 59.217 59.217 59.488 -0.271 19604 8444 1 13 . 1 1 28 28 THR CB C 28 72.480 72.480 71.724 0.756 19604 8445 1 13 . 1 1 28 28 THR H H 28 8.322 8.322 8.728 -0.406 19604 8446 1 13 . 1 1 29 29 THR N N 29 112.270 112.270 111.974 0.296 19604 8447 1 13 . 1 1 29 29 THR HA H 29 3.790 3.790 4.028 -0.238 19604 8448 1 13 . 1 1 29 29 THR CA C 29 66.207 66.207 65.830 0.377 19604 8449 1 13 . 1 1 29 29 THR CB C 29 67.737 67.737 68.735 -0.998 19604 8450 1 13 . 1 1 29 29 THR H H 29 9.251 9.251 8.799 0.453 19604 8451 1 13 . 1 1 30 30 LYS N N 30 121.127 121.127 122.272 -1.145 19604 8452 1 13 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.160 -0.042 19604 8453 1 13 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.543 0.714 19604 8454 1 13 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.365 0.168 19604 8455 1 13 . 1 1 30 30 LYS H H 30 7.569 7.569 7.623 -0.054 19604 8456 1 13 . 1 1 31 31 GLU N N 31 121.876 121.876 120.272 1.604 19604 8457 1 13 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.033 -0.017 19604 8458 1 13 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.424 0.033 19604 8459 1 13 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.742 -0.191 19604 8460 1 13 . 1 1 31 31 GLU H H 31 7.715 7.715 7.604 0.111 19604 8461 1 13 . 1 1 32 32 LEU N N 32 120.674 120.674 120.561 0.113 19604 8462 1 13 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.255 -0.061 19604 8463 1 13 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.282 0.904 19604 8464 1 13 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.125 0.031 19604 8465 1 13 . 1 1 32 32 LEU H H 32 8.592 8.592 8.564 0.028 19604 8466 1 13 . 1 1 33 33 GLY N N 33 106.859 106.859 105.389 1.470 19604 8467 1 13 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.547 0.680 19604 8468 1 13 . 1 1 33 33 GLY H H 33 8.861 8.861 7.957 0.904 19604 8469 1 13 . 1 1 34 34 THR N N 34 118.512 118.512 118.481 0.031 19604 8470 1 13 . 1 1 34 34 THR HA H 34 3.935 3.935 3.931 0.004 19604 8471 1 13 . 1 1 34 34 THR CA C 34 66.964 66.964 67.051 -0.087 19604 8472 1 13 . 1 1 34 34 THR CB C 34 68.610 68.610 68.608 0.002 19604 8473 1 13 . 1 1 34 34 THR H H 34 7.965 7.965 7.511 0.454 19604 8474 1 13 . 1 1 35 35 VAL N N 35 122.456 122.456 121.563 0.893 19604 8475 1 13 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.645 -0.074 19604 8476 1 13 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.202 0.357 19604 8477 1 13 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.230 0.301 19604 8478 1 13 . 1 1 35 35 VAL H H 35 7.532 7.532 7.637 -0.105 19604 8479 1 13 . 1 1 36 36 MET N N 36 118.015 118.015 117.604 0.411 19604 8480 1 13 . 1 1 36 36 MET HA H 36 3.899 3.899 4.109 -0.210 19604 8481 1 13 . 1 1 36 36 MET CA C 36 60.156 60.156 58.467 1.689 19604 8482 1 13 . 1 1 36 36 MET CB C 36 31.731 31.731 31.586 0.145 19604 8483 1 13 . 1 1 36 36 MET H H 36 8.525 8.525 7.901 0.624 19604 8484 1 13 . 1 1 37 37 ARG N N 37 119.604 119.604 119.909 -0.305 19604 8485 1 13 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.030 0.751 19604 8486 1 13 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.560 -0.304 19604 8487 1 13 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.039 -0.426 19604 8488 1 13 . 1 1 37 37 ARG H H 37 8.579 8.579 7.993 0.586 19604 8489 1 13 . 1 1 38 38 SER N N 38 119.543 119.543 115.258 4.285 19604 8490 1 13 . 1 1 38 38 SER HA H 38 4.396 4.396 4.274 0.122 19604 8491 1 13 . 1 1 38 38 SER CA C 38 61.758 61.758 61.063 0.695 19604 8492 1 13 . 1 1 38 38 SER CB C 38 62.691 62.691 63.056 -0.365 19604 8493 1 13 . 1 1 38 38 SER H H 38 7.939 7.939 7.808 0.131 19604 8494 1 13 . 1 1 39 39 LEU N N 39 120.454 120.454 119.272 1.182 19604 8495 1 13 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.495 -0.054 19604 8496 1 13 . 1 1 39 39 LEU CA C 39 54.616 54.616 54.931 -0.315 19604 8497 1 13 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.777 -0.647 19604 8498 1 13 . 1 1 39 39 LEU H H 39 7.394 7.394 7.509 -0.115 19604 8499 1 13 . 1 1 40 40 GLY N N 40 107.378 107.378 107.021 0.357 19604 8500 1 13 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.834 0.781 19604 8501 1 13 . 1 1 40 40 GLY H H 40 7.897 7.897 7.826 0.071 19604 8502 1 13 . 1 1 41 41 GLN N N 41 118.330 118.330 122.010 -3.680 19604 8503 1 13 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.361 0.140 19604 8504 1 13 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.805 -0.487 19604 8505 1 13 . 1 1 41 41 GLN CB C 41 30.494 30.494 28.998 1.496 19604 8506 1 13 . 1 1 41 41 GLN H H 41 7.883 7.883 7.805 0.078 19604 8507 1 13 . 1 1 42 42 ASN N N 42 116.488 116.488 124.623 -8.135 19604 8508 1 13 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.006 0.206 19604 8509 1 13 . 1 1 42 42 ASN CA C 42 51.128 51.128 50.225 0.903 19604 8510 1 13 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.009 0.162 19604 8511 1 13 . 1 1 42 42 ASN H H 42 8.697 8.697 8.285 0.412 19604 8512 1 13 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.576 0.208 19604 8513 1 13 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.767 -0.445 19604 8514 1 13 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.531 -0.253 19604 8515 1 13 . 1 1 44 44 THR N N 44 112.452 112.452 112.026 0.426 19604 8516 1 13 . 1 1 44 44 THR HA H 44 4.461 4.461 4.424 0.037 19604 8517 1 13 . 1 1 44 44 THR CA C 44 60.411 60.411 60.414 -0.003 19604 8518 1 13 . 1 1 44 44 THR CB C 44 71.068 71.068 70.662 0.406 19604 8519 1 13 . 1 1 44 44 THR H H 44 8.678 8.678 8.171 0.507 19604 8520 1 13 . 1 1 45 45 GLU N N 45 120.954 120.954 121.930 -0.976 19604 8521 1 13 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.922 0.088 19604 8522 1 13 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.295 -0.412 19604 8523 1 13 . 1 1 45 45 GLU H H 45 8.803 8.803 8.950 -0.147 19604 8524 1 13 . 1 1 46 46 ALA N N 46 120.643 120.643 121.084 -0.441 19604 8525 1 13 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.212 -0.095 19604 8526 1 13 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.593 0.420 19604 8527 1 13 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.217 -0.044 19604 8528 1 13 . 1 1 46 46 ALA H H 46 8.272 8.272 8.169 0.103 19604 8529 1 13 . 1 1 47 47 GLU N N 47 119.059 119.059 120.095 -1.036 19604 8530 1 13 . 1 1 47 47 GLU HA H 47 4.035 4.035 3.997 0.038 19604 8531 1 13 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.210 -0.047 19604 8532 1 13 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.561 0.365 19604 8533 1 13 . 1 1 47 47 GLU H H 47 7.686 7.686 7.539 0.147 19604 8534 1 13 . 1 1 48 48 LEU N N 48 119.848 119.848 118.908 0.940 19604 8535 1 13 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.982 0.043 19604 8536 1 13 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.095 -0.254 19604 8537 1 13 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.914 0.516 19604 8538 1 13 . 1 1 48 48 LEU H H 48 8.036 8.036 8.368 -0.332 19604 8539 1 13 . 1 1 49 49 GLN N N 49 118.226 118.226 118.129 0.097 19604 8540 1 13 . 1 1 49 49 GLN HA H 49 3.803 3.803 4.003 -0.200 19604 8541 1 13 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.288 0.273 19604 8542 1 13 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.952 0.290 19604 8543 1 13 . 1 1 49 49 GLN H H 49 8.323 8.323 7.748 0.575 19604 8544 1 13 . 1 1 50 50 ASP N N 50 119.928 119.928 121.723 -1.795 19604 8545 1 13 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.293 0.105 19604 8546 1 13 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.823 -0.214 19604 8547 1 13 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.914 -0.281 19604 8548 1 13 . 1 1 50 50 ASP H H 50 8.147 8.147 8.168 -0.021 19604 8549 1 13 . 1 1 51 51 MET N N 51 117.796 117.796 116.451 1.345 19604 8550 1 13 . 1 1 51 51 MET HA H 51 4.050 4.050 4.215 -0.165 19604 8551 1 13 . 1 1 51 51 MET CA C 51 59.555 59.555 59.042 0.513 19604 8552 1 13 . 1 1 51 51 MET CB C 51 32.846 32.846 32.532 0.313 19604 8553 1 13 . 1 1 51 51 MET H H 51 7.814 7.814 7.603 0.211 19604 8554 1 13 . 1 1 52 52 ILE N N 52 118.474 118.474 119.621 -1.147 19604 8555 1 13 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.645 -0.046 19604 8556 1 13 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.605 -0.499 19604 8557 1 13 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.710 -0.651 19604 8558 1 13 . 1 1 52 52 ILE H H 52 7.685 7.685 7.390 0.295 19604 8559 1 13 . 1 1 53 53 ASN N N 53 118.591 118.591 116.041 2.550 19604 8560 1 13 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.563 -0.146 19604 8561 1 13 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.084 0.821 19604 8562 1 13 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.572 -0.581 19604 8563 1 13 . 1 1 53 53 ASN H H 53 8.786 8.786 8.414 0.372 19604 8564 1 13 . 1 1 54 54 GLU N N 54 115.327 115.327 119.219 -3.892 19604 8565 1 13 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.205 -0.157 19604 8566 1 13 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.124 0.953 19604 8567 1 13 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.674 1.251 19604 8568 1 13 . 1 1 54 54 GLU H H 54 7.368 7.368 7.643 -0.275 19604 8569 1 13 . 1 1 55 55 VAL N N 55 111.285 111.285 110.368 0.917 19604 8570 1 13 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.254 -0.027 19604 8571 1 13 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.862 -0.030 19604 8572 1 13 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.253 1.063 19604 8573 1 13 . 1 1 55 55 VAL H H 55 7.133 7.133 7.277 -0.144 19604 8574 1 13 . 1 1 56 56 ASP N N 56 121.291 121.291 121.856 -0.565 19604 8575 1 13 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.883 -0.415 19604 8576 1 13 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.764 -0.064 19604 8577 1 13 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.517 0.067 19604 8578 1 13 . 1 1 56 56 ASP H H 56 7.567 7.567 7.428 0.139 19604 8579 1 13 . 1 1 57 57 ALA N N 57 131.432 131.432 130.292 1.140 19604 8580 1 13 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.191 0.038 19604 8581 1 13 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.722 0.633 19604 8582 1 13 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.909 -0.214 19604 8583 1 13 . 1 1 57 57 ALA H H 57 8.064 8.064 7.984 0.080 19604 8584 1 13 . 1 1 58 58 ASP N N 58 114.063 114.063 116.382 -2.319 19604 8585 1 13 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.616 0.021 19604 8586 1 13 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.536 -0.768 19604 8587 1 13 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.980 -1.132 19604 8588 1 13 . 1 1 58 58 ASP H H 58 8.211 8.211 8.581 -0.370 19604 8589 1 13 . 1 1 59 59 GLY N N 59 108.646 108.646 109.577 -0.931 19604 8590 1 13 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.979 1.221 19604 8591 1 13 . 1 1 59 59 GLY H H 59 7.584 7.584 7.984 -0.400 19604 8592 1 13 . 1 1 60 60 ASN N N 60 118.886 118.886 119.210 -0.324 19604 8593 1 13 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.727 -0.107 19604 8594 1 13 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.380 0.297 19604 8595 1 13 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.843 -2.264 19604 8596 1 13 . 1 1 60 60 ASN H H 60 8.162 8.162 8.497 -0.335 19604 8597 1 13 . 1 1 61 61 GLY N N 61 113.458 113.458 110.110 3.348 19604 8598 1 13 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.410 0.229 19604 8599 1 13 . 1 1 61 61 GLY H H 61 10.568 10.568 9.174 1.394 19604 8600 1 13 . 1 1 62 62 THR N N 62 108.490 108.490 110.152 -1.662 19604 8601 1 13 . 1 1 62 62 THR HA H 62 4.800 4.800 4.676 0.124 19604 8602 1 13 . 1 1 62 62 THR CA C 62 59.327 59.327 60.296 -0.969 19604 8603 1 13 . 1 1 62 62 THR CB C 62 72.409 72.409 72.373 0.036 19604 8604 1 13 . 1 1 62 62 THR H H 62 7.643 7.643 8.281 -0.638 19604 8605 1 13 . 1 1 63 63 ILE N N 63 123.350 123.350 122.767 0.583 19604 8606 1 13 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.729 0.485 19604 8607 1 13 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.413 -1.362 19604 8608 1 13 . 1 1 63 63 ILE CB C 63 39.605 39.605 39.042 0.563 19604 8609 1 13 . 1 1 63 63 ILE H H 63 8.544 8.544 8.572 -0.028 19604 8610 1 13 . 1 1 64 64 ASP N N 64 128.480 128.480 128.321 0.159 19604 8611 1 13 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.065 0.442 19604 8612 1 13 . 1 1 64 64 ASP CA C 64 51.985 51.985 54.043 -2.058 19604 8613 1 13 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.734 0.469 19604 8614 1 13 . 1 1 64 64 ASP H H 64 8.902 8.902 8.047 0.855 19604 8615 1 13 . 1 1 65 65 PHE N N 65 118.622 118.622 120.758 -2.136 19604 8616 1 13 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.237 0.742 19604 8617 1 13 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.567 1.518 19604 8618 1 13 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.372 -0.470 19604 8619 1 13 . 1 1 65 65 PHE H H 65 8.967 8.967 8.254 0.713 19604 8620 1 13 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.633 0.255 19604 8621 1 13 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.914 1.936 19604 8622 1 13 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.679 0.121 19604 8623 1 13 . 1 1 67 67 GLU N N 67 118.243 118.243 118.630 -0.387 19604 8624 1 13 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.952 0.013 19604 8625 1 13 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.820 -0.775 19604 8626 1 13 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.972 0.902 19604 8627 1 13 . 1 1 67 67 GLU H H 67 8.420 8.420 8.308 0.112 19604 8628 1 13 . 1 1 68 68 PHE N N 68 124.020 124.020 119.557 4.463 19604 8629 1 13 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.310 -0.525 19604 8630 1 13 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.896 0.591 19604 8631 1 13 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.583 1.199 19604 8632 1 13 . 1 1 68 68 PHE H H 68 8.638 8.638 7.615 1.023 19604 8633 1 13 . 1 1 69 69 LEU N N 69 120.062 120.062 120.337 -0.275 19604 8634 1 13 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.823 -0.455 19604 8635 1 13 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.522 0.332 19604 8636 1 13 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.517 -0.132 19604 8637 1 13 . 1 1 69 69 LEU H H 69 8.972 8.972 7.368 1.604 19604 8638 1 13 . 1 1 70 70 THR N N 70 115.488 115.488 114.128 1.360 19604 8639 1 13 . 1 1 70 70 THR HA H 70 3.697 3.697 3.718 -0.021 19604 8640 1 13 . 1 1 70 70 THR CA C 70 66.558 66.558 66.051 0.507 19604 8641 1 13 . 1 1 70 70 THR CB C 70 68.396 68.396 68.533 -0.137 19604 8642 1 13 . 1 1 70 70 THR H H 70 7.855 7.855 8.166 -0.311 19604 8643 1 13 . 1 1 71 71 MET N N 71 119.627 119.627 120.573 -0.946 19604 8644 1 13 . 1 1 71 71 MET HA H 71 3.757 3.757 3.911 -0.154 19604 8645 1 13 . 1 1 71 71 MET CA C 71 58.334 58.334 59.326 -0.992 19604 8646 1 13 . 1 1 71 71 MET CB C 71 30.736 30.736 32.201 -1.465 19604 8647 1 13 . 1 1 71 71 MET H H 71 7.155 7.155 7.299 -0.144 19604 8648 1 13 . 1 1 72 72 MET N N 72 116.046 116.046 116.832 -0.786 19604 8649 1 13 . 1 1 72 72 MET HA H 72 3.977 3.977 3.897 0.080 19604 8650 1 13 . 1 1 72 72 MET CA C 72 55.138 55.138 58.271 -3.133 19604 8651 1 13 . 1 1 72 72 MET CB C 72 29.103 29.103 31.867 -2.764 19604 8652 1 13 . 1 1 72 72 MET H H 72 7.646 7.646 7.386 0.260 19604 8653 1 13 . 1 1 73 73 ALA N N 73 120.685 120.685 120.505 0.180 19604 8654 1 13 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.119 0.063 19604 8655 1 13 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.382 -1.282 19604 8656 1 13 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.393 0.898 19604 8657 1 13 . 1 1 73 73 ALA H H 73 8.080 8.080 7.508 0.572 19604 8658 1 13 . 1 1 74 74 ARG N N 74 118.501 118.501 119.525 -1.024 19604 8659 1 13 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.019 0.169 19604 8660 1 13 . 1 1 74 74 ARG CA C 74 56.977 56.977 57.778 -0.801 19604 8661 1 13 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.374 1.143 19604 8662 1 13 . 1 1 74 74 ARG H H 74 7.367 7.367 8.150 -0.783 19604 8663 1 13 . 1 1 76 76 MET HA H 76 4.413 4.413 4.164 0.249 19604 8664 1 13 . 1 1 76 76 MET CA C 76 55.804 55.804 57.029 -1.225 19604 8665 1 13 . 1 1 76 76 MET CB C 76 33.291 33.291 32.552 0.739 19604 8666 1 13 . 1 1 77 77 LYS N N 77 121.563 121.563 118.806 2.757 19604 8667 1 13 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.197 0.124 19604 8668 1 13 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.648 -0.230 19604 8669 1 13 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.214 0.037 19604 8670 1 13 . 1 1 77 77 LYS H H 77 8.253 8.253 7.652 0.601 19604 8671 1 13 . 1 1 78 78 ASP N N 78 121.953 121.953 118.114 3.839 19604 8672 1 13 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.528 0.090 19604 8673 1 13 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.630 -0.775 19604 8674 1 13 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.775 0.341 19604 8675 1 13 . 1 1 78 78 ASP H H 78 8.362 8.362 8.480 -0.118 19604 8676 1 13 . 1 1 79 79 THR N N 79 113.276 113.276 116.078 -2.802 19604 8677 1 13 . 1 1 79 79 THR HA H 79 4.305 4.305 4.415 -0.110 19604 8678 1 13 . 1 1 79 79 THR CA C 79 62.124 62.124 61.858 0.266 19604 8679 1 13 . 1 1 79 79 THR CB C 79 69.634 69.634 69.797 -0.163 19604 8680 1 13 . 1 1 79 79 THR H H 79 8.014 8.014 7.954 0.060 19604 8681 1 13 . 1 1 80 80 ASP N N 80 122.850 122.850 123.144 -0.294 19604 8682 1 13 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.397 0.278 19604 8683 1 13 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.887 -1.232 19604 8684 1 13 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.943 0.481 19604 8685 1 13 . 1 1 80 80 ASP H H 80 8.316 8.316 8.117 0.199 19604 8686 1 13 . 1 1 81 81 SER N N 81 116.864 116.864 115.084 1.780 19604 8687 1 13 . 1 1 81 81 SER HA H 81 4.429 4.429 4.142 0.287 19604 8688 1 13 . 1 1 81 81 SER CA C 81 59.337 59.337 61.414 -2.077 19604 8689 1 13 . 1 1 81 81 SER CB C 81 63.672 63.672 62.994 0.678 19604 8690 1 13 . 1 1 81 81 SER H H 81 8.391 8.391 8.539 -0.148 19604 8691 1 13 . 1 1 82 82 GLU N N 82 122.561 122.561 120.562 1.999 19604 8692 1 13 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.197 -0.124 19604 8693 1 13 . 1 1 82 82 GLU CA C 82 59.179 59.179 58.825 0.354 19604 8694 1 13 . 1 1 82 82 GLU CB C 82 29.512 29.512 30.186 -0.674 19604 8695 1 13 . 1 1 82 82 GLU H H 82 8.479 8.479 7.513 0.966 19604 8696 1 13 . 1 1 83 83 GLU N N 83 119.348 119.348 121.541 -2.193 19604 8697 1 13 . 1 1 83 83 GLU HA H 83 4.044 4.044 3.978 0.066 19604 8698 1 13 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.257 0.390 19604 8699 1 13 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.172 0.360 19604 8700 1 13 . 1 1 83 83 GLU H H 83 8.279 8.279 7.964 0.315 19604 8701 1 13 . 1 1 84 84 GLU N N 84 118.810 118.810 118.874 -0.064 19604 8702 1 13 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.109 0.004 19604 8703 1 13 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.115 0.362 19604 8704 1 13 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.567 0.103 19604 8705 1 13 . 1 1 84 84 GLU H H 84 8.062 8.062 8.414 -0.352 19604 8706 1 13 . 1 1 85 85 ILE N N 85 122.019 122.019 119.610 2.409 19604 8707 1 13 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.974 -0.056 19604 8708 1 13 . 1 1 85 85 ILE CA C 85 65.327 65.327 64.667 0.660 19604 8709 1 13 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.975 -0.547 19604 8710 1 13 . 1 1 85 85 ILE H H 85 8.008 8.008 7.919 0.089 19604 8711 1 13 . 1 1 86 86 ARG N N 86 121.851 121.851 120.592 1.259 19604 8712 1 13 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.154 0.012 19604 8713 1 13 . 1 1 86 86 ARG CA C 86 60.026 60.026 60.213 -0.187 19604 8714 1 13 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.241 -0.274 19604 8715 1 13 . 1 1 86 86 ARG H H 86 8.446 8.446 7.806 0.640 19604 8716 1 13 . 1 1 87 87 GLU N N 87 118.621 118.621 119.359 -0.738 19604 8717 1 13 . 1 1 87 87 GLU HA H 87 4.110 4.110 3.964 0.146 19604 8718 1 13 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.495 -0.388 19604 8719 1 13 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.207 0.219 19604 8720 1 13 . 1 1 87 87 GLU H H 87 8.149 8.149 8.614 -0.465 19604 8721 1 13 . 1 1 88 88 ALA N N 88 121.741 121.741 121.666 0.075 19604 8722 1 13 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.690 0.335 19604 8723 1 13 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.868 0.118 19604 8724 1 13 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.126 -0.402 19604 8725 1 13 . 1 1 88 88 ALA H H 88 7.880 7.880 7.602 0.278 19604 8726 1 13 . 1 1 89 89 PHE N N 89 118.057 118.057 119.659 -1.602 19604 8727 1 13 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.636 -0.487 19604 8728 1 13 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.085 1.281 19604 8729 1 13 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.662 0.675 19604 8730 1 13 . 1 1 89 89 PHE H H 89 8.463 8.463 7.929 0.534 19604 8731 1 13 . 1 1 90 90 ARG N N 90 115.723 115.723 118.954 -3.231 19604 8732 1 13 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.774 0.118 19604 8733 1 13 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.186 -0.298 19604 8734 1 13 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.123 0.283 19604 8735 1 13 . 1 1 90 90 ARG H H 90 7.775 7.775 7.777 -0.002 19604 8736 1 13 . 1 1 91 91 VAL N N 91 118.161 118.161 117.877 0.284 19604 8737 1 13 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.639 -0.115 19604 8738 1 13 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.343 0.253 19604 8739 1 13 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.399 0.145 19604 8740 1 13 . 1 1 91 91 VAL H H 91 7.484 7.484 7.939 -0.456 19604 8741 1 13 . 1 1 92 92 PHE N N 92 117.398 117.398 114.450 2.948 19604 8742 1 13 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.296 -0.018 19604 8743 1 13 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.479 1.202 19604 8744 1 13 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.572 1.282 19604 8745 1 13 . 1 1 92 92 PHE H H 92 7.544 7.544 7.239 0.305 19604 8746 1 13 . 1 1 93 93 ASP N N 93 117.503 117.503 119.634 -2.131 19604 8747 1 13 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.301 0.240 19604 8748 1 13 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.292 -2.110 19604 8749 1 13 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.971 -1.544 19604 8750 1 13 . 1 1 93 93 ASP H H 93 7.963 7.963 7.613 0.350 19604 8751 1 13 . 1 1 94 94 LYS N N 94 125.976 125.976 124.394 1.582 19604 8752 1 13 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.026 -0.120 19604 8753 1 13 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.754 1.308 19604 8754 1 13 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.720 0.313 19604 8755 1 13 . 1 1 94 94 LYS H H 94 7.585 7.585 8.173 -0.588 19604 8756 1 13 . 1 1 95 95 ASP N N 95 114.100 114.100 114.921 -0.821 19604 8757 1 13 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.489 0.065 19604 8758 1 13 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.587 -0.521 19604 8759 1 13 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.486 -0.737 19604 8760 1 13 . 1 1 95 95 ASP H H 95 8.186 8.186 7.894 0.292 19604 8761 1 13 . 1 1 96 96 GLY N N 96 109.383 109.383 108.126 1.257 19604 8762 1 13 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.096 1.052 19604 8763 1 13 . 1 1 96 96 GLY H H 96 7.809 7.809 7.717 0.092 19604 8764 1 13 . 1 1 97 97 ASN N N 97 119.744 119.744 119.398 0.346 19604 8765 1 13 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.624 0.022 19604 8766 1 13 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.820 -0.165 19604 8767 1 13 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.956 -0.767 19604 8768 1 13 . 1 1 97 97 ASN H H 97 8.336 8.336 8.484 -0.148 19604 8769 1 13 . 1 1 98 98 GLY N N 98 112.937 112.937 107.358 5.579 19604 8770 1 13 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.361 -0.329 19604 8771 1 13 . 1 1 98 98 GLY H H 98 10.653 10.653 8.558 2.095 19604 8772 1 13 . 1 1 99 99 TYR N N 99 115.956 115.956 118.259 -2.303 19604 8773 1 13 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.016 0.045 19604 8774 1 13 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.711 -1.522 19604 8775 1 13 . 1 1 99 99 TYR CB C 99 43.044 43.044 41.846 1.198 19604 8776 1 13 . 1 1 99 99 TYR H H 99 7.630 7.630 8.405 -0.775 19604 8777 1 13 . 1 1 100 100 ILE N N 100 127.360 127.360 125.080 2.280 19604 8778 1 13 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.691 0.093 19604 8779 1 13 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.326 0.693 19604 8780 1 13 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.311 -1.326 19604 8781 1 13 . 1 1 100 100 ILE H H 100 10.174 10.174 9.153 1.021 19604 8782 1 13 . 1 1 101 101 SER N N 101 124.117 124.117 121.905 2.212 19604 8783 1 13 . 1 1 101 101 SER HA H 101 4.885 4.885 4.986 -0.101 19604 8784 1 13 . 1 1 101 101 SER CA C 101 55.722 55.722 55.985 -0.263 19604 8785 1 13 . 1 1 101 101 SER CB C 101 66.631 66.631 66.505 0.126 19604 8786 1 13 . 1 1 101 101 SER H H 101 8.977 8.977 8.149 0.828 19604 8787 1 13 . 1 1 102 102 ALA N N 102 123.057 123.057 123.267 -0.210 19604 8788 1 13 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.141 -0.217 19604 8789 1 13 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.301 0.653 19604 8790 1 13 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.426 -0.535 19604 8791 1 13 . 1 1 102 102 ALA H H 102 9.261 9.261 8.958 0.303 19604 8792 1 13 . 1 1 103 103 ALA N N 103 118.685 118.685 120.452 -1.767 19604 8793 1 13 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.125 -0.101 19604 8794 1 13 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.514 0.705 19604 8795 1 13 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.564 -0.249 19604 8796 1 13 . 1 1 103 103 ALA H H 103 8.271 8.271 8.141 0.130 19604 8797 1 13 . 1 1 104 104 GLU N N 104 119.737 119.737 119.136 0.601 19604 8798 1 13 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.080 -0.043 19604 8799 1 13 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.772 0.478 19604 8800 1 13 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.816 -0.600 19604 8801 1 13 . 1 1 104 104 GLU H H 104 7.857 7.857 7.577 0.280 19604 8802 1 13 . 1 1 105 105 LEU N N 105 122.037 122.037 120.819 1.218 19604 8803 1 13 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.924 0.112 19604 8804 1 13 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.902 0.150 19604 8805 1 13 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.879 0.235 19604 8806 1 13 . 1 1 105 105 LEU H H 105 8.685 8.685 8.341 0.344 19604 8807 1 13 . 1 1 106 106 ARG N N 106 118.484 118.484 117.804 0.680 19604 8808 1 13 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.821 -0.113 19604 8809 1 13 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.847 0.183 19604 8810 1 13 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.979 0.338 19604 8811 1 13 . 1 1 106 106 ARG H H 106 8.682 8.682 7.671 1.011 19604 8812 1 13 . 1 1 107 107 HIS N N 107 118.917 118.917 117.614 1.303 19604 8813 1 13 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.313 -0.017 19604 8814 1 13 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.460 0.382 19604 8815 1 13 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.543 1.033 19604 8816 1 13 . 1 1 107 107 HIS H H 107 7.803 7.803 7.685 0.118 19604 8817 1 13 . 1 1 108 108 VAL N N 108 119.662 119.662 119.559 0.103 19604 8818 1 13 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.715 -0.257 19604 8819 1 13 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.872 0.580 19604 8820 1 13 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.708 -0.115 19604 8821 1 13 . 1 1 108 108 VAL H H 108 7.887 7.887 7.829 0.058 19604 8822 1 13 . 1 1 109 109 MET N N 109 115.981 115.981 118.048 -2.067 19604 8823 1 13 . 1 1 109 109 MET HA H 109 4.296 4.296 4.106 0.190 19604 8824 1 13 . 1 1 109 109 MET CA C 109 57.062 57.062 57.823 -0.761 19604 8825 1 13 . 1 1 109 109 MET H H 109 8.128 8.128 7.762 0.366 19604 8826 1 13 . 1 1 110 110 THR N N 110 116.866 116.866 114.546 2.320 19604 8827 1 13 . 1 1 110 110 THR HA H 110 4.080 4.080 3.924 0.156 19604 8828 1 13 . 1 1 110 110 THR CA C 110 66.402 66.402 65.827 0.575 19604 8829 1 13 . 1 1 110 110 THR CB C 110 68.574 68.574 68.396 0.178 19604 8830 1 13 . 1 1 110 110 THR H H 110 8.302 8.302 7.789 0.513 19604 8831 1 13 . 1 1 111 111 ASN N N 111 122.811 122.811 118.823 3.988 19604 8832 1 13 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.581 -0.136 19604 8833 1 13 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.058 0.753 19604 8834 1 13 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.236 -0.261 19604 8835 1 13 . 1 1 111 111 ASN H H 111 7.849 7.849 7.674 0.175 19604 8836 1 13 . 1 1 112 112 LEU N N 112 118.869 118.869 118.753 0.116 19604 8837 1 13 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.351 -0.006 19604 8838 1 13 . 1 1 112 112 LEU CA C 112 55.091 55.091 56.042 -0.952 19604 8839 1 13 . 1 1 112 112 LEU CB C 112 42.080 42.080 41.965 0.115 19604 8840 1 13 . 1 1 112 112 LEU H H 112 7.666 7.666 7.588 0.078 19604 8841 1 13 . 1 1 113 113 GLY N N 113 107.124 107.124 106.028 1.096 19604 8842 1 13 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.522 0.894 19604 8843 1 13 . 1 1 113 113 GLY H H 113 7.818 7.818 7.461 0.357 19604 8844 1 13 . 1 1 114 114 GLU N N 114 120.113 120.113 121.205 -1.092 19604 8845 1 13 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.567 -0.140 19604 8846 1 13 . 1 1 114 114 GLU CA C 114 54.596 54.596 55.028 -0.432 19604 8847 1 13 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.541 -0.831 19604 8848 1 13 . 1 1 114 114 GLU H H 114 7.895 7.895 7.795 0.100 19604 8849 1 13 . 1 1 115 115 LYS N N 115 124.920 124.920 123.539 1.381 19604 8850 1 13 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.318 0.062 19604 8851 1 13 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.791 -1.398 19604 8852 1 13 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.416 -0.371 19604 8853 1 13 . 1 1 115 115 LYS H H 115 8.583 8.583 8.558 0.025 19604 8854 1 13 . 1 1 116 116 LEU N N 116 124.979 124.979 124.639 0.340 19604 8855 1 13 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.648 0.119 19604 8856 1 13 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.161 0.920 19604 8857 1 13 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.691 -1.159 19604 8858 1 13 . 1 1 116 116 LEU H H 116 8.082 8.082 8.280 -0.198 19604 8859 1 13 . 1 1 117 117 THR N N 117 114.448 114.448 110.659 3.789 19604 8860 1 13 . 1 1 117 117 THR HA H 117 4.452 4.452 4.583 -0.131 19604 8861 1 13 . 1 1 117 117 THR CA C 117 60.690 60.690 59.919 0.771 19604 8862 1 13 . 1 1 117 117 THR CB C 117 71.051 71.051 71.630 -0.579 19604 8863 1 13 . 1 1 117 117 THR H H 117 9.172 9.172 8.130 1.042 19604 8864 1 13 . 1 1 118 118 ASP N N 118 121.175 121.175 121.296 -0.121 19604 8865 1 13 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.278 -0.065 19604 8866 1 13 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.567 -0.575 19604 8867 1 13 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.658 -0.988 19604 8868 1 13 . 1 1 118 118 ASP H H 118 8.889 8.889 8.780 0.109 19604 8869 1 13 . 1 1 119 119 GLU N N 119 119.386 119.386 119.206 0.180 19604 8870 1 13 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.032 0.056 19604 8871 1 13 . 1 1 119 119 GLU CA C 119 60.013 60.013 59.019 0.994 19604 8872 1 13 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.554 -0.382 19604 8873 1 13 . 1 1 119 119 GLU H H 119 8.665 8.665 8.470 0.195 19604 8874 1 13 . 1 1 120 120 GLU N N 120 120.564 120.564 119.817 0.747 19604 8875 1 13 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.094 -0.112 19604 8876 1 13 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.076 0.176 19604 8877 1 13 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.494 1.266 19604 8878 1 13 . 1 1 120 120 GLU H H 120 7.715 7.715 7.422 0.293 19604 8879 1 13 . 1 1 121 121 VAL N N 121 120.955 120.955 120.097 0.858 19604 8880 1 13 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.622 -0.166 19604 8881 1 13 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.718 1.163 19604 8882 1 13 . 1 1 121 121 VAL CB C 121 31.330 31.330 30.869 0.461 19604 8883 1 13 . 1 1 121 121 VAL H H 121 8.050 8.050 8.223 -0.173 19604 8884 1 13 . 1 1 122 122 ASP N N 122 120.016 120.016 119.753 0.263 19604 8885 1 13 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.223 0.140 19604 8886 1 13 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.105 -0.391 19604 8887 1 13 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.722 -0.269 19604 8888 1 13 . 1 1 122 122 ASP H H 122 7.980 7.980 7.752 0.228 19604 8889 1 13 . 1 1 123 123 GLU N N 123 119.913 119.913 119.335 0.578 19604 8890 1 13 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.069 -0.024 19604 8891 1 13 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.780 0.525 19604 8892 1 13 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.355 -0.076 19604 8893 1 13 . 1 1 123 123 GLU H H 123 8.033 8.033 7.872 0.161 19604 8894 1 13 . 1 1 124 124 MET N N 124 119.642 119.642 118.529 1.113 19604 8895 1 13 . 1 1 124 124 MET HA H 124 4.175 4.175 4.107 0.068 19604 8896 1 13 . 1 1 124 124 MET CA C 124 60.420 60.420 59.562 0.858 19604 8897 1 13 . 1 1 124 124 MET CB C 124 33.408 33.408 32.947 0.461 19604 8898 1 13 . 1 1 124 124 MET H H 124 7.930 7.930 7.754 0.176 19604 8899 1 13 . 1 1 125 125 ILE N N 125 119.663 119.663 119.466 0.197 19604 8900 1 13 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.735 -0.026 19604 8901 1 13 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.081 0.258 19604 8902 1 13 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.544 -0.209 19604 8903 1 13 . 1 1 125 125 ILE H H 125 8.147 8.147 8.005 0.142 19604 8904 1 13 . 1 1 126 126 ARG N N 126 118.998 118.998 118.892 0.106 19604 8905 1 13 . 1 1 126 126 ARG HA H 126 4.072 4.072 4.033 0.039 19604 8906 1 13 . 1 1 126 126 ARG CA C 126 59.828 59.828 58.724 1.105 19604 8907 1 13 . 1 1 126 126 ARG CB C 126 30.331 30.331 29.995 0.336 19604 8908 1 13 . 1 1 126 126 ARG H H 126 8.431 8.431 8.449 -0.018 19604 8909 1 13 . 1 1 127 127 GLU N N 127 116.058 116.058 118.151 -2.093 19604 8910 1 13 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.145 -0.161 19604 8911 1 13 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.774 0.031 19604 8912 1 13 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.747 0.059 19604 8913 1 13 . 1 1 127 127 GLU H H 127 7.899 7.899 7.714 0.185 19604 8914 1 13 . 1 1 128 128 ALA N N 128 117.702 117.702 119.409 -1.707 19604 8915 1 13 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.154 0.299 19604 8916 1 13 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.407 -1.687 19604 8917 1 13 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.345 3.041 19604 8918 1 13 . 1 1 128 128 ALA H H 128 7.222 7.222 7.500 -0.278 19604 8919 1 13 . 1 1 129 129 ASP N N 129 117.996 117.996 119.151 -1.155 19604 8920 1 13 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.869 -0.372 19604 8921 1 13 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.006 0.330 19604 8922 1 13 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.774 0.908 19604 8923 1 13 . 1 1 129 129 ASP H H 129 7.947 7.947 8.041 -0.094 19604 8924 1 13 . 1 1 130 130 ILE N N 130 128.199 128.199 124.068 4.131 19604 8925 1 13 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.869 0.039 19604 8926 1 13 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.427 0.006 19604 8927 1 13 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.554 0.184 19604 8928 1 13 . 1 1 130 130 ILE H H 130 8.399 8.399 7.599 0.800 19604 8929 1 13 . 1 1 131 131 ASP N N 131 116.628 116.628 117.684 -1.056 19604 8930 1 13 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.494 0.019 19604 8931 1 13 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.849 -0.021 19604 8932 1 13 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.337 -0.349 19604 8933 1 13 . 1 1 131 131 ASP H H 131 8.258 8.258 8.373 -0.115 19604 8934 1 13 . 1 1 132 132 GLY N N 132 108.616 108.616 109.088 -0.472 19604 8935 1 13 . 1 1 132 132 GLY CA C 132 47.527 47.527 45.868 1.659 19604 8936 1 13 . 1 1 132 132 GLY H H 132 7.559 7.559 7.709 -0.150 19604 8937 1 13 . 1 1 133 133 ASP N N 133 120.901 120.901 118.785 2.116 19604 8938 1 13 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.542 -0.064 19604 8939 1 13 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.858 -0.206 19604 8940 1 13 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.757 -1.486 19604 8941 1 13 . 1 1 133 133 ASP H H 133 8.340 8.340 8.758 -0.418 19604 8942 1 13 . 1 1 134 134 GLY N N 134 112.918 112.918 108.964 3.954 19604 8943 1 13 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.975 0.893 19604 8944 1 13 . 1 1 134 134 GLY H H 134 10.366 10.366 8.852 1.514 19604 8945 1 13 . 1 1 135 135 GLN N N 135 115.297 115.297 117.731 -2.434 19604 8946 1 13 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.648 0.269 19604 8947 1 13 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.979 -1.752 19604 8948 1 13 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.380 -1.038 19604 8949 1 13 . 1 1 135 135 GLN H H 135 8.012 8.012 8.591 -0.579 19604 8950 1 13 . 1 1 136 136 VAL N N 136 125.463 125.463 121.427 4.036 19604 8951 1 13 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.098 0.120 19604 8952 1 13 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.239 1.424 19604 8953 1 13 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.466 1.292 19604 8954 1 13 . 1 1 136 136 VAL H H 136 9.133 9.133 8.737 0.396 19604 8955 1 13 . 1 1 137 137 ASN N N 137 129.402 129.402 126.289 3.113 19604 8956 1 13 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.490 0.809 19604 8957 1 13 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.745 0.281 19604 8958 1 13 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.849 -1.564 19604 8959 1 13 . 1 1 137 137 ASN H H 137 9.634 9.634 8.349 1.285 19604 8960 1 13 . 1 1 138 138 TYR N N 138 118.585 118.585 121.818 -3.233 19604 8961 1 13 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.086 0.256 19604 8962 1 13 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.020 0.497 19604 8963 1 13 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.100 -0.404 19604 8964 1 13 . 1 1 138 138 TYR H H 138 8.400 8.400 8.269 0.131 19604 8965 1 13 . 1 1 139 139 GLU N N 139 118.692 118.692 118.943 -0.251 19604 8966 1 13 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.634 -0.016 19604 8967 1 13 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.871 0.443 19604 8968 1 13 . 1 1 139 139 GLU CB C 139 29.000 29.000 28.993 0.007 19604 8969 1 13 . 1 1 139 139 GLU H H 139 8.095 8.095 8.611 -0.516 19604 8970 1 13 . 1 1 140 140 GLU N N 140 119.980 119.980 119.494 0.486 19604 8971 1 13 . 1 1 140 140 GLU HA H 140 3.905 3.905 3.979 -0.074 19604 8972 1 13 . 1 1 140 140 GLU CA C 140 58.532 58.532 59.003 -0.471 19604 8973 1 13 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.619 0.088 19604 8974 1 13 . 1 1 140 140 GLU H H 140 8.759 8.759 8.481 0.278 19604 8975 1 13 . 1 1 141 141 PHE N N 141 123.408 123.408 121.419 1.989 19604 8976 1 13 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.094 -0.363 19604 8977 1 13 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.857 0.126 19604 8978 1 13 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.157 1.016 19604 8979 1 13 . 1 1 141 141 PHE H H 141 8.639 8.639 8.705 -0.066 19604 8980 1 13 . 1 1 142 142 VAL N N 142 119.839 119.839 118.402 1.437 19604 8981 1 13 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.392 -0.348 19604 8982 1 13 . 1 1 142 142 VAL CA C 142 67.118 67.118 65.945 1.173 19604 8983 1 13 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.538 0.977 19604 8984 1 13 . 1 1 142 142 VAL H H 142 8.781 8.781 8.353 0.428 19604 8985 1 13 . 1 1 143 143 GLN N N 143 118.240 118.240 119.275 -1.035 19604 8986 1 13 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.923 -0.121 19604 8987 1 13 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.662 0.155 19604 8988 1 13 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.567 -0.392 19604 8989 1 13 . 1 1 143 143 GLN H H 143 7.491 7.491 7.553 -0.062 19604 8990 1 13 . 1 1 144 144 MET N N 144 116.028 116.028 118.749 -2.721 19604 8991 1 13 . 1 1 144 144 MET HA H 144 4.145 4.145 4.136 0.009 19604 8992 1 13 . 1 1 144 144 MET CA C 144 55.939 55.939 57.362 -1.423 19604 8993 1 13 . 1 1 144 144 MET CB C 144 31.345 31.345 32.375 -1.030 19604 8994 1 13 . 1 1 144 144 MET H H 144 7.176 7.176 8.269 -1.093 19604 8995 1 13 . 1 1 145 145 MET N N 145 116.272 116.272 114.577 1.695 19604 8996 1 13 . 1 1 145 145 MET HA H 145 4.301 4.301 4.281 0.020 19604 8997 1 13 . 1 1 145 145 MET CA C 145 55.416 55.416 56.419 -1.002 19604 8998 1 13 . 1 1 145 145 MET CB C 145 32.831 32.831 32.564 0.267 19604 8999 1 13 . 1 1 145 145 MET H H 145 7.831 7.831 7.794 0.037 19604 9000 1 13 . 1 1 146 146 THR N N 146 110.389 110.389 115.257 -4.868 19604 9001 1 13 . 1 1 146 146 THR HA H 146 4.308 4.308 4.284 0.024 19604 9002 1 13 . 1 1 146 146 THR CA C 146 61.942 61.942 63.399 -1.457 19604 9003 1 13 . 1 1 146 146 THR CB C 146 70.244 70.244 69.330 0.914 19604 9004 1 13 . 1 1 146 146 THR H H 146 7.474 7.474 7.352 0.122 19604 9005 1 13 . 1 1 147 147 ALA N N 147 126.864 126.864 125.255 1.609 19604 9006 1 13 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.084 0.124 19604 9007 1 13 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.014 -0.015 19604 9008 1 13 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.547 -0.431 19604 9009 1 13 . 1 1 147 147 ALA H H 147 7.622 7.622 7.937 -0.315 19604 9010 1 14 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.727 -0.087 19604 9011 1 14 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.372 0.241 19604 9012 1 14 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.136 0.215 19604 9013 1 14 . 1 1 3 3 GLN N N 3 120.300 120.300 119.791 0.509 19604 9014 1 14 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.540 -0.167 19604 9015 1 14 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.507 -0.009 19604 9016 1 14 . 1 1 3 3 GLN CB C 3 29.778 29.778 30.207 -0.429 19604 9017 1 14 . 1 1 3 3 GLN H H 3 8.388 8.388 7.922 0.466 19604 9018 1 14 . 1 1 4 4 LEU N N 4 123.525 123.525 124.779 -1.254 19604 9019 1 14 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.743 -0.056 19604 9020 1 14 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.921 -0.562 19604 9021 1 14 . 1 1 4 4 LEU CB C 4 43.653 43.653 42.964 0.689 19604 9022 1 14 . 1 1 4 4 LEU H H 4 8.299 8.299 8.335 -0.036 19604 9023 1 14 . 1 1 5 5 THR N N 5 113.299 113.299 112.656 0.643 19604 9024 1 14 . 1 1 5 5 THR HA H 5 4.476 4.476 4.493 -0.017 19604 9025 1 14 . 1 1 5 5 THR CA C 5 60.463 60.463 60.148 0.315 19604 9026 1 14 . 1 1 5 5 THR CB C 5 71.250 71.250 70.907 0.343 19604 9027 1 14 . 1 1 5 5 THR H H 5 8.651 8.651 7.724 0.927 19604 9028 1 14 . 1 1 6 6 GLU N N 6 120.620 120.620 120.962 -0.342 19604 9029 1 14 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.995 -0.020 19604 9030 1 14 . 1 1 6 6 GLU CA C 6 59.935 59.935 59.977 -0.042 19604 9031 1 14 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.727 -0.527 19604 9032 1 14 . 1 1 6 6 GLU H H 6 9.014 9.014 8.804 0.210 19604 9033 1 14 . 1 1 7 7 GLU N N 7 119.586 119.586 118.315 1.271 19604 9034 1 14 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.055 0.013 19604 9035 1 14 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.303 0.640 19604 9036 1 14 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.306 -0.228 19604 9037 1 14 . 1 1 7 7 GLU H H 7 8.713 8.713 8.607 0.106 19604 9038 1 14 . 1 1 8 8 GLN N N 8 120.413 120.413 119.148 1.265 19604 9039 1 14 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.166 -0.341 19604 9040 1 14 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.472 0.303 19604 9041 1 14 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.859 0.601 19604 9042 1 14 . 1 1 8 8 GLN H H 8 7.719 7.719 7.656 0.063 19604 9043 1 14 . 1 1 9 9 ILE N N 9 119.362 119.362 120.613 -1.251 19604 9044 1 14 . 1 1 9 9 ILE HA H 9 3.668 3.668 4.004 -0.336 19604 9045 1 14 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.940 1.295 19604 9046 1 14 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.802 0.019 19604 9047 1 14 . 1 1 9 9 ILE H H 9 8.267 8.267 8.661 -0.394 19604 9048 1 14 . 1 1 10 10 ALA N N 10 121.321 121.321 122.668 -1.347 19604 9049 1 14 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.961 0.157 19604 9050 1 14 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.730 -0.333 19604 9051 1 14 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.803 -0.007 19604 9052 1 14 . 1 1 10 10 ALA H H 10 8.023 8.023 8.395 -0.372 19604 9053 1 14 . 1 1 11 11 GLU N N 11 119.865 119.865 118.610 1.255 19604 9054 1 14 . 1 1 11 11 GLU HA H 11 4.141 4.141 3.978 0.163 19604 9055 1 14 . 1 1 11 11 GLU CA C 11 59.411 59.411 59.054 0.357 19604 9056 1 14 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.176 0.032 19604 9057 1 14 . 1 1 11 11 GLU H H 11 7.761 7.761 7.651 0.110 19604 9058 1 14 . 1 1 12 12 PHE N N 12 119.971 119.971 118.273 1.698 19604 9059 1 14 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.360 0.663 19604 9060 1 14 . 1 1 12 12 PHE CA C 12 58.712 58.712 61.319 -2.607 19604 9061 1 14 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.548 -1.032 19604 9062 1 14 . 1 1 12 12 PHE H H 12 8.479 8.479 7.345 1.134 19604 9063 1 14 . 1 1 13 13 LYS N N 13 123.604 123.604 119.371 4.233 19604 9064 1 14 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.117 -0.143 19604 9065 1 14 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.153 -0.197 19604 9066 1 14 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.317 -0.539 19604 9067 1 14 . 1 1 13 13 LYS H H 13 9.222 9.222 8.806 0.416 19604 9068 1 14 . 1 1 14 14 GLU N N 14 120.976 120.976 118.867 2.109 19604 9069 1 14 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.187 -0.074 19604 9070 1 14 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.102 0.460 19604 9071 1 14 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.336 0.079 19604 9072 1 14 . 1 1 14 14 GLU H H 14 7.924 7.924 7.840 0.084 19604 9073 1 14 . 1 1 15 15 ALA N N 15 122.303 122.303 122.581 -0.278 19604 9074 1 14 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.263 0.061 19604 9075 1 14 . 1 1 15 15 ALA CA C 15 55.138 55.138 55.055 0.083 19604 9076 1 14 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.312 -0.310 19604 9077 1 14 . 1 1 15 15 ALA H H 15 7.990 7.990 7.764 0.226 19604 9078 1 14 . 1 1 16 16 PHE N N 16 119.011 119.011 118.869 0.142 19604 9079 1 14 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.934 -0.664 19604 9080 1 14 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.625 0.363 19604 9081 1 14 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.351 0.555 19604 9082 1 14 . 1 1 16 16 PHE H H 16 8.666 8.666 8.392 0.274 19604 9083 1 14 . 1 1 17 17 SER N N 17 113.988 113.988 113.220 0.768 19604 9084 1 14 . 1 1 17 17 SER HA H 17 4.086 4.086 4.192 -0.106 19604 9085 1 14 . 1 1 17 17 SER CA C 17 61.532 61.532 60.995 0.537 19604 9086 1 14 . 1 1 17 17 SER CB C 17 62.921 62.921 63.419 -0.498 19604 9087 1 14 . 1 1 17 17 SER H H 17 8.202 8.202 7.956 0.246 19604 9088 1 14 . 1 1 18 18 LEU N N 18 120.913 120.913 120.993 -0.080 19604 9089 1 14 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.074 -0.124 19604 9090 1 14 . 1 1 18 18 LEU CA C 18 57.487 57.487 56.978 0.509 19604 9091 1 14 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.069 -0.546 19604 9092 1 14 . 1 1 18 18 LEU H H 18 7.280 7.280 7.523 -0.243 19604 9093 1 14 . 1 1 19 19 PHE N N 19 113.613 113.613 113.976 -0.363 19604 9094 1 14 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.169 -0.137 19604 9095 1 14 . 1 1 19 19 PHE CA C 19 59.406 59.406 60.052 -0.646 19604 9096 1 14 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.060 2.497 19604 9097 1 14 . 1 1 19 19 PHE H H 19 7.070 7.070 7.564 -0.494 19604 9098 1 14 . 1 1 20 20 ASP N N 20 117.393 117.393 118.962 -1.569 19604 9099 1 14 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.535 0.058 19604 9100 1 14 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.568 -1.100 19604 9101 1 14 . 1 1 20 20 ASP CB C 20 39.296 39.296 39.987 -0.691 19604 9102 1 14 . 1 1 20 20 ASP H H 20 7.790 7.790 7.632 0.158 19604 9103 1 14 . 1 1 21 21 LYS N N 21 124.292 124.292 124.261 0.031 19604 9104 1 14 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.012 -0.034 19604 9105 1 14 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.223 0.097 19604 9106 1 14 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.675 -0.002 19604 9107 1 14 . 1 1 21 21 LYS H H 21 7.707 7.707 8.125 -0.418 19604 9108 1 14 . 1 1 22 22 ASP N N 22 114.139 114.139 115.738 -1.599 19604 9109 1 14 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.495 0.085 19604 9110 1 14 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.805 -1.014 19604 9111 1 14 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.378 -0.813 19604 9112 1 14 . 1 1 22 22 ASP H H 22 8.025 8.025 7.871 0.154 19604 9113 1 14 . 1 1 23 23 GLY N N 23 109.378 109.378 108.610 0.768 19604 9114 1 14 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.267 0.949 19604 9115 1 14 . 1 1 23 23 GLY H H 23 7.661 7.661 7.833 -0.172 19604 9116 1 14 . 1 1 24 24 ASP N N 24 121.022 121.022 119.974 1.048 19604 9117 1 14 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.506 0.009 19604 9118 1 14 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.589 0.089 19604 9119 1 14 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.633 -1.130 19604 9120 1 14 . 1 1 24 24 ASP H H 24 8.466 8.466 8.328 0.138 19604 9121 1 14 . 1 1 25 25 GLY N N 25 112.810 112.810 109.213 3.597 19604 9122 1 14 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.268 0.078 19604 9123 1 14 . 1 1 25 25 GLY H H 25 10.507 10.507 9.323 1.184 19604 9124 1 14 . 1 1 26 26 THR N N 26 112.094 112.094 113.789 -1.695 19604 9125 1 14 . 1 1 26 26 THR HA H 26 5.431 5.431 5.438 -0.007 19604 9126 1 14 . 1 1 26 26 THR CA C 26 59.576 59.576 60.377 -0.801 19604 9127 1 14 . 1 1 26 26 THR CB C 26 72.730 72.730 71.519 1.211 19604 9128 1 14 . 1 1 26 26 THR H H 26 8.191 8.191 8.363 -0.172 19604 9129 1 14 . 1 1 27 27 ILE N N 27 126.447 126.447 127.246 -0.799 19604 9130 1 14 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.578 0.189 19604 9131 1 14 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.715 0.415 19604 9132 1 14 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.736 1.252 19604 9133 1 14 . 1 1 27 27 ILE H H 27 9.845 9.845 9.196 0.649 19604 9134 1 14 . 1 1 28 28 THR N N 28 116.315 116.315 116.793 -0.478 19604 9135 1 14 . 1 1 28 28 THR HA H 28 4.894 4.894 4.921 -0.027 19604 9136 1 14 . 1 1 28 28 THR CA C 28 59.217 59.217 59.585 -0.368 19604 9137 1 14 . 1 1 28 28 THR CB C 28 72.480 72.480 71.711 0.769 19604 9138 1 14 . 1 1 28 28 THR H H 28 8.322 8.322 8.605 -0.283 19604 9139 1 14 . 1 1 29 29 THR N N 29 112.270 112.270 112.910 -0.640 19604 9140 1 14 . 1 1 29 29 THR HA H 29 3.790 3.790 4.002 -0.212 19604 9141 1 14 . 1 1 29 29 THR CA C 29 66.207 66.207 66.263 -0.056 19604 9142 1 14 . 1 1 29 29 THR CB C 29 67.737 67.737 68.451 -0.714 19604 9143 1 14 . 1 1 29 29 THR H H 29 9.251 9.251 8.833 0.418 19604 9144 1 14 . 1 1 30 30 LYS N N 30 121.127 121.127 120.530 0.597 19604 9145 1 14 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.106 0.012 19604 9146 1 14 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.160 0.097 19604 9147 1 14 . 1 1 30 30 LYS CB C 30 32.533 32.533 31.821 0.712 19604 9148 1 14 . 1 1 30 30 LYS H H 30 7.569 7.569 8.397 -0.828 19604 9149 1 14 . 1 1 31 31 GLU N N 31 121.876 121.876 120.435 1.441 19604 9150 1 14 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.118 -0.102 19604 9151 1 14 . 1 1 31 31 GLU CA C 31 59.457 59.457 58.740 0.717 19604 9152 1 14 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.688 -0.137 19604 9153 1 14 . 1 1 31 31 GLU H H 31 7.715 7.715 7.609 0.106 19604 9154 1 14 . 1 1 32 32 LEU N N 32 120.674 120.674 121.088 -0.414 19604 9155 1 14 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.233 -0.039 19604 9156 1 14 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.454 0.733 19604 9157 1 14 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.124 0.032 19604 9158 1 14 . 1 1 32 32 LEU H H 32 8.592 8.592 8.399 0.193 19604 9159 1 14 . 1 1 33 33 GLY N N 33 106.859 106.859 105.675 1.184 19604 9160 1 14 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.629 0.598 19604 9161 1 14 . 1 1 33 33 GLY H H 33 8.861 8.861 8.508 0.353 19604 9162 1 14 . 1 1 34 34 THR N N 34 118.512 118.512 118.816 -0.304 19604 9163 1 14 . 1 1 34 34 THR HA H 34 3.935 3.935 3.879 0.056 19604 9164 1 14 . 1 1 34 34 THR CA C 34 66.964 66.964 66.822 0.142 19604 9165 1 14 . 1 1 34 34 THR CB C 34 68.610 68.610 68.723 -0.113 19604 9166 1 14 . 1 1 34 34 THR H H 34 7.965 7.965 7.429 0.536 19604 9167 1 14 . 1 1 35 35 VAL N N 35 122.456 122.456 120.969 1.487 19604 9168 1 14 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.501 0.070 19604 9169 1 14 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.608 -0.049 19604 9170 1 14 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.354 0.177 19604 9171 1 14 . 1 1 35 35 VAL H H 35 7.532 7.532 7.363 0.169 19604 9172 1 14 . 1 1 36 36 MET N N 36 118.015 118.015 117.853 0.162 19604 9173 1 14 . 1 1 36 36 MET HA H 36 3.899 3.899 4.063 -0.164 19604 9174 1 14 . 1 1 36 36 MET CA C 36 60.156 60.156 59.411 0.745 19604 9175 1 14 . 1 1 36 36 MET CB C 36 31.731 31.731 32.219 -0.488 19604 9176 1 14 . 1 1 36 36 MET H H 36 8.525 8.525 8.063 0.462 19604 9177 1 14 . 1 1 37 37 ARG N N 37 119.604 119.604 118.820 0.784 19604 9178 1 14 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.976 0.805 19604 9179 1 14 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.489 -0.233 19604 9180 1 14 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.180 -0.567 19604 9181 1 14 . 1 1 37 37 ARG H H 37 8.579 8.579 7.840 0.739 19604 9182 1 14 . 1 1 38 38 SER N N 38 119.543 119.543 113.864 5.679 19604 9183 1 14 . 1 1 38 38 SER HA H 38 4.396 4.396 4.319 0.077 19604 9184 1 14 . 1 1 38 38 SER CA C 38 61.758 61.758 60.691 1.067 19604 9185 1 14 . 1 1 38 38 SER CB C 38 62.691 62.691 63.042 -0.351 19604 9186 1 14 . 1 1 38 38 SER H H 38 7.939 7.939 7.668 0.271 19604 9187 1 14 . 1 1 39 39 LEU N N 39 120.454 120.454 120.335 0.119 19604 9188 1 14 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.364 0.077 19604 9189 1 14 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.608 -0.992 19604 9190 1 14 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.559 -0.430 19604 9191 1 14 . 1 1 39 39 LEU H H 39 7.394 7.394 7.543 -0.149 19604 9192 1 14 . 1 1 40 40 GLY N N 40 107.378 107.378 106.463 0.915 19604 9193 1 14 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.596 1.019 19604 9194 1 14 . 1 1 40 40 GLY H H 40 7.897 7.897 7.888 0.009 19604 9195 1 14 . 1 1 41 41 GLN N N 41 118.330 118.330 119.708 -1.378 19604 9196 1 14 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.600 -0.099 19604 9197 1 14 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.211 0.108 19604 9198 1 14 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.895 -1.401 19604 9199 1 14 . 1 1 41 41 GLN H H 41 7.883 7.883 7.934 -0.051 19604 9200 1 14 . 1 1 42 42 ASN N N 42 116.488 116.488 122.554 -6.066 19604 9201 1 14 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.009 0.203 19604 9202 1 14 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.760 1.368 19604 9203 1 14 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.702 0.469 19604 9204 1 14 . 1 1 42 42 ASN H H 42 8.697 8.697 8.564 0.133 19604 9205 1 14 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.544 0.240 19604 9206 1 14 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.836 -0.514 19604 9207 1 14 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.620 -0.342 19604 9208 1 14 . 1 1 44 44 THR N N 44 112.452 112.452 114.193 -1.741 19604 9209 1 14 . 1 1 44 44 THR HA H 44 4.461 4.461 4.519 -0.058 19604 9210 1 14 . 1 1 44 44 THR CA C 44 60.411 60.411 59.869 0.542 19604 9211 1 14 . 1 1 44 44 THR CB C 44 71.068 71.068 71.878 -0.810 19604 9212 1 14 . 1 1 44 44 THR H H 44 8.678 8.678 8.200 0.478 19604 9213 1 14 . 1 1 45 45 GLU N N 45 120.954 120.954 124.388 -3.434 19604 9214 1 14 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.909 0.101 19604 9215 1 14 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.156 -0.273 19604 9216 1 14 . 1 1 45 45 GLU H H 45 8.803 8.803 9.081 -0.278 19604 9217 1 14 . 1 1 46 46 ALA N N 46 120.643 120.643 120.014 0.629 19604 9218 1 14 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.241 -0.124 19604 9219 1 14 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.501 0.512 19604 9220 1 14 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.242 -0.069 19604 9221 1 14 . 1 1 46 46 ALA H H 46 8.272 8.272 8.214 0.058 19604 9222 1 14 . 1 1 47 47 GLU N N 47 119.059 119.059 120.222 -1.163 19604 9223 1 14 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.069 -0.034 19604 9224 1 14 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.096 0.067 19604 9225 1 14 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.696 0.230 19604 9226 1 14 . 1 1 47 47 GLU H H 47 7.686 7.686 7.726 -0.040 19604 9227 1 14 . 1 1 48 48 LEU N N 48 119.848 119.848 119.650 0.198 19604 9228 1 14 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.900 0.125 19604 9229 1 14 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.194 -0.353 19604 9230 1 14 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.843 0.587 19604 9231 1 14 . 1 1 48 48 LEU H H 48 8.036 8.036 8.661 -0.625 19604 9232 1 14 . 1 1 49 49 GLN N N 49 118.226 118.226 117.857 0.369 19604 9233 1 14 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.936 -0.133 19604 9234 1 14 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.791 -0.230 19604 9235 1 14 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.918 0.324 19604 9236 1 14 . 1 1 49 49 GLN H H 49 8.323 8.323 7.900 0.423 19604 9237 1 14 . 1 1 50 50 ASP N N 50 119.928 119.928 119.376 0.552 19604 9238 1 14 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.450 -0.052 19604 9239 1 14 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.076 0.533 19604 9240 1 14 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.714 -0.081 19604 9241 1 14 . 1 1 50 50 ASP H H 50 8.147 8.147 7.488 0.659 19604 9242 1 14 . 1 1 51 51 MET N N 51 117.796 117.796 119.109 -1.313 19604 9243 1 14 . 1 1 51 51 MET HA H 51 4.050 4.050 4.051 -0.001 19604 9244 1 14 . 1 1 51 51 MET CA C 51 59.555 59.555 59.845 -0.290 19604 9245 1 14 . 1 1 51 51 MET CB C 51 32.846 32.846 32.572 0.274 19604 9246 1 14 . 1 1 51 51 MET H H 51 7.814 7.814 7.678 0.136 19604 9247 1 14 . 1 1 52 52 ILE N N 52 118.474 118.474 118.689 -0.215 19604 9248 1 14 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.645 -0.046 19604 9249 1 14 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.977 -0.871 19604 9250 1 14 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.504 -0.445 19604 9251 1 14 . 1 1 52 52 ILE H H 52 7.685 7.685 7.824 -0.139 19604 9252 1 14 . 1 1 53 53 ASN N N 53 118.591 118.591 117.164 1.427 19604 9253 1 14 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.539 -0.122 19604 9254 1 14 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.479 0.426 19604 9255 1 14 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.931 0.060 19604 9256 1 14 . 1 1 53 53 ASN H H 53 8.786 8.786 7.965 0.821 19604 9257 1 14 . 1 1 54 54 GLU N N 54 115.327 115.327 118.485 -3.158 19604 9258 1 14 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.176 -0.128 19604 9259 1 14 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.883 0.194 19604 9260 1 14 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.010 0.915 19604 9261 1 14 . 1 1 54 54 GLU H H 54 7.368 7.368 8.085 -0.717 19604 9262 1 14 . 1 1 55 55 VAL N N 55 111.285 111.285 109.734 1.551 19604 9263 1 14 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.345 -0.118 19604 9264 1 14 . 1 1 55 55 VAL CA C 55 60.832 60.832 59.489 1.343 19604 9265 1 14 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.101 2.216 19604 9266 1 14 . 1 1 55 55 VAL H H 55 7.133 7.133 7.303 -0.170 19604 9267 1 14 . 1 1 56 56 ASP N N 56 121.291 121.291 122.142 -0.851 19604 9268 1 14 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.983 -0.515 19604 9269 1 14 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.262 0.438 19604 9270 1 14 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.108 0.475 19604 9271 1 14 . 1 1 56 56 ASP H H 56 7.567 7.567 7.548 0.019 19604 9272 1 14 . 1 1 57 57 ALA N N 57 131.432 131.432 129.871 1.561 19604 9273 1 14 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.180 0.049 19604 9274 1 14 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.769 0.586 19604 9275 1 14 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.825 -0.130 19604 9276 1 14 . 1 1 57 57 ALA H H 57 8.064 8.064 8.616 -0.552 19604 9277 1 14 . 1 1 58 58 ASP N N 58 114.063 114.063 115.812 -1.749 19604 9278 1 14 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.627 0.010 19604 9279 1 14 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.190 -0.422 19604 9280 1 14 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.470 -0.622 19604 9281 1 14 . 1 1 58 58 ASP H H 58 8.211 8.211 8.132 0.079 19604 9282 1 14 . 1 1 59 59 GLY N N 59 108.646 108.646 109.028 -0.382 19604 9283 1 14 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.965 1.235 19604 9284 1 14 . 1 1 59 59 GLY H H 59 7.584 7.584 7.844 -0.260 19604 9285 1 14 . 1 1 60 60 ASN N N 60 118.886 118.886 118.584 0.302 19604 9286 1 14 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.746 -0.126 19604 9287 1 14 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.373 0.303 19604 9288 1 14 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.797 -2.218 19604 9289 1 14 . 1 1 60 60 ASN H H 60 8.162 8.162 8.732 -0.570 19604 9290 1 14 . 1 1 61 61 GLY N N 61 113.458 113.458 110.677 2.781 19604 9291 1 14 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.676 -0.037 19604 9292 1 14 . 1 1 61 61 GLY H H 61 10.568 10.568 8.806 1.762 19604 9293 1 14 . 1 1 62 62 THR N N 62 108.490 108.490 109.962 -1.472 19604 9294 1 14 . 1 1 62 62 THR HA H 62 4.800 4.800 4.716 0.084 19604 9295 1 14 . 1 1 62 62 THR CA C 62 59.327 59.327 60.272 -0.945 19604 9296 1 14 . 1 1 62 62 THR CB C 62 72.409 72.409 72.261 0.148 19604 9297 1 14 . 1 1 62 62 THR H H 62 7.643 7.643 8.245 -0.602 19604 9298 1 14 . 1 1 63 63 ILE N N 63 123.350 123.350 123.458 -0.108 19604 9299 1 14 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.616 0.598 19604 9300 1 14 . 1 1 63 63 ILE CA C 63 59.051 59.051 61.045 -1.994 19604 9301 1 14 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.116 1.489 19604 9302 1 14 . 1 1 63 63 ILE H H 63 8.544 8.544 8.663 -0.119 19604 9303 1 14 . 1 1 64 64 ASP N N 64 128.480 128.480 128.356 0.124 19604 9304 1 14 . 1 1 64 64 ASP HA H 64 5.507 5.507 4.806 0.701 19604 9305 1 14 . 1 1 64 64 ASP CA C 64 51.985 51.985 54.141 -2.156 19604 9306 1 14 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.812 -0.609 19604 9307 1 14 . 1 1 64 64 ASP H H 64 8.902 8.902 8.203 0.699 19604 9308 1 14 . 1 1 65 65 PHE N N 65 118.622 118.622 120.123 -1.501 19604 9309 1 14 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.083 0.896 19604 9310 1 14 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.292 1.793 19604 9311 1 14 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.642 -0.740 19604 9312 1 14 . 1 1 65 65 PHE H H 65 8.967 8.967 8.619 0.348 19604 9313 1 14 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.611 0.277 19604 9314 1 14 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.962 1.888 19604 9315 1 14 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.660 0.140 19604 9316 1 14 . 1 1 67 67 GLU N N 67 118.243 118.243 119.223 -0.980 19604 9317 1 14 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.964 0.001 19604 9318 1 14 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.620 -0.575 19604 9319 1 14 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.937 0.937 19604 9320 1 14 . 1 1 67 67 GLU H H 67 8.420 8.420 8.284 0.136 19604 9321 1 14 . 1 1 68 68 PHE N N 68 124.020 124.020 119.344 4.676 19604 9322 1 14 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.310 -0.525 19604 9323 1 14 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.792 0.695 19604 9324 1 14 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.597 1.185 19604 9325 1 14 . 1 1 68 68 PHE H H 68 8.638 8.638 7.595 1.043 19604 9326 1 14 . 1 1 69 69 LEU N N 69 120.062 120.062 120.354 -0.292 19604 9327 1 14 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.743 -0.375 19604 9328 1 14 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.636 0.218 19604 9329 1 14 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.233 0.152 19604 9330 1 14 . 1 1 69 69 LEU H H 69 8.972 8.972 7.304 1.668 19604 9331 1 14 . 1 1 70 70 THR N N 70 115.488 115.488 114.265 1.223 19604 9332 1 14 . 1 1 70 70 THR HA H 70 3.697 3.697 3.753 -0.056 19604 9333 1 14 . 1 1 70 70 THR CA C 70 66.558 66.558 65.987 0.570 19604 9334 1 14 . 1 1 70 70 THR CB C 70 68.396 68.396 68.515 -0.119 19604 9335 1 14 . 1 1 70 70 THR H H 70 7.855 7.855 8.301 -0.446 19604 9336 1 14 . 1 1 71 71 MET N N 71 119.627 119.627 119.768 -0.141 19604 9337 1 14 . 1 1 71 71 MET HA H 71 3.757 3.757 3.994 -0.237 19604 9338 1 14 . 1 1 71 71 MET CA C 71 58.334 58.334 58.999 -0.665 19604 9339 1 14 . 1 1 71 71 MET CB C 71 30.736 30.736 32.087 -1.351 19604 9340 1 14 . 1 1 71 71 MET H H 71 7.155 7.155 7.335 -0.180 19604 9341 1 14 . 1 1 72 72 MET N N 72 116.046 116.046 117.113 -1.067 19604 9342 1 14 . 1 1 72 72 MET HA H 72 3.977 3.977 4.102 -0.125 19604 9343 1 14 . 1 1 72 72 MET CA C 72 55.138 55.138 58.058 -2.920 19604 9344 1 14 . 1 1 72 72 MET CB C 72 29.103 29.103 32.303 -3.200 19604 9345 1 14 . 1 1 72 72 MET H H 72 7.646 7.646 7.548 0.098 19604 9346 1 14 . 1 1 73 73 ALA N N 73 120.685 120.685 122.119 -1.434 19604 9347 1 14 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.003 0.179 19604 9348 1 14 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.776 -1.677 19604 9349 1 14 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.063 1.229 19604 9350 1 14 . 1 1 73 73 ALA H H 73 8.080 8.080 7.956 0.124 19604 9351 1 14 . 1 1 74 74 ARG N N 74 118.501 118.501 118.251 0.250 19604 9352 1 14 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.908 0.280 19604 9353 1 14 . 1 1 74 74 ARG CA C 74 56.977 56.977 59.062 -2.085 19604 9354 1 14 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.042 0.475 19604 9355 1 14 . 1 1 74 74 ARG H H 74 7.367 7.367 7.952 -0.585 19604 9356 1 14 . 1 1 76 76 MET HA H 76 4.413 4.413 4.255 0.158 19604 9357 1 14 . 1 1 76 76 MET CA C 76 55.804 55.804 56.669 -0.865 19604 9358 1 14 . 1 1 76 76 MET CB C 76 33.291 33.291 33.075 0.216 19604 9359 1 14 . 1 1 77 77 LYS N N 77 121.563 121.563 119.257 2.306 19604 9360 1 14 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.430 -0.109 19604 9361 1 14 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.803 0.615 19604 9362 1 14 . 1 1 77 77 LYS CB C 77 33.251 33.251 32.555 0.696 19604 9363 1 14 . 1 1 77 77 LYS H H 77 8.253 8.253 7.459 0.794 19604 9364 1 14 . 1 1 78 78 ASP N N 78 121.953 121.953 123.494 -1.541 19604 9365 1 14 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.866 -0.248 19604 9366 1 14 . 1 1 78 78 ASP CA C 78 54.855 54.855 53.137 1.718 19604 9367 1 14 . 1 1 78 78 ASP CB C 78 41.116 41.116 43.090 -1.974 19604 9368 1 14 . 1 1 78 78 ASP H H 78 8.362 8.362 8.452 -0.090 19604 9369 1 14 . 1 1 79 79 THR N N 79 113.276 113.276 112.338 0.938 19604 9370 1 14 . 1 1 79 79 THR HA H 79 4.305 4.305 4.540 -0.235 19604 9371 1 14 . 1 1 79 79 THR CA C 79 62.124 62.124 62.643 -0.519 19604 9372 1 14 . 1 1 79 79 THR CB C 79 69.634 69.634 69.174 0.460 19604 9373 1 14 . 1 1 79 79 THR H H 79 8.014 8.014 8.338 -0.324 19604 9374 1 14 . 1 1 80 80 ASP N N 80 122.850 122.850 121.303 1.547 19604 9375 1 14 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.497 0.178 19604 9376 1 14 . 1 1 80 80 ASP CA C 80 54.655 54.655 56.131 -1.476 19604 9377 1 14 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.138 0.286 19604 9378 1 14 . 1 1 80 80 ASP H H 80 8.316 8.316 8.132 0.184 19604 9379 1 14 . 1 1 81 81 SER N N 81 116.864 116.864 116.177 0.687 19604 9380 1 14 . 1 1 81 81 SER HA H 81 4.429 4.429 4.132 0.297 19604 9381 1 14 . 1 1 81 81 SER CA C 81 59.337 59.337 61.572 -2.235 19604 9382 1 14 . 1 1 81 81 SER CB C 81 63.672 63.672 62.741 0.931 19604 9383 1 14 . 1 1 81 81 SER H H 81 8.391 8.391 8.443 -0.052 19604 9384 1 14 . 1 1 82 82 GLU N N 82 122.561 122.561 121.310 1.251 19604 9385 1 14 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.041 0.032 19604 9386 1 14 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.468 -0.289 19604 9387 1 14 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.295 0.217 19604 9388 1 14 . 1 1 82 82 GLU H H 82 8.479 8.479 8.687 -0.208 19604 9389 1 14 . 1 1 83 83 GLU N N 83 119.348 119.348 118.669 0.679 19604 9390 1 14 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.080 -0.036 19604 9391 1 14 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.309 0.338 19604 9392 1 14 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.695 -0.164 19604 9393 1 14 . 1 1 83 83 GLU H H 83 8.279 8.279 8.084 0.195 19604 9394 1 14 . 1 1 84 84 GLU N N 84 118.810 118.810 119.594 -0.784 19604 9395 1 14 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.224 -0.111 19604 9396 1 14 . 1 1 84 84 GLU CA C 84 59.477 59.477 58.521 0.956 19604 9397 1 14 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.487 0.182 19604 9398 1 14 . 1 1 84 84 GLU H H 84 8.062 8.062 7.740 0.322 19604 9399 1 14 . 1 1 85 85 ILE N N 85 122.019 122.019 121.727 0.292 19604 9400 1 14 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.908 0.010 19604 9401 1 14 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.977 -0.650 19604 9402 1 14 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.843 -0.415 19604 9403 1 14 . 1 1 85 85 ILE H H 85 8.008 8.008 8.485 -0.477 19604 9404 1 14 . 1 1 86 86 ARG N N 86 121.851 121.851 118.812 3.039 19604 9405 1 14 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.063 0.103 19604 9406 1 14 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.499 0.527 19604 9407 1 14 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.647 0.320 19604 9408 1 14 . 1 1 86 86 ARG H H 86 8.446 8.446 8.140 0.306 19604 9409 1 14 . 1 1 87 87 GLU N N 87 118.621 118.621 119.252 -0.631 19604 9410 1 14 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.134 -0.024 19604 9411 1 14 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.009 0.098 19604 9412 1 14 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.716 -0.290 19604 9413 1 14 . 1 1 87 87 GLU H H 87 8.149 8.149 7.666 0.483 19604 9414 1 14 . 1 1 88 88 ALA N N 88 121.741 121.741 122.617 -0.876 19604 9415 1 14 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.672 0.353 19604 9416 1 14 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.875 0.111 19604 9417 1 14 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.152 -0.428 19604 9418 1 14 . 1 1 88 88 ALA H H 88 7.880 7.880 8.014 -0.134 19604 9419 1 14 . 1 1 89 89 PHE N N 89 118.057 118.057 119.078 -1.021 19604 9420 1 14 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.776 -0.627 19604 9421 1 14 . 1 1 89 89 PHE CA C 89 62.366 62.366 62.101 0.265 19604 9422 1 14 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.900 0.437 19604 9423 1 14 . 1 1 89 89 PHE H H 89 8.463 8.463 8.771 -0.308 19604 9424 1 14 . 1 1 90 90 ARG N N 90 115.723 115.723 118.506 -2.783 19604 9425 1 14 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.925 -0.033 19604 9426 1 14 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.124 -0.236 19604 9427 1 14 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.758 0.648 19604 9428 1 14 . 1 1 90 90 ARG H H 90 7.775 7.775 7.824 -0.049 19604 9429 1 14 . 1 1 91 91 VAL N N 91 118.161 118.161 117.874 0.287 19604 9430 1 14 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.584 -0.060 19604 9431 1 14 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.570 0.026 19604 9432 1 14 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.609 -0.065 19604 9433 1 14 . 1 1 91 91 VAL H H 91 7.484 7.484 7.357 0.127 19604 9434 1 14 . 1 1 92 92 PHE N N 92 117.398 117.398 114.743 2.655 19604 9435 1 14 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.246 0.032 19604 9436 1 14 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.562 1.119 19604 9437 1 14 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.344 1.510 19604 9438 1 14 . 1 1 92 92 PHE H H 92 7.544 7.544 7.100 0.444 19604 9439 1 14 . 1 1 93 93 ASP N N 93 117.503 117.503 119.093 -1.590 19604 9440 1 14 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.304 0.237 19604 9441 1 14 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.427 -2.245 19604 9442 1 14 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.996 -1.569 19604 9443 1 14 . 1 1 93 93 ASP H H 93 7.963 7.963 7.732 0.231 19604 9444 1 14 . 1 1 94 94 LYS N N 94 125.976 125.976 125.337 0.639 19604 9445 1 14 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.086 -0.180 19604 9446 1 14 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.814 1.248 19604 9447 1 14 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.705 0.328 19604 9448 1 14 . 1 1 94 94 LYS H H 94 7.585 7.585 8.105 -0.520 19604 9449 1 14 . 1 1 95 95 ASP N N 95 114.100 114.100 115.085 -0.985 19604 9450 1 14 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.501 0.053 19604 9451 1 14 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.661 -0.595 19604 9452 1 14 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.464 -0.715 19604 9453 1 14 . 1 1 95 95 ASP H H 95 8.186 8.186 7.942 0.244 19604 9454 1 14 . 1 1 96 96 GLY N N 96 109.383 109.383 108.226 1.157 19604 9455 1 14 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.133 1.015 19604 9456 1 14 . 1 1 96 96 GLY H H 96 7.809 7.809 7.749 0.060 19604 9457 1 14 . 1 1 97 97 ASN N N 97 119.744 119.744 119.402 0.342 19604 9458 1 14 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.646 -0.000 19604 9459 1 14 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.831 -0.176 19604 9460 1 14 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.973 -0.784 19604 9461 1 14 . 1 1 97 97 ASN H H 97 8.336 8.336 8.556 -0.220 19604 9462 1 14 . 1 1 98 98 GLY N N 98 112.937 112.937 107.431 5.506 19604 9463 1 14 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.502 -0.470 19604 9464 1 14 . 1 1 98 98 GLY H H 98 10.653 10.653 8.668 1.985 19604 9465 1 14 . 1 1 99 99 TYR N N 99 115.956 115.956 118.202 -2.246 19604 9466 1 14 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.006 0.055 19604 9467 1 14 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.764 -1.575 19604 9468 1 14 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.767 0.278 19604 9469 1 14 . 1 1 99 99 TYR H H 99 7.630 7.630 8.521 -0.891 19604 9470 1 14 . 1 1 100 100 ILE N N 100 127.360 127.360 122.714 4.646 19604 9471 1 14 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.808 -0.024 19604 9472 1 14 . 1 1 100 100 ILE CA C 100 61.019 61.019 59.822 1.197 19604 9473 1 14 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.957 -1.972 19604 9474 1 14 . 1 1 100 100 ILE H H 100 10.174 10.174 9.047 1.127 19604 9475 1 14 . 1 1 101 101 SER N N 101 124.117 124.117 123.026 1.091 19604 9476 1 14 . 1 1 101 101 SER HA H 101 4.885 4.885 4.913 -0.028 19604 9477 1 14 . 1 1 101 101 SER CA C 101 55.722 55.722 56.243 -0.521 19604 9478 1 14 . 1 1 101 101 SER CB C 101 66.631 66.631 66.177 0.454 19604 9479 1 14 . 1 1 101 101 SER H H 101 8.977 8.977 8.105 0.872 19604 9480 1 14 . 1 1 102 102 ALA N N 102 123.057 123.057 123.131 -0.074 19604 9481 1 14 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.207 -0.283 19604 9482 1 14 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.087 0.867 19604 9483 1 14 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.506 -0.615 19604 9484 1 14 . 1 1 102 102 ALA H H 102 9.261 9.261 8.911 0.350 19604 9485 1 14 . 1 1 103 103 ALA N N 103 118.685 118.685 120.786 -2.101 19604 9486 1 14 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.066 -0.042 19604 9487 1 14 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.472 0.747 19604 9488 1 14 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.452 -0.137 19604 9489 1 14 . 1 1 103 103 ALA H H 103 8.271 8.271 7.998 0.273 19604 9490 1 14 . 1 1 104 104 GLU N N 104 119.737 119.737 119.193 0.544 19604 9491 1 14 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.057 -0.020 19604 9492 1 14 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.960 0.290 19604 9493 1 14 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.760 -0.544 19604 9494 1 14 . 1 1 104 104 GLU H H 104 7.857 7.857 7.577 0.280 19604 9495 1 14 . 1 1 105 105 LEU N N 105 122.037 122.037 120.846 1.191 19604 9496 1 14 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.904 0.132 19604 9497 1 14 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.883 0.169 19604 9498 1 14 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.849 0.265 19604 9499 1 14 . 1 1 105 105 LEU H H 105 8.685 8.685 7.938 0.747 19604 9500 1 14 . 1 1 106 106 ARG N N 106 118.484 118.484 118.153 0.331 19604 9501 1 14 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.789 -0.081 19604 9502 1 14 . 1 1 106 106 ARG CA C 106 60.030 60.030 60.383 -0.353 19604 9503 1 14 . 1 1 106 106 ARG CB C 106 30.317 30.317 30.016 0.301 19604 9504 1 14 . 1 1 106 106 ARG H H 106 8.682 8.682 7.653 1.029 19604 9505 1 14 . 1 1 107 107 HIS N N 107 118.917 118.917 116.899 2.018 19604 9506 1 14 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.370 -0.074 19604 9507 1 14 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.380 0.462 19604 9508 1 14 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.390 1.186 19604 9509 1 14 . 1 1 107 107 HIS H H 107 7.803 7.803 7.859 -0.056 19604 9510 1 14 . 1 1 108 108 VAL N N 108 119.662 119.662 119.865 -0.203 19604 9511 1 14 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.751 -0.293 19604 9512 1 14 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.148 0.304 19604 9513 1 14 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.391 0.202 19604 9514 1 14 . 1 1 108 108 VAL H H 108 7.887 7.887 7.644 0.243 19604 9515 1 14 . 1 1 109 109 MET N N 109 115.981 115.981 117.907 -1.926 19604 9516 1 14 . 1 1 109 109 MET HA H 109 4.296 4.296 4.178 0.118 19604 9517 1 14 . 1 1 109 109 MET CA C 109 57.062 57.062 57.674 -0.612 19604 9518 1 14 . 1 1 109 109 MET H H 109 8.128 8.128 7.919 0.209 19604 9519 1 14 . 1 1 110 110 THR N N 110 116.866 116.866 113.169 3.697 19604 9520 1 14 . 1 1 110 110 THR HA H 110 4.080 4.080 3.892 0.188 19604 9521 1 14 . 1 1 110 110 THR CA C 110 66.402 66.402 65.480 0.922 19604 9522 1 14 . 1 1 110 110 THR CB C 110 68.574 68.574 68.288 0.286 19604 9523 1 14 . 1 1 110 110 THR H H 110 8.302 8.302 8.728 -0.426 19604 9524 1 14 . 1 1 111 111 ASN N N 111 122.811 122.811 119.803 3.008 19604 9525 1 14 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.488 -0.043 19604 9526 1 14 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.353 0.458 19604 9527 1 14 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.295 -0.320 19604 9528 1 14 . 1 1 111 111 ASN H H 111 7.849 7.849 7.652 0.197 19604 9529 1 14 . 1 1 112 112 LEU N N 112 118.869 118.869 117.876 0.993 19604 9530 1 14 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.303 0.042 19604 9531 1 14 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.671 -0.580 19604 9532 1 14 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.482 -0.402 19604 9533 1 14 . 1 1 112 112 LEU H H 112 7.666 7.666 7.782 -0.116 19604 9534 1 14 . 1 1 113 113 GLY N N 113 107.124 107.124 106.276 0.848 19604 9535 1 14 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.350 1.066 19604 9536 1 14 . 1 1 113 113 GLY H H 113 7.818 7.818 7.614 0.204 19604 9537 1 14 . 1 1 114 114 GLU N N 114 120.113 120.113 120.655 -0.542 19604 9538 1 14 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.443 -0.016 19604 9539 1 14 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.979 -0.383 19604 9540 1 14 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.182 -0.472 19604 9541 1 14 . 1 1 114 114 GLU H H 114 7.895 7.895 7.806 0.089 19604 9542 1 14 . 1 1 115 115 LYS N N 115 124.920 124.920 126.608 -1.688 19604 9543 1 14 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.194 0.186 19604 9544 1 14 . 1 1 115 115 LYS CA C 115 55.393 55.393 57.134 -1.741 19604 9545 1 14 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.422 -0.377 19604 9546 1 14 . 1 1 115 115 LYS H H 115 8.583 8.583 8.564 0.019 19604 9547 1 14 . 1 1 116 116 LEU N N 116 124.979 124.979 125.385 -0.406 19604 9548 1 14 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.630 0.137 19604 9549 1 14 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.420 0.661 19604 9550 1 14 . 1 1 116 116 LEU CB C 116 44.532 44.532 46.222 -1.690 19604 9551 1 14 . 1 1 116 116 LEU H H 116 8.082 8.082 7.877 0.205 19604 9552 1 14 . 1 1 117 117 THR N N 117 114.448 114.448 110.861 3.587 19604 9553 1 14 . 1 1 117 117 THR HA H 117 4.452 4.452 4.613 -0.161 19604 9554 1 14 . 1 1 117 117 THR CA C 117 60.690 60.690 59.891 0.799 19604 9555 1 14 . 1 1 117 117 THR CB C 117 71.051 71.051 71.424 -0.373 19604 9556 1 14 . 1 1 117 117 THR H H 117 9.172 9.172 8.081 1.091 19604 9557 1 14 . 1 1 118 118 ASP N N 118 121.175 121.175 121.094 0.081 19604 9558 1 14 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.267 -0.054 19604 9559 1 14 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.209 -0.217 19604 9560 1 14 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.647 -0.977 19604 9561 1 14 . 1 1 118 118 ASP H H 118 8.889 8.889 8.760 0.129 19604 9562 1 14 . 1 1 119 119 GLU N N 119 119.386 119.386 118.327 1.059 19604 9563 1 14 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.050 0.038 19604 9564 1 14 . 1 1 119 119 GLU CA C 119 60.013 60.013 59.066 0.947 19604 9565 1 14 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.508 -0.336 19604 9566 1 14 . 1 1 119 119 GLU H H 119 8.665 8.665 8.485 0.180 19604 9567 1 14 . 1 1 120 120 GLU N N 120 120.564 120.564 119.429 1.135 19604 9568 1 14 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.119 -0.137 19604 9569 1 14 . 1 1 120 120 GLU CA C 120 59.252 59.252 58.953 0.299 19604 9570 1 14 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.489 1.271 19604 9571 1 14 . 1 1 120 120 GLU H H 120 7.715 7.715 7.485 0.230 19604 9572 1 14 . 1 1 121 121 VAL N N 121 120.955 120.955 119.339 1.616 19604 9573 1 14 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.660 -0.204 19604 9574 1 14 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.558 0.323 19604 9575 1 14 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.345 -0.015 19604 9576 1 14 . 1 1 121 121 VAL H H 121 8.050 8.050 7.729 0.321 19604 9577 1 14 . 1 1 122 122 ASP N N 122 120.016 120.016 120.277 -0.261 19604 9578 1 14 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.243 0.120 19604 9579 1 14 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.151 -0.437 19604 9580 1 14 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.596 -0.143 19604 9581 1 14 . 1 1 122 122 ASP H H 122 7.980 7.980 7.701 0.279 19604 9582 1 14 . 1 1 123 123 GLU N N 123 119.913 119.913 118.282 1.631 19604 9583 1 14 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.039 0.006 19604 9584 1 14 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.201 0.104 19604 9585 1 14 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.466 -0.187 19604 9586 1 14 . 1 1 123 123 GLU H H 123 8.033 8.033 8.403 -0.370 19604 9587 1 14 . 1 1 124 124 MET N N 124 119.642 119.642 118.035 1.607 19604 9588 1 14 . 1 1 124 124 MET HA H 124 4.175 4.175 4.155 0.020 19604 9589 1 14 . 1 1 124 124 MET CA C 124 60.420 60.420 59.143 1.277 19604 9590 1 14 . 1 1 124 124 MET CB C 124 33.408 33.408 33.104 0.304 19604 9591 1 14 . 1 1 124 124 MET H H 124 7.930 7.930 7.753 0.177 19604 9592 1 14 . 1 1 125 125 ILE N N 125 119.663 119.663 119.335 0.328 19604 9593 1 14 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.693 0.016 19604 9594 1 14 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.098 0.241 19604 9595 1 14 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.529 -0.194 19604 9596 1 14 . 1 1 125 125 ILE H H 125 8.147 8.147 8.074 0.073 19604 9597 1 14 . 1 1 126 126 ARG N N 126 118.998 118.998 119.078 -0.080 19604 9598 1 14 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.953 0.119 19604 9599 1 14 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.462 0.366 19604 9600 1 14 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.199 0.132 19604 9601 1 14 . 1 1 126 126 ARG H H 126 8.431 8.431 8.365 0.066 19604 9602 1 14 . 1 1 127 127 GLU N N 127 116.058 116.058 118.294 -2.236 19604 9603 1 14 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.137 -0.153 19604 9604 1 14 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.662 0.143 19604 9605 1 14 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.986 -0.180 19604 9606 1 14 . 1 1 127 127 GLU H H 127 7.899 7.899 7.699 0.200 19604 9607 1 14 . 1 1 128 128 ALA N N 128 117.702 117.702 119.753 -2.051 19604 9608 1 14 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.105 0.348 19604 9609 1 14 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.462 -1.742 19604 9610 1 14 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.341 3.045 19604 9611 1 14 . 1 1 128 128 ALA H H 128 7.222 7.222 7.505 -0.283 19604 9612 1 14 . 1 1 129 129 ASP N N 129 117.996 117.996 119.262 -1.266 19604 9613 1 14 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.877 -0.380 19604 9614 1 14 . 1 1 129 129 ASP CA C 129 54.336 54.336 53.961 0.375 19604 9615 1 14 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.646 1.036 19604 9616 1 14 . 1 1 129 129 ASP H H 129 7.947 7.947 8.048 -0.101 19604 9617 1 14 . 1 1 130 130 ILE N N 130 128.199 128.199 124.491 3.708 19604 9618 1 14 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.846 0.062 19604 9619 1 14 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.759 -0.326 19604 9620 1 14 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.589 0.149 19604 9621 1 14 . 1 1 130 130 ILE H H 130 8.399 8.399 8.132 0.267 19604 9622 1 14 . 1 1 131 131 ASP N N 131 116.628 116.628 117.689 -1.061 19604 9623 1 14 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.493 0.020 19604 9624 1 14 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.839 -0.011 19604 9625 1 14 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.361 -0.372 19604 9626 1 14 . 1 1 131 131 ASP H H 131 8.258 8.258 8.565 -0.307 19604 9627 1 14 . 1 1 132 132 GLY N N 132 108.616 108.616 108.511 0.105 19604 9628 1 14 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.032 1.495 19604 9629 1 14 . 1 1 132 132 GLY H H 132 7.559 7.559 7.680 -0.121 19604 9630 1 14 . 1 1 133 133 ASP N N 133 120.901 120.901 119.835 1.066 19604 9631 1 14 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.581 -0.103 19604 9632 1 14 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.597 0.056 19604 9633 1 14 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.418 -1.147 19604 9634 1 14 . 1 1 133 133 ASP H H 133 8.340 8.340 8.758 -0.418 19604 9635 1 14 . 1 1 134 134 GLY N N 134 112.918 112.918 108.916 4.002 19604 9636 1 14 . 1 1 134 134 GLY CA C 134 45.868 45.868 45.011 0.857 19604 9637 1 14 . 1 1 134 134 GLY H H 134 10.366 10.366 8.830 1.536 19604 9638 1 14 . 1 1 135 135 GLN N N 135 115.297 115.297 117.842 -2.545 19604 9639 1 14 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.652 0.265 19604 9640 1 14 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.806 -1.579 19604 9641 1 14 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.191 -0.848 19604 9642 1 14 . 1 1 135 135 GLN H H 135 8.012 8.012 8.620 -0.608 19604 9643 1 14 . 1 1 136 136 VAL N N 136 125.463 125.463 121.822 3.641 19604 9644 1 14 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.026 0.192 19604 9645 1 14 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.246 1.417 19604 9646 1 14 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.121 1.637 19604 9647 1 14 . 1 1 136 136 VAL H H 136 9.133 9.133 8.651 0.482 19604 9648 1 14 . 1 1 137 137 ASN N N 137 129.402 129.402 126.843 2.559 19604 9649 1 14 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.568 0.731 19604 9650 1 14 . 1 1 137 137 ASN CA C 137 51.026 51.026 51.020 0.006 19604 9651 1 14 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.589 -1.304 19604 9652 1 14 . 1 1 137 137 ASN H H 137 9.634 9.634 8.110 1.524 19604 9653 1 14 . 1 1 138 138 TYR N N 138 118.585 118.585 122.050 -3.465 19604 9654 1 14 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.578 -0.236 19604 9655 1 14 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.225 -0.708 19604 9656 1 14 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.245 -0.549 19604 9657 1 14 . 1 1 138 138 TYR H H 138 8.400 8.400 8.599 -0.199 19604 9658 1 14 . 1 1 139 139 GLU N N 139 118.692 118.692 118.709 -0.017 19604 9659 1 14 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.742 -0.124 19604 9660 1 14 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.967 0.347 19604 9661 1 14 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.165 -0.165 19604 9662 1 14 . 1 1 139 139 GLU H H 139 8.095 8.095 8.652 -0.557 19604 9663 1 14 . 1 1 140 140 GLU N N 140 119.980 119.980 118.967 1.013 19604 9664 1 14 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.055 -0.150 19604 9665 1 14 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.740 -0.208 19604 9666 1 14 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.787 -0.080 19604 9667 1 14 . 1 1 140 140 GLU H H 140 8.759 8.759 8.445 0.314 19604 9668 1 14 . 1 1 141 141 PHE N N 141 123.408 123.408 121.604 1.804 19604 9669 1 14 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.140 -0.409 19604 9670 1 14 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.434 0.549 19604 9671 1 14 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.437 0.736 19604 9672 1 14 . 1 1 141 141 PHE H H 141 8.639 8.639 8.467 0.172 19604 9673 1 14 . 1 1 142 142 VAL N N 142 119.839 119.839 118.360 1.479 19604 9674 1 14 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.401 -0.357 19604 9675 1 14 . 1 1 142 142 VAL CA C 142 67.118 67.118 67.098 0.020 19604 9676 1 14 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.771 0.744 19604 9677 1 14 . 1 1 142 142 VAL H H 142 8.781 8.781 8.419 0.362 19604 9678 1 14 . 1 1 143 143 GLN N N 143 118.240 118.240 118.781 -0.541 19604 9679 1 14 . 1 1 143 143 GLN HA H 143 3.802 3.802 4.022 -0.220 19604 9680 1 14 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.372 0.445 19604 9681 1 14 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.608 -0.433 19604 9682 1 14 . 1 1 143 143 GLN H H 143 7.491 7.491 7.405 0.086 19604 9683 1 14 . 1 1 144 144 MET N N 144 116.028 116.028 118.509 -2.481 19604 9684 1 14 . 1 1 144 144 MET HA H 144 4.145 4.145 4.230 -0.085 19604 9685 1 14 . 1 1 144 144 MET CA C 144 55.939 55.939 56.908 -0.969 19604 9686 1 14 . 1 1 144 144 MET CB C 144 31.345 31.345 32.559 -1.214 19604 9687 1 14 . 1 1 144 144 MET H H 144 7.176 7.176 7.981 -0.805 19604 9688 1 14 . 1 1 145 145 MET N N 145 116.272 116.272 116.047 0.225 19604 9689 1 14 . 1 1 145 145 MET HA H 145 4.301 4.301 4.311 -0.010 19604 9690 1 14 . 1 1 145 145 MET CA C 145 55.416 55.416 57.412 -1.996 19604 9691 1 14 . 1 1 145 145 MET CB C 145 32.831 32.831 33.365 -0.534 19604 9692 1 14 . 1 1 145 145 MET H H 145 7.831 7.831 7.351 0.480 19604 9693 1 14 . 1 1 146 146 THR N N 146 110.389 110.389 114.801 -4.412 19604 9694 1 14 . 1 1 146 146 THR HA H 146 4.308 4.308 4.161 0.147 19604 9695 1 14 . 1 1 146 146 THR CA C 146 61.942 61.942 63.823 -1.881 19604 9696 1 14 . 1 1 146 146 THR CB C 146 70.244 70.244 69.464 0.780 19604 9697 1 14 . 1 1 146 146 THR H H 146 7.474 7.474 7.653 -0.179 19604 9698 1 14 . 1 1 147 147 ALA N N 147 126.864 126.864 123.602 3.262 19604 9699 1 14 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.195 0.013 19604 9700 1 14 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.654 0.344 19604 9701 1 14 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.651 -0.535 19604 9702 1 14 . 1 1 147 147 ALA H H 147 7.622 7.622 7.413 0.209 19604 9703 1 15 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.555 0.085 19604 9704 1 15 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.594 0.019 19604 9705 1 15 . 1 1 2 2 ASP CB C 2 41.351 41.351 40.564 0.787 19604 9706 1 15 . 1 1 3 3 GLN N N 3 120.300 120.300 122.778 -2.478 19604 9707 1 15 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.410 -0.037 19604 9708 1 15 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.081 0.417 19604 9709 1 15 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.192 0.587 19604 9710 1 15 . 1 1 3 3 GLN H H 3 8.388 8.388 8.271 0.117 19604 9711 1 15 . 1 1 4 4 LEU N N 4 123.525 123.525 122.361 1.164 19604 9712 1 15 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.630 0.057 19604 9713 1 15 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.307 0.052 19604 9714 1 15 . 1 1 4 4 LEU CB C 4 43.653 43.653 41.896 1.757 19604 9715 1 15 . 1 1 4 4 LEU H H 4 8.299 8.299 7.832 0.467 19604 9716 1 15 . 1 1 5 5 THR N N 5 113.299 113.299 116.076 -2.777 19604 9717 1 15 . 1 1 5 5 THR HA H 5 4.476 4.476 4.716 -0.240 19604 9718 1 15 . 1 1 5 5 THR CA C 5 60.463 60.463 60.262 0.201 19604 9719 1 15 . 1 1 5 5 THR CB C 5 71.250 71.250 70.952 0.298 19604 9720 1 15 . 1 1 5 5 THR H H 5 8.651 8.651 8.127 0.524 19604 9721 1 15 . 1 1 6 6 GLU N N 6 120.620 120.620 121.369 -0.749 19604 9722 1 15 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.989 -0.014 19604 9723 1 15 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.336 -0.401 19604 9724 1 15 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.472 -0.273 19604 9725 1 15 . 1 1 6 6 GLU H H 6 9.014 9.014 8.949 0.065 19604 9726 1 15 . 1 1 7 7 GLU N N 7 119.586 119.586 117.725 1.861 19604 9727 1 15 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.041 0.027 19604 9728 1 15 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.098 0.845 19604 9729 1 15 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.253 -0.175 19604 9730 1 15 . 1 1 7 7 GLU H H 7 8.713 8.713 8.595 0.118 19604 9731 1 15 . 1 1 8 8 GLN N N 8 120.413 120.413 119.204 1.209 19604 9732 1 15 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.019 -0.194 19604 9733 1 15 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.074 0.701 19604 9734 1 15 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.675 0.785 19604 9735 1 15 . 1 1 8 8 GLN H H 8 7.719 7.719 7.542 0.177 19604 9736 1 15 . 1 1 9 9 ILE N N 9 119.362 119.362 120.744 -1.382 19604 9737 1 15 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.890 -0.222 19604 9738 1 15 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.103 1.132 19604 9739 1 15 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.899 -0.078 19604 9740 1 15 . 1 1 9 9 ILE H H 9 8.267 8.267 8.694 -0.427 19604 9741 1 15 . 1 1 10 10 ALA N N 10 121.321 121.321 121.749 -0.428 19604 9742 1 15 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.002 0.116 19604 9743 1 15 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.730 -0.333 19604 9744 1 15 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.948 -0.152 19604 9745 1 15 . 1 1 10 10 ALA H H 10 8.023 8.023 8.249 -0.226 19604 9746 1 15 . 1 1 11 11 GLU N N 11 119.865 119.865 118.207 1.658 19604 9747 1 15 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.107 0.034 19604 9748 1 15 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.985 0.426 19604 9749 1 15 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.317 -0.109 19604 9750 1 15 . 1 1 11 11 GLU H H 11 7.761 7.761 7.524 0.237 19604 9751 1 15 . 1 1 12 12 PHE N N 12 119.971 119.971 119.166 0.805 19604 9752 1 15 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.452 0.571 19604 9753 1 15 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.461 -1.749 19604 9754 1 15 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.467 -0.950 19604 9755 1 15 . 1 1 12 12 PHE H H 12 8.479 8.479 7.357 1.122 19604 9756 1 15 . 1 1 13 13 LYS N N 13 123.604 123.604 119.465 4.139 19604 9757 1 15 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.089 -0.115 19604 9758 1 15 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.244 -0.288 19604 9759 1 15 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.271 -0.493 19604 9760 1 15 . 1 1 13 13 LYS H H 13 9.222 9.222 8.954 0.268 19604 9761 1 15 . 1 1 14 14 GLU N N 14 120.976 120.976 118.501 2.475 19604 9762 1 15 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.180 -0.067 19604 9763 1 15 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.104 0.458 19604 9764 1 15 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.544 -0.129 19604 9765 1 15 . 1 1 14 14 GLU H H 14 7.924 7.924 7.704 0.220 19604 9766 1 15 . 1 1 15 15 ALA N N 15 122.303 122.303 122.535 -0.232 19604 9767 1 15 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.176 0.148 19604 9768 1 15 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.944 0.194 19604 9769 1 15 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.280 -0.278 19604 9770 1 15 . 1 1 15 15 ALA H H 15 7.990 7.990 7.722 0.268 19604 9771 1 15 . 1 1 16 16 PHE N N 16 119.011 119.011 118.672 0.339 19604 9772 1 15 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.643 -0.373 19604 9773 1 15 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.231 0.757 19604 9774 1 15 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.087 0.819 19604 9775 1 15 . 1 1 16 16 PHE H H 16 8.666 8.666 7.965 0.701 19604 9776 1 15 . 1 1 17 17 SER N N 17 113.988 113.988 114.051 -0.063 19604 9777 1 15 . 1 1 17 17 SER HA H 17 4.086 4.086 4.037 0.049 19604 9778 1 15 . 1 1 17 17 SER CA C 17 61.532 61.532 61.846 -0.314 19604 9779 1 15 . 1 1 17 17 SER CB C 17 62.921 62.921 63.005 -0.083 19604 9780 1 15 . 1 1 17 17 SER H H 17 8.202 8.202 7.821 0.381 19604 9781 1 15 . 1 1 18 18 LEU N N 18 120.913 120.913 119.993 0.920 19604 9782 1 15 . 1 1 18 18 LEU HA H 18 3.950 3.950 3.999 -0.049 19604 9783 1 15 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.077 0.410 19604 9784 1 15 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.889 -0.366 19604 9785 1 15 . 1 1 18 18 LEU H H 18 7.280 7.280 7.256 0.024 19604 9786 1 15 . 1 1 19 19 PHE N N 19 113.613 113.613 113.969 -0.356 19604 9787 1 15 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.187 -0.155 19604 9788 1 15 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.724 -0.318 19604 9789 1 15 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.181 2.376 19604 9790 1 15 . 1 1 19 19 PHE H H 19 7.070 7.070 7.236 -0.166 19604 9791 1 15 . 1 1 20 20 ASP N N 20 117.393 117.393 118.659 -1.266 19604 9792 1 15 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.710 -0.117 19604 9793 1 15 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.465 -0.997 19604 9794 1 15 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.306 -1.010 19604 9795 1 15 . 1 1 20 20 ASP H H 20 7.790 7.790 7.554 0.236 19604 9796 1 15 . 1 1 21 21 LYS N N 21 124.292 124.292 125.055 -0.763 19604 9797 1 15 . 1 1 21 21 LYS HA H 21 3.978 3.978 3.982 -0.004 19604 9798 1 15 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.435 -0.115 19604 9799 1 15 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.813 -0.140 19604 9800 1 15 . 1 1 21 21 LYS H H 21 7.707 7.707 8.096 -0.389 19604 9801 1 15 . 1 1 22 22 ASP N N 22 114.139 114.139 114.941 -0.802 19604 9802 1 15 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.516 0.064 19604 9803 1 15 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.624 -0.833 19604 9804 1 15 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.527 -0.962 19604 9805 1 15 . 1 1 22 22 ASP H H 22 8.025 8.025 7.879 0.146 19604 9806 1 15 . 1 1 23 23 GLY N N 23 109.378 109.378 108.727 0.651 19604 9807 1 15 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.299 0.917 19604 9808 1 15 . 1 1 23 23 GLY H H 23 7.661 7.661 7.691 -0.030 19604 9809 1 15 . 1 1 24 24 ASP N N 24 121.022 121.022 120.142 0.880 19604 9810 1 15 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.514 0.001 19604 9811 1 15 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.650 0.028 19604 9812 1 15 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.631 -1.128 19604 9813 1 15 . 1 1 24 24 ASP H H 24 8.466 8.466 8.338 0.128 19604 9814 1 15 . 1 1 25 25 GLY N N 25 112.810 112.810 109.793 3.017 19604 9815 1 15 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.225 0.121 19604 9816 1 15 . 1 1 25 25 GLY H H 25 10.507 10.507 9.173 1.334 19604 9817 1 15 . 1 1 26 26 THR N N 26 112.094 112.094 111.382 0.712 19604 9818 1 15 . 1 1 26 26 THR HA H 26 5.431 5.431 5.335 0.096 19604 9819 1 15 . 1 1 26 26 THR CA C 26 59.576 59.576 60.329 -0.753 19604 9820 1 15 . 1 1 26 26 THR CB C 26 72.730 72.730 72.026 0.704 19604 9821 1 15 . 1 1 26 26 THR H H 26 8.191 8.191 8.536 -0.345 19604 9822 1 15 . 1 1 27 27 ILE N N 27 126.447 126.447 126.729 -0.282 19604 9823 1 15 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.579 0.188 19604 9824 1 15 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.698 0.432 19604 9825 1 15 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.094 1.894 19604 9826 1 15 . 1 1 27 27 ILE H H 27 9.845 9.845 8.849 0.996 19604 9827 1 15 . 1 1 28 28 THR N N 28 116.315 116.315 117.444 -1.129 19604 9828 1 15 . 1 1 28 28 THR HA H 28 4.894 4.894 4.821 0.073 19604 9829 1 15 . 1 1 28 28 THR CA C 28 59.217 59.217 59.647 -0.430 19604 9830 1 15 . 1 1 28 28 THR CB C 28 72.480 72.480 71.688 0.792 19604 9831 1 15 . 1 1 28 28 THR H H 28 8.322 8.322 7.816 0.506 19604 9832 1 15 . 1 1 29 29 THR N N 29 112.270 112.270 112.233 0.037 19604 9833 1 15 . 1 1 29 29 THR HA H 29 3.790 3.790 4.076 -0.286 19604 9834 1 15 . 1 1 29 29 THR CA C 29 66.207 66.207 65.797 0.410 19604 9835 1 15 . 1 1 29 29 THR CB C 29 67.737 67.737 68.227 -0.490 19604 9836 1 15 . 1 1 29 29 THR H H 29 9.251 9.251 8.867 0.384 19604 9837 1 15 . 1 1 30 30 LYS N N 30 121.127 121.127 121.562 -0.435 19604 9838 1 15 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.144 -0.026 19604 9839 1 15 . 1 1 30 30 LYS CA C 30 59.257 59.257 58.812 0.445 19604 9840 1 15 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.008 0.525 19604 9841 1 15 . 1 1 30 30 LYS H H 30 7.569 7.569 7.594 -0.025 19604 9842 1 15 . 1 1 31 31 GLU N N 31 121.876 121.876 119.989 1.887 19604 9843 1 15 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.132 -0.116 19604 9844 1 15 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.060 0.397 19604 9845 1 15 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.692 -0.141 19604 9846 1 15 . 1 1 31 31 GLU H H 31 7.715 7.715 7.594 0.121 19604 9847 1 15 . 1 1 32 32 LEU N N 32 120.674 120.674 120.825 -0.151 19604 9848 1 15 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.331 -0.137 19604 9849 1 15 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.505 0.682 19604 9850 1 15 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.570 0.586 19604 9851 1 15 . 1 1 32 32 LEU H H 32 8.592 8.592 8.702 -0.110 19604 9852 1 15 . 1 1 33 33 GLY N N 33 106.859 106.859 105.855 1.004 19604 9853 1 15 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.306 0.921 19604 9854 1 15 . 1 1 33 33 GLY H H 33 8.861 8.861 8.527 0.334 19604 9855 1 15 . 1 1 34 34 THR N N 34 118.512 118.512 119.171 -0.659 19604 9856 1 15 . 1 1 34 34 THR HA H 34 3.935 3.935 4.044 -0.109 19604 9857 1 15 . 1 1 34 34 THR CA C 34 66.964 66.964 66.696 0.268 19604 9858 1 15 . 1 1 34 34 THR CB C 34 68.610 68.610 68.533 0.077 19604 9859 1 15 . 1 1 34 34 THR H H 34 7.965 7.965 7.679 0.286 19604 9860 1 15 . 1 1 35 35 VAL N N 35 122.456 122.456 121.463 0.993 19604 9861 1 15 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.602 -0.031 19604 9862 1 15 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.340 0.219 19604 9863 1 15 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.342 0.189 19604 9864 1 15 . 1 1 35 35 VAL H H 35 7.532 7.532 7.636 -0.104 19604 9865 1 15 . 1 1 36 36 MET N N 36 118.015 118.015 117.356 0.659 19604 9866 1 15 . 1 1 36 36 MET HA H 36 3.899 3.899 4.097 -0.198 19604 9867 1 15 . 1 1 36 36 MET CA C 36 60.156 60.156 59.146 1.010 19604 9868 1 15 . 1 1 36 36 MET CB C 36 31.731 31.731 32.533 -0.802 19604 9869 1 15 . 1 1 36 36 MET H H 36 8.525 8.525 7.849 0.676 19604 9870 1 15 . 1 1 37 37 ARG N N 37 119.604 119.604 119.508 0.096 19604 9871 1 15 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.389 0.392 19604 9872 1 15 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.038 0.218 19604 9873 1 15 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.627 -0.013 19604 9874 1 15 . 1 1 37 37 ARG H H 37 8.579 8.579 7.796 0.783 19604 9875 1 15 . 1 1 38 38 SER N N 38 119.543 119.543 116.210 3.333 19604 9876 1 15 . 1 1 38 38 SER HA H 38 4.396 4.396 4.287 0.109 19604 9877 1 15 . 1 1 38 38 SER CA C 38 61.758 61.758 61.000 0.758 19604 9878 1 15 . 1 1 38 38 SER CB C 38 62.691 62.691 62.918 -0.227 19604 9879 1 15 . 1 1 38 38 SER H H 38 7.939 7.939 7.861 0.078 19604 9880 1 15 . 1 1 39 39 LEU N N 39 120.454 120.454 119.233 1.221 19604 9881 1 15 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.326 0.115 19604 9882 1 15 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.504 -0.888 19604 9883 1 15 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.538 -0.408 19604 9884 1 15 . 1 1 39 39 LEU H H 39 7.394 7.394 7.660 -0.266 19604 9885 1 15 . 1 1 40 40 GLY N N 40 107.378 107.378 106.702 0.676 19604 9886 1 15 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.626 0.989 19604 9887 1 15 . 1 1 40 40 GLY H H 40 7.897 7.897 7.912 -0.015 19604 9888 1 15 . 1 1 41 41 GLN N N 41 118.330 118.330 119.934 -1.604 19604 9889 1 15 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.594 -0.093 19604 9890 1 15 . 1 1 41 41 GLN CA C 41 54.318 54.318 53.752 0.566 19604 9891 1 15 . 1 1 41 41 GLN CB C 41 30.494 30.494 31.788 -1.294 19604 9892 1 15 . 1 1 41 41 GLN H H 41 7.883 7.883 8.096 -0.213 19604 9893 1 15 . 1 1 42 42 ASN N N 42 116.488 116.488 124.890 -8.402 19604 9894 1 15 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.071 0.141 19604 9895 1 15 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.383 1.745 19604 9896 1 15 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.731 0.440 19604 9897 1 15 . 1 1 42 42 ASN H H 42 8.697 8.697 8.730 -0.033 19604 9898 1 15 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.784 0.000 19604 9899 1 15 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.755 -0.433 19604 9900 1 15 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.380 -1.102 19604 9901 1 15 . 1 1 44 44 THR N N 44 112.452 112.452 111.451 1.001 19604 9902 1 15 . 1 1 44 44 THR HA H 44 4.461 4.461 4.616 -0.155 19604 9903 1 15 . 1 1 44 44 THR CA C 44 60.411 60.411 59.851 0.560 19604 9904 1 15 . 1 1 44 44 THR CB C 44 71.068 71.068 72.410 -1.342 19604 9905 1 15 . 1 1 44 44 THR H H 44 8.678 8.678 8.131 0.547 19604 9906 1 15 . 1 1 45 45 GLU N N 45 120.954 120.954 125.405 -4.451 19604 9907 1 15 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.945 0.065 19604 9908 1 15 . 1 1 45 45 GLU CA C 45 59.883 59.883 59.692 0.191 19604 9909 1 15 . 1 1 45 45 GLU H H 45 8.803 8.803 9.095 -0.292 19604 9910 1 15 . 1 1 46 46 ALA N N 46 120.643 120.643 120.295 0.348 19604 9911 1 15 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.233 -0.116 19604 9912 1 15 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.456 0.557 19604 9913 1 15 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.157 0.017 19604 9914 1 15 . 1 1 46 46 ALA H H 46 8.272 8.272 8.247 0.025 19604 9915 1 15 . 1 1 47 47 GLU N N 47 119.059 119.059 120.367 -1.308 19604 9916 1 15 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.044 -0.009 19604 9917 1 15 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.103 0.060 19604 9918 1 15 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.800 0.126 19604 9919 1 15 . 1 1 47 47 GLU H H 47 7.686 7.686 7.688 -0.002 19604 9920 1 15 . 1 1 48 48 LEU N N 48 119.848 119.848 120.091 -0.243 19604 9921 1 15 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.932 0.093 19604 9922 1 15 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.187 -0.346 19604 9923 1 15 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.764 0.666 19604 9924 1 15 . 1 1 48 48 LEU H H 48 8.036 8.036 8.649 -0.613 19604 9925 1 15 . 1 1 49 49 GLN N N 49 118.226 118.226 118.120 0.106 19604 9926 1 15 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.965 -0.162 19604 9927 1 15 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.912 -0.351 19604 9928 1 15 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.871 0.371 19604 9929 1 15 . 1 1 49 49 GLN H H 49 8.323 8.323 7.791 0.532 19604 9930 1 15 . 1 1 50 50 ASP N N 50 119.928 119.928 120.051 -0.123 19604 9931 1 15 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.464 -0.066 19604 9932 1 15 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.827 0.782 19604 9933 1 15 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.641 -0.007 19604 9934 1 15 . 1 1 50 50 ASP H H 50 8.147 8.147 7.473 0.674 19604 9935 1 15 . 1 1 51 51 MET N N 51 117.796 117.796 117.880 -0.084 19604 9936 1 15 . 1 1 51 51 MET HA H 51 4.050 4.050 4.210 -0.160 19604 9937 1 15 . 1 1 51 51 MET CA C 51 59.555 59.555 59.069 0.485 19604 9938 1 15 . 1 1 51 51 MET CB C 51 32.846 32.846 32.559 0.288 19604 9939 1 15 . 1 1 51 51 MET H H 51 7.814 7.814 8.169 -0.355 19604 9940 1 15 . 1 1 52 52 ILE N N 52 118.474 118.474 119.397 -0.923 19604 9941 1 15 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.601 -0.002 19604 9942 1 15 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.710 -0.604 19604 9943 1 15 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.566 -0.507 19604 9944 1 15 . 1 1 52 52 ILE H H 52 7.685 7.685 8.612 -0.927 19604 9945 1 15 . 1 1 53 53 ASN N N 53 118.591 118.591 118.328 0.263 19604 9946 1 15 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.480 -0.063 19604 9947 1 15 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.843 0.062 19604 9948 1 15 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.867 0.124 19604 9949 1 15 . 1 1 53 53 ASN H H 53 8.786 8.786 8.049 0.737 19604 9950 1 15 . 1 1 54 54 GLU N N 54 115.327 115.327 117.249 -1.922 19604 9951 1 15 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.141 -0.093 19604 9952 1 15 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.741 0.336 19604 9953 1 15 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.766 1.159 19604 9954 1 15 . 1 1 54 54 GLU H H 54 7.368 7.368 7.749 -0.381 19604 9955 1 15 . 1 1 55 55 VAL N N 55 111.285 111.285 109.495 1.790 19604 9956 1 15 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.277 -0.050 19604 9957 1 15 . 1 1 55 55 VAL CA C 55 60.832 60.832 59.667 1.165 19604 9958 1 15 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.333 1.983 19604 9959 1 15 . 1 1 55 55 VAL H H 55 7.133 7.133 7.216 -0.083 19604 9960 1 15 . 1 1 56 56 ASP N N 56 121.291 121.291 121.705 -0.414 19604 9961 1 15 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.804 -0.336 19604 9962 1 15 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.307 0.393 19604 9963 1 15 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.349 0.234 19604 9964 1 15 . 1 1 56 56 ASP H H 56 7.567 7.567 7.539 0.028 19604 9965 1 15 . 1 1 57 57 ALA N N 57 131.432 131.432 130.595 0.837 19604 9966 1 15 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.171 0.058 19604 9967 1 15 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.886 0.469 19604 9968 1 15 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.886 -0.191 19604 9969 1 15 . 1 1 57 57 ALA H H 57 8.064 8.064 8.754 -0.690 19604 9970 1 15 . 1 1 58 58 ASP N N 58 114.063 114.063 116.095 -2.032 19604 9971 1 15 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.593 0.044 19604 9972 1 15 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.324 -0.556 19604 9973 1 15 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.386 -0.539 19604 9974 1 15 . 1 1 58 58 ASP H H 58 8.211 8.211 8.216 -0.005 19604 9975 1 15 . 1 1 59 59 GLY N N 59 108.646 108.646 108.875 -0.229 19604 9976 1 15 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.929 1.270 19604 9977 1 15 . 1 1 59 59 GLY H H 59 7.584 7.584 7.911 -0.327 19604 9978 1 15 . 1 1 60 60 ASN N N 60 118.886 118.886 118.436 0.450 19604 9979 1 15 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.774 -0.154 19604 9980 1 15 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.305 0.372 19604 9981 1 15 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.607 -2.028 19604 9982 1 15 . 1 1 60 60 ASN H H 60 8.162 8.162 8.705 -0.543 19604 9983 1 15 . 1 1 61 61 GLY N N 61 113.458 113.458 109.502 3.956 19604 9984 1 15 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.381 0.258 19604 9985 1 15 . 1 1 61 61 GLY H H 61 10.568 10.568 9.032 1.536 19604 9986 1 15 . 1 1 62 62 THR N N 62 108.490 108.490 110.617 -2.127 19604 9987 1 15 . 1 1 62 62 THR HA H 62 4.800 4.800 5.170 -0.370 19604 9988 1 15 . 1 1 62 62 THR CA C 62 59.327 59.327 59.745 -0.418 19604 9989 1 15 . 1 1 62 62 THR CB C 62 72.409 72.409 72.649 -0.240 19604 9990 1 15 . 1 1 62 62 THR H H 62 7.643 7.643 8.329 -0.686 19604 9991 1 15 . 1 1 63 63 ILE N N 63 123.350 123.350 122.691 0.659 19604 9992 1 15 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.746 0.468 19604 9993 1 15 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.781 -1.730 19604 9994 1 15 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.252 1.353 19604 9995 1 15 . 1 1 63 63 ILE H H 63 8.544 8.544 8.450 0.094 19604 9996 1 15 . 1 1 64 64 ASP N N 64 128.480 128.480 127.993 0.487 19604 9997 1 15 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.172 0.335 19604 9998 1 15 . 1 1 64 64 ASP CA C 64 51.985 51.985 54.239 -2.255 19604 9999 1 15 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.608 -0.406 19604 10000 1 15 . 1 1 64 64 ASP H H 64 8.902 8.902 8.793 0.109 19604 10001 1 15 . 1 1 65 65 PHE N N 65 118.622 118.622 120.624 -2.002 19604 10002 1 15 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.313 0.666 19604 10003 1 15 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.439 1.646 19604 10004 1 15 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.475 -0.573 19604 10005 1 15 . 1 1 65 65 PHE H H 65 8.967 8.967 8.561 0.406 19604 10006 1 15 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.639 0.249 19604 10007 1 15 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.886 1.964 19604 10008 1 15 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.709 0.091 19604 10009 1 15 . 1 1 67 67 GLU N N 67 118.243 118.243 119.170 -0.927 19604 10010 1 15 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.923 0.042 19604 10011 1 15 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.452 -0.407 19604 10012 1 15 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.957 0.917 19604 10013 1 15 . 1 1 67 67 GLU H H 67 8.420 8.420 8.151 0.269 19604 10014 1 15 . 1 1 68 68 PHE N N 68 124.020 124.020 119.824 4.196 19604 10015 1 15 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.275 -0.490 19604 10016 1 15 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.656 0.832 19604 10017 1 15 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.526 1.256 19604 10018 1 15 . 1 1 68 68 PHE H H 68 8.638 8.638 7.547 1.091 19604 10019 1 15 . 1 1 69 69 LEU N N 69 120.062 120.062 120.484 -0.422 19604 10020 1 15 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.757 -0.389 19604 10021 1 15 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.516 0.338 19604 10022 1 15 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.608 -0.223 19604 10023 1 15 . 1 1 69 69 LEU H H 69 8.972 8.972 7.355 1.617 19604 10024 1 15 . 1 1 70 70 THR N N 70 115.488 115.488 114.513 0.975 19604 10025 1 15 . 1 1 70 70 THR HA H 70 3.697 3.697 3.685 0.012 19604 10026 1 15 . 1 1 70 70 THR CA C 70 66.558 66.558 66.344 0.214 19604 10027 1 15 . 1 1 70 70 THR CB C 70 68.396 68.396 68.698 -0.302 19604 10028 1 15 . 1 1 70 70 THR H H 70 7.855 7.855 8.271 -0.416 19604 10029 1 15 . 1 1 71 71 MET N N 71 119.627 119.627 120.218 -0.591 19604 10030 1 15 . 1 1 71 71 MET HA H 71 3.757 3.757 3.930 -0.173 19604 10031 1 15 . 1 1 71 71 MET CA C 71 58.334 58.334 59.083 -0.749 19604 10032 1 15 . 1 1 71 71 MET CB C 71 30.736 30.736 32.245 -1.508 19604 10033 1 15 . 1 1 71 71 MET H H 71 7.155 7.155 7.279 -0.124 19604 10034 1 15 . 1 1 72 72 MET N N 72 116.046 116.046 116.532 -0.486 19604 10035 1 15 . 1 1 72 72 MET HA H 72 3.977 3.977 4.005 -0.028 19604 10036 1 15 . 1 1 72 72 MET CA C 72 55.138 55.138 57.798 -2.660 19604 10037 1 15 . 1 1 72 72 MET CB C 72 29.103 29.103 32.013 -2.910 19604 10038 1 15 . 1 1 72 72 MET H H 72 7.646 7.646 7.307 0.339 19604 10039 1 15 . 1 1 73 73 ALA N N 73 120.685 120.685 120.880 -0.195 19604 10040 1 15 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.114 0.068 19604 10041 1 15 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.233 -1.133 19604 10042 1 15 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.492 0.800 19604 10043 1 15 . 1 1 73 73 ALA H H 73 8.080 8.080 7.726 0.354 19604 10044 1 15 . 1 1 74 74 ARG N N 74 118.501 118.501 118.792 -0.291 19604 10045 1 15 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.957 0.231 19604 10046 1 15 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.987 -2.010 19604 10047 1 15 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.010 0.507 19604 10048 1 15 . 1 1 74 74 ARG H H 74 7.367 7.367 7.930 -0.563 19604 10049 1 15 . 1 1 76 76 MET HA H 76 4.413 4.413 4.162 0.251 19604 10050 1 15 . 1 1 76 76 MET CA C 76 55.804 55.804 58.041 -2.237 19604 10051 1 15 . 1 1 76 76 MET CB C 76 33.291 33.291 33.089 0.202 19604 10052 1 15 . 1 1 77 77 LYS N N 77 121.563 121.563 116.285 5.278 19604 10053 1 15 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.407 -0.086 19604 10054 1 15 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.963 0.455 19604 10055 1 15 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.882 -1.631 19604 10056 1 15 . 1 1 77 77 LYS H H 77 8.253 8.253 7.629 0.624 19604 10057 1 15 . 1 1 78 78 ASP N N 78 121.953 121.953 122.371 -0.418 19604 10058 1 15 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.779 -0.161 19604 10059 1 15 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.049 -0.194 19604 10060 1 15 . 1 1 78 78 ASP CB C 78 41.116 41.116 42.785 -1.669 19604 10061 1 15 . 1 1 78 78 ASP H H 78 8.362 8.362 8.596 -0.234 19604 10062 1 15 . 1 1 79 79 THR N N 79 113.276 113.276 114.370 -1.094 19604 10063 1 15 . 1 1 79 79 THR HA H 79 4.305 4.305 4.500 -0.196 19604 10064 1 15 . 1 1 79 79 THR CA C 79 62.124 62.124 61.131 0.993 19604 10065 1 15 . 1 1 79 79 THR CB C 79 69.634 69.634 70.287 -0.653 19604 10066 1 15 . 1 1 79 79 THR H H 79 8.014 8.014 8.043 -0.029 19604 10067 1 15 . 1 1 80 80 ASP N N 80 122.850 122.850 121.683 1.167 19604 10068 1 15 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.429 0.246 19604 10069 1 15 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.699 -1.044 19604 10070 1 15 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.620 0.804 19604 10071 1 15 . 1 1 80 80 ASP H H 80 8.316 8.316 8.807 -0.491 19604 10072 1 15 . 1 1 81 81 SER N N 81 116.864 116.864 114.909 1.955 19604 10073 1 15 . 1 1 81 81 SER HA H 81 4.429 4.429 4.276 0.153 19604 10074 1 15 . 1 1 81 81 SER CA C 81 59.337 59.337 60.741 -1.404 19604 10075 1 15 . 1 1 81 81 SER CB C 81 63.672 63.672 63.355 0.317 19604 10076 1 15 . 1 1 81 81 SER H H 81 8.391 8.391 8.473 -0.082 19604 10077 1 15 . 1 1 82 82 GLU N N 82 122.561 122.561 121.996 0.565 19604 10078 1 15 . 1 1 82 82 GLU HA H 82 4.073 4.073 3.856 0.217 19604 10079 1 15 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.981 -0.802 19604 10080 1 15 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.405 0.107 19604 10081 1 15 . 1 1 82 82 GLU H H 82 8.479 8.479 8.648 -0.169 19604 10082 1 15 . 1 1 83 83 GLU N N 83 119.348 119.348 118.533 0.815 19604 10083 1 15 . 1 1 83 83 GLU HA H 83 4.044 4.044 3.984 0.060 19604 10084 1 15 . 1 1 83 83 GLU CA C 83 59.647 59.647 60.154 -0.507 19604 10085 1 15 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.182 0.349 19604 10086 1 15 . 1 1 83 83 GLU H H 83 8.279 8.279 8.700 -0.421 19604 10087 1 15 . 1 1 84 84 GLU N N 84 118.810 118.810 118.480 0.330 19604 10088 1 15 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.143 -0.030 19604 10089 1 15 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.126 0.352 19604 10090 1 15 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.221 0.448 19604 10091 1 15 . 1 1 84 84 GLU H H 84 8.062 8.062 7.792 0.270 19604 10092 1 15 . 1 1 85 85 ILE N N 85 122.019 122.019 121.244 0.775 19604 10093 1 15 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.891 0.027 19604 10094 1 15 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.657 -0.330 19604 10095 1 15 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.861 -0.433 19604 10096 1 15 . 1 1 85 85 ILE H H 85 8.008 8.008 7.715 0.293 19604 10097 1 15 . 1 1 86 86 ARG N N 86 121.851 121.851 120.173 1.678 19604 10098 1 15 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.207 -0.041 19604 10099 1 15 . 1 1 86 86 ARG CA C 86 60.026 60.026 60.158 -0.132 19604 10100 1 15 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.232 -0.265 19604 10101 1 15 . 1 1 86 86 ARG H H 86 8.446 8.446 8.360 0.086 19604 10102 1 15 . 1 1 87 87 GLU N N 87 118.621 118.621 118.964 -0.343 19604 10103 1 15 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.203 -0.093 19604 10104 1 15 . 1 1 87 87 GLU CA C 87 59.107 59.107 58.695 0.412 19604 10105 1 15 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.180 0.246 19604 10106 1 15 . 1 1 87 87 GLU H H 87 8.149 8.149 8.239 -0.090 19604 10107 1 15 . 1 1 88 88 ALA N N 88 121.741 121.741 122.613 -0.872 19604 10108 1 15 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.934 0.091 19604 10109 1 15 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.547 0.439 19604 10110 1 15 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.467 -0.743 19604 10111 1 15 . 1 1 88 88 ALA H H 88 7.880 7.880 8.094 -0.214 19604 10112 1 15 . 1 1 89 89 PHE N N 89 118.057 118.057 119.865 -1.808 19604 10113 1 15 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.962 -0.813 19604 10114 1 15 . 1 1 89 89 PHE CA C 89 62.366 62.366 60.941 1.425 19604 10115 1 15 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.330 0.007 19604 10116 1 15 . 1 1 89 89 PHE H H 89 8.463 8.463 8.725 -0.262 19604 10117 1 15 . 1 1 90 90 ARG N N 90 115.723 115.723 117.890 -2.167 19604 10118 1 15 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.918 -0.026 19604 10119 1 15 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.960 -0.072 19604 10120 1 15 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.553 0.853 19604 10121 1 15 . 1 1 90 90 ARG H H 90 7.775 7.775 7.607 0.168 19604 10122 1 15 . 1 1 91 91 VAL N N 91 118.161 118.161 118.310 -0.149 19604 10123 1 15 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.727 -0.203 19604 10124 1 15 . 1 1 91 91 VAL CA C 91 65.596 65.596 64.912 0.684 19604 10125 1 15 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.515 0.029 19604 10126 1 15 . 1 1 91 91 VAL H H 91 7.484 7.484 7.019 0.465 19604 10127 1 15 . 1 1 92 92 PHE N N 92 117.398 117.398 114.996 2.402 19604 10128 1 15 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.264 0.014 19604 10129 1 15 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.872 0.809 19604 10130 1 15 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.492 1.363 19604 10131 1 15 . 1 1 92 92 PHE H H 92 7.544 7.544 7.105 0.439 19604 10132 1 15 . 1 1 93 93 ASP N N 93 117.503 117.503 119.341 -1.838 19604 10133 1 15 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.432 0.109 19604 10134 1 15 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.489 -1.307 19604 10135 1 15 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.732 -1.305 19604 10136 1 15 . 1 1 93 93 ASP H H 93 7.963 7.963 7.907 0.056 19604 10137 1 15 . 1 1 94 94 LYS N N 94 125.976 125.976 124.445 1.531 19604 10138 1 15 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.116 -0.210 19604 10139 1 15 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.866 1.196 19604 10140 1 15 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.668 0.365 19604 10141 1 15 . 1 1 94 94 LYS H H 94 7.585 7.585 7.971 -0.386 19604 10142 1 15 . 1 1 95 95 ASP N N 95 114.100 114.100 115.047 -0.947 19604 10143 1 15 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.486 0.068 19604 10144 1 15 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.728 -0.662 19604 10145 1 15 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.296 -0.547 19604 10146 1 15 . 1 1 95 95 ASP H H 95 8.186 8.186 7.873 0.313 19604 10147 1 15 . 1 1 96 96 GLY N N 96 109.383 109.383 108.101 1.282 19604 10148 1 15 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.094 1.054 19604 10149 1 15 . 1 1 96 96 GLY H H 96 7.809 7.809 7.714 0.095 19604 10150 1 15 . 1 1 97 97 ASN N N 97 119.744 119.744 119.258 0.486 19604 10151 1 15 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.654 -0.008 19604 10152 1 15 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.770 -0.115 19604 10153 1 15 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.913 -0.725 19604 10154 1 15 . 1 1 97 97 ASN H H 97 8.336 8.336 8.520 -0.184 19604 10155 1 15 . 1 1 98 98 GLY N N 98 112.937 112.937 107.322 5.615 19604 10156 1 15 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.479 -0.447 19604 10157 1 15 . 1 1 98 98 GLY H H 98 10.653 10.653 8.586 2.067 19604 10158 1 15 . 1 1 99 99 TYR N N 99 115.956 115.956 117.763 -1.807 19604 10159 1 15 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.194 -0.133 19604 10160 1 15 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.287 -1.098 19604 10161 1 15 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.701 0.343 19604 10162 1 15 . 1 1 99 99 TYR H H 99 7.630 7.630 8.448 -0.818 19604 10163 1 15 . 1 1 100 100 ILE N N 100 127.360 127.360 123.657 3.703 19604 10164 1 15 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.797 -0.013 19604 10165 1 15 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.056 0.963 19604 10166 1 15 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.457 -1.472 19604 10167 1 15 . 1 1 100 100 ILE H H 100 10.174 10.174 9.239 0.935 19604 10168 1 15 . 1 1 101 101 SER N N 101 124.117 124.117 122.430 1.687 19604 10169 1 15 . 1 1 101 101 SER HA H 101 4.885 4.885 4.953 -0.068 19604 10170 1 15 . 1 1 101 101 SER CA C 101 55.722 55.722 55.565 0.157 19604 10171 1 15 . 1 1 101 101 SER CB C 101 66.631 66.631 66.294 0.337 19604 10172 1 15 . 1 1 101 101 SER H H 101 8.977 8.977 8.094 0.883 19604 10173 1 15 . 1 1 102 102 ALA N N 102 123.057 123.057 124.274 -1.217 19604 10174 1 15 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.014 -0.090 19604 10175 1 15 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.399 0.555 19604 10176 1 15 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.381 -0.490 19604 10177 1 15 . 1 1 102 102 ALA H H 102 9.261 9.261 9.136 0.125 19604 10178 1 15 . 1 1 103 103 ALA N N 103 118.685 118.685 120.476 -1.791 19604 10179 1 15 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.052 -0.028 19604 10180 1 15 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.619 0.600 19604 10181 1 15 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.609 -0.294 19604 10182 1 15 . 1 1 103 103 ALA H H 103 8.271 8.271 7.633 0.638 19604 10183 1 15 . 1 1 104 104 GLU N N 104 119.737 119.737 119.069 0.668 19604 10184 1 15 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.052 -0.015 19604 10185 1 15 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.837 0.413 19604 10186 1 15 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.765 -0.549 19604 10187 1 15 . 1 1 104 104 GLU H H 104 7.857 7.857 7.428 0.429 19604 10188 1 15 . 1 1 105 105 LEU N N 105 122.037 122.037 120.828 1.209 19604 10189 1 15 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.864 0.172 19604 10190 1 15 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.019 0.033 19604 10191 1 15 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.951 0.163 19604 10192 1 15 . 1 1 105 105 LEU H H 105 8.685 8.685 8.666 0.019 19604 10193 1 15 . 1 1 106 106 ARG N N 106 118.484 118.484 117.170 1.314 19604 10194 1 15 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.832 -0.124 19604 10195 1 15 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.527 0.503 19604 10196 1 15 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.986 0.331 19604 10197 1 15 . 1 1 106 106 ARG H H 106 8.682 8.682 7.854 0.828 19604 10198 1 15 . 1 1 107 107 HIS N N 107 118.917 118.917 118.462 0.455 19604 10199 1 15 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.469 -0.173 19604 10200 1 15 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.201 0.641 19604 10201 1 15 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.703 0.873 19604 10202 1 15 . 1 1 107 107 HIS H H 107 7.803 7.803 7.868 -0.065 19604 10203 1 15 . 1 1 108 108 VAL N N 108 119.662 119.662 119.523 0.139 19604 10204 1 15 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.610 -0.152 19604 10205 1 15 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.694 0.758 19604 10206 1 15 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.530 0.063 19604 10207 1 15 . 1 1 108 108 VAL H H 108 7.887 7.887 7.806 0.081 19604 10208 1 15 . 1 1 109 109 MET N N 109 115.981 115.981 118.830 -2.849 19604 10209 1 15 . 1 1 109 109 MET HA H 109 4.296 4.296 4.264 0.032 19604 10210 1 15 . 1 1 109 109 MET CA C 109 57.062 57.062 57.810 -0.748 19604 10211 1 15 . 1 1 109 109 MET H H 109 8.128 8.128 7.699 0.429 19604 10212 1 15 . 1 1 110 110 THR N N 110 116.866 116.866 114.346 2.520 19604 10213 1 15 . 1 1 110 110 THR HA H 110 4.080 4.080 3.949 0.131 19604 10214 1 15 . 1 1 110 110 THR CA C 110 66.402 66.402 65.638 0.764 19604 10215 1 15 . 1 1 110 110 THR CB C 110 68.574 68.574 67.790 0.784 19604 10216 1 15 . 1 1 110 110 THR H H 110 8.302 8.302 8.023 0.279 19604 10217 1 15 . 1 1 111 111 ASN N N 111 122.811 122.811 119.229 3.582 19604 10218 1 15 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.536 -0.091 19604 10219 1 15 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.971 0.840 19604 10220 1 15 . 1 1 111 111 ASN CB C 111 37.975 37.975 37.940 0.035 19604 10221 1 15 . 1 1 111 111 ASN H H 111 7.849 7.849 7.520 0.329 19604 10222 1 15 . 1 1 112 112 LEU N N 112 118.869 118.869 118.826 0.043 19604 10223 1 15 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.261 0.084 19604 10224 1 15 . 1 1 112 112 LEU CA C 112 55.091 55.091 56.236 -1.145 19604 10225 1 15 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.652 -0.572 19604 10226 1 15 . 1 1 112 112 LEU H H 112 7.666 7.666 7.479 0.187 19604 10227 1 15 . 1 1 113 113 GLY N N 113 107.124 107.124 106.416 0.708 19604 10228 1 15 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.513 0.903 19604 10229 1 15 . 1 1 113 113 GLY H H 113 7.818 7.818 7.672 0.146 19604 10230 1 15 . 1 1 114 114 GLU N N 114 120.113 120.113 120.550 -0.437 19604 10231 1 15 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.531 -0.104 19604 10232 1 15 . 1 1 114 114 GLU CA C 114 54.596 54.596 53.972 0.624 19604 10233 1 15 . 1 1 114 114 GLU CB C 114 30.710 30.710 30.931 -0.221 19604 10234 1 15 . 1 1 114 114 GLU H H 114 7.895 7.895 7.880 0.015 19604 10235 1 15 . 1 1 115 115 LYS N N 115 124.920 124.920 126.194 -1.274 19604 10236 1 15 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.277 0.103 19604 10237 1 15 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.744 -1.351 19604 10238 1 15 . 1 1 115 115 LYS CB C 115 32.045 32.045 31.504 0.541 19604 10239 1 15 . 1 1 115 115 LYS H H 115 8.583 8.583 8.597 -0.014 19604 10240 1 15 . 1 1 116 116 LEU N N 116 124.979 124.979 126.720 -1.741 19604 10241 1 15 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.730 0.037 19604 10242 1 15 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.844 0.237 19604 10243 1 15 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.414 -0.882 19604 10244 1 15 . 1 1 116 116 LEU H H 116 8.082 8.082 8.141 -0.059 19604 10245 1 15 . 1 1 117 117 THR N N 117 114.448 114.448 111.086 3.362 19604 10246 1 15 . 1 1 117 117 THR HA H 117 4.452 4.452 4.591 -0.139 19604 10247 1 15 . 1 1 117 117 THR CA C 117 60.690 60.690 60.159 0.531 19604 10248 1 15 . 1 1 117 117 THR CB C 117 71.051 71.051 72.009 -0.958 19604 10249 1 15 . 1 1 117 117 THR H H 117 9.172 9.172 8.009 1.163 19604 10250 1 15 . 1 1 118 118 ASP N N 118 121.175 121.175 120.563 0.612 19604 10251 1 15 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.299 -0.086 19604 10252 1 15 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.915 -0.923 19604 10253 1 15 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.736 -1.066 19604 10254 1 15 . 1 1 118 118 ASP H H 118 8.889 8.889 8.756 0.133 19604 10255 1 15 . 1 1 119 119 GLU N N 119 119.386 119.386 119.182 0.204 19604 10256 1 15 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.093 -0.005 19604 10257 1 15 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.786 1.227 19604 10258 1 15 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.557 -0.385 19604 10259 1 15 . 1 1 119 119 GLU H H 119 8.665 8.665 8.250 0.415 19604 10260 1 15 . 1 1 120 120 GLU N N 120 120.564 120.564 119.565 0.999 19604 10261 1 15 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.097 -0.115 19604 10262 1 15 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.116 0.136 19604 10263 1 15 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.486 1.274 19604 10264 1 15 . 1 1 120 120 GLU H H 120 7.715 7.715 7.419 0.296 19604 10265 1 15 . 1 1 121 121 VAL N N 121 120.955 120.955 120.139 0.816 19604 10266 1 15 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.630 -0.174 19604 10267 1 15 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.311 0.570 19604 10268 1 15 . 1 1 121 121 VAL CB C 121 31.330 31.330 30.887 0.443 19604 10269 1 15 . 1 1 121 121 VAL H H 121 8.050 8.050 8.256 -0.206 19604 10270 1 15 . 1 1 122 122 ASP N N 122 120.016 120.016 119.896 0.120 19604 10271 1 15 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.257 0.106 19604 10272 1 15 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.809 -0.095 19604 10273 1 15 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.690 -0.237 19604 10274 1 15 . 1 1 122 122 ASP H H 122 7.980 7.980 7.770 0.210 19604 10275 1 15 . 1 1 123 123 GLU N N 123 119.913 119.913 119.009 0.904 19604 10276 1 15 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.042 0.003 19604 10277 1 15 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.763 0.542 19604 10278 1 15 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.317 -0.038 19604 10279 1 15 . 1 1 123 123 GLU H H 123 8.033 8.033 7.809 0.224 19604 10280 1 15 . 1 1 124 124 MET N N 124 119.642 119.642 118.427 1.215 19604 10281 1 15 . 1 1 124 124 MET HA H 124 4.175 4.175 4.189 -0.014 19604 10282 1 15 . 1 1 124 124 MET CA C 124 60.420 60.420 59.245 1.175 19604 10283 1 15 . 1 1 124 124 MET CB C 124 33.408 33.408 32.842 0.566 19604 10284 1 15 . 1 1 124 124 MET H H 124 7.930 7.930 7.750 0.180 19604 10285 1 15 . 1 1 125 125 ILE N N 125 119.663 119.663 119.453 0.210 19604 10286 1 15 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.738 -0.029 19604 10287 1 15 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.161 0.178 19604 10288 1 15 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.573 -0.238 19604 10289 1 15 . 1 1 125 125 ILE H H 125 8.147 8.147 8.029 0.118 19604 10290 1 15 . 1 1 126 126 ARG N N 126 118.998 118.998 119.033 -0.035 19604 10291 1 15 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.956 0.116 19604 10292 1 15 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.436 0.392 19604 10293 1 15 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.217 0.114 19604 10294 1 15 . 1 1 126 126 ARG H H 126 8.431 8.431 8.472 -0.041 19604 10295 1 15 . 1 1 127 127 GLU N N 127 116.058 116.058 118.444 -2.386 19604 10296 1 15 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.167 -0.183 19604 10297 1 15 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.650 0.155 19604 10298 1 15 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.850 -0.044 19604 10299 1 15 . 1 1 127 127 GLU H H 127 7.899 7.899 7.697 0.202 19604 10300 1 15 . 1 1 128 128 ALA N N 128 117.702 117.702 119.611 -1.909 19604 10301 1 15 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.136 0.317 19604 10302 1 15 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.482 -1.762 19604 10303 1 15 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.276 3.110 19604 10304 1 15 . 1 1 128 128 ALA H H 128 7.222 7.222 7.523 -0.301 19604 10305 1 15 . 1 1 129 129 ASP N N 129 117.996 117.996 119.442 -1.446 19604 10306 1 15 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.791 -0.294 19604 10307 1 15 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.034 0.302 19604 10308 1 15 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.652 1.030 19604 10309 1 15 . 1 1 129 129 ASP H H 129 7.947 7.947 8.047 -0.100 19604 10310 1 15 . 1 1 130 130 ILE N N 130 128.199 128.199 124.130 4.069 19604 10311 1 15 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.863 0.045 19604 10312 1 15 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.491 -0.058 19604 10313 1 15 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.546 0.192 19604 10314 1 15 . 1 1 130 130 ILE H H 130 8.399 8.399 8.147 0.252 19604 10315 1 15 . 1 1 131 131 ASP N N 131 116.628 116.628 117.554 -0.926 19604 10316 1 15 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.503 0.010 19604 10317 1 15 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.761 0.067 19604 10318 1 15 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.404 -0.415 19604 10319 1 15 . 1 1 131 131 ASP H H 131 8.258 8.258 7.914 0.344 19604 10320 1 15 . 1 1 132 132 GLY N N 132 108.616 108.616 108.537 0.079 19604 10321 1 15 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.054 1.473 19604 10322 1 15 . 1 1 132 132 GLY H H 132 7.559 7.559 7.696 -0.137 19604 10323 1 15 . 1 1 133 133 ASP N N 133 120.901 120.901 119.838 1.063 19604 10324 1 15 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.564 -0.086 19604 10325 1 15 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.625 0.028 19604 10326 1 15 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.376 -1.105 19604 10327 1 15 . 1 1 133 133 ASP H H 133 8.340 8.340 8.722 -0.382 19604 10328 1 15 . 1 1 134 134 GLY N N 134 112.918 112.918 109.022 3.896 19604 10329 1 15 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.921 0.947 19604 10330 1 15 . 1 1 134 134 GLY H H 134 10.366 10.366 8.833 1.533 19604 10331 1 15 . 1 1 135 135 GLN N N 135 115.297 115.297 117.434 -2.137 19604 10332 1 15 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.681 0.236 19604 10333 1 15 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.896 -1.669 19604 10334 1 15 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.511 -1.169 19604 10335 1 15 . 1 1 135 135 GLN H H 135 8.012 8.012 8.636 -0.624 19604 10336 1 15 . 1 1 136 136 VAL N N 136 125.463 125.463 121.700 3.763 19604 10337 1 15 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.911 0.307 19604 10338 1 15 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.247 1.416 19604 10339 1 15 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.006 1.752 19604 10340 1 15 . 1 1 136 136 VAL H H 136 9.133 9.133 8.586 0.547 19604 10341 1 15 . 1 1 137 137 ASN N N 137 129.402 129.402 126.370 3.032 19604 10342 1 15 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.538 0.761 19604 10343 1 15 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.715 0.311 19604 10344 1 15 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.809 -1.524 19604 10345 1 15 . 1 1 137 137 ASN H H 137 9.634 9.634 8.223 1.411 19604 10346 1 15 . 1 1 138 138 TYR N N 138 118.585 118.585 122.420 -3.835 19604 10347 1 15 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.455 -0.113 19604 10348 1 15 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.219 -0.702 19604 10349 1 15 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.396 -0.700 19604 10350 1 15 . 1 1 138 138 TYR H H 138 8.400 8.400 8.373 0.027 19604 10351 1 15 . 1 1 139 139 GLU N N 139 118.692 118.692 118.499 0.193 19604 10352 1 15 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.746 -0.128 19604 10353 1 15 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.859 0.454 19604 10354 1 15 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.175 -0.175 19604 10355 1 15 . 1 1 139 139 GLU H H 139 8.095 8.095 8.705 -0.610 19604 10356 1 15 . 1 1 140 140 GLU N N 140 119.980 119.980 119.171 0.809 19604 10357 1 15 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.071 -0.166 19604 10358 1 15 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.895 -0.363 19604 10359 1 15 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.758 -0.051 19604 10360 1 15 . 1 1 140 140 GLU H H 140 8.759 8.759 8.246 0.513 19604 10361 1 15 . 1 1 141 141 PHE N N 141 123.408 123.408 121.500 1.908 19604 10362 1 15 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.143 -0.412 19604 10363 1 15 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.209 0.774 19604 10364 1 15 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.129 1.044 19604 10365 1 15 . 1 1 141 141 PHE H H 141 8.639 8.639 8.488 0.151 19604 10366 1 15 . 1 1 142 142 VAL N N 142 119.839 119.839 118.928 0.911 19604 10367 1 15 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.198 -0.154 19604 10368 1 15 . 1 1 142 142 VAL CA C 142 67.118 67.118 65.949 1.169 19604 10369 1 15 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.253 0.262 19604 10370 1 15 . 1 1 142 142 VAL H H 142 8.781 8.781 8.495 0.286 19604 10371 1 15 . 1 1 143 143 GLN N N 143 118.240 118.240 118.709 -0.469 19604 10372 1 15 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.958 -0.156 19604 10373 1 15 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.188 0.629 19604 10374 1 15 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.340 -0.165 19604 10375 1 15 . 1 1 143 143 GLN H H 143 7.491 7.491 7.342 0.149 19604 10376 1 15 . 1 1 144 144 MET N N 144 116.028 116.028 118.274 -2.246 19604 10377 1 15 . 1 1 144 144 MET HA H 144 4.145 4.145 4.169 -0.024 19604 10378 1 15 . 1 1 144 144 MET CA C 144 55.939 55.939 57.398 -1.460 19604 10379 1 15 . 1 1 144 144 MET CB C 144 31.345 31.345 32.587 -1.242 19604 10380 1 15 . 1 1 144 144 MET H H 144 7.176 7.176 7.906 -0.730 19604 10381 1 15 . 1 1 145 145 MET N N 145 116.272 116.272 117.742 -1.470 19604 10382 1 15 . 1 1 145 145 MET HA H 145 4.301 4.301 4.235 0.066 19604 10383 1 15 . 1 1 145 145 MET CA C 145 55.416 55.416 57.650 -2.234 19604 10384 1 15 . 1 1 145 145 MET CB C 145 32.831 32.831 33.390 -0.559 19604 10385 1 15 . 1 1 145 145 MET H H 145 7.831 7.831 7.708 0.123 19604 10386 1 15 . 1 1 146 146 THR N N 146 110.389 110.389 113.378 -2.989 19604 10387 1 15 . 1 1 146 146 THR HA H 146 4.308 4.308 4.370 -0.062 19604 10388 1 15 . 1 1 146 146 THR CA C 146 61.942 61.942 61.646 0.296 19604 10389 1 15 . 1 1 146 146 THR CB C 146 70.244 70.244 68.962 1.282 19604 10390 1 15 . 1 1 146 146 THR H H 146 7.474 7.474 7.587 -0.113 19604 10391 1 15 . 1 1 147 147 ALA N N 147 126.864 126.864 125.088 1.776 19604 10392 1 15 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.078 0.130 19604 10393 1 15 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.482 0.516 19604 10394 1 15 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.264 -0.148 19604 10395 1 15 . 1 1 147 147 ALA H H 147 7.622 7.622 7.035 0.587 19604 10396 1 16 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.851 -0.211 19604 10397 1 16 . 1 1 2 2 ASP CA C 2 54.613 54.613 53.161 1.452 19604 10398 1 16 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.744 -0.393 19604 10399 1 16 . 1 1 3 3 GLN N N 3 120.300 120.300 118.788 1.512 19604 10400 1 16 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.351 0.022 19604 10401 1 16 . 1 1 3 3 GLN CA C 3 55.498 55.498 56.456 -0.958 19604 10402 1 16 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.518 0.260 19604 10403 1 16 . 1 1 3 3 GLN H H 3 8.388 8.388 8.473 -0.085 19604 10404 1 16 . 1 1 4 4 LEU N N 4 123.525 123.525 118.745 4.780 19604 10405 1 16 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.587 0.100 19604 10406 1 16 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.424 -0.065 19604 10407 1 16 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.652 0.001 19604 10408 1 16 . 1 1 4 4 LEU H H 4 8.299 8.299 7.899 0.400 19604 10409 1 16 . 1 1 5 5 THR N N 5 113.299 113.299 112.615 0.684 19604 10410 1 16 . 1 1 5 5 THR HA H 5 4.476 4.476 4.513 -0.037 19604 10411 1 16 . 1 1 5 5 THR CA C 5 60.463 60.463 60.237 0.226 19604 10412 1 16 . 1 1 5 5 THR CB C 5 71.250 71.250 71.615 -0.365 19604 10413 1 16 . 1 1 5 5 THR H H 5 8.651 8.651 7.952 0.699 19604 10414 1 16 . 1 1 6 6 GLU N N 6 120.620 120.620 121.424 -0.804 19604 10415 1 16 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.055 -0.080 19604 10416 1 16 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.210 -0.275 19604 10417 1 16 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.588 -0.389 19604 10418 1 16 . 1 1 6 6 GLU H H 6 9.014 9.014 8.843 0.171 19604 10419 1 16 . 1 1 7 7 GLU N N 7 119.586 119.586 118.121 1.465 19604 10420 1 16 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.019 0.049 19604 10421 1 16 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.209 0.734 19604 10422 1 16 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.306 -0.228 19604 10423 1 16 . 1 1 7 7 GLU H H 7 8.713 8.713 8.317 0.396 19604 10424 1 16 . 1 1 8 8 GLN N N 8 120.413 120.413 119.159 1.254 19604 10425 1 16 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.002 -0.177 19604 10426 1 16 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.236 0.539 19604 10427 1 16 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.646 0.814 19604 10428 1 16 . 1 1 8 8 GLN H H 8 7.719 7.719 7.597 0.122 19604 10429 1 16 . 1 1 9 9 ILE N N 9 119.362 119.362 120.658 -1.296 19604 10430 1 16 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.906 -0.238 19604 10431 1 16 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.937 1.298 19604 10432 1 16 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.932 -0.111 19604 10433 1 16 . 1 1 9 9 ILE H H 9 8.267 8.267 8.537 -0.270 19604 10434 1 16 . 1 1 10 10 ALA N N 10 121.321 121.321 121.492 -0.171 19604 10435 1 16 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.046 0.072 19604 10436 1 16 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.344 0.053 19604 10437 1 16 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.993 -0.197 19604 10438 1 16 . 1 1 10 10 ALA H H 10 8.023 8.023 8.375 -0.352 19604 10439 1 16 . 1 1 11 11 GLU N N 11 119.865 119.865 119.185 0.680 19604 10440 1 16 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.132 0.009 19604 10441 1 16 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.942 0.469 19604 10442 1 16 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.393 -0.185 19604 10443 1 16 . 1 1 11 11 GLU H H 11 7.761 7.761 7.572 0.189 19604 10444 1 16 . 1 1 12 12 PHE N N 12 119.971 119.971 119.128 0.843 19604 10445 1 16 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.501 0.522 19604 10446 1 16 . 1 1 12 12 PHE CA C 12 58.712 58.712 59.719 -1.007 19604 10447 1 16 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.565 -1.048 19604 10448 1 16 . 1 1 12 12 PHE H H 12 8.479 8.479 7.498 0.981 19604 10449 1 16 . 1 1 13 13 LYS N N 13 123.604 123.604 120.735 2.869 19604 10450 1 16 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.140 -0.166 19604 10451 1 16 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.410 -0.454 19604 10452 1 16 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.455 -0.677 19604 10453 1 16 . 1 1 13 13 LYS H H 13 9.222 9.222 8.773 0.449 19604 10454 1 16 . 1 1 14 14 GLU N N 14 120.976 120.976 118.076 2.900 19604 10455 1 16 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.120 -0.007 19604 10456 1 16 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.092 0.470 19604 10457 1 16 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.527 -0.112 19604 10458 1 16 . 1 1 14 14 GLU H H 14 7.924 7.924 7.915 0.009 19604 10459 1 16 . 1 1 15 15 ALA N N 15 122.303 122.303 121.701 0.602 19604 10460 1 16 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.247 0.077 19604 10461 1 16 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.920 0.218 19604 10462 1 16 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.536 -0.534 19604 10463 1 16 . 1 1 15 15 ALA H H 15 7.990 7.990 7.820 0.170 19604 10464 1 16 . 1 1 16 16 PHE N N 16 119.011 119.011 119.649 -0.638 19604 10465 1 16 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.662 -0.392 19604 10466 1 16 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.029 0.959 19604 10467 1 16 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.075 0.831 19604 10468 1 16 . 1 1 16 16 PHE H H 16 8.666 8.666 7.788 0.878 19604 10469 1 16 . 1 1 17 17 SER N N 17 113.988 113.988 113.057 0.931 19604 10470 1 16 . 1 1 17 17 SER HA H 17 4.086 4.086 4.128 -0.042 19604 10471 1 16 . 1 1 17 17 SER CA C 17 61.532 61.532 61.964 -0.432 19604 10472 1 16 . 1 1 17 17 SER CB C 17 62.921 62.921 63.074 -0.152 19604 10473 1 16 . 1 1 17 17 SER H H 17 8.202 8.202 7.960 0.242 19604 10474 1 16 . 1 1 18 18 LEU N N 18 120.913 120.913 119.614 1.299 19604 10475 1 16 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.026 -0.076 19604 10476 1 16 . 1 1 18 18 LEU CA C 18 57.487 57.487 56.821 0.666 19604 10477 1 16 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.910 -0.388 19604 10478 1 16 . 1 1 18 18 LEU H H 18 7.280 7.280 7.197 0.083 19604 10479 1 16 . 1 1 19 19 PHE N N 19 113.613 113.613 114.503 -0.890 19604 10480 1 16 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.215 -0.183 19604 10481 1 16 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.566 -0.160 19604 10482 1 16 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.403 2.154 19604 10483 1 16 . 1 1 19 19 PHE H H 19 7.070 7.070 7.286 -0.216 19604 10484 1 16 . 1 1 20 20 ASP N N 20 117.393 117.393 119.684 -2.291 19604 10485 1 16 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.362 0.231 19604 10486 1 16 . 1 1 20 20 ASP CA C 20 52.468 52.468 54.395 -1.927 19604 10487 1 16 . 1 1 20 20 ASP CB C 20 39.296 39.296 39.898 -0.602 19604 10488 1 16 . 1 1 20 20 ASP H H 20 7.790 7.790 7.921 -0.131 19604 10489 1 16 . 1 1 21 21 LYS N N 21 124.292 124.292 123.914 0.378 19604 10490 1 16 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.027 -0.049 19604 10491 1 16 . 1 1 21 21 LYS CA C 21 58.320 58.320 57.880 0.440 19604 10492 1 16 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.553 0.120 19604 10493 1 16 . 1 1 21 21 LYS H H 21 7.707 7.707 8.073 -0.366 19604 10494 1 16 . 1 1 22 22 ASP N N 22 114.139 114.139 114.900 -0.761 19604 10495 1 16 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.502 0.078 19604 10496 1 16 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.706 -0.915 19604 10497 1 16 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.224 -0.659 19604 10498 1 16 . 1 1 22 22 ASP H H 22 8.025 8.025 8.254 -0.229 19604 10499 1 16 . 1 1 23 23 GLY N N 23 109.378 109.378 109.035 0.343 19604 10500 1 16 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.248 0.968 19604 10501 1 16 . 1 1 23 23 GLY H H 23 7.661 7.661 7.650 0.011 19604 10502 1 16 . 1 1 24 24 ASP N N 24 121.022 121.022 119.764 1.258 19604 10503 1 16 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.528 -0.013 19604 10504 1 16 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.613 0.065 19604 10505 1 16 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.554 -1.051 19604 10506 1 16 . 1 1 24 24 ASP H H 24 8.466 8.466 8.311 0.155 19604 10507 1 16 . 1 1 25 25 GLY N N 25 112.810 112.810 109.304 3.506 19604 10508 1 16 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.217 0.129 19604 10509 1 16 . 1 1 25 25 GLY H H 25 10.507 10.507 8.952 1.555 19604 10510 1 16 . 1 1 26 26 THR N N 26 112.094 112.094 113.054 -0.960 19604 10511 1 16 . 1 1 26 26 THR HA H 26 5.431 5.431 5.417 0.014 19604 10512 1 16 . 1 1 26 26 THR CA C 26 59.576 59.576 59.836 -0.260 19604 10513 1 16 . 1 1 26 26 THR CB C 26 72.730 72.730 71.689 1.041 19604 10514 1 16 . 1 1 26 26 THR H H 26 8.191 8.191 8.403 -0.212 19604 10515 1 16 . 1 1 27 27 ILE N N 27 126.447 126.447 126.850 -0.403 19604 10516 1 16 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.764 0.003 19604 10517 1 16 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.697 0.433 19604 10518 1 16 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.884 1.104 19604 10519 1 16 . 1 1 27 27 ILE H H 27 9.845 9.845 8.948 0.897 19604 10520 1 16 . 1 1 28 28 THR N N 28 116.315 116.315 117.174 -0.859 19604 10521 1 16 . 1 1 28 28 THR HA H 28 4.894 4.894 5.004 -0.110 19604 10522 1 16 . 1 1 28 28 THR CA C 28 59.217 59.217 59.676 -0.459 19604 10523 1 16 . 1 1 28 28 THR CB C 28 72.480 72.480 71.726 0.754 19604 10524 1 16 . 1 1 28 28 THR H H 28 8.322 8.322 8.872 -0.550 19604 10525 1 16 . 1 1 29 29 THR N N 29 112.270 112.270 112.833 -0.563 19604 10526 1 16 . 1 1 29 29 THR HA H 29 3.790 3.790 4.035 -0.245 19604 10527 1 16 . 1 1 29 29 THR CA C 29 66.207 66.207 66.597 -0.389 19604 10528 1 16 . 1 1 29 29 THR CB C 29 67.737 67.737 68.526 -0.789 19604 10529 1 16 . 1 1 29 29 THR H H 29 9.251 9.251 8.736 0.515 19604 10530 1 16 . 1 1 30 30 LYS N N 30 121.127 121.127 121.939 -0.812 19604 10531 1 16 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.039 0.079 19604 10532 1 16 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.657 -0.400 19604 10533 1 16 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.253 0.280 19604 10534 1 16 . 1 1 30 30 LYS H H 30 7.569 7.569 7.805 -0.236 19604 10535 1 16 . 1 1 31 31 GLU N N 31 121.876 121.876 119.546 2.330 19604 10536 1 16 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.025 -0.009 19604 10537 1 16 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.516 -0.059 19604 10538 1 16 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.445 0.106 19604 10539 1 16 . 1 1 31 31 GLU H H 31 7.715 7.715 7.700 0.015 19604 10540 1 16 . 1 1 32 32 LEU N N 32 120.674 120.674 120.563 0.111 19604 10541 1 16 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.295 -0.101 19604 10542 1 16 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.594 0.593 19604 10543 1 16 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.532 0.624 19604 10544 1 16 . 1 1 32 32 LEU H H 32 8.592 8.592 7.706 0.886 19604 10545 1 16 . 1 1 33 33 GLY N N 33 106.859 106.859 105.860 0.999 19604 10546 1 16 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.191 1.036 19604 10547 1 16 . 1 1 33 33 GLY H H 33 8.861 8.861 8.088 0.773 19604 10548 1 16 . 1 1 34 34 THR N N 34 118.512 118.512 119.649 -1.137 19604 10549 1 16 . 1 1 34 34 THR HA H 34 3.935 3.935 3.889 0.046 19604 10550 1 16 . 1 1 34 34 THR CA C 34 66.964 66.964 67.166 -0.202 19604 10551 1 16 . 1 1 34 34 THR CB C 34 68.610 68.610 68.836 -0.226 19604 10552 1 16 . 1 1 34 34 THR H H 34 7.965 7.965 7.987 -0.022 19604 10553 1 16 . 1 1 35 35 VAL N N 35 122.456 122.456 121.391 1.065 19604 10554 1 16 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.492 0.079 19604 10555 1 16 . 1 1 35 35 VAL CA C 35 66.559 66.559 67.013 -0.454 19604 10556 1 16 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.699 -0.168 19604 10557 1 16 . 1 1 35 35 VAL H H 35 7.532 7.532 7.342 0.190 19604 10558 1 16 . 1 1 36 36 MET N N 36 118.015 118.015 117.946 0.069 19604 10559 1 16 . 1 1 36 36 MET HA H 36 3.899 3.899 4.093 -0.194 19604 10560 1 16 . 1 1 36 36 MET CA C 36 60.156 60.156 58.747 1.409 19604 10561 1 16 . 1 1 36 36 MET CB C 36 31.731 31.731 32.464 -0.733 19604 10562 1 16 . 1 1 36 36 MET H H 36 8.525 8.525 7.765 0.760 19604 10563 1 16 . 1 1 37 37 ARG N N 37 119.604 119.604 118.966 0.638 19604 10564 1 16 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.193 0.588 19604 10565 1 16 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.680 -0.424 19604 10566 1 16 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.832 -0.219 19604 10567 1 16 . 1 1 37 37 ARG H H 37 8.579 8.579 7.838 0.741 19604 10568 1 16 . 1 1 38 38 SER N N 38 119.543 119.543 115.369 4.174 19604 10569 1 16 . 1 1 38 38 SER HA H 38 4.396 4.396 4.273 0.123 19604 10570 1 16 . 1 1 38 38 SER CA C 38 61.758 61.758 60.953 0.805 19604 10571 1 16 . 1 1 38 38 SER CB C 38 62.691 62.691 62.760 -0.069 19604 10572 1 16 . 1 1 38 38 SER H H 38 7.939 7.939 7.800 0.139 19604 10573 1 16 . 1 1 39 39 LEU N N 39 120.454 120.454 119.896 0.558 19604 10574 1 16 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.314 0.127 19604 10575 1 16 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.455 -0.839 19604 10576 1 16 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.450 -0.320 19604 10577 1 16 . 1 1 39 39 LEU H H 39 7.394 7.394 7.430 -0.036 19604 10578 1 16 . 1 1 40 40 GLY N N 40 107.378 107.378 106.050 1.328 19604 10579 1 16 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.494 1.121 19604 10580 1 16 . 1 1 40 40 GLY H H 40 7.897 7.897 7.739 0.158 19604 10581 1 16 . 1 1 41 41 GLN N N 41 118.330 118.330 119.462 -1.132 19604 10582 1 16 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.556 -0.055 19604 10583 1 16 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.420 -0.102 19604 10584 1 16 . 1 1 41 41 GLN CB C 41 30.494 30.494 32.261 -1.767 19604 10585 1 16 . 1 1 41 41 GLN H H 41 7.883 7.883 7.824 0.059 19604 10586 1 16 . 1 1 42 42 ASN N N 42 116.488 116.488 122.614 -6.126 19604 10587 1 16 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.058 0.154 19604 10588 1 16 . 1 1 42 42 ASN CA C 42 51.128 51.128 50.014 1.114 19604 10589 1 16 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.505 -0.334 19604 10590 1 16 . 1 1 42 42 ASN H H 42 8.697 8.697 8.808 -0.111 19604 10591 1 16 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.882 -0.098 19604 10592 1 16 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.910 -0.588 19604 10593 1 16 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.154 -0.876 19604 10594 1 16 . 1 1 44 44 THR N N 44 112.452 112.452 111.671 0.781 19604 10595 1 16 . 1 1 44 44 THR HA H 44 4.461 4.461 4.555 -0.094 19604 10596 1 16 . 1 1 44 44 THR CA C 44 60.411 60.411 59.570 0.841 19604 10597 1 16 . 1 1 44 44 THR CB C 44 71.068 71.068 72.134 -1.066 19604 10598 1 16 . 1 1 44 44 THR H H 44 8.678 8.678 8.142 0.536 19604 10599 1 16 . 1 1 45 45 GLU N N 45 120.954 120.954 124.772 -3.818 19604 10600 1 16 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.940 0.070 19604 10601 1 16 . 1 1 45 45 GLU CA C 45 59.883 59.883 59.996 -0.113 19604 10602 1 16 . 1 1 45 45 GLU H H 45 8.803 8.803 9.098 -0.295 19604 10603 1 16 . 1 1 46 46 ALA N N 46 120.643 120.643 120.747 -0.104 19604 10604 1 16 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.233 -0.116 19604 10605 1 16 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.594 0.419 19604 10606 1 16 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.197 -0.024 19604 10607 1 16 . 1 1 46 46 ALA H H 46 8.272 8.272 8.198 0.074 19604 10608 1 16 . 1 1 47 47 GLU N N 47 119.059 119.059 120.305 -1.246 19604 10609 1 16 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.026 0.009 19604 10610 1 16 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.450 -0.287 19604 10611 1 16 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.771 0.155 19604 10612 1 16 . 1 1 47 47 GLU H H 47 7.686 7.686 7.888 -0.202 19604 10613 1 16 . 1 1 48 48 LEU N N 48 119.848 119.848 119.511 0.337 19604 10614 1 16 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.851 0.174 19604 10615 1 16 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.216 -0.375 19604 10616 1 16 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.648 0.782 19604 10617 1 16 . 1 1 48 48 LEU H H 48 8.036 8.036 8.534 -0.498 19604 10618 1 16 . 1 1 49 49 GLN N N 49 118.226 118.226 118.194 0.032 19604 10619 1 16 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.894 -0.091 19604 10620 1 16 . 1 1 49 49 GLN CA C 49 58.561 58.561 59.293 -0.732 19604 10621 1 16 . 1 1 49 49 GLN CB C 49 28.242 28.242 28.050 0.192 19604 10622 1 16 . 1 1 49 49 GLN H H 49 8.323 8.323 7.687 0.636 19604 10623 1 16 . 1 1 50 50 ASP N N 50 119.928 119.928 120.610 -0.682 19604 10624 1 16 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.391 0.007 19604 10625 1 16 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.030 0.579 19604 10626 1 16 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.702 -0.069 19604 10627 1 16 . 1 1 50 50 ASP H H 50 8.147 8.147 7.835 0.312 19604 10628 1 16 . 1 1 51 51 MET N N 51 117.796 117.796 118.622 -0.826 19604 10629 1 16 . 1 1 51 51 MET HA H 51 4.050 4.050 4.008 0.042 19604 10630 1 16 . 1 1 51 51 MET CA C 51 59.555 59.555 59.935 -0.381 19604 10631 1 16 . 1 1 51 51 MET CB C 51 32.846 32.846 32.674 0.172 19604 10632 1 16 . 1 1 51 51 MET H H 51 7.814 7.814 7.509 0.305 19604 10633 1 16 . 1 1 52 52 ILE N N 52 118.474 118.474 119.655 -1.181 19604 10634 1 16 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.548 0.051 19604 10635 1 16 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.300 -1.194 19604 10636 1 16 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.502 -0.443 19604 10637 1 16 . 1 1 52 52 ILE H H 52 7.685 7.685 8.095 -0.410 19604 10638 1 16 . 1 1 53 53 ASN N N 53 118.591 118.591 117.383 1.208 19604 10639 1 16 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.470 -0.053 19604 10640 1 16 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.800 0.105 19604 10641 1 16 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.953 0.038 19604 10642 1 16 . 1 1 53 53 ASN H H 53 8.786 8.786 8.432 0.354 19604 10643 1 16 . 1 1 54 54 GLU N N 54 115.327 115.327 118.323 -2.996 19604 10644 1 16 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.128 -0.080 19604 10645 1 16 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.908 0.169 19604 10646 1 16 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.929 0.996 19604 10647 1 16 . 1 1 54 54 GLU H H 54 7.368 7.368 8.186 -0.818 19604 10648 1 16 . 1 1 55 55 VAL N N 55 111.285 111.285 110.308 0.977 19604 10649 1 16 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.301 -0.074 19604 10650 1 16 . 1 1 55 55 VAL CA C 55 60.832 60.832 59.686 1.146 19604 10651 1 16 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.368 1.948 19604 10652 1 16 . 1 1 55 55 VAL H H 55 7.133 7.133 7.437 -0.304 19604 10653 1 16 . 1 1 56 56 ASP N N 56 121.291 121.291 121.883 -0.592 19604 10654 1 16 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.874 -0.406 19604 10655 1 16 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.039 0.661 19604 10656 1 16 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.422 0.161 19604 10657 1 16 . 1 1 56 56 ASP H H 56 7.567 7.567 7.575 -0.008 19604 10658 1 16 . 1 1 57 57 ALA N N 57 131.432 131.432 130.148 1.284 19604 10659 1 16 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.175 0.054 19604 10660 1 16 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.794 0.561 19604 10661 1 16 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.944 -0.249 19604 10662 1 16 . 1 1 57 57 ALA H H 57 8.064 8.064 8.467 -0.403 19604 10663 1 16 . 1 1 58 58 ASP N N 58 114.063 114.063 116.384 -2.321 19604 10664 1 16 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.595 0.042 19604 10665 1 16 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.508 -0.740 19604 10666 1 16 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.706 -0.858 19604 10667 1 16 . 1 1 58 58 ASP H H 58 8.211 8.211 8.365 -0.154 19604 10668 1 16 . 1 1 59 59 GLY N N 59 108.646 108.646 109.296 -0.650 19604 10669 1 16 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.962 1.238 19604 10670 1 16 . 1 1 59 59 GLY H H 59 7.584 7.584 7.947 -0.363 19604 10671 1 16 . 1 1 60 60 ASN N N 60 118.886 118.886 118.293 0.593 19604 10672 1 16 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.745 -0.125 19604 10673 1 16 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.209 0.468 19604 10674 1 16 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.928 -2.349 19604 10675 1 16 . 1 1 60 60 ASN H H 60 8.162 8.162 8.651 -0.489 19604 10676 1 16 . 1 1 61 61 GLY N N 61 113.458 113.458 110.219 3.239 19604 10677 1 16 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.563 0.076 19604 10678 1 16 . 1 1 61 61 GLY H H 61 10.568 10.568 9.088 1.480 19604 10679 1 16 . 1 1 62 62 THR N N 62 108.490 108.490 109.603 -1.113 19604 10680 1 16 . 1 1 62 62 THR HA H 62 4.800 4.800 5.188 -0.388 19604 10681 1 16 . 1 1 62 62 THR CA C 62 59.327 59.327 59.462 -0.135 19604 10682 1 16 . 1 1 62 62 THR CB C 62 72.409 72.409 72.558 -0.149 19604 10683 1 16 . 1 1 62 62 THR H H 62 7.643 7.643 8.280 -0.637 19604 10684 1 16 . 1 1 63 63 ILE N N 63 123.350 123.350 123.475 -0.125 19604 10685 1 16 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.751 0.463 19604 10686 1 16 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.791 -1.740 19604 10687 1 16 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.786 0.819 19604 10688 1 16 . 1 1 63 63 ILE H H 63 8.544 8.544 8.484 0.060 19604 10689 1 16 . 1 1 64 64 ASP N N 64 128.480 128.480 128.527 -0.047 19604 10690 1 16 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.059 0.448 19604 10691 1 16 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.523 -1.538 19604 10692 1 16 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.565 0.638 19604 10693 1 16 . 1 1 64 64 ASP H H 64 8.902 8.902 7.950 0.952 19604 10694 1 16 . 1 1 65 65 PHE N N 65 118.622 118.622 120.244 -1.622 19604 10695 1 16 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.449 0.530 19604 10696 1 16 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.547 1.538 19604 10697 1 16 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.691 -0.789 19604 10698 1 16 . 1 1 65 65 PHE H H 65 8.967 8.967 8.714 0.253 19604 10699 1 16 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.653 0.235 19604 10700 1 16 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.834 2.016 19604 10701 1 16 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.691 0.109 19604 10702 1 16 . 1 1 67 67 GLU N N 67 118.243 118.243 119.214 -0.971 19604 10703 1 16 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.952 0.013 19604 10704 1 16 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.760 -0.715 19604 10705 1 16 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.956 0.918 19604 10706 1 16 . 1 1 67 67 GLU H H 67 8.420 8.420 8.183 0.237 19604 10707 1 16 . 1 1 68 68 PHE N N 68 124.020 124.020 119.380 4.640 19604 10708 1 16 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.288 -0.503 19604 10709 1 16 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.937 0.550 19604 10710 1 16 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.576 1.206 19604 10711 1 16 . 1 1 68 68 PHE H H 68 8.638 8.638 7.498 1.140 19604 10712 1 16 . 1 1 69 69 LEU N N 69 120.062 120.062 121.197 -1.135 19604 10713 1 16 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.830 -0.462 19604 10714 1 16 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.874 -0.020 19604 10715 1 16 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.420 -0.035 19604 10716 1 16 . 1 1 69 69 LEU H H 69 8.972 8.972 7.376 1.596 19604 10717 1 16 . 1 1 70 70 THR N N 70 115.488 115.488 114.274 1.214 19604 10718 1 16 . 1 1 70 70 THR HA H 70 3.697 3.697 3.721 -0.024 19604 10719 1 16 . 1 1 70 70 THR CA C 70 66.558 66.558 66.102 0.456 19604 10720 1 16 . 1 1 70 70 THR CB C 70 68.396 68.396 68.555 -0.159 19604 10721 1 16 . 1 1 70 70 THR H H 70 7.855 7.855 8.187 -0.332 19604 10722 1 16 . 1 1 71 71 MET N N 71 119.627 119.627 119.694 -0.067 19604 10723 1 16 . 1 1 71 71 MET HA H 71 3.757 3.757 3.974 -0.217 19604 10724 1 16 . 1 1 71 71 MET CA C 71 58.334 58.334 58.554 -0.220 19604 10725 1 16 . 1 1 71 71 MET CB C 71 30.736 30.736 32.305 -1.569 19604 10726 1 16 . 1 1 71 71 MET H H 71 7.155 7.155 7.281 -0.126 19604 10727 1 16 . 1 1 72 72 MET N N 72 116.046 116.046 115.665 0.381 19604 10728 1 16 . 1 1 72 72 MET HA H 72 3.977 3.977 4.109 -0.132 19604 10729 1 16 . 1 1 72 72 MET CA C 72 55.138 55.138 57.559 -2.421 19604 10730 1 16 . 1 1 72 72 MET CB C 72 29.103 29.103 32.261 -3.158 19604 10731 1 16 . 1 1 72 72 MET H H 72 7.646 7.646 7.337 0.309 19604 10732 1 16 . 1 1 73 73 ALA N N 73 120.685 120.685 122.366 -1.681 19604 10733 1 16 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.943 0.239 19604 10734 1 16 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.844 -1.744 19604 10735 1 16 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.987 1.305 19604 10736 1 16 . 1 1 73 73 ALA H H 73 8.080 8.080 7.617 0.463 19604 10737 1 16 . 1 1 74 74 ARG N N 74 118.501 118.501 117.816 0.685 19604 10738 1 16 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.994 0.194 19604 10739 1 16 . 1 1 74 74 ARG CA C 74 56.977 56.977 57.895 -0.917 19604 10740 1 16 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.638 0.879 19604 10741 1 16 . 1 1 74 74 ARG H H 74 7.367 7.367 7.801 -0.434 19604 10742 1 16 . 1 1 76 76 MET HA H 76 4.413 4.413 4.399 0.014 19604 10743 1 16 . 1 1 76 76 MET CA C 76 55.804 55.804 56.423 -0.619 19604 10744 1 16 . 1 1 76 76 MET CB C 76 33.291 33.291 32.718 0.573 19604 10745 1 16 . 1 1 77 77 LYS N N 77 121.563 121.563 118.680 2.883 19604 10746 1 16 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.171 0.150 19604 10747 1 16 . 1 1 77 77 LYS CA C 77 56.418 56.418 57.799 -1.381 19604 10748 1 16 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.123 0.128 19604 10749 1 16 . 1 1 77 77 LYS H H 77 8.253 8.253 7.229 1.024 19604 10750 1 16 . 1 1 78 78 ASP N N 78 121.953 121.953 116.818 5.135 19604 10751 1 16 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.695 -0.077 19604 10752 1 16 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.201 -0.346 19604 10753 1 16 . 1 1 78 78 ASP CB C 78 41.116 41.116 41.354 -0.238 19604 10754 1 16 . 1 1 78 78 ASP H H 78 8.362 8.362 7.943 0.419 19604 10755 1 16 . 1 1 79 79 THR N N 79 113.276 113.276 115.559 -2.283 19604 10756 1 16 . 1 1 79 79 THR HA H 79 4.305 4.305 4.608 -0.303 19604 10757 1 16 . 1 1 79 79 THR CA C 79 62.124 62.124 60.550 1.575 19604 10758 1 16 . 1 1 79 79 THR CB C 79 69.634 69.634 69.428 0.206 19604 10759 1 16 . 1 1 79 79 THR H H 79 8.014 8.014 8.153 -0.139 19604 10760 1 16 . 1 1 80 80 ASP N N 80 122.850 122.850 122.077 0.773 19604 10761 1 16 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.725 -0.050 19604 10762 1 16 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.245 -0.591 19604 10763 1 16 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.993 -0.569 19604 10764 1 16 . 1 1 80 80 ASP H H 80 8.316 8.316 8.561 -0.245 19604 10765 1 16 . 1 1 81 81 SER N N 81 116.864 116.864 116.360 0.504 19604 10766 1 16 . 1 1 81 81 SER HA H 81 4.429 4.429 4.130 0.299 19604 10767 1 16 . 1 1 81 81 SER CA C 81 59.337 59.337 61.934 -2.597 19604 10768 1 16 . 1 1 81 81 SER CB C 81 63.672 63.672 63.215 0.457 19604 10769 1 16 . 1 1 81 81 SER H H 81 8.391 8.391 8.549 -0.158 19604 10770 1 16 . 1 1 82 82 GLU N N 82 122.561 122.561 118.284 4.277 19604 10771 1 16 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.251 -0.178 19604 10772 1 16 . 1 1 82 82 GLU CA C 82 59.179 59.179 58.298 0.881 19604 10773 1 16 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.822 -0.310 19604 10774 1 16 . 1 1 82 82 GLU H H 82 8.479 8.479 8.354 0.125 19604 10775 1 16 . 1 1 83 83 GLU N N 83 119.348 119.348 120.214 -0.866 19604 10776 1 16 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.154 -0.110 19604 10777 1 16 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.104 0.543 19604 10778 1 16 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.501 0.030 19604 10779 1 16 . 1 1 83 83 GLU H H 83 8.279 8.279 8.319 -0.040 19604 10780 1 16 . 1 1 84 84 GLU N N 84 118.810 118.810 119.721 -0.911 19604 10781 1 16 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.225 -0.112 19604 10782 1 16 . 1 1 84 84 GLU CA C 84 59.477 59.477 58.894 0.584 19604 10783 1 16 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.131 0.538 19604 10784 1 16 . 1 1 84 84 GLU H H 84 8.062 8.062 8.459 -0.397 19604 10785 1 16 . 1 1 85 85 ILE N N 85 122.019 122.019 119.410 2.609 19604 10786 1 16 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.158 -0.240 19604 10787 1 16 . 1 1 85 85 ILE CA C 85 65.327 65.327 64.927 0.400 19604 10788 1 16 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.997 -0.569 19604 10789 1 16 . 1 1 85 85 ILE H H 85 8.008 8.008 7.653 0.355 19604 10790 1 16 . 1 1 86 86 ARG N N 86 121.851 121.851 119.872 1.979 19604 10791 1 16 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.126 0.040 19604 10792 1 16 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.811 0.215 19604 10793 1 16 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.179 -0.212 19604 10794 1 16 . 1 1 86 86 ARG H H 86 8.446 8.446 7.790 0.656 19604 10795 1 16 . 1 1 87 87 GLU N N 87 118.621 118.621 119.615 -0.994 19604 10796 1 16 . 1 1 87 87 GLU HA H 87 4.110 4.110 3.982 0.128 19604 10797 1 16 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.478 -0.371 19604 10798 1 16 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.704 -0.278 19604 10799 1 16 . 1 1 87 87 GLU H H 87 8.149 8.149 8.414 -0.265 19604 10800 1 16 . 1 1 88 88 ALA N N 88 121.741 121.741 121.847 -0.106 19604 10801 1 16 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.623 0.402 19604 10802 1 16 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.810 0.176 19604 10803 1 16 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.083 -0.359 19604 10804 1 16 . 1 1 88 88 ALA H H 88 7.880 7.880 7.613 0.267 19604 10805 1 16 . 1 1 89 89 PHE N N 89 118.057 118.057 119.092 -1.035 19604 10806 1 16 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.754 -0.605 19604 10807 1 16 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.103 1.263 19604 10808 1 16 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.913 0.425 19604 10809 1 16 . 1 1 89 89 PHE H H 89 8.463 8.463 7.791 0.672 19604 10810 1 16 . 1 1 90 90 ARG N N 90 115.723 115.723 118.838 -3.115 19604 10811 1 16 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.843 0.049 19604 10812 1 16 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.078 -0.190 19604 10813 1 16 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.138 0.268 19604 10814 1 16 . 1 1 90 90 ARG H H 90 7.775 7.775 7.589 0.186 19604 10815 1 16 . 1 1 91 91 VAL N N 91 118.161 118.161 117.589 0.572 19604 10816 1 16 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.671 -0.147 19604 10817 1 16 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.114 0.482 19604 10818 1 16 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.523 0.021 19604 10819 1 16 . 1 1 91 91 VAL H H 91 7.484 7.484 7.660 -0.176 19604 10820 1 16 . 1 1 92 92 PHE N N 92 117.398 117.398 115.101 2.297 19604 10821 1 16 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.313 -0.035 19604 10822 1 16 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.514 1.167 19604 10823 1 16 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.622 1.232 19604 10824 1 16 . 1 1 92 92 PHE H H 92 7.544 7.544 7.316 0.228 19604 10825 1 16 . 1 1 93 93 ASP N N 93 117.503 117.503 120.056 -2.553 19604 10826 1 16 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.431 0.110 19604 10827 1 16 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.820 -1.638 19604 10828 1 16 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.505 -1.078 19604 10829 1 16 . 1 1 93 93 ASP H H 93 7.963 7.963 7.589 0.374 19604 10830 1 16 . 1 1 94 94 LYS N N 94 125.976 125.976 124.355 1.621 19604 10831 1 16 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.089 -0.183 19604 10832 1 16 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.017 1.045 19604 10833 1 16 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.469 0.564 19604 10834 1 16 . 1 1 94 94 LYS H H 94 7.585 7.585 7.958 -0.373 19604 10835 1 16 . 1 1 95 95 ASP N N 95 114.100 114.100 119.013 -4.913 19604 10836 1 16 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.497 0.057 19604 10837 1 16 . 1 1 95 95 ASP CA C 95 53.066 53.066 54.072 -1.006 19604 10838 1 16 . 1 1 95 95 ASP CB C 95 39.749 39.749 39.945 -0.196 19604 10839 1 16 . 1 1 95 95 ASP H H 95 8.186 8.186 7.858 0.328 19604 10840 1 16 . 1 1 96 96 GLY N N 96 109.383 109.383 107.287 2.096 19604 10841 1 16 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.021 1.127 19604 10842 1 16 . 1 1 96 96 GLY H H 96 7.809 7.809 7.998 -0.189 19604 10843 1 16 . 1 1 97 97 ASN N N 97 119.744 119.744 119.462 0.282 19604 10844 1 16 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.666 -0.020 19604 10845 1 16 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.768 -0.113 19604 10846 1 16 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.943 -0.754 19604 10847 1 16 . 1 1 97 97 ASN H H 97 8.336 8.336 8.489 -0.153 19604 10848 1 16 . 1 1 98 98 GLY N N 98 112.937 112.937 107.748 5.189 19604 10849 1 16 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.705 -0.673 19604 10850 1 16 . 1 1 98 98 GLY H H 98 10.653 10.653 8.714 1.938 19604 10851 1 16 . 1 1 99 99 TYR N N 99 115.956 115.956 117.713 -1.757 19604 10852 1 16 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.013 0.048 19604 10853 1 16 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.541 -1.352 19604 10854 1 16 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.214 0.830 19604 10855 1 16 . 1 1 99 99 TYR H H 99 7.630 7.630 8.443 -0.813 19604 10856 1 16 . 1 1 100 100 ILE N N 100 127.360 127.360 124.600 2.760 19604 10857 1 16 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.792 -0.008 19604 10858 1 16 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.339 0.680 19604 10859 1 16 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.908 -0.923 19604 10860 1 16 . 1 1 100 100 ILE H H 100 10.174 10.174 9.196 0.978 19604 10861 1 16 . 1 1 101 101 SER N N 101 124.117 124.117 122.776 1.341 19604 10862 1 16 . 1 1 101 101 SER HA H 101 4.885 4.885 5.020 -0.135 19604 10863 1 16 . 1 1 101 101 SER CA C 101 55.722 55.722 56.066 -0.344 19604 10864 1 16 . 1 1 101 101 SER CB C 101 66.631 66.631 65.956 0.675 19604 10865 1 16 . 1 1 101 101 SER H H 101 8.977 8.977 8.471 0.506 19604 10866 1 16 . 1 1 102 102 ALA N N 102 123.057 123.057 122.720 0.337 19604 10867 1 16 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.190 -0.266 19604 10868 1 16 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.078 0.876 19604 10869 1 16 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.444 -0.552 19604 10870 1 16 . 1 1 102 102 ALA H H 102 9.261 9.261 8.947 0.314 19604 10871 1 16 . 1 1 103 103 ALA N N 103 118.685 118.685 121.641 -2.956 19604 10872 1 16 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.048 -0.024 19604 10873 1 16 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.775 0.444 19604 10874 1 16 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.555 -0.239 19604 10875 1 16 . 1 1 103 103 ALA H H 103 8.271 8.271 8.004 0.267 19604 10876 1 16 . 1 1 104 104 GLU N N 104 119.737 119.737 119.116 0.621 19604 10877 1 16 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.015 0.022 19604 10878 1 16 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.035 0.215 19604 10879 1 16 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.572 -0.356 19604 10880 1 16 . 1 1 104 104 GLU H H 104 7.857 7.857 7.595 0.262 19604 10881 1 16 . 1 1 105 105 LEU N N 105 122.037 122.037 120.539 1.498 19604 10882 1 16 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.929 0.107 19604 10883 1 16 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.951 0.101 19604 10884 1 16 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.823 0.291 19604 10885 1 16 . 1 1 105 105 LEU H H 105 8.685 8.685 8.082 0.603 19604 10886 1 16 . 1 1 106 106 ARG N N 106 118.484 118.484 118.284 0.200 19604 10887 1 16 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.851 -0.143 19604 10888 1 16 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.875 0.155 19604 10889 1 16 . 1 1 106 106 ARG CB C 106 30.317 30.317 30.037 0.280 19604 10890 1 16 . 1 1 106 106 ARG H H 106 8.682 8.682 7.608 1.074 19604 10891 1 16 . 1 1 107 107 HIS N N 107 118.917 118.917 118.957 -0.040 19604 10892 1 16 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.294 0.002 19604 10893 1 16 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.488 0.354 19604 10894 1 16 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.745 0.831 19604 10895 1 16 . 1 1 107 107 HIS H H 107 7.803 7.803 7.774 0.029 19604 10896 1 16 . 1 1 108 108 VAL N N 108 119.662 119.662 118.293 1.369 19604 10897 1 16 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.824 -0.366 19604 10898 1 16 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.118 1.335 19604 10899 1 16 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.622 -0.029 19604 10900 1 16 . 1 1 108 108 VAL H H 108 7.887 7.887 7.952 -0.065 19604 10901 1 16 . 1 1 109 109 MET N N 109 115.981 115.981 119.062 -3.081 19604 10902 1 16 . 1 1 109 109 MET HA H 109 4.296 4.296 4.236 0.060 19604 10903 1 16 . 1 1 109 109 MET CA C 109 57.062 57.062 57.762 -0.700 19604 10904 1 16 . 1 1 109 109 MET H H 109 8.128 8.128 7.684 0.444 19604 10905 1 16 . 1 1 110 110 THR N N 110 116.866 116.866 114.279 2.587 19604 10906 1 16 . 1 1 110 110 THR HA H 110 4.080 4.080 4.031 0.049 19604 10907 1 16 . 1 1 110 110 THR CA C 110 66.402 66.402 65.973 0.429 19604 10908 1 16 . 1 1 110 110 THR CB C 110 68.574 68.574 68.007 0.567 19604 10909 1 16 . 1 1 110 110 THR H H 110 8.302 8.302 8.208 0.094 19604 10910 1 16 . 1 1 111 111 ASN N N 111 122.811 122.811 119.659 3.152 19604 10911 1 16 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.486 -0.041 19604 10912 1 16 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.543 0.268 19604 10913 1 16 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.494 -0.519 19604 10914 1 16 . 1 1 111 111 ASN H H 111 7.849 7.849 7.741 0.108 19604 10915 1 16 . 1 1 112 112 LEU N N 112 118.869 118.869 118.476 0.393 19604 10916 1 16 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.239 0.106 19604 10917 1 16 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.423 -0.332 19604 10918 1 16 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.341 -0.261 19604 10919 1 16 . 1 1 112 112 LEU H H 112 7.666 7.666 7.785 -0.119 19604 10920 1 16 . 1 1 113 113 GLY N N 113 107.124 107.124 106.907 0.217 19604 10921 1 16 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.468 0.948 19604 10922 1 16 . 1 1 113 113 GLY H H 113 7.818 7.818 7.501 0.317 19604 10923 1 16 . 1 1 114 114 GLU N N 114 120.113 120.113 120.459 -0.346 19604 10924 1 16 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.545 -0.118 19604 10925 1 16 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.425 0.172 19604 10926 1 16 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.781 -1.071 19604 10927 1 16 . 1 1 114 114 GLU H H 114 7.895 7.895 7.640 0.255 19604 10928 1 16 . 1 1 115 115 LYS N N 115 124.920 124.920 127.802 -2.882 19604 10929 1 16 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.314 0.066 19604 10930 1 16 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.201 -0.808 19604 10931 1 16 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.781 -0.736 19604 10932 1 16 . 1 1 115 115 LYS H H 115 8.583 8.583 8.555 0.028 19604 10933 1 16 . 1 1 116 116 LEU N N 116 124.979 124.979 125.715 -0.736 19604 10934 1 16 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.683 0.084 19604 10935 1 16 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.260 0.821 19604 10936 1 16 . 1 1 116 116 LEU CB C 116 44.532 44.532 46.012 -1.480 19604 10937 1 16 . 1 1 116 116 LEU H H 116 8.082 8.082 8.507 -0.425 19604 10938 1 16 . 1 1 117 117 THR N N 117 114.448 114.448 111.492 2.956 19604 10939 1 16 . 1 1 117 117 THR HA H 117 4.452 4.452 4.428 0.024 19604 10940 1 16 . 1 1 117 117 THR CA C 117 60.690 60.690 60.005 0.685 19604 10941 1 16 . 1 1 117 117 THR CB C 117 71.051 71.051 70.725 0.326 19604 10942 1 16 . 1 1 117 117 THR H H 117 9.172 9.172 8.323 0.849 19604 10943 1 16 . 1 1 118 118 ASP N N 118 121.175 121.175 121.843 -0.668 19604 10944 1 16 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.318 -0.105 19604 10945 1 16 . 1 1 118 118 ASP CA C 118 57.992 57.992 57.789 0.203 19604 10946 1 16 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.468 -0.798 19604 10947 1 16 . 1 1 118 118 ASP H H 118 8.889 8.889 8.841 0.048 19604 10948 1 16 . 1 1 119 119 GLU N N 119 119.386 119.386 118.306 1.080 19604 10949 1 16 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.073 0.015 19604 10950 1 16 . 1 1 119 119 GLU CA C 119 60.013 60.013 59.038 0.975 19604 10951 1 16 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.518 -0.346 19604 10952 1 16 . 1 1 119 119 GLU H H 119 8.665 8.665 8.482 0.183 19604 10953 1 16 . 1 1 120 120 GLU N N 120 120.564 120.564 120.157 0.407 19604 10954 1 16 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.101 -0.119 19604 10955 1 16 . 1 1 120 120 GLU CA C 120 59.252 59.252 58.746 0.506 19604 10956 1 16 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.258 1.502 19604 10957 1 16 . 1 1 120 120 GLU H H 120 7.715 7.715 7.450 0.265 19604 10958 1 16 . 1 1 121 121 VAL N N 121 120.955 120.955 119.401 1.554 19604 10959 1 16 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.616 -0.160 19604 10960 1 16 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.865 0.016 19604 10961 1 16 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.244 0.087 19604 10962 1 16 . 1 1 121 121 VAL H H 121 8.050 8.050 8.005 0.045 19604 10963 1 16 . 1 1 122 122 ASP N N 122 120.016 120.016 119.823 0.193 19604 10964 1 16 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.241 0.122 19604 10965 1 16 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.066 -0.352 19604 10966 1 16 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.825 -0.372 19604 10967 1 16 . 1 1 122 122 ASP H H 122 7.980 7.980 7.771 0.209 19604 10968 1 16 . 1 1 123 123 GLU N N 123 119.913 119.913 118.664 1.249 19604 10969 1 16 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.066 -0.021 19604 10970 1 16 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.019 0.286 19604 10971 1 16 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.436 -0.157 19604 10972 1 16 . 1 1 123 123 GLU H H 123 8.033 8.033 7.955 0.078 19604 10973 1 16 . 1 1 124 124 MET N N 124 119.642 119.642 118.291 1.351 19604 10974 1 16 . 1 1 124 124 MET HA H 124 4.175 4.175 4.074 0.101 19604 10975 1 16 . 1 1 124 124 MET CA C 124 60.420 60.420 59.464 0.956 19604 10976 1 16 . 1 1 124 124 MET CB C 124 33.408 33.408 32.892 0.516 19604 10977 1 16 . 1 1 124 124 MET H H 124 7.930 7.930 7.722 0.208 19604 10978 1 16 . 1 1 125 125 ILE N N 125 119.663 119.663 119.213 0.450 19604 10979 1 16 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.731 -0.022 19604 10980 1 16 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.170 0.169 19604 10981 1 16 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.626 -0.291 19604 10982 1 16 . 1 1 125 125 ILE H H 125 8.147 8.147 8.218 -0.071 19604 10983 1 16 . 1 1 126 126 ARG N N 126 118.998 118.998 118.883 0.115 19604 10984 1 16 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.975 0.097 19604 10985 1 16 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.404 0.424 19604 10986 1 16 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.284 0.047 19604 10987 1 16 . 1 1 126 126 ARG H H 126 8.431 8.431 8.195 0.236 19604 10988 1 16 . 1 1 127 127 GLU N N 127 116.058 116.058 118.406 -2.348 19604 10989 1 16 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.164 -0.180 19604 10990 1 16 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.514 0.291 19604 10991 1 16 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.604 0.202 19604 10992 1 16 . 1 1 127 127 GLU H H 127 7.899 7.899 7.710 0.189 19604 10993 1 16 . 1 1 128 128 ALA N N 128 117.702 117.702 118.878 -1.176 19604 10994 1 16 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.264 0.189 19604 10995 1 16 . 1 1 128 128 ALA CA C 128 51.720 51.720 52.728 -1.008 19604 10996 1 16 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.709 2.677 19604 10997 1 16 . 1 1 128 128 ALA H H 128 7.222 7.222 7.472 -0.250 19604 10998 1 16 . 1 1 129 129 ASP N N 129 117.996 117.996 119.681 -1.685 19604 10999 1 16 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.758 -0.261 19604 11000 1 16 . 1 1 129 129 ASP CA C 129 54.336 54.336 53.754 0.582 19604 11001 1 16 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.646 1.036 19604 11002 1 16 . 1 1 129 129 ASP H H 129 7.947 7.947 7.933 0.014 19604 11003 1 16 . 1 1 130 130 ILE N N 130 128.199 128.199 124.321 3.878 19604 11004 1 16 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.855 0.053 19604 11005 1 16 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.451 -0.018 19604 11006 1 16 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.489 0.249 19604 11007 1 16 . 1 1 130 130 ILE H H 130 8.399 8.399 7.967 0.432 19604 11008 1 16 . 1 1 131 131 ASP N N 131 116.628 116.628 117.545 -0.917 19604 11009 1 16 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.495 0.018 19604 11010 1 16 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.868 -0.040 19604 11011 1 16 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.344 -0.356 19604 11012 1 16 . 1 1 131 131 ASP H H 131 8.258 8.258 7.901 0.357 19604 11013 1 16 . 1 1 132 132 GLY N N 132 108.616 108.616 108.472 0.144 19604 11014 1 16 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.012 1.515 19604 11015 1 16 . 1 1 132 132 GLY H H 132 7.559 7.559 7.687 -0.128 19604 11016 1 16 . 1 1 133 133 ASP N N 133 120.901 120.901 119.965 0.936 19604 11017 1 16 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.567 -0.089 19604 11018 1 16 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.683 -0.030 19604 11019 1 16 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.422 -1.151 19604 11020 1 16 . 1 1 133 133 ASP H H 133 8.340 8.340 8.761 -0.421 19604 11021 1 16 . 1 1 134 134 GLY N N 134 112.918 112.918 109.033 3.885 19604 11022 1 16 . 1 1 134 134 GLY CA C 134 45.868 45.868 45.024 0.844 19604 11023 1 16 . 1 1 134 134 GLY H H 134 10.366 10.366 8.858 1.508 19604 11024 1 16 . 1 1 135 135 GLN N N 135 115.297 115.297 117.632 -2.335 19604 11025 1 16 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.660 0.257 19604 11026 1 16 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.904 -1.677 19604 11027 1 16 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.604 -1.262 19604 11028 1 16 . 1 1 135 135 GLN H H 135 8.012 8.012 8.505 -0.493 19604 11029 1 16 . 1 1 136 136 VAL N N 136 125.463 125.463 121.627 3.836 19604 11030 1 16 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.111 0.107 19604 11031 1 16 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.753 0.910 19604 11032 1 16 . 1 1 136 136 VAL CB C 136 33.758 33.758 33.161 0.597 19604 11033 1 16 . 1 1 136 136 VAL H H 136 9.133 9.133 8.762 0.371 19604 11034 1 16 . 1 1 137 137 ASN N N 137 129.402 129.402 125.914 3.488 19604 11035 1 16 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.671 0.628 19604 11036 1 16 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.659 0.367 19604 11037 1 16 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.941 -1.656 19604 11038 1 16 . 1 1 137 137 ASN H H 137 9.634 9.634 8.640 0.994 19604 11039 1 16 . 1 1 138 138 TYR N N 138 118.585 118.585 121.883 -3.298 19604 11040 1 16 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.215 0.127 19604 11041 1 16 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.931 -0.414 19604 11042 1 16 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.185 -0.489 19604 11043 1 16 . 1 1 138 138 TYR H H 138 8.400 8.400 8.650 -0.250 19604 11044 1 16 . 1 1 139 139 GLU N N 139 118.692 118.692 118.491 0.201 19604 11045 1 16 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.686 -0.068 19604 11046 1 16 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.895 0.418 19604 11047 1 16 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.034 -0.034 19604 11048 1 16 . 1 1 139 139 GLU H H 139 8.095 8.095 8.755 -0.660 19604 11049 1 16 . 1 1 140 140 GLU N N 140 119.980 119.980 119.000 0.980 19604 11050 1 16 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.100 -0.195 19604 11051 1 16 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.744 -0.212 19604 11052 1 16 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.811 -0.104 19604 11053 1 16 . 1 1 140 140 GLU H H 140 8.759 8.759 8.247 0.512 19604 11054 1 16 . 1 1 141 141 PHE N N 141 123.408 123.408 121.380 2.028 19604 11055 1 16 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.236 -0.505 19604 11056 1 16 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.387 0.596 19604 11057 1 16 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.443 0.730 19604 11058 1 16 . 1 1 141 141 PHE H H 141 8.639 8.639 8.279 0.360 19604 11059 1 16 . 1 1 142 142 VAL N N 142 119.839 119.839 120.414 -0.575 19604 11060 1 16 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.388 -0.344 19604 11061 1 16 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.920 0.198 19604 11062 1 16 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.193 0.322 19604 11063 1 16 . 1 1 142 142 VAL H H 142 8.781 8.781 8.494 0.287 19604 11064 1 16 . 1 1 143 143 GLN N N 143 118.240 118.240 117.906 0.334 19604 11065 1 16 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.859 -0.057 19604 11066 1 16 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.708 0.109 19604 11067 1 16 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.536 -0.361 19604 11068 1 16 . 1 1 143 143 GLN H H 143 7.491 7.491 7.448 0.043 19604 11069 1 16 . 1 1 144 144 MET N N 144 116.028 116.028 118.708 -2.680 19604 11070 1 16 . 1 1 144 144 MET HA H 144 4.145 4.145 4.074 0.071 19604 11071 1 16 . 1 1 144 144 MET CA C 144 55.939 55.939 58.007 -2.068 19604 11072 1 16 . 1 1 144 144 MET CB C 144 31.345 31.345 32.420 -1.075 19604 11073 1 16 . 1 1 144 144 MET H H 144 7.176 7.176 7.243 -0.067 19604 11074 1 16 . 1 1 145 145 MET N N 145 116.272 116.272 118.509 -2.237 19604 11075 1 16 . 1 1 145 145 MET HA H 145 4.301 4.301 4.125 0.176 19604 11076 1 16 . 1 1 145 145 MET CA C 145 55.416 55.416 58.101 -2.685 19604 11077 1 16 . 1 1 145 145 MET CB C 145 32.831 32.831 33.048 -0.217 19604 11078 1 16 . 1 1 145 145 MET H H 145 7.831 7.831 7.841 -0.010 19604 11079 1 16 . 1 1 146 146 THR N N 146 110.389 110.389 112.949 -2.560 19604 11080 1 16 . 1 1 146 146 THR HA H 146 4.308 4.308 4.436 -0.128 19604 11081 1 16 . 1 1 146 146 THR CA C 146 61.942 61.942 61.092 0.850 19604 11082 1 16 . 1 1 146 146 THR CB C 146 70.244 70.244 68.507 1.737 19604 11083 1 16 . 1 1 146 146 THR H H 146 7.474 7.474 7.658 -0.184 19604 11084 1 16 . 1 1 147 147 ALA N N 147 126.864 126.864 124.303 2.561 19604 11085 1 16 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.166 0.042 19604 11086 1 16 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.163 -0.165 19604 11087 1 16 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.977 -0.861 19604 11088 1 16 . 1 1 147 147 ALA H H 147 7.622 7.622 7.354 0.268 19604 11089 1 17 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.400 0.240 19604 11090 1 17 . 1 1 2 2 ASP CA C 2 54.613 54.613 55.193 -0.580 19604 11091 1 17 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.021 0.330 19604 11092 1 17 . 1 1 3 3 GLN N N 3 120.300 120.300 118.017 2.283 19604 11093 1 17 . 1 1 3 3 GLN HA H 3 4.373 4.373 3.992 0.381 19604 11094 1 17 . 1 1 3 3 GLN CA C 3 55.498 55.498 57.638 -2.140 19604 11095 1 17 . 1 1 3 3 GLN CB C 3 29.778 29.778 27.985 1.793 19604 11096 1 17 . 1 1 3 3 GLN H H 3 8.388 8.388 8.325 0.063 19604 11097 1 17 . 1 1 4 4 LEU N N 4 123.525 123.525 120.597 2.928 19604 11098 1 17 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.680 0.007 19604 11099 1 17 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.183 0.176 19604 11100 1 17 . 1 1 4 4 LEU CB C 4 43.653 43.653 43.588 0.065 19604 11101 1 17 . 1 1 4 4 LEU H H 4 8.299 8.299 7.921 0.378 19604 11102 1 17 . 1 1 5 5 THR N N 5 113.299 113.299 111.158 2.141 19604 11103 1 17 . 1 1 5 5 THR HA H 5 4.476 4.476 4.516 -0.040 19604 11104 1 17 . 1 1 5 5 THR CA C 5 60.463 60.463 59.869 0.594 19604 11105 1 17 . 1 1 5 5 THR CB C 5 71.250 71.250 71.161 0.089 19604 11106 1 17 . 1 1 5 5 THR H H 5 8.651 8.651 8.047 0.604 19604 11107 1 17 . 1 1 6 6 GLU N N 6 120.620 120.620 121.595 -0.975 19604 11108 1 17 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.011 -0.036 19604 11109 1 17 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.425 -0.490 19604 11110 1 17 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.650 -0.451 19604 11111 1 17 . 1 1 6 6 GLU H H 6 9.014 9.014 8.854 0.160 19604 11112 1 17 . 1 1 7 7 GLU N N 7 119.586 119.586 118.497 1.089 19604 11113 1 17 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.022 0.046 19604 11114 1 17 . 1 1 7 7 GLU CA C 7 59.943 59.943 58.963 0.980 19604 11115 1 17 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.489 -0.411 19604 11116 1 17 . 1 1 7 7 GLU H H 7 8.713 8.713 8.108 0.605 19604 11117 1 17 . 1 1 8 8 GLN N N 8 120.413 120.413 119.162 1.251 19604 11118 1 17 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.160 -0.335 19604 11119 1 17 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.510 0.265 19604 11120 1 17 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.706 0.754 19604 11121 1 17 . 1 1 8 8 GLN H H 8 7.719 7.719 7.961 -0.242 19604 11122 1 17 . 1 1 9 9 ILE N N 9 119.362 119.362 121.069 -1.707 19604 11123 1 17 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.968 -0.300 19604 11124 1 17 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.877 1.358 19604 11125 1 17 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.746 0.075 19604 11126 1 17 . 1 1 9 9 ILE H H 9 8.267 8.267 7.669 0.598 19604 11127 1 17 . 1 1 10 10 ALA N N 10 121.321 121.321 121.516 -0.195 19604 11128 1 17 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.961 0.157 19604 11129 1 17 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.640 -0.243 19604 11130 1 17 . 1 1 10 10 ALA CB C 10 17.796 17.796 18.121 -0.325 19604 11131 1 17 . 1 1 10 10 ALA H H 10 8.023 8.023 8.597 -0.574 19604 11132 1 17 . 1 1 11 11 GLU N N 11 119.865 119.865 119.398 0.467 19604 11133 1 17 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.131 0.010 19604 11134 1 17 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.507 0.904 19604 11135 1 17 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.466 -0.258 19604 11136 1 17 . 1 1 11 11 GLU H H 11 7.761 7.761 7.668 0.093 19604 11137 1 17 . 1 1 12 12 PHE N N 12 119.971 119.971 119.541 0.430 19604 11138 1 17 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.283 0.740 19604 11139 1 17 . 1 1 12 12 PHE CA C 12 58.712 58.712 61.218 -2.506 19604 11140 1 17 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.897 -1.380 19604 11141 1 17 . 1 1 12 12 PHE H H 12 8.479 8.479 7.769 0.710 19604 11142 1 17 . 1 1 13 13 LYS N N 13 123.604 123.604 119.493 4.111 19604 11143 1 17 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.168 -0.194 19604 11144 1 17 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.465 -0.509 19604 11145 1 17 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.269 -0.491 19604 11146 1 17 . 1 1 13 13 LYS H H 13 9.222 9.222 8.815 0.407 19604 11147 1 17 . 1 1 14 14 GLU N N 14 120.976 120.976 118.665 2.311 19604 11148 1 17 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.185 -0.072 19604 11149 1 17 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.209 0.353 19604 11150 1 17 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.496 -0.081 19604 11151 1 17 . 1 1 14 14 GLU H H 14 7.924 7.924 7.955 -0.031 19604 11152 1 17 . 1 1 15 15 ALA N N 15 122.303 122.303 121.608 0.695 19604 11153 1 17 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.256 0.068 19604 11154 1 17 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.770 0.368 19604 11155 1 17 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.480 -0.478 19604 11156 1 17 . 1 1 15 15 ALA H H 15 7.990 7.990 7.604 0.386 19604 11157 1 17 . 1 1 16 16 PHE N N 16 119.011 119.011 120.248 -1.237 19604 11158 1 17 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.954 -0.684 19604 11159 1 17 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.664 1.323 19604 11160 1 17 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.636 0.270 19604 11161 1 17 . 1 1 16 16 PHE H H 16 8.666 8.666 7.870 0.796 19604 11162 1 17 . 1 1 17 17 SER N N 17 113.988 113.988 115.631 -1.643 19604 11163 1 17 . 1 1 17 17 SER HA H 17 4.086 4.086 3.950 0.136 19604 11164 1 17 . 1 1 17 17 SER CA C 17 61.532 61.532 61.411 0.121 19604 11165 1 17 . 1 1 17 17 SER CB C 17 62.921 62.921 63.244 -0.323 19604 11166 1 17 . 1 1 17 17 SER H H 17 8.202 8.202 8.032 0.170 19604 11167 1 17 . 1 1 18 18 LEU N N 18 120.913 120.913 120.708 0.205 19604 11168 1 17 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.010 -0.060 19604 11169 1 17 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.052 0.435 19604 11170 1 17 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.856 -0.333 19604 11171 1 17 . 1 1 18 18 LEU H H 18 7.280 7.280 7.406 -0.126 19604 11172 1 17 . 1 1 19 19 PHE N N 19 113.613 113.613 114.479 -0.866 19604 11173 1 17 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.214 -0.182 19604 11174 1 17 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.574 -0.168 19604 11175 1 17 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.445 2.112 19604 11176 1 17 . 1 1 19 19 PHE H H 19 7.070 7.070 7.310 -0.240 19604 11177 1 17 . 1 1 20 20 ASP N N 20 117.393 117.393 119.439 -2.046 19604 11178 1 17 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.480 0.113 19604 11179 1 17 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.642 -1.174 19604 11180 1 17 . 1 1 20 20 ASP CB C 20 39.296 39.296 39.950 -0.654 19604 11181 1 17 . 1 1 20 20 ASP H H 20 7.790 7.790 7.409 0.381 19604 11182 1 17 . 1 1 21 21 LYS N N 21 124.292 124.292 124.921 -0.629 19604 11183 1 17 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.037 -0.059 19604 11184 1 17 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.370 -0.049 19604 11185 1 17 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.551 0.122 19604 11186 1 17 . 1 1 21 21 LYS H H 21 7.707 7.707 8.133 -0.426 19604 11187 1 17 . 1 1 22 22 ASP N N 22 114.139 114.139 115.646 -1.507 19604 11188 1 17 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.553 0.027 19604 11189 1 17 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.550 -0.759 19604 11190 1 17 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.129 -0.564 19604 11191 1 17 . 1 1 22 22 ASP H H 22 8.025 8.025 8.190 -0.165 19604 11192 1 17 . 1 1 23 23 GLY N N 23 109.378 109.378 108.959 0.419 19604 11193 1 17 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.281 0.935 19604 11194 1 17 . 1 1 23 23 GLY H H 23 7.661 7.661 7.658 0.003 19604 11195 1 17 . 1 1 24 24 ASP N N 24 121.022 121.022 119.778 1.244 19604 11196 1 17 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.514 0.001 19604 11197 1 17 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.568 0.110 19604 11198 1 17 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.585 -1.082 19604 11199 1 17 . 1 1 24 24 ASP H H 24 8.466 8.466 8.335 0.131 19604 11200 1 17 . 1 1 25 25 GLY N N 25 112.810 112.810 109.248 3.562 19604 11201 1 17 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.307 0.039 19604 11202 1 17 . 1 1 25 25 GLY H H 25 10.507 10.507 9.160 1.347 19604 11203 1 17 . 1 1 26 26 THR N N 26 112.094 112.094 113.600 -1.506 19604 11204 1 17 . 1 1 26 26 THR HA H 26 5.431 5.431 5.170 0.261 19604 11205 1 17 . 1 1 26 26 THR CA C 26 59.576 59.576 60.349 -0.773 19604 11206 1 17 . 1 1 26 26 THR CB C 26 72.730 72.730 71.424 1.306 19604 11207 1 17 . 1 1 26 26 THR H H 26 8.191 8.191 8.353 -0.162 19604 11208 1 17 . 1 1 27 27 ILE N N 27 126.447 126.447 127.866 -1.419 19604 11209 1 17 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.731 0.036 19604 11210 1 17 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.241 0.889 19604 11211 1 17 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.194 1.794 19604 11212 1 17 . 1 1 27 27 ILE H H 27 9.845 9.845 9.014 0.831 19604 11213 1 17 . 1 1 28 28 THR N N 28 116.315 116.315 119.341 -3.026 19604 11214 1 17 . 1 1 28 28 THR HA H 28 4.894 4.894 4.849 0.045 19604 11215 1 17 . 1 1 28 28 THR CA C 28 59.217 59.217 59.843 -0.626 19604 11216 1 17 . 1 1 28 28 THR CB C 28 72.480 72.480 71.195 1.285 19604 11217 1 17 . 1 1 28 28 THR H H 28 8.322 8.322 9.338 -1.016 19604 11218 1 17 . 1 1 29 29 THR N N 29 112.270 112.270 112.690 -0.420 19604 11219 1 17 . 1 1 29 29 THR HA H 29 3.790 3.790 4.084 -0.294 19604 11220 1 17 . 1 1 29 29 THR CA C 29 66.207 66.207 66.141 0.066 19604 11221 1 17 . 1 1 29 29 THR CB C 29 67.737 67.737 68.283 -0.546 19604 11222 1 17 . 1 1 29 29 THR H H 29 9.251 9.251 8.832 0.419 19604 11223 1 17 . 1 1 30 30 LYS N N 30 121.127 121.127 121.881 -0.754 19604 11224 1 17 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.188 -0.070 19604 11225 1 17 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.076 0.181 19604 11226 1 17 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.227 0.306 19604 11227 1 17 . 1 1 30 30 LYS H H 30 7.569 7.569 7.545 0.024 19604 11228 1 17 . 1 1 31 31 GLU N N 31 121.876 121.876 120.281 1.595 19604 11229 1 17 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.102 -0.086 19604 11230 1 17 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.123 0.334 19604 11231 1 17 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.724 -0.173 19604 11232 1 17 . 1 1 31 31 GLU H H 31 7.715 7.715 7.617 0.098 19604 11233 1 17 . 1 1 32 32 LEU N N 32 120.674 120.674 120.748 -0.074 19604 11234 1 17 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.264 -0.070 19604 11235 1 17 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.291 0.896 19604 11236 1 17 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.106 0.050 19604 11237 1 17 . 1 1 32 32 LEU H H 32 8.592 8.592 8.629 -0.037 19604 11238 1 17 . 1 1 33 33 GLY N N 33 106.859 106.859 105.320 1.539 19604 11239 1 17 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.671 0.556 19604 11240 1 17 . 1 1 33 33 GLY H H 33 8.861 8.861 8.324 0.537 19604 11241 1 17 . 1 1 34 34 THR N N 34 118.512 118.512 118.637 -0.125 19604 11242 1 17 . 1 1 34 34 THR HA H 34 3.935 3.935 4.083 -0.148 19604 11243 1 17 . 1 1 34 34 THR CA C 34 66.964 66.964 66.868 0.096 19604 11244 1 17 . 1 1 34 34 THR CB C 34 68.610 68.610 68.577 0.033 19604 11245 1 17 . 1 1 34 34 THR H H 34 7.965 7.965 7.530 0.435 19604 11246 1 17 . 1 1 35 35 VAL N N 35 122.456 122.456 121.780 0.676 19604 11247 1 17 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.509 0.062 19604 11248 1 17 . 1 1 35 35 VAL CA C 35 66.559 66.559 67.176 -0.617 19604 11249 1 17 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.742 -0.211 19604 11250 1 17 . 1 1 35 35 VAL H H 35 7.532 7.532 7.431 0.101 19604 11251 1 17 . 1 1 36 36 MET N N 36 118.015 118.015 115.502 2.513 19604 11252 1 17 . 1 1 36 36 MET HA H 36 3.899 3.899 4.244 -0.345 19604 11253 1 17 . 1 1 36 36 MET CA C 36 60.156 60.156 58.714 1.442 19604 11254 1 17 . 1 1 36 36 MET CB C 36 31.731 31.731 32.061 -0.330 19604 11255 1 17 . 1 1 36 36 MET H H 36 8.525 8.525 8.008 0.517 19604 11256 1 17 . 1 1 37 37 ARG N N 37 119.604 119.604 121.265 -1.661 19604 11257 1 17 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.126 0.655 19604 11258 1 17 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.352 -0.096 19604 11259 1 17 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.992 -0.379 19604 11260 1 17 . 1 1 37 37 ARG H H 37 8.579 8.579 8.086 0.493 19604 11261 1 17 . 1 1 38 38 SER N N 38 119.543 119.543 115.553 3.990 19604 11262 1 17 . 1 1 38 38 SER HA H 38 4.396 4.396 4.339 0.057 19604 11263 1 17 . 1 1 38 38 SER CA C 38 61.758 61.758 60.864 0.894 19604 11264 1 17 . 1 1 38 38 SER CB C 38 62.691 62.691 63.035 -0.344 19604 11265 1 17 . 1 1 38 38 SER H H 38 7.939 7.939 7.859 0.080 19604 11266 1 17 . 1 1 39 39 LEU N N 39 120.454 120.454 120.404 0.050 19604 11267 1 17 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.508 -0.067 19604 11268 1 17 . 1 1 39 39 LEU CA C 39 54.616 54.616 54.895 -0.279 19604 11269 1 17 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.440 -0.310 19604 11270 1 17 . 1 1 39 39 LEU H H 39 7.394 7.394 7.644 -0.250 19604 11271 1 17 . 1 1 40 40 GLY N N 40 107.378 107.378 106.589 0.789 19604 11272 1 17 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.581 1.034 19604 11273 1 17 . 1 1 40 40 GLY H H 40 7.897 7.897 7.520 0.377 19604 11274 1 17 . 1 1 41 41 GLN N N 41 118.330 118.330 120.294 -1.964 19604 11275 1 17 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.518 -0.017 19604 11276 1 17 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.408 -0.090 19604 11277 1 17 . 1 1 41 41 GLN CB C 41 30.494 30.494 29.846 0.648 19604 11278 1 17 . 1 1 41 41 GLN H H 41 7.883 7.883 7.894 -0.011 19604 11279 1 17 . 1 1 42 42 ASN N N 42 116.488 116.488 122.597 -6.109 19604 11280 1 17 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.045 0.167 19604 11281 1 17 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.880 1.248 19604 11282 1 17 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.091 0.080 19604 11283 1 17 . 1 1 42 42 ASN H H 42 8.697 8.697 8.534 0.163 19604 11284 1 17 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.592 0.192 19604 11285 1 17 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.622 -0.300 19604 11286 1 17 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.713 -0.435 19604 11287 1 17 . 1 1 44 44 THR N N 44 112.452 112.452 112.454 -0.002 19604 11288 1 17 . 1 1 44 44 THR HA H 44 4.461 4.461 4.417 0.044 19604 11289 1 17 . 1 1 44 44 THR CA C 44 60.411 60.411 60.889 -0.478 19604 11290 1 17 . 1 1 44 44 THR CB C 44 71.068 71.068 71.091 -0.023 19604 11291 1 17 . 1 1 44 44 THR H H 44 8.678 8.678 8.264 0.414 19604 11292 1 17 . 1 1 45 45 GLU N N 45 120.954 120.954 123.121 -2.167 19604 11293 1 17 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.927 0.083 19604 11294 1 17 . 1 1 45 45 GLU CA C 45 59.883 59.883 59.752 0.131 19604 11295 1 17 . 1 1 45 45 GLU H H 45 8.803 8.803 8.935 -0.132 19604 11296 1 17 . 1 1 46 46 ALA N N 46 120.643 120.643 121.507 -0.864 19604 11297 1 17 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.173 -0.056 19604 11298 1 17 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.484 0.529 19604 11299 1 17 . 1 1 46 46 ALA CB C 46 18.173 18.173 17.968 0.204 19604 11300 1 17 . 1 1 46 46 ALA H H 46 8.272 8.272 8.286 -0.014 19604 11301 1 17 . 1 1 47 47 GLU N N 47 119.059 119.059 120.047 -0.988 19604 11302 1 17 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.078 -0.043 19604 11303 1 17 . 1 1 47 47 GLU CA C 47 59.163 59.163 58.956 0.207 19604 11304 1 17 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.692 0.234 19604 11305 1 17 . 1 1 47 47 GLU H H 47 7.686 7.686 7.563 0.123 19604 11306 1 17 . 1 1 48 48 LEU N N 48 119.848 119.848 119.913 -0.065 19604 11307 1 17 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.960 0.065 19604 11308 1 17 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.200 -0.359 19604 11309 1 17 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.973 0.457 19604 11310 1 17 . 1 1 48 48 LEU H H 48 8.036 8.036 8.454 -0.418 19604 11311 1 17 . 1 1 49 49 GLN N N 49 118.226 118.226 117.922 0.304 19604 11312 1 17 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.976 -0.173 19604 11313 1 17 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.500 0.061 19604 11314 1 17 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.884 0.358 19604 11315 1 17 . 1 1 49 49 GLN H H 49 8.323 8.323 7.842 0.481 19604 11316 1 17 . 1 1 50 50 ASP N N 50 119.928 119.928 120.896 -0.968 19604 11317 1 17 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.345 0.053 19604 11318 1 17 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.207 0.402 19604 11319 1 17 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.774 -0.141 19604 11320 1 17 . 1 1 50 50 ASP H H 50 8.147 8.147 7.743 0.404 19604 11321 1 17 . 1 1 51 51 MET N N 51 117.796 117.796 115.544 2.252 19604 11322 1 17 . 1 1 51 51 MET HA H 51 4.050 4.050 4.264 -0.214 19604 11323 1 17 . 1 1 51 51 MET CA C 51 59.555 59.555 58.802 0.753 19604 11324 1 17 . 1 1 51 51 MET CB C 51 32.846 32.846 32.647 0.199 19604 11325 1 17 . 1 1 51 51 MET H H 51 7.814 7.814 7.468 0.346 19604 11326 1 17 . 1 1 52 52 ILE N N 52 118.474 118.474 120.336 -1.862 19604 11327 1 17 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.581 0.018 19604 11328 1 17 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.021 -0.915 19604 11329 1 17 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.536 -0.477 19604 11330 1 17 . 1 1 52 52 ILE H H 52 7.685 7.685 7.779 -0.094 19604 11331 1 17 . 1 1 53 53 ASN N N 53 118.591 118.591 117.663 0.928 19604 11332 1 17 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.581 -0.164 19604 11333 1 17 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.475 0.430 19604 11334 1 17 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.039 -0.048 19604 11335 1 17 . 1 1 53 53 ASN H H 53 8.786 8.786 8.495 0.291 19604 11336 1 17 . 1 1 54 54 GLU N N 54 115.327 115.327 117.095 -1.768 19604 11337 1 17 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.225 -0.177 19604 11338 1 17 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.178 0.898 19604 11339 1 17 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.947 0.978 19604 11340 1 17 . 1 1 54 54 GLU H H 54 7.368 7.368 7.596 -0.228 19604 11341 1 17 . 1 1 55 55 VAL N N 55 111.285 111.285 110.755 0.530 19604 11342 1 17 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.193 0.034 19604 11343 1 17 . 1 1 55 55 VAL CA C 55 60.832 60.832 61.579 -0.747 19604 11344 1 17 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.248 1.068 19604 11345 1 17 . 1 1 55 55 VAL H H 55 7.133 7.133 7.143 -0.010 19604 11346 1 17 . 1 1 56 56 ASP N N 56 121.291 121.291 121.574 -0.283 19604 11347 1 17 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.814 -0.346 19604 11348 1 17 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.589 0.111 19604 11349 1 17 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.503 0.080 19604 11350 1 17 . 1 1 56 56 ASP H H 56 7.567 7.567 7.447 0.120 19604 11351 1 17 . 1 1 57 57 ALA N N 57 131.432 131.432 130.658 0.774 19604 11352 1 17 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.176 0.053 19604 11353 1 17 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.826 0.529 19604 11354 1 17 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.839 -0.144 19604 11355 1 17 . 1 1 57 57 ALA H H 57 8.064 8.064 8.135 -0.071 19604 11356 1 17 . 1 1 58 58 ASP N N 58 114.063 114.063 116.055 -1.992 19604 11357 1 17 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.598 0.039 19604 11358 1 17 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.290 -0.522 19604 11359 1 17 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.402 -0.554 19604 11360 1 17 . 1 1 58 58 ASP H H 58 8.211 8.211 8.247 -0.036 19604 11361 1 17 . 1 1 59 59 GLY N N 59 108.646 108.646 108.892 -0.246 19604 11362 1 17 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.946 1.254 19604 11363 1 17 . 1 1 59 59 GLY H H 59 7.584 7.584 7.915 -0.331 19604 11364 1 17 . 1 1 60 60 ASN N N 60 118.886 118.886 118.400 0.486 19604 11365 1 17 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.772 -0.152 19604 11366 1 17 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.312 0.365 19604 11367 1 17 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.616 -2.037 19604 11368 1 17 . 1 1 60 60 ASN H H 60 8.162 8.162 8.693 -0.531 19604 11369 1 17 . 1 1 61 61 GLY N N 61 113.458 113.458 109.879 3.579 19604 11370 1 17 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.270 0.369 19604 11371 1 17 . 1 1 61 61 GLY H H 61 10.568 10.568 8.993 1.575 19604 11372 1 17 . 1 1 62 62 THR N N 62 108.490 108.490 109.583 -1.093 19604 11373 1 17 . 1 1 62 62 THR HA H 62 4.800 4.800 4.996 -0.196 19604 11374 1 17 . 1 1 62 62 THR CA C 62 59.327 59.327 59.467 -0.140 19604 11375 1 17 . 1 1 62 62 THR CB C 62 72.409 72.409 72.383 0.026 19604 11376 1 17 . 1 1 62 62 THR H H 62 7.643 7.643 8.333 -0.690 19604 11377 1 17 . 1 1 63 63 ILE N N 63 123.350 123.350 121.259 2.091 19604 11378 1 17 . 1 1 63 63 ILE HA H 63 5.214 5.214 5.027 0.187 19604 11379 1 17 . 1 1 63 63 ILE CA C 63 59.051 59.051 59.986 -0.935 19604 11380 1 17 . 1 1 63 63 ILE CB C 63 39.605 39.605 39.119 0.486 19604 11381 1 17 . 1 1 63 63 ILE H H 63 8.544 8.544 8.382 0.162 19604 11382 1 17 . 1 1 64 64 ASP N N 64 128.480 128.480 127.864 0.616 19604 11383 1 17 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.226 0.281 19604 11384 1 17 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.789 -1.804 19604 11385 1 17 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.595 -0.392 19604 11386 1 17 . 1 1 64 64 ASP H H 64 8.902 8.902 8.346 0.556 19604 11387 1 17 . 1 1 65 65 PHE N N 65 118.622 118.622 120.113 -1.491 19604 11388 1 17 . 1 1 65 65 PHE HA H 65 3.979 3.979 2.684 1.295 19604 11389 1 17 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.132 1.954 19604 11390 1 17 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.406 -0.504 19604 11391 1 17 . 1 1 65 65 PHE H H 65 8.967 8.967 8.424 0.543 19604 11392 1 17 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.598 0.290 19604 11393 1 17 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.838 2.012 19604 11394 1 17 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.661 0.139 19604 11395 1 17 . 1 1 67 67 GLU N N 67 118.243 118.243 119.188 -0.945 19604 11396 1 17 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.946 0.019 19604 11397 1 17 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.583 -0.538 19604 11398 1 17 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.957 0.917 19604 11399 1 17 . 1 1 67 67 GLU H H 67 8.420 8.420 8.171 0.249 19604 11400 1 17 . 1 1 68 68 PHE N N 68 124.020 124.020 119.522 4.498 19604 11401 1 17 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.297 -0.512 19604 11402 1 17 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.946 0.541 19604 11403 1 17 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.638 1.144 19604 11404 1 17 . 1 1 68 68 PHE H H 68 8.638 8.638 7.533 1.105 19604 11405 1 17 . 1 1 69 69 LEU N N 69 120.062 120.062 120.354 -0.292 19604 11406 1 17 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.816 -0.448 19604 11407 1 17 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.683 0.171 19604 11408 1 17 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.392 -0.007 19604 11409 1 17 . 1 1 69 69 LEU H H 69 8.972 8.972 7.321 1.651 19604 11410 1 17 . 1 1 70 70 THR N N 70 115.488 115.488 114.464 1.024 19604 11411 1 17 . 1 1 70 70 THR HA H 70 3.697 3.697 3.724 -0.027 19604 11412 1 17 . 1 1 70 70 THR CA C 70 66.558 66.558 66.231 0.327 19604 11413 1 17 . 1 1 70 70 THR CB C 70 68.396 68.396 68.429 -0.033 19604 11414 1 17 . 1 1 70 70 THR H H 70 7.855 7.855 8.176 -0.321 19604 11415 1 17 . 1 1 71 71 MET N N 71 119.627 119.627 120.223 -0.596 19604 11416 1 17 . 1 1 71 71 MET HA H 71 3.757 3.757 3.937 -0.180 19604 11417 1 17 . 1 1 71 71 MET CA C 71 58.334 58.334 59.022 -0.688 19604 11418 1 17 . 1 1 71 71 MET CB C 71 30.736 30.736 32.171 -1.435 19604 11419 1 17 . 1 1 71 71 MET H H 71 7.155 7.155 7.245 -0.090 19604 11420 1 17 . 1 1 72 72 MET N N 72 116.046 116.046 116.737 -0.691 19604 11421 1 17 . 1 1 72 72 MET HA H 72 3.977 3.977 4.136 -0.159 19604 11422 1 17 . 1 1 72 72 MET CA C 72 55.138 55.138 57.479 -2.341 19604 11423 1 17 . 1 1 72 72 MET CB C 72 29.103 29.103 32.017 -2.914 19604 11424 1 17 . 1 1 72 72 MET H H 72 7.646 7.646 7.325 0.321 19604 11425 1 17 . 1 1 73 73 ALA N N 73 120.685 120.685 121.777 -1.092 19604 11426 1 17 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.891 0.291 19604 11427 1 17 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.931 -1.831 19604 11428 1 17 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.851 1.441 19604 11429 1 17 . 1 1 73 73 ALA H H 73 8.080 8.080 8.178 -0.098 19604 11430 1 17 . 1 1 74 74 ARG N N 74 118.501 118.501 118.275 0.226 19604 11431 1 17 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.973 0.215 19604 11432 1 17 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.782 -1.805 19604 11433 1 17 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.006 0.511 19604 11434 1 17 . 1 1 74 74 ARG H H 74 7.367 7.367 7.771 -0.404 19604 11435 1 17 . 1 1 76 76 MET HA H 76 4.413 4.413 4.159 0.254 19604 11436 1 17 . 1 1 76 76 MET CA C 76 55.804 55.804 57.862 -2.058 19604 11437 1 17 . 1 1 76 76 MET CB C 76 33.291 33.291 33.193 0.098 19604 11438 1 17 . 1 1 77 77 LYS N N 77 121.563 121.563 116.171 5.392 19604 11439 1 17 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.487 -0.166 19604 11440 1 17 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.904 0.513 19604 11441 1 17 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.846 -1.595 19604 11442 1 17 . 1 1 77 77 LYS H H 77 8.253 8.253 7.621 0.632 19604 11443 1 17 . 1 1 78 78 ASP N N 78 121.953 121.953 121.034 0.919 19604 11444 1 17 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.687 -0.069 19604 11445 1 17 . 1 1 78 78 ASP CA C 78 54.855 54.855 53.853 1.002 19604 11446 1 17 . 1 1 78 78 ASP CB C 78 41.116 41.116 41.903 -0.787 19604 11447 1 17 . 1 1 78 78 ASP H H 78 8.362 8.362 8.404 -0.042 19604 11448 1 17 . 1 1 79 79 THR N N 79 113.276 113.276 114.402 -1.126 19604 11449 1 17 . 1 1 79 79 THR HA H 79 4.305 4.305 4.569 -0.264 19604 11450 1 17 . 1 1 79 79 THR CA C 79 62.124 62.124 62.414 -0.290 19604 11451 1 17 . 1 1 79 79 THR CB C 79 69.634 69.634 68.947 0.687 19604 11452 1 17 . 1 1 79 79 THR H H 79 8.014 8.014 8.049 -0.035 19604 11453 1 17 . 1 1 80 80 ASP N N 80 122.850 122.850 123.324 -0.474 19604 11454 1 17 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.764 -0.089 19604 11455 1 17 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.141 0.514 19604 11456 1 17 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.765 -0.341 19604 11457 1 17 . 1 1 80 80 ASP H H 80 8.316 8.316 8.681 -0.365 19604 11458 1 17 . 1 1 81 81 SER N N 81 116.864 116.864 117.717 -0.853 19604 11459 1 17 . 1 1 81 81 SER HA H 81 4.429 4.429 4.032 0.397 19604 11460 1 17 . 1 1 81 81 SER CA C 81 59.337 59.337 61.717 -2.380 19604 11461 1 17 . 1 1 81 81 SER CB C 81 63.672 63.672 62.568 1.104 19604 11462 1 17 . 1 1 81 81 SER H H 81 8.391 8.391 8.568 -0.177 19604 11463 1 17 . 1 1 82 82 GLU N N 82 122.561 122.561 122.104 0.457 19604 11464 1 17 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.002 0.071 19604 11465 1 17 . 1 1 82 82 GLU CA C 82 59.179 59.179 58.878 0.301 19604 11466 1 17 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.446 0.066 19604 11467 1 17 . 1 1 82 82 GLU H H 82 8.479 8.479 8.772 -0.293 19604 11468 1 17 . 1 1 83 83 GLU N N 83 119.348 119.348 120.257 -0.909 19604 11469 1 17 . 1 1 83 83 GLU HA H 83 4.044 4.044 3.997 0.047 19604 11470 1 17 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.746 -0.099 19604 11471 1 17 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.410 0.121 19604 11472 1 17 . 1 1 83 83 GLU H H 83 8.279 8.279 8.543 -0.264 19604 11473 1 17 . 1 1 84 84 GLU N N 84 118.810 118.810 119.135 -0.325 19604 11474 1 17 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.095 0.018 19604 11475 1 17 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.314 0.163 19604 11476 1 17 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.590 0.079 19604 11477 1 17 . 1 1 84 84 GLU H H 84 8.062 8.062 8.225 -0.163 19604 11478 1 17 . 1 1 85 85 ILE N N 85 122.019 122.019 119.765 2.254 19604 11479 1 17 . 1 1 85 85 ILE HA H 85 3.918 3.918 3.947 -0.029 19604 11480 1 17 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.397 -0.070 19604 11481 1 17 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.102 -0.673 19604 11482 1 17 . 1 1 85 85 ILE H H 85 8.008 8.008 7.243 0.765 19604 11483 1 17 . 1 1 86 86 ARG N N 86 121.851 121.851 120.221 1.630 19604 11484 1 17 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.133 0.033 19604 11485 1 17 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.891 0.135 19604 11486 1 17 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.081 -0.114 19604 11487 1 17 . 1 1 86 86 ARG H H 86 8.446 8.446 8.243 0.203 19604 11488 1 17 . 1 1 87 87 GLU N N 87 118.621 118.621 119.013 -0.392 19604 11489 1 17 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.046 0.064 19604 11490 1 17 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.515 -0.408 19604 11491 1 17 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.445 -0.019 19604 11492 1 17 . 1 1 87 87 GLU H H 87 8.149 8.149 8.270 -0.121 19604 11493 1 17 . 1 1 88 88 ALA N N 88 121.741 121.741 122.179 -0.438 19604 11494 1 17 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.793 0.232 19604 11495 1 17 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.726 0.260 19604 11496 1 17 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.396 -0.672 19604 11497 1 17 . 1 1 88 88 ALA H H 88 7.880 7.880 7.506 0.374 19604 11498 1 17 . 1 1 89 89 PHE N N 89 118.057 118.057 119.348 -1.291 19604 11499 1 17 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.633 -0.484 19604 11500 1 17 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.083 1.283 19604 11501 1 17 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.891 0.446 19604 11502 1 17 . 1 1 89 89 PHE H H 89 8.463 8.463 8.085 0.378 19604 11503 1 17 . 1 1 90 90 ARG N N 90 115.723 115.723 118.180 -2.457 19604 11504 1 17 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.807 0.085 19604 11505 1 17 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.282 -0.394 19604 11506 1 17 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.234 0.172 19604 11507 1 17 . 1 1 90 90 ARG H H 90 7.775 7.775 7.616 0.159 19604 11508 1 17 . 1 1 91 91 VAL N N 91 118.161 118.161 116.828 1.333 19604 11509 1 17 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.647 -0.123 19604 11510 1 17 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.062 0.534 19604 11511 1 17 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.612 -0.068 19604 11512 1 17 . 1 1 91 91 VAL H H 91 7.484 7.484 7.177 0.307 19604 11513 1 17 . 1 1 92 92 PHE N N 92 117.398 117.398 114.633 2.765 19604 11514 1 17 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.431 -0.153 19604 11515 1 17 . 1 1 92 92 PHE CA C 92 58.681 58.681 56.895 1.786 19604 11516 1 17 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.784 1.070 19604 11517 1 17 . 1 1 92 92 PHE H H 92 7.544 7.544 6.962 0.582 19604 11518 1 17 . 1 1 93 93 ASP N N 93 117.503 117.503 120.407 -2.904 19604 11519 1 17 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.444 0.096 19604 11520 1 17 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.907 -1.724 19604 11521 1 17 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.698 -1.271 19604 11522 1 17 . 1 1 93 93 ASP H H 93 7.963 7.963 7.721 0.242 19604 11523 1 17 . 1 1 94 94 LYS N N 94 125.976 125.976 124.681 1.295 19604 11524 1 17 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.108 -0.202 19604 11525 1 17 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.181 0.881 19604 11526 1 17 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.752 0.282 19604 11527 1 17 . 1 1 94 94 LYS H H 94 7.585 7.585 7.956 -0.371 19604 11528 1 17 . 1 1 95 95 ASP N N 95 114.100 114.100 115.576 -1.476 19604 11529 1 17 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.485 0.069 19604 11530 1 17 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.700 -0.634 19604 11531 1 17 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.241 -0.492 19604 11532 1 17 . 1 1 95 95 ASP H H 95 8.186 8.186 7.833 0.353 19604 11533 1 17 . 1 1 96 96 GLY N N 96 109.383 109.383 107.989 1.394 19604 11534 1 17 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.055 1.093 19604 11535 1 17 . 1 1 96 96 GLY H H 96 7.809 7.809 7.812 -0.003 19604 11536 1 17 . 1 1 97 97 ASN N N 97 119.744 119.744 119.098 0.646 19604 11537 1 17 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.666 -0.020 19604 11538 1 17 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.689 -0.034 19604 11539 1 17 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.999 -0.810 19604 11540 1 17 . 1 1 97 97 ASN H H 97 8.336 8.336 8.534 -0.198 19604 11541 1 17 . 1 1 98 98 GLY N N 98 112.937 112.937 107.398 5.539 19604 11542 1 17 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.469 -0.437 19604 11543 1 17 . 1 1 98 98 GLY H H 98 10.653 10.653 8.632 2.021 19604 11544 1 17 . 1 1 99 99 TYR N N 99 115.956 115.956 118.024 -2.068 19604 11545 1 17 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.033 0.028 19604 11546 1 17 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.566 -1.377 19604 11547 1 17 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.740 0.304 19604 11548 1 17 . 1 1 99 99 TYR H H 99 7.630 7.630 8.430 -0.800 19604 11549 1 17 . 1 1 100 100 ILE N N 100 127.360 127.360 123.036 4.324 19604 11550 1 17 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.716 0.068 19604 11551 1 17 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.184 0.834 19604 11552 1 17 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.672 -1.687 19604 11553 1 17 . 1 1 100 100 ILE H H 100 10.174 10.174 9.206 0.968 19604 11554 1 17 . 1 1 101 101 SER N N 101 124.117 124.117 122.172 1.945 19604 11555 1 17 . 1 1 101 101 SER HA H 101 4.885 4.885 5.042 -0.157 19604 11556 1 17 . 1 1 101 101 SER CA C 101 55.722 55.722 55.624 0.098 19604 11557 1 17 . 1 1 101 101 SER CB C 101 66.631 66.631 66.452 0.179 19604 11558 1 17 . 1 1 101 101 SER H H 101 8.977 8.977 8.180 0.797 19604 11559 1 17 . 1 1 102 102 ALA N N 102 123.057 123.057 123.178 -0.121 19604 11560 1 17 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.147 -0.223 19604 11561 1 17 . 1 1 102 102 ALA CA C 102 55.954 55.954 54.844 1.110 19604 11562 1 17 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.443 -0.552 19604 11563 1 17 . 1 1 102 102 ALA H H 102 9.261 9.261 9.056 0.205 19604 11564 1 17 . 1 1 103 103 ALA N N 103 118.685 118.685 121.430 -2.745 19604 11565 1 17 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.095 -0.071 19604 11566 1 17 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.773 0.446 19604 11567 1 17 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.582 -0.267 19604 11568 1 17 . 1 1 103 103 ALA H H 103 8.271 8.271 7.652 0.619 19604 11569 1 17 . 1 1 104 104 GLU N N 104 119.737 119.737 118.950 0.787 19604 11570 1 17 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.064 -0.027 19604 11571 1 17 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.858 0.392 19604 11572 1 17 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.730 -0.514 19604 11573 1 17 . 1 1 104 104 GLU H H 104 7.857 7.857 7.510 0.347 19604 11574 1 17 . 1 1 105 105 LEU N N 105 122.037 122.037 120.716 1.321 19604 11575 1 17 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.911 0.125 19604 11576 1 17 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.971 0.081 19604 11577 1 17 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.835 0.279 19604 11578 1 17 . 1 1 105 105 LEU H H 105 8.685 8.685 8.608 0.077 19604 11579 1 17 . 1 1 106 106 ARG N N 106 118.484 118.484 117.784 0.700 19604 11580 1 17 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.839 -0.131 19604 11581 1 17 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.780 0.250 19604 11582 1 17 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.729 0.588 19604 11583 1 17 . 1 1 106 106 ARG H H 106 8.682 8.682 7.674 1.008 19604 11584 1 17 . 1 1 107 107 HIS N N 107 118.917 118.917 117.774 1.143 19604 11585 1 17 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.367 -0.070 19604 11586 1 17 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.175 0.667 19604 11587 1 17 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.250 1.325 19604 11588 1 17 . 1 1 107 107 HIS H H 107 7.803 7.803 7.677 0.126 19604 11589 1 17 . 1 1 108 108 VAL N N 108 119.662 119.662 119.811 -0.149 19604 11590 1 17 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.708 -0.250 19604 11591 1 17 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.651 0.801 19604 11592 1 17 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.127 0.466 19604 11593 1 17 . 1 1 108 108 VAL H H 108 7.887 7.887 7.883 0.004 19604 11594 1 17 . 1 1 109 109 MET N N 109 115.981 115.981 117.367 -1.386 19604 11595 1 17 . 1 1 109 109 MET HA H 109 4.296 4.296 4.198 0.098 19604 11596 1 17 . 1 1 109 109 MET CA C 109 57.062 57.062 57.806 -0.744 19604 11597 1 17 . 1 1 109 109 MET H H 109 8.128 8.128 7.999 0.129 19604 11598 1 17 . 1 1 110 110 THR N N 110 116.866 116.866 112.795 4.071 19604 11599 1 17 . 1 1 110 110 THR HA H 110 4.080 4.080 4.133 -0.053 19604 11600 1 17 . 1 1 110 110 THR CA C 110 66.402 66.402 65.605 0.797 19604 11601 1 17 . 1 1 110 110 THR CB C 110 68.574 68.574 68.291 0.283 19604 11602 1 17 . 1 1 110 110 THR H H 110 8.302 8.302 8.435 -0.134 19604 11603 1 17 . 1 1 111 111 ASN N N 111 122.811 122.811 120.487 2.324 19604 11604 1 17 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.444 0.001 19604 11605 1 17 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.416 0.395 19604 11606 1 17 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.294 -0.319 19604 11607 1 17 . 1 1 111 111 ASN H H 111 7.849 7.849 7.761 0.088 19604 11608 1 17 . 1 1 112 112 LEU N N 112 118.869 118.869 118.034 0.835 19604 11609 1 17 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.277 0.068 19604 11610 1 17 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.874 -0.783 19604 11611 1 17 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.491 -0.411 19604 11612 1 17 . 1 1 112 112 LEU H H 112 7.666 7.666 7.571 0.095 19604 11613 1 17 . 1 1 113 113 GLY N N 113 107.124 107.124 106.099 1.025 19604 11614 1 17 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.466 0.950 19604 11615 1 17 . 1 1 113 113 GLY H H 113 7.818 7.818 7.838 -0.020 19604 11616 1 17 . 1 1 114 114 GLU N N 114 120.113 120.113 120.671 -0.558 19604 11617 1 17 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.582 -0.155 19604 11618 1 17 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.566 0.030 19604 11619 1 17 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.830 -1.120 19604 11620 1 17 . 1 1 114 114 GLU H H 114 7.895 7.895 7.767 0.128 19604 11621 1 17 . 1 1 115 115 LYS N N 115 124.920 124.920 125.734 -0.814 19604 11622 1 17 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.278 0.102 19604 11623 1 17 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.719 -1.326 19604 11624 1 17 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.687 -0.642 19604 11625 1 17 . 1 1 115 115 LYS H H 115 8.583 8.583 8.564 0.019 19604 11626 1 17 . 1 1 116 116 LEU N N 116 124.979 124.979 124.767 0.212 19604 11627 1 17 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.655 0.112 19604 11628 1 17 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.864 0.217 19604 11629 1 17 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.270 -0.738 19604 11630 1 17 . 1 1 116 116 LEU H H 116 8.082 8.082 7.968 0.114 19604 11631 1 17 . 1 1 117 117 THR N N 117 114.448 114.448 111.623 2.825 19604 11632 1 17 . 1 1 117 117 THR HA H 117 4.452 4.452 4.574 -0.122 19604 11633 1 17 . 1 1 117 117 THR CA C 117 60.690 60.690 59.981 0.709 19604 11634 1 17 . 1 1 117 117 THR CB C 117 71.051 71.051 70.635 0.416 19604 11635 1 17 . 1 1 117 117 THR H H 117 9.172 9.172 8.128 1.044 19604 11636 1 17 . 1 1 118 118 ASP N N 118 121.175 121.175 120.686 0.489 19604 11637 1 17 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.262 -0.049 19604 11638 1 17 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.540 -0.548 19604 11639 1 17 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.551 -0.881 19604 11640 1 17 . 1 1 118 118 ASP H H 118 8.889 8.889 8.769 0.120 19604 11641 1 17 . 1 1 119 119 GLU N N 119 119.386 119.386 119.367 0.019 19604 11642 1 17 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.150 -0.062 19604 11643 1 17 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.667 1.346 19604 11644 1 17 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.454 -0.282 19604 11645 1 17 . 1 1 119 119 GLU H H 119 8.665 8.665 8.331 0.334 19604 11646 1 17 . 1 1 120 120 GLU N N 120 120.564 120.564 120.167 0.397 19604 11647 1 17 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.055 -0.073 19604 11648 1 17 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.194 0.058 19604 11649 1 17 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.300 1.460 19604 11650 1 17 . 1 1 120 120 GLU H H 120 7.715 7.715 7.707 0.008 19604 11651 1 17 . 1 1 121 121 VAL N N 121 120.955 120.955 116.552 4.403 19604 11652 1 17 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.843 -0.387 19604 11653 1 17 . 1 1 121 121 VAL CA C 121 66.881 66.881 65.821 1.060 19604 11654 1 17 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.124 0.206 19604 11655 1 17 . 1 1 121 121 VAL H H 121 8.050 8.050 7.879 0.171 19604 11656 1 17 . 1 1 122 122 ASP N N 122 120.016 120.016 120.267 -0.251 19604 11657 1 17 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.442 -0.079 19604 11658 1 17 . 1 1 122 122 ASP CA C 122 57.714 57.714 56.926 0.788 19604 11659 1 17 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.902 -0.449 19604 11660 1 17 . 1 1 122 122 ASP H H 122 7.980 7.980 7.915 0.065 19604 11661 1 17 . 1 1 123 123 GLU N N 123 119.913 119.913 120.759 -0.846 19604 11662 1 17 . 1 1 123 123 GLU HA H 123 4.045 4.045 3.930 0.115 19604 11663 1 17 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.789 -0.484 19604 11664 1 17 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.703 -0.424 19604 11665 1 17 . 1 1 123 123 GLU H H 123 8.033 8.033 7.706 0.327 19604 11666 1 17 . 1 1 124 124 MET N N 124 119.642 119.642 116.295 3.347 19604 11667 1 17 . 1 1 124 124 MET HA H 124 4.175 4.175 4.229 -0.054 19604 11668 1 17 . 1 1 124 124 MET CA C 124 60.420 60.420 58.950 1.470 19604 11669 1 17 . 1 1 124 124 MET CB C 124 33.408 33.408 32.455 0.953 19604 11670 1 17 . 1 1 124 124 MET H H 124 7.930 7.930 7.407 0.523 19604 11671 1 17 . 1 1 125 125 ILE N N 125 119.663 119.663 120.126 -0.463 19604 11672 1 17 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.717 -0.008 19604 11673 1 17 . 1 1 125 125 ILE CA C 125 64.339 64.339 63.612 0.727 19604 11674 1 17 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.414 -0.079 19604 11675 1 17 . 1 1 125 125 ILE H H 125 8.147 8.147 7.593 0.554 19604 11676 1 17 . 1 1 126 126 ARG N N 126 118.998 118.998 118.955 0.043 19604 11677 1 17 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.974 0.098 19604 11678 1 17 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.415 0.413 19604 11679 1 17 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.172 0.159 19604 11680 1 17 . 1 1 126 126 ARG H H 126 8.431 8.431 7.855 0.576 19604 11681 1 17 . 1 1 127 127 GLU N N 127 116.058 116.058 118.541 -2.483 19604 11682 1 17 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.179 -0.195 19604 11683 1 17 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.430 0.375 19604 11684 1 17 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.840 -0.034 19604 11685 1 17 . 1 1 127 127 GLU H H 127 7.899 7.899 7.804 0.095 19604 11686 1 17 . 1 1 128 128 ALA N N 128 117.702 117.702 119.829 -2.127 19604 11687 1 17 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.238 0.215 19604 11688 1 17 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.115 -1.395 19604 11689 1 17 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.695 2.691 19604 11690 1 17 . 1 1 128 128 ALA H H 128 7.222 7.222 7.434 -0.212 19604 11691 1 17 . 1 1 129 129 ASP N N 129 117.996 117.996 119.737 -1.741 19604 11692 1 17 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.696 -0.199 19604 11693 1 17 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.184 0.152 19604 11694 1 17 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.580 1.102 19604 11695 1 17 . 1 1 129 129 ASP H H 129 7.947 7.947 7.966 -0.019 19604 11696 1 17 . 1 1 130 130 ILE N N 130 128.199 128.199 124.435 3.764 19604 11697 1 17 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.849 0.059 19604 11698 1 17 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.596 -0.163 19604 11699 1 17 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.500 0.238 19604 11700 1 17 . 1 1 130 130 ILE H H 130 8.399 8.399 8.073 0.326 19604 11701 1 17 . 1 1 131 131 ASP N N 131 116.628 116.628 117.520 -0.892 19604 11702 1 17 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.497 0.016 19604 11703 1 17 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.906 -0.078 19604 11704 1 17 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.379 -0.390 19604 11705 1 17 . 1 1 131 131 ASP H H 131 8.258 8.258 8.435 -0.177 19604 11706 1 17 . 1 1 132 132 GLY N N 132 108.616 108.616 108.415 0.201 19604 11707 1 17 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.060 1.467 19604 11708 1 17 . 1 1 132 132 GLY H H 132 7.559 7.559 7.656 -0.097 19604 11709 1 17 . 1 1 133 133 ASP N N 133 120.901 120.901 119.795 1.106 19604 11710 1 17 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.583 -0.105 19604 11711 1 17 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.642 0.010 19604 11712 1 17 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.372 -1.101 19604 11713 1 17 . 1 1 133 133 ASP H H 133 8.340 8.340 8.693 -0.353 19604 11714 1 17 . 1 1 134 134 GLY N N 134 112.918 112.918 108.964 3.954 19604 11715 1 17 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.975 0.893 19604 11716 1 17 . 1 1 134 134 GLY H H 134 10.366 10.366 8.765 1.601 19604 11717 1 17 . 1 1 135 135 GLN N N 135 115.297 115.297 117.785 -2.488 19604 11718 1 17 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.659 0.258 19604 11719 1 17 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.816 -1.589 19604 11720 1 17 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.488 -1.146 19604 11721 1 17 . 1 1 135 135 GLN H H 135 8.012 8.012 8.537 -0.525 19604 11722 1 17 . 1 1 136 136 VAL N N 136 125.463 125.463 122.394 3.069 19604 11723 1 17 . 1 1 136 136 VAL HA H 136 5.218 5.218 4.955 0.263 19604 11724 1 17 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.824 0.839 19604 11725 1 17 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.428 1.330 19604 11726 1 17 . 1 1 136 136 VAL H H 136 9.133 9.133 8.686 0.447 19604 11727 1 17 . 1 1 137 137 ASN N N 137 129.402 129.402 126.384 3.018 19604 11728 1 17 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.648 0.651 19604 11729 1 17 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.633 0.393 19604 11730 1 17 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.406 -1.121 19604 11731 1 17 . 1 1 137 137 ASN H H 137 9.634 9.634 8.696 0.938 19604 11732 1 17 . 1 1 138 138 TYR N N 138 118.585 118.585 122.438 -3.853 19604 11733 1 17 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.265 0.077 19604 11734 1 17 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.440 0.077 19604 11735 1 17 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.210 -0.514 19604 11736 1 17 . 1 1 138 138 TYR H H 138 8.400 8.400 8.180 0.220 19604 11737 1 17 . 1 1 139 139 GLU N N 139 118.692 118.692 118.963 -0.271 19604 11738 1 17 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.667 -0.049 19604 11739 1 17 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.797 0.517 19604 11740 1 17 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.119 -0.119 19604 11741 1 17 . 1 1 139 139 GLU H H 139 8.095 8.095 8.587 -0.492 19604 11742 1 17 . 1 1 140 140 GLU N N 140 119.980 119.980 119.651 0.329 19604 11743 1 17 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.080 -0.175 19604 11744 1 17 . 1 1 140 140 GLU CA C 140 58.532 58.532 59.109 -0.577 19604 11745 1 17 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.861 -0.154 19604 11746 1 17 . 1 1 140 140 GLU H H 140 8.759 8.759 8.337 0.422 19604 11747 1 17 . 1 1 141 141 PHE N N 141 123.408 123.408 121.873 1.535 19604 11748 1 17 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.079 -0.348 19604 11749 1 17 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.891 0.093 19604 11750 1 17 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.261 0.912 19604 11751 1 17 . 1 1 141 141 PHE H H 141 8.639 8.639 8.711 -0.072 19604 11752 1 17 . 1 1 142 142 VAL N N 142 119.839 119.839 118.825 1.014 19604 11753 1 17 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.325 -0.281 19604 11754 1 17 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.419 0.699 19604 11755 1 17 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.301 0.214 19604 11756 1 17 . 1 1 142 142 VAL H H 142 8.781 8.781 8.457 0.324 19604 11757 1 17 . 1 1 143 143 GLN N N 143 118.240 118.240 118.404 -0.164 19604 11758 1 17 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.936 -0.134 19604 11759 1 17 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.751 0.066 19604 11760 1 17 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.749 -0.574 19604 11761 1 17 . 1 1 143 143 GLN H H 143 7.491 7.491 7.270 0.221 19604 11762 1 17 . 1 1 144 144 MET N N 144 116.028 116.028 119.028 -3.000 19604 11763 1 17 . 1 1 144 144 MET HA H 144 4.145 4.145 4.244 -0.099 19604 11764 1 17 . 1 1 144 144 MET CA C 144 55.939 55.939 57.534 -1.595 19604 11765 1 17 . 1 1 144 144 MET CB C 144 31.345 31.345 32.476 -1.131 19604 11766 1 17 . 1 1 144 144 MET H H 144 7.176 7.176 8.513 -1.337 19604 11767 1 17 . 1 1 145 145 MET N N 145 116.272 116.272 117.358 -1.086 19604 11768 1 17 . 1 1 145 145 MET HA H 145 4.301 4.301 4.037 0.264 19604 11769 1 17 . 1 1 145 145 MET CA C 145 55.416 55.416 57.400 -1.984 19604 11770 1 17 . 1 1 145 145 MET CB C 145 32.831 32.831 31.849 0.982 19604 11771 1 17 . 1 1 145 145 MET H H 145 7.831 7.831 8.094 -0.263 19604 11772 1 17 . 1 1 146 146 THR N N 146 110.389 110.389 114.160 -3.771 19604 11773 1 17 . 1 1 146 146 THR HA H 146 4.308 4.308 4.278 0.030 19604 11774 1 17 . 1 1 146 146 THR CA C 146 61.942 61.942 63.042 -1.100 19604 11775 1 17 . 1 1 146 146 THR CB C 146 70.244 70.244 69.510 0.734 19604 11776 1 17 . 1 1 146 146 THR H H 146 7.474 7.474 7.421 0.053 19604 11777 1 17 . 1 1 147 147 ALA N N 147 126.864 126.864 125.381 1.483 19604 11778 1 17 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.087 0.121 19604 11779 1 17 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.543 0.455 19604 11780 1 17 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.572 -0.456 19604 11781 1 17 . 1 1 147 147 ALA H H 147 7.622 7.622 7.305 0.317 19604 11782 1 18 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.378 0.262 19604 11783 1 18 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.794 -0.181 19604 11784 1 18 . 1 1 2 2 ASP CB C 2 41.351 41.351 40.694 0.657 19604 11785 1 18 . 1 1 3 3 GLN N N 3 120.300 120.300 118.102 2.198 19604 11786 1 18 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.536 -0.163 19604 11787 1 18 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.017 0.481 19604 11788 1 18 . 1 1 3 3 GLN CB C 3 29.778 29.778 31.065 -1.287 19604 11789 1 18 . 1 1 3 3 GLN H H 3 8.388 8.388 7.872 0.516 19604 11790 1 18 . 1 1 4 4 LEU N N 4 123.525 123.525 125.495 -1.970 19604 11791 1 18 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.759 -0.072 19604 11792 1 18 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.428 -0.069 19604 11793 1 18 . 1 1 4 4 LEU CB C 4 43.653 43.653 42.599 1.054 19604 11794 1 18 . 1 1 4 4 LEU H H 4 8.299 8.299 8.454 -0.155 19604 11795 1 18 . 1 1 5 5 THR N N 5 113.299 113.299 115.349 -2.050 19604 11796 1 18 . 1 1 5 5 THR HA H 5 4.476 4.476 4.511 -0.035 19604 11797 1 18 . 1 1 5 5 THR CA C 5 60.463 60.463 60.572 -0.109 19604 11798 1 18 . 1 1 5 5 THR CB C 5 71.250 71.250 70.903 0.347 19604 11799 1 18 . 1 1 5 5 THR H H 5 8.651 8.651 8.383 0.268 19604 11800 1 18 . 1 1 6 6 GLU N N 6 120.620 120.620 122.044 -1.424 19604 11801 1 18 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.957 0.018 19604 11802 1 18 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.551 -0.616 19604 11803 1 18 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.405 -0.206 19604 11804 1 18 . 1 1 6 6 GLU H H 6 9.014 9.014 8.936 0.078 19604 11805 1 18 . 1 1 7 7 GLU N N 7 119.586 119.586 117.496 2.090 19604 11806 1 18 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.064 0.004 19604 11807 1 18 . 1 1 7 7 GLU CA C 7 59.943 59.943 58.855 1.088 19604 11808 1 18 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.250 -0.172 19604 11809 1 18 . 1 1 7 7 GLU H H 7 8.713 8.713 8.709 0.004 19604 11810 1 18 . 1 1 8 8 GLN N N 8 120.413 120.413 118.839 1.574 19604 11811 1 18 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.119 -0.294 19604 11812 1 18 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.767 0.009 19604 11813 1 18 . 1 1 8 8 GLN CB C 8 29.460 29.460 29.139 0.321 19604 11814 1 18 . 1 1 8 8 GLN H H 8 7.719 7.719 7.673 0.046 19604 11815 1 18 . 1 1 9 9 ILE N N 9 119.362 119.362 120.780 -1.418 19604 11816 1 18 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.949 -0.281 19604 11817 1 18 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.425 0.810 19604 11818 1 18 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.949 -0.128 19604 11819 1 18 . 1 1 9 9 ILE H H 9 8.267 8.267 8.138 0.129 19604 11820 1 18 . 1 1 10 10 ALA N N 10 121.321 121.321 120.778 0.543 19604 11821 1 18 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.987 0.131 19604 11822 1 18 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.373 0.024 19604 11823 1 18 . 1 1 10 10 ALA CB C 10 17.796 17.796 18.093 -0.298 19604 11824 1 18 . 1 1 10 10 ALA H H 10 8.023 8.023 8.386 -0.363 19604 11825 1 18 . 1 1 11 11 GLU N N 11 119.865 119.865 118.677 1.188 19604 11826 1 18 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.108 0.033 19604 11827 1 18 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.392 1.019 19604 11828 1 18 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.088 0.120 19604 11829 1 18 . 1 1 11 11 GLU H H 11 7.761 7.761 7.920 -0.159 19604 11830 1 18 . 1 1 12 12 PHE N N 12 119.971 119.971 118.941 1.030 19604 11831 1 18 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.411 0.612 19604 11832 1 18 . 1 1 12 12 PHE CA C 12 58.712 58.712 61.176 -2.464 19604 11833 1 18 . 1 1 12 12 PHE CB C 12 37.517 37.517 39.220 -1.703 19604 11834 1 18 . 1 1 12 12 PHE H H 12 8.479 8.479 7.627 0.852 19604 11835 1 18 . 1 1 13 13 LYS N N 13 123.604 123.604 118.808 4.796 19604 11836 1 18 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.141 -0.167 19604 11837 1 18 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.076 -0.120 19604 11838 1 18 . 1 1 13 13 LYS CB C 13 31.778 31.778 31.957 -0.179 19604 11839 1 18 . 1 1 13 13 LYS H H 13 9.222 9.222 8.849 0.373 19604 11840 1 18 . 1 1 14 14 GLU N N 14 120.976 120.976 119.857 1.119 19604 11841 1 18 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.126 -0.013 19604 11842 1 18 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.006 0.556 19604 11843 1 18 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.268 0.147 19604 11844 1 18 . 1 1 14 14 GLU H H 14 7.924 7.924 7.926 -0.002 19604 11845 1 18 . 1 1 15 15 ALA N N 15 122.303 122.303 121.905 0.398 19604 11846 1 18 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.157 0.167 19604 11847 1 18 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.753 0.385 19604 11848 1 18 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.254 -0.252 19604 11849 1 18 . 1 1 15 15 ALA H H 15 7.990 7.990 7.609 0.381 19604 11850 1 18 . 1 1 16 16 PHE N N 16 119.011 119.011 119.225 -0.214 19604 11851 1 18 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.534 -0.264 19604 11852 1 18 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.993 0.995 19604 11853 1 18 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.154 0.752 19604 11854 1 18 . 1 1 16 16 PHE H H 16 8.666 8.666 7.811 0.855 19604 11855 1 18 . 1 1 17 17 SER N N 17 113.988 113.988 113.699 0.289 19604 11856 1 18 . 1 1 17 17 SER HA H 17 4.086 4.086 4.068 0.018 19604 11857 1 18 . 1 1 17 17 SER CA C 17 61.532 61.532 61.242 0.290 19604 11858 1 18 . 1 1 17 17 SER CB C 17 62.921 62.921 63.283 -0.362 19604 11859 1 18 . 1 1 17 17 SER H H 17 8.202 8.202 7.856 0.346 19604 11860 1 18 . 1 1 18 18 LEU N N 18 120.913 120.913 119.891 1.022 19604 11861 1 18 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.019 -0.069 19604 11862 1 18 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.068 0.419 19604 11863 1 18 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.892 -0.368 19604 11864 1 18 . 1 1 18 18 LEU H H 18 7.280 7.280 7.228 0.052 19604 11865 1 18 . 1 1 19 19 PHE N N 19 113.613 113.613 114.337 -0.724 19604 11866 1 18 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.258 -0.226 19604 11867 1 18 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.614 -0.208 19604 11868 1 18 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.490 2.067 19604 11869 1 18 . 1 1 19 19 PHE H H 19 7.070 7.070 7.276 -0.206 19604 11870 1 18 . 1 1 20 20 ASP N N 20 117.393 117.393 118.988 -1.595 19604 11871 1 18 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.475 0.118 19604 11872 1 18 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.711 -1.242 19604 11873 1 18 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.072 -0.776 19604 11874 1 18 . 1 1 20 20 ASP H H 20 7.790 7.790 7.533 0.257 19604 11875 1 18 . 1 1 21 21 LYS N N 21 124.292 124.292 124.660 -0.368 19604 11876 1 18 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.026 -0.047 19604 11877 1 18 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.579 -0.259 19604 11878 1 18 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.616 0.057 19604 11879 1 18 . 1 1 21 21 LYS H H 21 7.707 7.707 8.144 -0.437 19604 11880 1 18 . 1 1 22 22 ASP N N 22 114.139 114.139 115.407 -1.268 19604 11881 1 18 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.582 -0.002 19604 11882 1 18 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.442 -0.651 19604 11883 1 18 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.319 -0.754 19604 11884 1 18 . 1 1 22 22 ASP H H 22 8.025 8.025 8.133 -0.108 19604 11885 1 18 . 1 1 23 23 GLY N N 23 109.378 109.378 109.007 0.371 19604 11886 1 18 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.330 0.886 19604 11887 1 18 . 1 1 23 23 GLY H H 23 7.661 7.661 7.714 -0.053 19604 11888 1 18 . 1 1 24 24 ASP N N 24 121.022 121.022 120.107 0.915 19604 11889 1 18 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.515 0.000 19604 11890 1 18 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.565 0.113 19604 11891 1 18 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.629 -1.125 19604 11892 1 18 . 1 1 24 24 ASP H H 24 8.466 8.466 8.343 0.123 19604 11893 1 18 . 1 1 25 25 GLY N N 25 112.810 112.810 109.523 3.287 19604 11894 1 18 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.336 0.011 19604 11895 1 18 . 1 1 25 25 GLY H H 25 10.507 10.507 9.232 1.275 19604 11896 1 18 . 1 1 26 26 THR N N 26 112.094 112.094 111.767 0.327 19604 11897 1 18 . 1 1 26 26 THR HA H 26 5.431 5.431 5.649 -0.218 19604 11898 1 18 . 1 1 26 26 THR CA C 26 59.576 59.576 60.691 -1.115 19604 11899 1 18 . 1 1 26 26 THR CB C 26 72.730 72.730 72.450 0.280 19604 11900 1 18 . 1 1 26 26 THR H H 26 8.191 8.191 8.552 -0.361 19604 11901 1 18 . 1 1 27 27 ILE N N 27 126.447 126.447 125.364 1.083 19604 11902 1 18 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.779 -0.012 19604 11903 1 18 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.276 0.854 19604 11904 1 18 . 1 1 27 27 ILE CB C 27 39.988 39.988 39.220 0.768 19604 11905 1 18 . 1 1 27 27 ILE H H 27 9.845 9.845 8.875 0.970 19604 11906 1 18 . 1 1 28 28 THR N N 28 116.315 116.315 116.985 -0.670 19604 11907 1 18 . 1 1 28 28 THR HA H 28 4.894 4.894 5.017 -0.123 19604 11908 1 18 . 1 1 28 28 THR CA C 28 59.217 59.217 59.436 -0.219 19604 11909 1 18 . 1 1 28 28 THR CB C 28 72.480 72.480 72.049 0.432 19604 11910 1 18 . 1 1 28 28 THR H H 28 8.322 8.322 8.867 -0.545 19604 11911 1 18 . 1 1 29 29 THR N N 29 112.270 112.270 112.389 -0.119 19604 11912 1 18 . 1 1 29 29 THR HA H 29 3.790 3.790 4.014 -0.224 19604 11913 1 18 . 1 1 29 29 THR CA C 29 66.207 66.207 66.167 0.040 19604 11914 1 18 . 1 1 29 29 THR CB C 29 67.737 67.737 68.682 -0.945 19604 11915 1 18 . 1 1 29 29 THR H H 29 9.251 9.251 8.852 0.399 19604 11916 1 18 . 1 1 30 30 LYS N N 30 121.127 121.127 121.733 -0.606 19604 11917 1 18 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.157 -0.039 19604 11918 1 18 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.491 -0.234 19604 11919 1 18 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.227 0.306 19604 11920 1 18 . 1 1 30 30 LYS H H 30 7.569 7.569 7.680 -0.111 19604 11921 1 18 . 1 1 31 31 GLU N N 31 121.876 121.876 120.906 0.970 19604 11922 1 18 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.038 -0.022 19604 11923 1 18 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.537 -0.080 19604 11924 1 18 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.624 -0.073 19604 11925 1 18 . 1 1 31 31 GLU H H 31 7.715 7.715 7.762 -0.047 19604 11926 1 18 . 1 1 32 32 LEU N N 32 120.674 120.674 120.891 -0.217 19604 11927 1 18 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.265 -0.071 19604 11928 1 18 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.319 0.868 19604 11929 1 18 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.122 0.034 19604 11930 1 18 . 1 1 32 32 LEU H H 32 8.592 8.592 8.486 0.106 19604 11931 1 18 . 1 1 33 33 GLY N N 33 106.859 106.859 105.334 1.525 19604 11932 1 18 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.488 0.739 19604 11933 1 18 . 1 1 33 33 GLY H H 33 8.861 8.861 8.073 0.788 19604 11934 1 18 . 1 1 34 34 THR N N 34 118.512 118.512 118.380 0.132 19604 11935 1 18 . 1 1 34 34 THR HA H 34 3.935 3.935 3.949 -0.014 19604 11936 1 18 . 1 1 34 34 THR CA C 34 66.964 66.964 67.093 -0.129 19604 11937 1 18 . 1 1 34 34 THR CB C 34 68.610 68.610 68.485 0.125 19604 11938 1 18 . 1 1 34 34 THR H H 34 7.965 7.965 7.673 0.292 19604 11939 1 18 . 1 1 35 35 VAL N N 35 122.456 122.456 121.649 0.807 19604 11940 1 18 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.470 0.101 19604 11941 1 18 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.417 0.142 19604 11942 1 18 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.528 0.003 19604 11943 1 18 . 1 1 35 35 VAL H H 35 7.532 7.532 7.515 0.017 19604 11944 1 18 . 1 1 36 36 MET N N 36 118.015 118.015 116.090 1.925 19604 11945 1 18 . 1 1 36 36 MET HA H 36 3.899 3.899 4.072 -0.173 19604 11946 1 18 . 1 1 36 36 MET CA C 36 60.156 60.156 59.051 1.105 19604 11947 1 18 . 1 1 36 36 MET CB C 36 31.731 31.731 31.851 -0.120 19604 11948 1 18 . 1 1 36 36 MET H H 36 8.525 8.525 7.907 0.618 19604 11949 1 18 . 1 1 37 37 ARG N N 37 119.604 119.604 119.825 -0.221 19604 11950 1 18 . 1 1 37 37 ARG HA H 37 4.781 4.781 3.974 0.807 19604 11951 1 18 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.800 -0.543 19604 11952 1 18 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.938 -0.325 19604 11953 1 18 . 1 1 37 37 ARG H H 37 8.579 8.579 7.910 0.669 19604 11954 1 18 . 1 1 38 38 SER N N 38 119.543 119.543 113.674 5.869 19604 11955 1 18 . 1 1 38 38 SER HA H 38 4.396 4.396 4.279 0.117 19604 11956 1 18 . 1 1 38 38 SER CA C 38 61.758 61.758 60.789 0.969 19604 11957 1 18 . 1 1 38 38 SER CB C 38 62.691 62.691 62.890 -0.199 19604 11958 1 18 . 1 1 38 38 SER H H 38 7.939 7.939 7.673 0.266 19604 11959 1 18 . 1 1 39 39 LEU N N 39 120.454 120.454 120.006 0.448 19604 11960 1 18 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.343 0.098 19604 11961 1 18 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.653 -1.036 19604 11962 1 18 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.602 -0.472 19604 11963 1 18 . 1 1 39 39 LEU H H 39 7.394 7.394 7.577 -0.183 19604 11964 1 18 . 1 1 40 40 GLY N N 40 107.378 107.378 105.977 1.401 19604 11965 1 18 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.570 1.045 19604 11966 1 18 . 1 1 40 40 GLY H H 40 7.897 7.897 7.943 -0.046 19604 11967 1 18 . 1 1 41 41 GLN N N 41 118.330 118.330 120.192 -1.862 19604 11968 1 18 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.469 0.032 19604 11969 1 18 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.572 -0.253 19604 11970 1 18 . 1 1 41 41 GLN CB C 41 30.494 30.494 30.372 0.122 19604 11971 1 18 . 1 1 41 41 GLN H H 41 7.883 7.883 8.285 -0.402 19604 11972 1 18 . 1 1 42 42 ASN N N 42 116.488 116.488 122.739 -6.251 19604 11973 1 18 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.029 0.183 19604 11974 1 18 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.837 1.290 19604 11975 1 18 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.910 0.261 19604 11976 1 18 . 1 1 42 42 ASN H H 42 8.697 8.697 8.482 0.215 19604 11977 1 18 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.646 0.138 19604 11978 1 18 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.762 -0.440 19604 11979 1 18 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.657 -0.379 19604 11980 1 18 . 1 1 44 44 THR N N 44 112.452 112.452 112.632 -0.180 19604 11981 1 18 . 1 1 44 44 THR HA H 44 4.461 4.461 4.423 0.038 19604 11982 1 18 . 1 1 44 44 THR CA C 44 60.411 60.411 60.168 0.243 19604 11983 1 18 . 1 1 44 44 THR CB C 44 71.068 71.068 70.556 0.512 19604 11984 1 18 . 1 1 44 44 THR H H 44 8.678 8.678 8.195 0.483 19604 11985 1 18 . 1 1 45 45 GLU N N 45 120.954 120.954 123.254 -2.300 19604 11986 1 18 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.908 0.102 19604 11987 1 18 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.312 -0.429 19604 11988 1 18 . 1 1 45 45 GLU H H 45 8.803 8.803 9.048 -0.245 19604 11989 1 18 . 1 1 46 46 ALA N N 46 120.643 120.643 121.155 -0.512 19604 11990 1 18 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.228 -0.111 19604 11991 1 18 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.639 0.374 19604 11992 1 18 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.226 -0.053 19604 11993 1 18 . 1 1 46 46 ALA H H 46 8.272 8.272 8.273 -0.001 19604 11994 1 18 . 1 1 47 47 GLU N N 47 119.059 119.059 120.047 -0.988 19604 11995 1 18 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.072 -0.037 19604 11996 1 18 . 1 1 47 47 GLU CA C 47 59.163 59.163 58.938 0.225 19604 11997 1 18 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.742 0.184 19604 11998 1 18 . 1 1 47 47 GLU H H 47 7.686 7.686 7.477 0.209 19604 11999 1 18 . 1 1 48 48 LEU N N 48 119.848 119.848 119.695 0.153 19604 12000 1 18 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.906 0.119 19604 12001 1 18 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.046 -0.205 19604 12002 1 18 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.827 0.604 19604 12003 1 18 . 1 1 48 48 LEU H H 48 8.036 8.036 8.517 -0.481 19604 12004 1 18 . 1 1 49 49 GLN N N 49 118.226 118.226 118.071 0.155 19604 12005 1 18 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.941 -0.138 19604 12006 1 18 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.726 -0.165 19604 12007 1 18 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.948 0.294 19604 12008 1 18 . 1 1 49 49 GLN H H 49 8.323 8.323 7.858 0.465 19604 12009 1 18 . 1 1 50 50 ASP N N 50 119.928 119.928 118.684 1.244 19604 12010 1 18 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.416 -0.018 19604 12011 1 18 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.946 0.663 19604 12012 1 18 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.645 -0.012 19604 12013 1 18 . 1 1 50 50 ASP H H 50 8.147 8.147 7.822 0.325 19604 12014 1 18 . 1 1 51 51 MET N N 51 117.796 117.796 118.703 -0.907 19604 12015 1 18 . 1 1 51 51 MET HA H 51 4.050 4.050 4.078 -0.028 19604 12016 1 18 . 1 1 51 51 MET CA C 51 59.555 59.555 59.244 0.311 19604 12017 1 18 . 1 1 51 51 MET CB C 51 32.846 32.846 32.577 0.269 19604 12018 1 18 . 1 1 51 51 MET H H 51 7.814 7.814 7.237 0.577 19604 12019 1 18 . 1 1 52 52 ILE N N 52 118.474 118.474 119.552 -1.078 19604 12020 1 18 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.587 0.012 19604 12021 1 18 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.795 -0.689 19604 12022 1 18 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.377 -0.318 19604 12023 1 18 . 1 1 52 52 ILE H H 52 7.685 7.685 8.056 -0.371 19604 12024 1 18 . 1 1 53 53 ASN N N 53 118.591 118.591 118.198 0.393 19604 12025 1 18 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.487 -0.070 19604 12026 1 18 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.833 0.072 19604 12027 1 18 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.817 0.174 19604 12028 1 18 . 1 1 53 53 ASN H H 53 8.786 8.786 8.195 0.591 19604 12029 1 18 . 1 1 54 54 GLU N N 54 115.327 115.327 117.851 -2.524 19604 12030 1 18 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.156 -0.108 19604 12031 1 18 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.416 0.661 19604 12032 1 18 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.584 1.341 19604 12033 1 18 . 1 1 54 54 GLU H H 54 7.368 7.368 7.758 -0.390 19604 12034 1 18 . 1 1 55 55 VAL N N 55 111.285 111.285 108.904 2.381 19604 12035 1 18 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.199 0.028 19604 12036 1 18 . 1 1 55 55 VAL CA C 55 60.832 60.832 60.723 0.109 19604 12037 1 18 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.923 1.393 19604 12038 1 18 . 1 1 55 55 VAL H H 55 7.133 7.133 7.216 -0.083 19604 12039 1 18 . 1 1 56 56 ASP N N 56 121.291 121.291 121.536 -0.245 19604 12040 1 18 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.676 -0.208 19604 12041 1 18 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.369 0.331 19604 12042 1 18 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.296 0.287 19604 12043 1 18 . 1 1 56 56 ASP H H 56 7.567 7.567 7.481 0.086 19604 12044 1 18 . 1 1 57 57 ALA N N 57 131.432 131.432 130.084 1.348 19604 12045 1 18 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.174 0.055 19604 12046 1 18 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.810 0.545 19604 12047 1 18 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.924 -0.229 19604 12048 1 18 . 1 1 57 57 ALA H H 57 8.064 8.064 8.304 -0.240 19604 12049 1 18 . 1 1 58 58 ASP N N 58 114.063 114.063 116.566 -2.503 19604 12050 1 18 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.581 0.056 19604 12051 1 18 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.575 -0.807 19604 12052 1 18 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.754 -0.906 19604 12053 1 18 . 1 1 58 58 ASP H H 58 8.211 8.211 8.071 0.140 19604 12054 1 18 . 1 1 59 59 GLY N N 59 108.646 108.646 109.306 -0.660 19604 12055 1 18 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.862 1.338 19604 12056 1 18 . 1 1 59 59 GLY H H 59 7.584 7.584 7.911 -0.327 19604 12057 1 18 . 1 1 60 60 ASN N N 60 118.886 118.886 118.723 0.163 19604 12058 1 18 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.768 -0.148 19604 12059 1 18 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.339 0.338 19604 12060 1 18 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.654 -2.075 19604 12061 1 18 . 1 1 60 60 ASN H H 60 8.162 8.162 8.758 -0.596 19604 12062 1 18 . 1 1 61 61 GLY N N 61 113.458 113.458 109.755 3.703 19604 12063 1 18 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.476 0.163 19604 12064 1 18 . 1 1 61 61 GLY H H 61 10.568 10.568 9.114 1.454 19604 12065 1 18 . 1 1 62 62 THR N N 62 108.490 108.490 110.216 -1.726 19604 12066 1 18 . 1 1 62 62 THR HA H 62 4.800 4.800 5.190 -0.390 19604 12067 1 18 . 1 1 62 62 THR CA C 62 59.327 59.327 60.004 -0.677 19604 12068 1 18 . 1 1 62 62 THR CB C 62 72.409 72.409 72.725 -0.316 19604 12069 1 18 . 1 1 62 62 THR H H 62 7.643 7.643 8.305 -0.662 19604 12070 1 18 . 1 1 63 63 ILE N N 63 123.350 123.350 122.763 0.587 19604 12071 1 18 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.783 0.431 19604 12072 1 18 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.782 -1.731 19604 12073 1 18 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.862 0.743 19604 12074 1 18 . 1 1 63 63 ILE H H 63 8.544 8.544 8.457 0.087 19604 12075 1 18 . 1 1 64 64 ASP N N 64 128.480 128.480 127.769 0.711 19604 12076 1 18 . 1 1 64 64 ASP HA H 64 5.507 5.507 4.912 0.595 19604 12077 1 18 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.552 -1.567 19604 12078 1 18 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.782 -0.579 19604 12079 1 18 . 1 1 64 64 ASP H H 64 8.902 8.902 8.272 0.630 19604 12080 1 18 . 1 1 65 65 PHE N N 65 118.622 118.622 120.123 -1.501 19604 12081 1 18 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.534 0.445 19604 12082 1 18 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.270 1.815 19604 12083 1 18 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.586 -0.683 19604 12084 1 18 . 1 1 65 65 PHE H H 65 8.967 8.967 8.790 0.177 19604 12085 1 18 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.644 0.244 19604 12086 1 18 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.814 2.036 19604 12087 1 18 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.727 0.073 19604 12088 1 18 . 1 1 67 67 GLU N N 67 118.243 118.243 119.406 -1.163 19604 12089 1 18 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.932 0.033 19604 12090 1 18 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.636 -0.591 19604 12091 1 18 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.966 0.908 19604 12092 1 18 . 1 1 67 67 GLU H H 67 8.420 8.420 8.059 0.361 19604 12093 1 18 . 1 1 68 68 PHE N N 68 124.020 124.020 119.634 4.386 19604 12094 1 18 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.273 -0.488 19604 12095 1 18 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.938 0.549 19604 12096 1 18 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.567 1.215 19604 12097 1 18 . 1 1 68 68 PHE H H 68 8.638 8.638 7.585 1.053 19604 12098 1 18 . 1 1 69 69 LEU N N 69 120.062 120.062 120.931 -0.869 19604 12099 1 18 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.840 -0.472 19604 12100 1 18 . 1 1 69 69 LEU CA C 69 57.854 57.854 58.114 -0.260 19604 12101 1 18 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.136 0.249 19604 12102 1 18 . 1 1 69 69 LEU H H 69 8.972 8.972 7.400 1.572 19604 12103 1 18 . 1 1 70 70 THR N N 70 115.488 115.488 114.381 1.107 19604 12104 1 18 . 1 1 70 70 THR HA H 70 3.697 3.697 3.781 -0.084 19604 12105 1 18 . 1 1 70 70 THR CA C 70 66.558 66.558 66.195 0.363 19604 12106 1 18 . 1 1 70 70 THR CB C 70 68.396 68.396 68.490 -0.094 19604 12107 1 18 . 1 1 70 70 THR H H 70 7.855 7.855 8.300 -0.446 19604 12108 1 18 . 1 1 71 71 MET N N 71 119.627 119.627 121.001 -1.374 19604 12109 1 18 . 1 1 71 71 MET HA H 71 3.757 3.757 4.034 -0.277 19604 12110 1 18 . 1 1 71 71 MET CA C 71 58.334 58.334 58.618 -0.284 19604 12111 1 18 . 1 1 71 71 MET CB C 71 30.736 30.736 32.002 -1.266 19604 12112 1 18 . 1 1 71 71 MET H H 71 7.155 7.155 7.405 -0.250 19604 12113 1 18 . 1 1 72 72 MET N N 72 116.046 116.046 115.669 0.377 19604 12114 1 18 . 1 1 72 72 MET HA H 72 3.977 3.977 4.308 -0.331 19604 12115 1 18 . 1 1 72 72 MET CA C 72 55.138 55.138 58.085 -2.947 19604 12116 1 18 . 1 1 72 72 MET CB C 72 29.103 29.103 33.115 -4.012 19604 12117 1 18 . 1 1 72 72 MET H H 72 7.646 7.646 7.431 0.215 19604 12118 1 18 . 1 1 73 73 ALA N N 73 120.685 120.685 122.137 -1.452 19604 12119 1 18 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.050 0.132 19604 12120 1 18 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.654 -1.554 19604 12121 1 18 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.950 1.342 19604 12122 1 18 . 1 1 73 73 ALA H H 73 8.080 8.080 8.127 -0.047 19604 12123 1 18 . 1 1 74 74 ARG N N 74 118.501 118.501 118.845 -0.344 19604 12124 1 18 . 1 1 74 74 ARG HA H 74 4.188 4.188 4.002 0.186 19604 12125 1 18 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.687 -1.710 19604 12126 1 18 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.069 0.448 19604 12127 1 18 . 1 1 74 74 ARG H H 74 7.367 7.367 8.171 -0.804 19604 12128 1 18 . 1 1 76 76 MET HA H 76 4.413 4.413 4.197 0.216 19604 12129 1 18 . 1 1 76 76 MET CA C 76 55.804 55.804 57.734 -1.930 19604 12130 1 18 . 1 1 76 76 MET CB C 76 33.291 33.291 33.214 0.077 19604 12131 1 18 . 1 1 77 77 LYS N N 77 121.563 121.563 118.485 3.078 19604 12132 1 18 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.455 -0.134 19604 12133 1 18 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.992 0.426 19604 12134 1 18 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.493 -1.242 19604 12135 1 18 . 1 1 77 77 LYS H H 77 8.253 8.253 7.909 0.344 19604 12136 1 18 . 1 1 78 78 ASP N N 78 121.953 121.953 121.051 0.902 19604 12137 1 18 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.818 -0.200 19604 12138 1 18 . 1 1 78 78 ASP CA C 78 54.855 54.855 53.308 1.547 19604 12139 1 18 . 1 1 78 78 ASP CB C 78 41.116 41.116 43.307 -2.191 19604 12140 1 18 . 1 1 78 78 ASP H H 78 8.362 8.362 8.352 0.010 19604 12141 1 18 . 1 1 79 79 THR N N 79 113.276 113.276 113.379 -0.103 19604 12142 1 18 . 1 1 79 79 THR HA H 79 4.305 4.305 4.265 0.040 19604 12143 1 18 . 1 1 79 79 THR CA C 79 62.124 62.124 62.696 -0.572 19604 12144 1 18 . 1 1 79 79 THR CB C 79 69.634 69.634 69.569 0.065 19604 12145 1 18 . 1 1 79 79 THR H H 79 8.014 8.014 8.073 -0.059 19604 12146 1 18 . 1 1 80 80 ASP N N 80 122.850 122.850 121.929 0.921 19604 12147 1 18 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.582 0.093 19604 12148 1 18 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.701 -0.046 19604 12149 1 18 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.475 0.949 19604 12150 1 18 . 1 1 80 80 ASP H H 80 8.316 8.316 8.612 -0.296 19604 12151 1 18 . 1 1 81 81 SER N N 81 116.864 116.864 117.103 -0.239 19604 12152 1 18 . 1 1 81 81 SER HA H 81 4.429 4.429 4.158 0.271 19604 12153 1 18 . 1 1 81 81 SER CA C 81 59.337 59.337 61.626 -2.289 19604 12154 1 18 . 1 1 81 81 SER CB C 81 63.672 63.672 63.175 0.497 19604 12155 1 18 . 1 1 81 81 SER H H 81 8.391 8.391 8.305 0.086 19604 12156 1 18 . 1 1 82 82 GLU N N 82 122.561 122.561 121.894 0.667 19604 12157 1 18 . 1 1 82 82 GLU HA H 82 4.073 4.073 3.955 0.118 19604 12158 1 18 . 1 1 82 82 GLU CA C 82 59.179 59.179 60.138 -0.959 19604 12159 1 18 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.032 0.480 19604 12160 1 18 . 1 1 82 82 GLU H H 82 8.479 8.479 8.909 -0.430 19604 12161 1 18 . 1 1 83 83 GLU N N 83 119.348 119.348 119.061 0.287 19604 12162 1 18 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.016 0.028 19604 12163 1 18 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.427 0.220 19604 12164 1 18 . 1 1 83 83 GLU CB C 83 29.531 29.531 28.859 0.672 19604 12165 1 18 . 1 1 83 83 GLU H H 83 8.279 8.279 8.595 -0.316 19604 12166 1 18 . 1 1 84 84 GLU N N 84 118.810 118.810 120.519 -1.709 19604 12167 1 18 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.220 -0.107 19604 12168 1 18 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.215 0.262 19604 12169 1 18 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.576 0.093 19604 12170 1 18 . 1 1 84 84 GLU H H 84 8.062 8.062 8.194 -0.132 19604 12171 1 18 . 1 1 85 85 ILE N N 85 122.019 122.019 118.810 3.209 19604 12172 1 18 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.151 -0.233 19604 12173 1 18 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.193 0.134 19604 12174 1 18 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.078 -0.650 19604 12175 1 18 . 1 1 85 85 ILE H H 85 8.008 8.008 7.826 0.182 19604 12176 1 18 . 1 1 86 86 ARG N N 86 121.851 121.851 120.847 1.004 19604 12177 1 18 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.129 0.037 19604 12178 1 18 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.499 0.527 19604 12179 1 18 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.042 -0.075 19604 12180 1 18 . 1 1 86 86 ARG H H 86 8.446 8.446 7.873 0.573 19604 12181 1 18 . 1 1 87 87 GLU N N 87 118.621 118.621 119.469 -0.848 19604 12182 1 18 . 1 1 87 87 GLU HA H 87 4.110 4.110 3.985 0.125 19604 12183 1 18 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.253 -0.146 19604 12184 1 18 . 1 1 87 87 GLU CB C 87 29.426 29.426 28.681 0.745 19604 12185 1 18 . 1 1 87 87 GLU H H 87 8.149 8.149 8.710 -0.561 19604 12186 1 18 . 1 1 88 88 ALA N N 88 121.741 121.741 121.945 -0.204 19604 12187 1 18 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.683 0.342 19604 12188 1 18 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.470 0.516 19604 12189 1 18 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.055 -0.331 19604 12190 1 18 . 1 1 88 88 ALA H H 88 7.880 7.880 7.707 0.173 19604 12191 1 18 . 1 1 89 89 PHE N N 89 118.057 118.057 119.362 -1.305 19604 12192 1 18 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.857 -0.708 19604 12193 1 18 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.837 0.529 19604 12194 1 18 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.107 0.230 19604 12195 1 18 . 1 1 89 89 PHE H H 89 8.463 8.463 7.720 0.743 19604 12196 1 18 . 1 1 90 90 ARG N N 90 115.723 115.723 118.806 -3.083 19604 12197 1 18 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.054 -0.162 19604 12198 1 18 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.845 0.043 19604 12199 1 18 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.694 0.712 19604 12200 1 18 . 1 1 90 90 ARG H H 90 7.775 7.775 7.506 0.269 19604 12201 1 18 . 1 1 91 91 VAL N N 91 118.161 118.161 117.193 0.968 19604 12202 1 18 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.700 -0.176 19604 12203 1 18 . 1 1 91 91 VAL CA C 91 65.596 65.596 64.858 0.738 19604 12204 1 18 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.283 0.261 19604 12205 1 18 . 1 1 91 91 VAL H H 91 7.484 7.484 7.605 -0.121 19604 12206 1 18 . 1 1 92 92 PHE N N 92 117.398 117.398 114.697 2.701 19604 12207 1 18 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.463 -0.185 19604 12208 1 18 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.219 1.462 19604 12209 1 18 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.905 0.949 19604 12210 1 18 . 1 1 92 92 PHE H H 92 7.544 7.544 7.045 0.499 19604 12211 1 18 . 1 1 93 93 ASP N N 93 117.503 117.503 119.797 -2.294 19604 12212 1 18 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.763 -0.222 19604 12213 1 18 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.423 -2.241 19604 12214 1 18 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.847 -1.420 19604 12215 1 18 . 1 1 93 93 ASP H H 93 7.963 7.963 7.794 0.169 19604 12216 1 18 . 1 1 94 94 LYS N N 94 125.976 125.976 124.982 0.994 19604 12217 1 18 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.111 -0.205 19604 12218 1 18 . 1 1 94 94 LYS CA C 94 59.062 59.062 58.390 0.672 19604 12219 1 18 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.884 0.149 19604 12220 1 18 . 1 1 94 94 LYS H H 94 7.585 7.585 8.564 -0.979 19604 12221 1 18 . 1 1 95 95 ASP N N 95 114.100 114.100 115.320 -1.220 19604 12222 1 18 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.514 0.040 19604 12223 1 18 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.697 -0.631 19604 12224 1 18 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.418 -0.669 19604 12225 1 18 . 1 1 95 95 ASP H H 95 8.186 8.186 8.321 -0.135 19604 12226 1 18 . 1 1 96 96 GLY N N 96 109.383 109.383 108.464 0.919 19604 12227 1 18 . 1 1 96 96 GLY CA C 96 47.148 47.148 45.993 1.155 19604 12228 1 18 . 1 1 96 96 GLY H H 96 7.809 7.809 7.700 0.109 19604 12229 1 18 . 1 1 97 97 ASN N N 97 119.744 119.744 118.012 1.732 19604 12230 1 18 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.641 0.005 19604 12231 1 18 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.901 -0.247 19604 12232 1 18 . 1 1 97 97 ASN CB C 97 38.189 38.189 39.420 -1.231 19604 12233 1 18 . 1 1 97 97 ASN H H 97 8.336 8.336 8.596 -0.260 19604 12234 1 18 . 1 1 98 98 GLY N N 98 112.937 112.937 107.765 5.172 19604 12235 1 18 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.593 -0.560 19604 12236 1 18 . 1 1 98 98 GLY H H 98 10.653 10.653 8.780 1.873 19604 12237 1 18 . 1 1 99 99 TYR N N 99 115.956 115.956 118.110 -2.154 19604 12238 1 18 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.992 0.069 19604 12239 1 18 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.757 -1.568 19604 12240 1 18 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.673 0.370 19604 12241 1 18 . 1 1 99 99 TYR H H 99 7.630 7.630 8.520 -0.890 19604 12242 1 18 . 1 1 100 100 ILE N N 100 127.360 127.360 124.657 2.703 19604 12243 1 18 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.442 0.342 19604 12244 1 18 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.393 0.626 19604 12245 1 18 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.568 -0.583 19604 12246 1 18 . 1 1 100 100 ILE H H 100 10.174 10.174 8.930 1.244 19604 12247 1 18 . 1 1 101 101 SER N N 101 124.117 124.117 123.477 0.640 19604 12248 1 18 . 1 1 101 101 SER HA H 101 4.885 4.885 4.841 0.044 19604 12249 1 18 . 1 1 101 101 SER CA C 101 55.722 55.722 56.135 -0.413 19604 12250 1 18 . 1 1 101 101 SER CB C 101 66.631 66.631 65.827 0.804 19604 12251 1 18 . 1 1 101 101 SER H H 101 8.977 8.977 8.506 0.471 19604 12252 1 18 . 1 1 102 102 ALA N N 102 123.057 123.057 123.226 -0.169 19604 12253 1 18 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.128 -0.204 19604 12254 1 18 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.153 0.801 19604 12255 1 18 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.367 -0.476 19604 12256 1 18 . 1 1 102 102 ALA H H 102 9.261 9.261 8.926 0.335 19604 12257 1 18 . 1 1 103 103 ALA N N 103 118.685 118.685 121.179 -2.494 19604 12258 1 18 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.971 0.053 19604 12259 1 18 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.849 0.370 19604 12260 1 18 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.475 -0.160 19604 12261 1 18 . 1 1 103 103 ALA H H 103 8.271 8.271 7.673 0.598 19604 12262 1 18 . 1 1 104 104 GLU N N 104 119.737 119.737 118.911 0.826 19604 12263 1 18 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.103 -0.066 19604 12264 1 18 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.971 0.279 19604 12265 1 18 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.926 -0.710 19604 12266 1 18 . 1 1 104 104 GLU H H 104 7.857 7.857 7.494 0.363 19604 12267 1 18 . 1 1 105 105 LEU N N 105 122.037 122.037 120.560 1.477 19604 12268 1 18 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.906 0.130 19604 12269 1 18 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.839 0.213 19604 12270 1 18 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.853 0.261 19604 12271 1 18 . 1 1 105 105 LEU H H 105 8.685 8.685 8.419 0.266 19604 12272 1 18 . 1 1 106 106 ARG N N 106 118.484 118.484 118.405 0.079 19604 12273 1 18 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.822 -0.114 19604 12274 1 18 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.822 0.208 19604 12275 1 18 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.852 0.465 19604 12276 1 18 . 1 1 106 106 ARG H H 106 8.682 8.682 7.803 0.879 19604 12277 1 18 . 1 1 107 107 HIS N N 107 118.917 118.917 117.572 1.345 19604 12278 1 18 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.315 -0.019 19604 12279 1 18 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.703 0.139 19604 12280 1 18 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.339 1.237 19604 12281 1 18 . 1 1 107 107 HIS H H 107 7.803 7.803 7.784 0.019 19604 12282 1 18 . 1 1 108 108 VAL N N 108 119.662 119.662 119.507 0.155 19604 12283 1 18 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.581 -0.123 19604 12284 1 18 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.374 0.078 19604 12285 1 18 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.179 0.414 19604 12286 1 18 . 1 1 108 108 VAL H H 108 7.887 7.887 7.207 0.680 19604 12287 1 18 . 1 1 109 109 MET N N 109 115.981 115.981 117.507 -1.526 19604 12288 1 18 . 1 1 109 109 MET HA H 109 4.296 4.296 4.171 0.125 19604 12289 1 18 . 1 1 109 109 MET CA C 109 57.062 57.062 57.520 -0.458 19604 12290 1 18 . 1 1 109 109 MET H H 109 8.128 8.128 7.777 0.351 19604 12291 1 18 . 1 1 110 110 THR N N 110 116.866 116.866 116.419 0.447 19604 12292 1 18 . 1 1 110 110 THR HA H 110 4.080 4.080 4.109 -0.029 19604 12293 1 18 . 1 1 110 110 THR CA C 110 66.402 66.402 66.124 0.278 19604 12294 1 18 . 1 1 110 110 THR CB C 110 68.574 68.574 68.204 0.370 19604 12295 1 18 . 1 1 110 110 THR H H 110 8.302 8.302 8.135 0.167 19604 12296 1 18 . 1 1 111 111 ASN N N 111 122.811 122.811 120.885 1.926 19604 12297 1 18 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.419 0.026 19604 12298 1 18 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.544 0.267 19604 12299 1 18 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.297 -0.322 19604 12300 1 18 . 1 1 111 111 ASN H H 111 7.849 7.849 7.784 0.065 19604 12301 1 18 . 1 1 112 112 LEU N N 112 118.869 118.869 118.693 0.176 19604 12302 1 18 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.264 0.081 19604 12303 1 18 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.807 -0.716 19604 12304 1 18 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.582 -0.502 19604 12305 1 18 . 1 1 112 112 LEU H H 112 7.666 7.666 7.560 0.106 19604 12306 1 18 . 1 1 113 113 GLY N N 113 107.124 107.124 106.358 0.766 19604 12307 1 18 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.579 0.837 19604 12308 1 18 . 1 1 113 113 GLY H H 113 7.818 7.818 7.816 0.002 19604 12309 1 18 . 1 1 114 114 GLU N N 114 120.113 120.113 120.899 -0.786 19604 12310 1 18 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.699 -0.272 19604 12311 1 18 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.407 0.189 19604 12312 1 18 . 1 1 114 114 GLU CB C 114 30.710 30.710 32.765 -2.055 19604 12313 1 18 . 1 1 114 114 GLU H H 114 7.895 7.895 7.735 0.160 19604 12314 1 18 . 1 1 115 115 LYS N N 115 124.920 124.920 122.378 2.542 19604 12315 1 18 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.589 -0.209 19604 12316 1 18 . 1 1 115 115 LYS CA C 115 55.393 55.393 55.724 -0.330 19604 12317 1 18 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.899 -0.854 19604 12318 1 18 . 1 1 115 115 LYS H H 115 8.583 8.583 8.495 0.088 19604 12319 1 18 . 1 1 116 116 LEU N N 116 124.979 124.979 126.512 -1.533 19604 12320 1 18 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.970 -0.203 19604 12321 1 18 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.714 0.367 19604 12322 1 18 . 1 1 116 116 LEU CB C 116 44.532 44.532 43.328 1.204 19604 12323 1 18 . 1 1 116 116 LEU H H 116 8.082 8.082 8.539 -0.457 19604 12324 1 18 . 1 1 117 117 THR N N 117 114.448 114.448 114.955 -0.507 19604 12325 1 18 . 1 1 117 117 THR HA H 117 4.452 4.452 4.300 0.152 19604 12326 1 18 . 1 1 117 117 THR CA C 117 60.690 60.690 60.855 -0.165 19604 12327 1 18 . 1 1 117 117 THR CB C 117 71.051 71.051 70.269 0.782 19604 12328 1 18 . 1 1 117 117 THR H H 117 9.172 9.172 8.356 0.816 19604 12329 1 18 . 1 1 118 118 ASP N N 118 121.175 121.175 120.343 0.832 19604 12330 1 18 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.321 -0.108 19604 12331 1 18 . 1 1 118 118 ASP CA C 118 57.992 57.992 57.862 0.130 19604 12332 1 18 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.483 -0.813 19604 12333 1 18 . 1 1 118 118 ASP H H 118 8.889 8.889 8.812 0.077 19604 12334 1 18 . 1 1 119 119 GLU N N 119 119.386 119.386 119.226 0.160 19604 12335 1 18 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.134 -0.046 19604 12336 1 18 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.787 1.226 19604 12337 1 18 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.620 -0.448 19604 12338 1 18 . 1 1 119 119 GLU H H 119 8.665 8.665 7.905 0.760 19604 12339 1 18 . 1 1 120 120 GLU N N 120 120.564 120.564 120.314 0.250 19604 12340 1 18 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.027 -0.045 19604 12341 1 18 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.469 -0.218 19604 12342 1 18 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.535 1.225 19604 12343 1 18 . 1 1 120 120 GLU H H 120 7.715 7.715 7.450 0.265 19604 12344 1 18 . 1 1 121 121 VAL N N 121 120.955 120.955 119.169 1.786 19604 12345 1 18 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.588 -0.132 19604 12346 1 18 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.771 0.110 19604 12347 1 18 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.616 -0.286 19604 12348 1 18 . 1 1 121 121 VAL H H 121 8.050 8.050 7.971 0.079 19604 12349 1 18 . 1 1 122 122 ASP N N 122 120.016 120.016 120.063 -0.047 19604 12350 1 18 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.236 0.127 19604 12351 1 18 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.538 0.175 19604 12352 1 18 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.475 -0.022 19604 12353 1 18 . 1 1 122 122 ASP H H 122 7.980 7.980 7.587 0.393 19604 12354 1 18 . 1 1 123 123 GLU N N 123 119.913 119.913 119.329 0.584 19604 12355 1 18 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.005 0.040 19604 12356 1 18 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.916 0.389 19604 12357 1 18 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.444 -0.165 19604 12358 1 18 . 1 1 123 123 GLU H H 123 8.033 8.033 7.715 0.318 19604 12359 1 18 . 1 1 124 124 MET N N 124 119.642 119.642 119.515 0.127 19604 12360 1 18 . 1 1 124 124 MET HA H 124 4.175 4.175 4.147 0.028 19604 12361 1 18 . 1 1 124 124 MET CA C 124 60.420 60.420 59.147 1.273 19604 12362 1 18 . 1 1 124 124 MET CB C 124 33.408 33.408 32.794 0.614 19604 12363 1 18 . 1 1 124 124 MET H H 124 7.930 7.930 7.467 0.463 19604 12364 1 18 . 1 1 125 125 ILE N N 125 119.663 119.663 118.906 0.757 19604 12365 1 18 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.680 0.029 19604 12366 1 18 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.219 0.120 19604 12367 1 18 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.561 -0.226 19604 12368 1 18 . 1 1 125 125 ILE H H 125 8.147 8.147 8.037 0.110 19604 12369 1 18 . 1 1 126 126 ARG N N 126 118.998 118.998 118.889 0.109 19604 12370 1 18 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.957 0.115 19604 12371 1 18 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.388 0.440 19604 12372 1 18 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.165 0.166 19604 12373 1 18 . 1 1 126 126 ARG H H 126 8.431 8.431 7.952 0.479 19604 12374 1 18 . 1 1 127 127 GLU N N 127 116.058 116.058 118.475 -2.417 19604 12375 1 18 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.180 -0.196 19604 12376 1 18 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.411 0.394 19604 12377 1 18 . 1 1 127 127 GLU CB C 127 29.806 29.806 30.003 -0.197 19604 12378 1 18 . 1 1 127 127 GLU H H 127 7.899 7.899 7.813 0.086 19604 12379 1 18 . 1 1 128 128 ALA N N 128 117.702 117.702 119.806 -2.104 19604 12380 1 18 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.174 0.279 19604 12381 1 18 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.270 -1.550 19604 12382 1 18 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.329 3.057 19604 12383 1 18 . 1 1 128 128 ALA H H 128 7.222 7.222 7.384 -0.162 19604 12384 1 18 . 1 1 129 129 ASP N N 129 117.996 117.996 119.466 -1.470 19604 12385 1 18 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.718 -0.221 19604 12386 1 18 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.211 0.125 19604 12387 1 18 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.629 1.053 19604 12388 1 18 . 1 1 129 129 ASP H H 129 7.947 7.947 8.001 -0.054 19604 12389 1 18 . 1 1 130 130 ILE N N 130 128.199 128.199 124.042 4.157 19604 12390 1 18 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.880 0.028 19604 12391 1 18 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.498 -0.065 19604 12392 1 18 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.580 0.158 19604 12393 1 18 . 1 1 130 130 ILE H H 130 8.399 8.399 8.002 0.397 19604 12394 1 18 . 1 1 131 131 ASP N N 131 116.628 116.628 117.421 -0.793 19604 12395 1 18 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.519 -0.006 19604 12396 1 18 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.719 0.109 19604 12397 1 18 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.509 -0.520 19604 12398 1 18 . 1 1 131 131 ASP H H 131 8.258 8.258 7.932 0.326 19604 12399 1 18 . 1 1 132 132 GLY N N 132 108.616 108.616 108.580 0.036 19604 12400 1 18 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.028 1.499 19604 12401 1 18 . 1 1 132 132 GLY H H 132 7.559 7.559 7.673 -0.114 19604 12402 1 18 . 1 1 133 133 ASP N N 133 120.901 120.901 119.697 1.204 19604 12403 1 18 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.594 -0.116 19604 12404 1 18 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.557 0.096 19604 12405 1 18 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.391 -1.120 19604 12406 1 18 . 1 1 133 133 ASP H H 133 8.340 8.340 8.722 -0.382 19604 12407 1 18 . 1 1 134 134 GLY N N 134 112.918 112.918 108.875 4.043 19604 12408 1 18 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.977 0.891 19604 12409 1 18 . 1 1 134 134 GLY H H 134 10.366 10.366 8.741 1.625 19604 12410 1 18 . 1 1 135 135 GLN N N 135 115.297 115.297 117.908 -2.611 19604 12411 1 18 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.658 0.259 19604 12412 1 18 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.899 -1.672 19604 12413 1 18 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.611 -1.268 19604 12414 1 18 . 1 1 135 135 GLN H H 135 8.012 8.012 8.555 -0.543 19604 12415 1 18 . 1 1 136 136 VAL N N 136 125.463 125.463 122.118 3.345 19604 12416 1 18 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.060 0.158 19604 12417 1 18 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.952 0.711 19604 12418 1 18 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.659 1.099 19604 12419 1 18 . 1 1 136 136 VAL H H 136 9.133 9.133 8.660 0.473 19604 12420 1 18 . 1 1 137 137 ASN N N 137 129.402 129.402 125.771 3.631 19604 12421 1 18 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.838 0.461 19604 12422 1 18 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.847 0.179 19604 12423 1 18 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.537 -1.252 19604 12424 1 18 . 1 1 137 137 ASN H H 137 9.634 9.634 8.444 1.190 19604 12425 1 18 . 1 1 138 138 TYR N N 138 118.585 118.585 121.961 -3.376 19604 12426 1 18 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.842 -0.500 19604 12427 1 18 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.479 -0.962 19604 12428 1 18 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.300 -0.604 19604 12429 1 18 . 1 1 138 138 TYR H H 138 8.400 8.400 8.828 -0.428 19604 12430 1 18 . 1 1 139 139 GLU N N 139 118.692 118.692 119.369 -0.677 19604 12431 1 18 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.739 -0.121 19604 12432 1 18 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.958 0.356 19604 12433 1 18 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.241 -0.241 19604 12434 1 18 . 1 1 139 139 GLU H H 139 8.095 8.095 8.467 -0.372 19604 12435 1 18 . 1 1 140 140 GLU N N 140 119.980 119.980 119.099 0.881 19604 12436 1 18 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.066 -0.161 19604 12437 1 18 . 1 1 140 140 GLU CA C 140 58.532 58.532 59.299 -0.767 19604 12438 1 18 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.625 0.082 19604 12439 1 18 . 1 1 140 140 GLU H H 140 8.759 8.759 8.820 -0.061 19604 12440 1 18 . 1 1 141 141 PHE N N 141 123.408 123.408 121.356 2.052 19604 12441 1 18 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.114 -0.383 19604 12442 1 18 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.740 0.242 19604 12443 1 18 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.350 0.823 19604 12444 1 18 . 1 1 141 141 PHE H H 141 8.639 8.639 8.215 0.424 19604 12445 1 18 . 1 1 142 142 VAL N N 142 119.839 119.839 119.474 0.365 19604 12446 1 18 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.445 -0.401 19604 12447 1 18 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.445 0.673 19604 12448 1 18 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.395 0.120 19604 12449 1 18 . 1 1 142 142 VAL H H 142 8.781 8.781 8.527 0.254 19604 12450 1 18 . 1 1 143 143 GLN N N 143 118.240 118.240 120.087 -1.847 19604 12451 1 18 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.985 -0.183 19604 12452 1 18 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.960 -0.143 19604 12453 1 18 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.597 -0.422 19604 12454 1 18 . 1 1 143 143 GLN H H 143 7.491 7.491 7.865 -0.374 19604 12455 1 18 . 1 1 144 144 MET N N 144 116.028 116.028 117.792 -1.764 19604 12456 1 18 . 1 1 144 144 MET HA H 144 4.145 4.145 4.168 -0.023 19604 12457 1 18 . 1 1 144 144 MET CA C 144 55.939 55.939 57.339 -1.400 19604 12458 1 18 . 1 1 144 144 MET CB C 144 31.345 31.345 32.548 -1.203 19604 12459 1 18 . 1 1 144 144 MET H H 144 7.176 7.176 7.880 -0.704 19604 12460 1 18 . 1 1 145 145 MET N N 145 116.272 116.272 116.678 -0.406 19604 12461 1 18 . 1 1 145 145 MET HA H 145 4.301 4.301 4.216 0.085 19604 12462 1 18 . 1 1 145 145 MET CA C 145 55.416 55.416 57.710 -2.294 19604 12463 1 18 . 1 1 145 145 MET CB C 145 32.831 32.831 33.073 -0.242 19604 12464 1 18 . 1 1 145 145 MET H H 145 7.831 7.831 7.476 0.355 19604 12465 1 18 . 1 1 146 146 THR N N 146 110.389 110.389 112.783 -2.394 19604 12466 1 18 . 1 1 146 146 THR HA H 146 4.308 4.308 4.339 -0.031 19604 12467 1 18 . 1 1 146 146 THR CA C 146 61.942 61.942 62.116 -0.174 19604 12468 1 18 . 1 1 146 146 THR CB C 146 70.244 70.244 68.915 1.329 19604 12469 1 18 . 1 1 146 146 THR H H 146 7.474 7.474 7.693 -0.219 19604 12470 1 18 . 1 1 147 147 ALA N N 147 126.864 126.864 123.408 3.456 19604 12471 1 18 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.594 -0.386 19604 12472 1 18 . 1 1 147 147 ALA CA C 147 52.998 52.998 50.721 2.277 19604 12473 1 18 . 1 1 147 147 ALA CB C 147 19.116 19.116 20.745 -1.629 19604 12474 1 18 . 1 1 147 147 ALA H H 147 7.622 7.622 7.017 0.605 19604 12475 1 19 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.671 -0.031 19604 12476 1 19 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.224 0.389 19604 12477 1 19 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.389 -0.038 19604 12478 1 19 . 1 1 3 3 GLN N N 3 120.300 120.300 119.092 1.208 19604 12479 1 19 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.691 -0.318 19604 12480 1 19 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.034 0.464 19604 12481 1 19 . 1 1 3 3 GLN CB C 3 29.778 29.778 31.042 -1.264 19604 12482 1 19 . 1 1 3 3 GLN H H 3 8.388 8.388 7.970 0.418 19604 12483 1 19 . 1 1 4 4 LEU N N 4 123.525 123.525 122.780 0.745 19604 12484 1 19 . 1 1 4 4 LEU HA H 4 4.687 4.687 5.000 -0.313 19604 12485 1 19 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.141 0.218 19604 12486 1 19 . 1 1 4 4 LEU CB C 4 43.653 43.653 42.386 1.266 19604 12487 1 19 . 1 1 4 4 LEU H H 4 8.299 8.299 8.556 -0.257 19604 12488 1 19 . 1 1 5 5 THR N N 5 113.299 113.299 115.487 -2.188 19604 12489 1 19 . 1 1 5 5 THR HA H 5 4.476 4.476 4.641 -0.165 19604 12490 1 19 . 1 1 5 5 THR CA C 5 60.463 60.463 59.778 0.685 19604 12491 1 19 . 1 1 5 5 THR CB C 5 71.250 71.250 71.075 0.175 19604 12492 1 19 . 1 1 5 5 THR H H 5 8.651 8.651 8.214 0.437 19604 12493 1 19 . 1 1 6 6 GLU N N 6 120.620 120.620 121.331 -0.711 19604 12494 1 19 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.038 -0.063 19604 12495 1 19 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.248 -0.313 19604 12496 1 19 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.437 -0.238 19604 12497 1 19 . 1 1 6 6 GLU H H 6 9.014 9.014 8.942 0.072 19604 12498 1 19 . 1 1 7 7 GLU N N 7 119.586 119.586 118.155 1.431 19604 12499 1 19 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.033 0.035 19604 12500 1 19 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.014 0.929 19604 12501 1 19 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.353 -0.275 19604 12502 1 19 . 1 1 7 7 GLU H H 7 8.713 8.713 8.250 0.463 19604 12503 1 19 . 1 1 8 8 GLN N N 8 120.413 120.413 119.137 1.276 19604 12504 1 19 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.007 -0.182 19604 12505 1 19 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.482 0.293 19604 12506 1 19 . 1 1 8 8 GLN CB C 8 29.460 29.460 29.001 0.459 19604 12507 1 19 . 1 1 8 8 GLN H H 8 7.719 7.719 7.419 0.300 19604 12508 1 19 . 1 1 9 9 ILE N N 9 119.362 119.362 120.730 -1.368 19604 12509 1 19 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.916 -0.248 19604 12510 1 19 . 1 1 9 9 ILE CA C 9 66.235 66.235 64.941 1.294 19604 12511 1 19 . 1 1 9 9 ILE CB C 9 37.821 37.821 38.004 -0.183 19604 12512 1 19 . 1 1 9 9 ILE H H 9 8.267 8.267 8.625 -0.358 19604 12513 1 19 . 1 1 10 10 ALA N N 10 121.321 121.321 121.412 -0.091 19604 12514 1 19 . 1 1 10 10 ALA HA H 10 4.118 4.118 4.017 0.101 19604 12515 1 19 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.439 -0.042 19604 12516 1 19 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.992 -0.196 19604 12517 1 19 . 1 1 10 10 ALA H H 10 8.023 8.023 8.403 -0.380 19604 12518 1 19 . 1 1 11 11 GLU N N 11 119.865 119.865 119.311 0.554 19604 12519 1 19 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.079 0.062 19604 12520 1 19 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.967 0.444 19604 12521 1 19 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.442 -0.234 19604 12522 1 19 . 1 1 11 11 GLU H H 11 7.761 7.761 7.523 0.238 19604 12523 1 19 . 1 1 12 12 PHE N N 12 119.971 119.971 119.236 0.735 19604 12524 1 19 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.393 0.630 19604 12525 1 19 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.231 -1.519 19604 12526 1 19 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.399 -0.882 19604 12527 1 19 . 1 1 12 12 PHE H H 12 8.479 8.479 7.566 0.913 19604 12528 1 19 . 1 1 13 13 LYS N N 13 123.604 123.604 119.979 3.625 19604 12529 1 19 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.141 -0.167 19604 12530 1 19 . 1 1 13 13 LYS CA C 13 59.956 59.956 59.899 0.057 19604 12531 1 19 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.227 -0.449 19604 12532 1 19 . 1 1 13 13 LYS H H 13 9.222 9.222 8.686 0.536 19604 12533 1 19 . 1 1 14 14 GLU N N 14 120.976 120.976 117.866 3.110 19604 12534 1 19 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.132 -0.019 19604 12535 1 19 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.203 0.359 19604 12536 1 19 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.343 0.072 19604 12537 1 19 . 1 1 14 14 GLU H H 14 7.924 7.924 7.836 0.088 19604 12538 1 19 . 1 1 15 15 ALA N N 15 122.303 122.303 122.237 0.066 19604 12539 1 19 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.181 0.143 19604 12540 1 19 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.892 0.246 19604 12541 1 19 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.354 -0.352 19604 12542 1 19 . 1 1 15 15 ALA H H 15 7.990 7.990 7.797 0.193 19604 12543 1 19 . 1 1 16 16 PHE N N 16 119.011 119.011 119.112 -0.101 19604 12544 1 19 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.534 -0.264 19604 12545 1 19 . 1 1 16 16 PHE CA C 16 61.988 61.988 61.076 0.912 19604 12546 1 19 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.112 0.794 19604 12547 1 19 . 1 1 16 16 PHE H H 16 8.666 8.666 7.764 0.902 19604 12548 1 19 . 1 1 17 17 SER N N 17 113.988 113.988 113.612 0.376 19604 12549 1 19 . 1 1 17 17 SER HA H 17 4.086 4.086 4.020 0.066 19604 12550 1 19 . 1 1 17 17 SER CA C 17 61.532 61.532 60.979 0.553 19604 12551 1 19 . 1 1 17 17 SER CB C 17 62.921 62.921 63.205 -0.284 19604 12552 1 19 . 1 1 17 17 SER H H 17 8.202 8.202 7.853 0.349 19604 12553 1 19 . 1 1 18 18 LEU N N 18 120.913 120.913 120.684 0.229 19604 12554 1 19 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.000 -0.050 19604 12555 1 19 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.286 0.201 19604 12556 1 19 . 1 1 18 18 LEU CB C 18 41.523 41.523 42.128 -0.605 19604 12557 1 19 . 1 1 18 18 LEU H H 18 7.280 7.280 7.216 0.064 19604 12558 1 19 . 1 1 19 19 PHE N N 19 113.613 113.613 114.997 -1.384 19604 12559 1 19 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.216 -0.184 19604 12560 1 19 . 1 1 19 19 PHE CA C 19 59.406 59.406 60.028 -0.622 19604 12561 1 19 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.407 2.150 19604 12562 1 19 . 1 1 19 19 PHE H H 19 7.070 7.070 7.315 -0.245 19604 12563 1 19 . 1 1 20 20 ASP N N 20 117.393 117.393 119.539 -2.146 19604 12564 1 19 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.386 0.207 19604 12565 1 19 . 1 1 20 20 ASP CA C 20 52.468 52.468 54.538 -2.070 19604 12566 1 19 . 1 1 20 20 ASP CB C 20 39.296 39.296 39.959 -0.662 19604 12567 1 19 . 1 1 20 20 ASP H H 20 7.790 7.790 7.511 0.279 19604 12568 1 19 . 1 1 21 21 LYS N N 21 124.292 124.292 123.770 0.522 19604 12569 1 19 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.019 -0.041 19604 12570 1 19 . 1 1 21 21 LYS CA C 21 58.320 58.320 57.898 0.422 19604 12571 1 19 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.562 0.111 19604 12572 1 19 . 1 1 21 21 LYS H H 21 7.707 7.707 8.115 -0.408 19604 12573 1 19 . 1 1 22 22 ASP N N 22 114.139 114.139 115.045 -0.906 19604 12574 1 19 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.484 0.096 19604 12575 1 19 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.917 -1.126 19604 12576 1 19 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.367 -0.802 19604 12577 1 19 . 1 1 22 22 ASP H H 22 8.025 8.025 8.187 -0.162 19604 12578 1 19 . 1 1 23 23 GLY N N 23 109.378 109.378 110.057 -0.679 19604 12579 1 19 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.257 0.959 19604 12580 1 19 . 1 1 23 23 GLY H H 23 7.661 7.661 7.850 -0.189 19604 12581 1 19 . 1 1 24 24 ASP N N 24 121.022 121.022 121.794 -0.772 19604 12582 1 19 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.589 -0.074 19604 12583 1 19 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.323 0.355 19604 12584 1 19 . 1 1 24 24 ASP CB C 24 40.503 40.503 42.021 -1.518 19604 12585 1 19 . 1 1 24 24 ASP H H 24 8.466 8.466 8.542 -0.076 19604 12586 1 19 . 1 1 25 25 GLY N N 25 112.810 112.810 110.160 2.650 19604 12587 1 19 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.428 -0.082 19604 12588 1 19 . 1 1 25 25 GLY H H 25 10.507 10.507 9.290 1.217 19604 12589 1 19 . 1 1 26 26 THR N N 26 112.094 112.094 111.415 0.679 19604 12590 1 19 . 1 1 26 26 THR HA H 26 5.431 5.431 5.584 -0.153 19604 12591 1 19 . 1 1 26 26 THR CA C 26 59.576 59.576 60.666 -1.090 19604 12592 1 19 . 1 1 26 26 THR CB C 26 72.730 72.730 72.568 0.162 19604 12593 1 19 . 1 1 26 26 THR H H 26 8.191 8.191 8.549 -0.358 19604 12594 1 19 . 1 1 27 27 ILE N N 27 126.447 126.447 125.356 1.091 19604 12595 1 19 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.659 0.108 19604 12596 1 19 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.368 0.762 19604 12597 1 19 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.551 1.437 19604 12598 1 19 . 1 1 27 27 ILE H H 27 9.845 9.845 8.962 0.883 19604 12599 1 19 . 1 1 28 28 THR N N 28 116.315 116.315 119.323 -3.008 19604 12600 1 19 . 1 1 28 28 THR HA H 28 4.894 4.894 4.959 -0.065 19604 12601 1 19 . 1 1 28 28 THR CA C 28 59.217 59.217 59.714 -0.497 19604 12602 1 19 . 1 1 28 28 THR CB C 28 72.480 72.480 71.332 1.148 19604 12603 1 19 . 1 1 28 28 THR H H 28 8.322 8.322 9.145 -0.823 19604 12604 1 19 . 1 1 29 29 THR N N 29 112.270 112.270 113.230 -0.960 19604 12605 1 19 . 1 1 29 29 THR HA H 29 3.790 3.790 4.032 -0.242 19604 12606 1 19 . 1 1 29 29 THR CA C 29 66.207 66.207 66.180 0.027 19604 12607 1 19 . 1 1 29 29 THR CB C 29 67.737 67.737 68.359 -0.622 19604 12608 1 19 . 1 1 29 29 THR H H 29 9.251 9.251 8.828 0.423 19604 12609 1 19 . 1 1 30 30 LYS N N 30 121.127 121.127 121.965 -0.838 19604 12610 1 19 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.178 -0.059 19604 12611 1 19 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.281 -0.024 19604 12612 1 19 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.394 0.139 19604 12613 1 19 . 1 1 30 30 LYS H H 30 7.569 7.569 7.509 0.060 19604 12614 1 19 . 1 1 31 31 GLU N N 31 121.876 121.876 120.235 1.641 19604 12615 1 19 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.059 -0.043 19604 12616 1 19 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.376 0.081 19604 12617 1 19 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.619 -0.068 19604 12618 1 19 . 1 1 31 31 GLU H H 31 7.715 7.715 7.747 -0.031 19604 12619 1 19 . 1 1 32 32 LEU N N 32 120.674 120.674 120.661 0.013 19604 12620 1 19 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.206 -0.012 19604 12621 1 19 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.314 0.873 19604 12622 1 19 . 1 1 32 32 LEU CB C 32 42.156 42.156 42.074 0.082 19604 12623 1 19 . 1 1 32 32 LEU H H 32 8.592 8.592 8.527 0.065 19604 12624 1 19 . 1 1 33 33 GLY N N 33 106.859 106.859 105.431 1.428 19604 12625 1 19 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.536 0.691 19604 12626 1 19 . 1 1 33 33 GLY H H 33 8.861 8.861 8.003 0.858 19604 12627 1 19 . 1 1 34 34 THR N N 34 118.512 118.512 118.825 -0.313 19604 12628 1 19 . 1 1 34 34 THR HA H 34 3.935 3.935 4.041 -0.106 19604 12629 1 19 . 1 1 34 34 THR CA C 34 66.964 66.964 66.725 0.239 19604 12630 1 19 . 1 1 34 34 THR CB C 34 68.610 68.610 68.638 -0.028 19604 12631 1 19 . 1 1 34 34 THR H H 34 7.965 7.965 7.562 0.403 19604 12632 1 19 . 1 1 35 35 VAL N N 35 122.456 122.456 121.754 0.702 19604 12633 1 19 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.683 -0.112 19604 12634 1 19 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.196 0.363 19604 12635 1 19 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.232 0.299 19604 12636 1 19 . 1 1 35 35 VAL H H 35 7.532 7.532 7.484 0.048 19604 12637 1 19 . 1 1 36 36 MET N N 36 118.015 118.015 116.646 1.369 19604 12638 1 19 . 1 1 36 36 MET HA H 36 3.899 3.899 4.134 -0.235 19604 12639 1 19 . 1 1 36 36 MET CA C 36 60.156 60.156 58.672 1.484 19604 12640 1 19 . 1 1 36 36 MET CB C 36 31.731 31.731 31.320 0.411 19604 12641 1 19 . 1 1 36 36 MET H H 36 8.525 8.525 8.159 0.366 19604 12642 1 19 . 1 1 37 37 ARG N N 37 119.604 119.604 119.915 -0.311 19604 12643 1 19 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.008 0.773 19604 12644 1 19 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.775 -0.519 19604 12645 1 19 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.593 0.020 19604 12646 1 19 . 1 1 37 37 ARG H H 37 8.579 8.579 7.797 0.782 19604 12647 1 19 . 1 1 38 38 SER N N 38 119.543 119.543 113.428 6.115 19604 12648 1 19 . 1 1 38 38 SER HA H 38 4.396 4.396 4.294 0.102 19604 12649 1 19 . 1 1 38 38 SER CA C 38 61.758 61.758 60.775 0.983 19604 12650 1 19 . 1 1 38 38 SER CB C 38 62.691 62.691 62.722 -0.031 19604 12651 1 19 . 1 1 38 38 SER H H 38 7.939 7.939 7.675 0.264 19604 12652 1 19 . 1 1 39 39 LEU N N 39 120.454 120.454 119.185 1.269 19604 12653 1 19 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.414 0.027 19604 12654 1 19 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.375 -0.759 19604 12655 1 19 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.574 -0.444 19604 12656 1 19 . 1 1 39 39 LEU H H 39 7.394 7.394 7.526 -0.132 19604 12657 1 19 . 1 1 40 40 GLY N N 40 107.378 107.378 106.328 1.050 19604 12658 1 19 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.515 1.100 19604 12659 1 19 . 1 1 40 40 GLY H H 40 7.897 7.897 7.652 0.245 19604 12660 1 19 . 1 1 41 41 GLN N N 41 118.330 118.330 120.170 -1.840 19604 12661 1 19 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.630 -0.129 19604 12662 1 19 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.220 0.098 19604 12663 1 19 . 1 1 41 41 GLN CB C 41 30.494 30.494 30.918 -0.424 19604 12664 1 19 . 1 1 41 41 GLN H H 41 7.883 7.883 8.238 -0.355 19604 12665 1 19 . 1 1 42 42 ASN N N 42 116.488 116.488 124.903 -8.415 19604 12666 1 19 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.113 0.099 19604 12667 1 19 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.518 1.610 19604 12668 1 19 . 1 1 42 42 ASN CB C 42 39.171 39.171 39.187 -0.015 19604 12669 1 19 . 1 1 42 42 ASN H H 42 8.697 8.697 8.593 0.104 19604 12670 1 19 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.663 0.121 19604 12671 1 19 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.445 -0.123 19604 12672 1 19 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.609 -0.331 19604 12673 1 19 . 1 1 44 44 THR N N 44 112.452 112.452 111.890 0.562 19604 12674 1 19 . 1 1 44 44 THR HA H 44 4.461 4.461 4.542 -0.081 19604 12675 1 19 . 1 1 44 44 THR CA C 44 60.411 60.411 59.734 0.677 19604 12676 1 19 . 1 1 44 44 THR CB C 44 71.068 71.068 72.023 -0.955 19604 12677 1 19 . 1 1 44 44 THR H H 44 8.678 8.678 8.082 0.596 19604 12678 1 19 . 1 1 45 45 GLU N N 45 120.954 120.954 125.135 -4.181 19604 12679 1 19 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.927 0.083 19604 12680 1 19 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.420 -0.537 19604 12681 1 19 . 1 1 45 45 GLU H H 45 8.803 8.803 9.127 -0.324 19604 12682 1 19 . 1 1 46 46 ALA N N 46 120.643 120.643 120.481 0.162 19604 12683 1 19 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.164 -0.047 19604 12684 1 19 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.573 0.440 19604 12685 1 19 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.248 -0.075 19604 12686 1 19 . 1 1 46 46 ALA H H 46 8.272 8.272 8.404 -0.132 19604 12687 1 19 . 1 1 47 47 GLU N N 47 119.059 119.059 120.525 -1.466 19604 12688 1 19 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.082 -0.047 19604 12689 1 19 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.202 -0.039 19604 12690 1 19 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.533 0.393 19604 12691 1 19 . 1 1 47 47 GLU H H 47 7.686 7.686 7.703 -0.017 19604 12692 1 19 . 1 1 48 48 LEU N N 48 119.848 119.848 120.349 -0.501 19604 12693 1 19 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.884 0.141 19604 12694 1 19 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.176 -0.335 19604 12695 1 19 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.866 0.564 19604 12696 1 19 . 1 1 48 48 LEU H H 48 8.036 8.036 8.484 -0.448 19604 12697 1 19 . 1 1 49 49 GLN N N 49 118.226 118.226 118.173 0.053 19604 12698 1 19 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.973 -0.170 19604 12699 1 19 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.865 -0.304 19604 12700 1 19 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.861 0.381 19604 12701 1 19 . 1 1 49 49 GLN H H 49 8.323 8.323 7.785 0.538 19604 12702 1 19 . 1 1 50 50 ASP N N 50 119.928 119.928 119.673 0.255 19604 12703 1 19 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.455 -0.057 19604 12704 1 19 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.904 0.705 19604 12705 1 19 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.833 -0.200 19604 12706 1 19 . 1 1 50 50 ASP H H 50 8.147 8.147 7.434 0.713 19604 12707 1 19 . 1 1 51 51 MET N N 51 117.796 117.796 117.289 0.507 19604 12708 1 19 . 1 1 51 51 MET HA H 51 4.050 4.050 4.205 -0.155 19604 12709 1 19 . 1 1 51 51 MET CA C 51 59.555 59.555 58.964 0.591 19604 12710 1 19 . 1 1 51 51 MET CB C 51 32.846 32.846 32.624 0.222 19604 12711 1 19 . 1 1 51 51 MET H H 51 7.814 7.814 8.082 -0.268 19604 12712 1 19 . 1 1 52 52 ILE N N 52 118.474 118.474 120.029 -1.555 19604 12713 1 19 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.560 0.039 19604 12714 1 19 . 1 1 52 52 ILE CA C 52 64.106 64.106 65.072 -0.966 19604 12715 1 19 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.603 -0.544 19604 12716 1 19 . 1 1 52 52 ILE H H 52 7.685 7.685 8.640 -0.955 19604 12717 1 19 . 1 1 53 53 ASN N N 53 118.591 118.591 116.122 2.469 19604 12718 1 19 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.451 -0.034 19604 12719 1 19 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.459 0.446 19604 12720 1 19 . 1 1 53 53 ASN CB C 53 37.991 37.991 37.947 0.044 19604 12721 1 19 . 1 1 53 53 ASN H H 53 8.786 8.786 7.876 0.910 19604 12722 1 19 . 1 1 54 54 GLU N N 54 115.327 115.327 117.007 -1.680 19604 12723 1 19 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.177 -0.129 19604 12724 1 19 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.167 0.910 19604 12725 1 19 . 1 1 54 54 GLU CB C 54 30.925 30.925 30.100 0.825 19604 12726 1 19 . 1 1 54 54 GLU H H 54 7.368 7.368 7.542 -0.174 19604 12727 1 19 . 1 1 55 55 VAL N N 55 111.285 111.285 110.643 0.642 19604 12728 1 19 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.056 0.171 19604 12729 1 19 . 1 1 55 55 VAL CA C 55 60.832 60.832 62.591 -1.759 19604 12730 1 19 . 1 1 55 55 VAL CB C 55 33.316 33.316 32.072 1.244 19604 12731 1 19 . 1 1 55 55 VAL H H 55 7.133 7.133 7.052 0.081 19604 12732 1 19 . 1 1 56 56 ASP N N 56 121.291 121.291 121.911 -0.620 19604 12733 1 19 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.831 -0.363 19604 12734 1 19 . 1 1 56 56 ASP CA C 56 53.700 53.700 54.194 -0.494 19604 12735 1 19 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.278 0.305 19604 12736 1 19 . 1 1 56 56 ASP H H 56 7.567 7.567 7.823 -0.256 19604 12737 1 19 . 1 1 57 57 ALA N N 57 131.432 131.432 129.659 1.773 19604 12738 1 19 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.184 0.045 19604 12739 1 19 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.643 0.712 19604 12740 1 19 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.830 -0.135 19604 12741 1 19 . 1 1 57 57 ALA H H 57 8.064 8.064 8.000 0.064 19604 12742 1 19 . 1 1 58 58 ASP N N 58 114.063 114.063 116.375 -2.312 19604 12743 1 19 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.612 0.025 19604 12744 1 19 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.524 -0.756 19604 12745 1 19 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.941 -1.093 19604 12746 1 19 . 1 1 58 58 ASP H H 58 8.211 8.211 8.589 -0.378 19604 12747 1 19 . 1 1 59 59 GLY N N 59 108.646 108.646 109.502 -0.856 19604 12748 1 19 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.934 1.266 19604 12749 1 19 . 1 1 59 59 GLY H H 59 7.584 7.584 7.847 -0.263 19604 12750 1 19 . 1 1 60 60 ASN N N 60 118.886 118.886 119.121 -0.235 19604 12751 1 19 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.742 -0.122 19604 12752 1 19 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.430 0.247 19604 12753 1 19 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.850 -2.272 19604 12754 1 19 . 1 1 60 60 ASN H H 60 8.162 8.162 8.637 -0.475 19604 12755 1 19 . 1 1 61 61 GLY N N 61 113.458 113.458 110.080 3.378 19604 12756 1 19 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.333 0.306 19604 12757 1 19 . 1 1 61 61 GLY H H 61 10.568 10.568 9.309 1.259 19604 12758 1 19 . 1 1 62 62 THR N N 62 108.490 108.490 110.587 -2.097 19604 12759 1 19 . 1 1 62 62 THR HA H 62 4.800 4.800 4.903 -0.103 19604 12760 1 19 . 1 1 62 62 THR CA C 62 59.327 59.327 60.120 -0.792 19604 12761 1 19 . 1 1 62 62 THR CB C 62 72.409 72.409 72.248 0.161 19604 12762 1 19 . 1 1 62 62 THR H H 62 7.643 7.643 8.353 -0.710 19604 12763 1 19 . 1 1 63 63 ILE N N 63 123.350 123.350 122.481 0.869 19604 12764 1 19 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.684 0.530 19604 12765 1 19 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.690 -1.639 19604 12766 1 19 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.971 0.634 19604 12767 1 19 . 1 1 63 63 ILE H H 63 8.544 8.544 8.398 0.146 19604 12768 1 19 . 1 1 64 64 ASP N N 64 128.480 128.480 128.330 0.150 19604 12769 1 19 . 1 1 64 64 ASP HA H 64 5.507 5.507 4.917 0.590 19604 12770 1 19 . 1 1 64 64 ASP CA C 64 51.985 51.985 54.124 -2.139 19604 12771 1 19 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.801 0.402 19604 12772 1 19 . 1 1 64 64 ASP H H 64 8.902 8.902 8.006 0.896 19604 12773 1 19 . 1 1 65 65 PHE N N 65 118.622 118.622 120.416 -1.794 19604 12774 1 19 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.226 0.753 19604 12775 1 19 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.481 1.604 19604 12776 1 19 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.483 -0.582 19604 12777 1 19 . 1 1 65 65 PHE H H 65 8.967 8.967 8.833 0.134 19604 12778 1 19 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.649 0.239 19604 12779 1 19 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.881 1.969 19604 12780 1 19 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.721 0.079 19604 12781 1 19 . 1 1 67 67 GLU N N 67 118.243 118.243 118.782 -0.539 19604 12782 1 19 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.908 0.057 19604 12783 1 19 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.795 -0.750 19604 12784 1 19 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.898 0.977 19604 12785 1 19 . 1 1 67 67 GLU H H 67 8.420 8.420 8.211 0.209 19604 12786 1 19 . 1 1 68 68 PHE N N 68 124.020 124.020 119.396 4.624 19604 12787 1 19 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.310 -0.525 19604 12788 1 19 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.859 0.628 19604 12789 1 19 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.546 1.236 19604 12790 1 19 . 1 1 68 68 PHE H H 68 8.638 8.638 7.542 1.096 19604 12791 1 19 . 1 1 69 69 LEU N N 69 120.062 120.062 121.112 -1.050 19604 12792 1 19 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.887 -0.519 19604 12793 1 19 . 1 1 69 69 LEU CA C 69 57.854 57.854 58.132 -0.278 19604 12794 1 19 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.245 0.140 19604 12795 1 19 . 1 1 69 69 LEU H H 69 8.972 8.972 7.397 1.575 19604 12796 1 19 . 1 1 70 70 THR N N 70 115.488 115.488 114.183 1.305 19604 12797 1 19 . 1 1 70 70 THR HA H 70 3.697 3.697 3.788 -0.091 19604 12798 1 19 . 1 1 70 70 THR CA C 70 66.558 66.558 66.076 0.482 19604 12799 1 19 . 1 1 70 70 THR CB C 70 68.396 68.396 68.548 -0.152 19604 12800 1 19 . 1 1 70 70 THR H H 70 7.855 7.855 8.217 -0.362 19604 12801 1 19 . 1 1 71 71 MET N N 71 119.627 119.627 120.500 -0.873 19604 12802 1 19 . 1 1 71 71 MET HA H 71 3.757 3.757 3.974 -0.217 19604 12803 1 19 . 1 1 71 71 MET CA C 71 58.334 58.334 59.225 -0.891 19604 12804 1 19 . 1 1 71 71 MET CB C 71 30.736 30.736 32.099 -1.363 19604 12805 1 19 . 1 1 71 71 MET H H 71 7.155 7.155 7.275 -0.120 19604 12806 1 19 . 1 1 72 72 MET N N 72 116.046 116.046 116.607 -0.561 19604 12807 1 19 . 1 1 72 72 MET HA H 72 3.977 3.977 3.940 0.037 19604 12808 1 19 . 1 1 72 72 MET CA C 72 55.138 55.138 58.251 -3.113 19604 12809 1 19 . 1 1 72 72 MET CB C 72 29.103 29.103 31.476 -2.373 19604 12810 1 19 . 1 1 72 72 MET H H 72 7.646 7.646 7.342 0.304 19604 12811 1 19 . 1 1 73 73 ALA N N 73 120.685 120.685 120.747 -0.062 19604 12812 1 19 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.037 0.145 19604 12813 1 19 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.447 -1.347 19604 12814 1 19 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.154 1.137 19604 12815 1 19 . 1 1 73 73 ALA H H 73 8.080 8.080 7.500 0.580 19604 12816 1 19 . 1 1 74 74 ARG N N 74 118.501 118.501 118.150 0.351 19604 12817 1 19 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.997 0.191 19604 12818 1 19 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.579 -1.602 19604 12819 1 19 . 1 1 74 74 ARG CB C 74 30.517 30.517 30.082 0.435 19604 12820 1 19 . 1 1 74 74 ARG H H 74 7.367 7.367 7.991 -0.624 19604 12821 1 19 . 1 1 76 76 MET HA H 76 4.413 4.413 4.179 0.234 19604 12822 1 19 . 1 1 76 76 MET CA C 76 55.804 55.804 57.961 -2.157 19604 12823 1 19 . 1 1 76 76 MET CB C 76 33.291 33.291 33.138 0.153 19604 12824 1 19 . 1 1 77 77 LYS N N 77 121.563 121.563 116.202 5.361 19604 12825 1 19 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.442 -0.121 19604 12826 1 19 . 1 1 77 77 LYS CA C 77 56.418 56.418 55.183 1.235 19604 12827 1 19 . 1 1 77 77 LYS CB C 77 33.251 33.251 34.881 -1.630 19604 12828 1 19 . 1 1 77 77 LYS H H 77 8.253 8.253 7.497 0.756 19604 12829 1 19 . 1 1 78 78 ASP N N 78 121.953 121.953 117.113 4.840 19604 12830 1 19 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.393 0.225 19604 12831 1 19 . 1 1 78 78 ASP CA C 78 54.855 54.855 55.166 -0.311 19604 12832 1 19 . 1 1 78 78 ASP CB C 78 41.116 41.116 40.270 0.846 19604 12833 1 19 . 1 1 78 78 ASP H H 78 8.362 8.362 8.577 -0.215 19604 12834 1 19 . 1 1 79 79 THR N N 79 113.276 113.276 111.850 1.426 19604 12835 1 19 . 1 1 79 79 THR HA H 79 4.305 4.305 4.645 -0.340 19604 12836 1 19 . 1 1 79 79 THR CA C 79 62.124 62.124 61.740 0.384 19604 12837 1 19 . 1 1 79 79 THR CB C 79 69.634 69.634 71.291 -1.657 19604 12838 1 19 . 1 1 79 79 THR H H 79 8.014 8.014 7.862 0.152 19604 12839 1 19 . 1 1 80 80 ASP N N 80 122.850 122.850 124.611 -1.761 19604 12840 1 19 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.658 0.017 19604 12841 1 19 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.170 -0.515 19604 12842 1 19 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.766 -0.342 19604 12843 1 19 . 1 1 80 80 ASP H H 80 8.316 8.316 8.739 -0.423 19604 12844 1 19 . 1 1 81 81 SER N N 81 116.864 116.864 116.708 0.156 19604 12845 1 19 . 1 1 81 81 SER HA H 81 4.429 4.429 4.241 0.188 19604 12846 1 19 . 1 1 81 81 SER CA C 81 59.337 59.337 61.389 -2.052 19604 12847 1 19 . 1 1 81 81 SER CB C 81 63.672 63.672 63.106 0.566 19604 12848 1 19 . 1 1 81 81 SER H H 81 8.391 8.391 8.712 -0.321 19604 12849 1 19 . 1 1 82 82 GLU N N 82 122.561 122.561 118.744 3.817 19604 12850 1 19 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.332 -0.259 19604 12851 1 19 . 1 1 82 82 GLU CA C 82 59.179 59.179 58.666 0.513 19604 12852 1 19 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.642 -0.130 19604 12853 1 19 . 1 1 82 82 GLU H H 82 8.479 8.479 8.612 -0.133 19604 12854 1 19 . 1 1 83 83 GLU N N 83 119.348 119.348 121.003 -1.655 19604 12855 1 19 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.048 -0.004 19604 12856 1 19 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.304 0.343 19604 12857 1 19 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.046 0.485 19604 12858 1 19 . 1 1 83 83 GLU H H 83 8.279 8.279 8.345 -0.066 19604 12859 1 19 . 1 1 84 84 GLU N N 84 118.810 118.810 119.420 -0.610 19604 12860 1 19 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.120 -0.007 19604 12861 1 19 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.341 0.136 19604 12862 1 19 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.223 0.446 19604 12863 1 19 . 1 1 84 84 GLU H H 84 8.062 8.062 8.357 -0.295 19604 12864 1 19 . 1 1 85 85 ILE N N 85 122.019 122.019 119.481 2.538 19604 12865 1 19 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.033 -0.115 19604 12866 1 19 . 1 1 85 85 ILE CA C 85 65.327 65.327 64.972 0.355 19604 12867 1 19 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.846 -0.418 19604 12868 1 19 . 1 1 85 85 ILE H H 85 8.008 8.008 7.624 0.384 19604 12869 1 19 . 1 1 86 86 ARG N N 86 121.851 121.851 120.986 0.865 19604 12870 1 19 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.014 0.151 19604 12871 1 19 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.578 0.448 19604 12872 1 19 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.678 0.289 19604 12873 1 19 . 1 1 86 86 ARG H H 86 8.446 8.446 8.798 -0.352 19604 12874 1 19 . 1 1 87 87 GLU N N 87 118.621 118.621 118.922 -0.301 19604 12875 1 19 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.036 0.074 19604 12876 1 19 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.516 -0.409 19604 12877 1 19 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.444 -0.018 19604 12878 1 19 . 1 1 87 87 GLU H H 87 8.149 8.149 8.272 -0.123 19604 12879 1 19 . 1 1 88 88 ALA N N 88 121.741 121.741 121.869 -0.128 19604 12880 1 19 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.730 0.295 19604 12881 1 19 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.831 0.155 19604 12882 1 19 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.236 -0.512 19604 12883 1 19 . 1 1 88 88 ALA H H 88 7.880 7.880 7.601 0.279 19604 12884 1 19 . 1 1 89 89 PHE N N 89 118.057 118.057 118.789 -0.732 19604 12885 1 19 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.851 -0.702 19604 12886 1 19 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.485 0.881 19604 12887 1 19 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.270 0.067 19604 12888 1 19 . 1 1 89 89 PHE H H 89 8.463 8.463 8.449 0.014 19604 12889 1 19 . 1 1 90 90 ARG N N 90 115.723 115.723 118.858 -3.135 19604 12890 1 19 . 1 1 90 90 ARG HA H 90 3.892 3.892 4.044 -0.152 19604 12891 1 19 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.141 -0.253 19604 12892 1 19 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.151 0.255 19604 12893 1 19 . 1 1 90 90 ARG H H 90 7.775 7.775 8.023 -0.248 19604 12894 1 19 . 1 1 91 91 VAL N N 91 118.161 118.161 117.300 0.861 19604 12895 1 19 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.703 -0.179 19604 12896 1 19 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.110 0.486 19604 12897 1 19 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.450 0.094 19604 12898 1 19 . 1 1 91 91 VAL H H 91 7.484 7.484 7.595 -0.111 19604 12899 1 19 . 1 1 92 92 PHE N N 92 117.398 117.398 115.114 2.284 19604 12900 1 19 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.411 -0.133 19604 12901 1 19 . 1 1 92 92 PHE CA C 92 58.681 58.681 56.654 2.027 19604 12902 1 19 . 1 1 92 92 PHE CB C 92 39.854 39.854 39.052 0.802 19604 12903 1 19 . 1 1 92 92 PHE H H 92 7.544 7.544 6.930 0.614 19604 12904 1 19 . 1 1 93 93 ASP N N 93 117.503 117.503 120.694 -3.191 19604 12905 1 19 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.590 -0.049 19604 12906 1 19 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.520 -1.338 19604 12907 1 19 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.880 -1.453 19604 12908 1 19 . 1 1 93 93 ASP H H 93 7.963 7.963 7.907 0.056 19604 12909 1 19 . 1 1 94 94 LYS N N 94 125.976 125.976 123.793 2.183 19604 12910 1 19 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.113 -0.207 19604 12911 1 19 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.953 1.109 19604 12912 1 19 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.632 0.401 19604 12913 1 19 . 1 1 94 94 LYS H H 94 7.585 7.585 7.944 -0.359 19604 12914 1 19 . 1 1 95 95 ASP N N 95 114.100 114.100 114.745 -0.645 19604 12915 1 19 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.524 0.030 19604 12916 1 19 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.759 -0.693 19604 12917 1 19 . 1 1 95 95 ASP CB C 95 39.749 39.749 39.976 -0.227 19604 12918 1 19 . 1 1 95 95 ASP H H 95 8.186 8.186 8.210 -0.024 19604 12919 1 19 . 1 1 96 96 GLY N N 96 109.383 109.383 109.067 0.316 19604 12920 1 19 . 1 1 96 96 GLY CA C 96 47.148 47.148 45.974 1.174 19604 12921 1 19 . 1 1 96 96 GLY H H 96 7.809 7.809 7.936 -0.127 19604 12922 1 19 . 1 1 97 97 ASN N N 97 119.744 119.744 118.420 1.324 19604 12923 1 19 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.623 0.023 19604 12924 1 19 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.843 -0.188 19604 12925 1 19 . 1 1 97 97 ASN CB C 97 38.189 38.189 39.322 -1.133 19604 12926 1 19 . 1 1 97 97 ASN H H 97 8.336 8.336 8.547 -0.211 19604 12927 1 19 . 1 1 98 98 GLY N N 98 112.937 112.937 107.675 5.262 19604 12928 1 19 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.719 -0.687 19604 12929 1 19 . 1 1 98 98 GLY H H 98 10.653 10.653 8.814 1.839 19604 12930 1 19 . 1 1 99 99 TYR N N 99 115.956 115.956 118.294 -2.338 19604 12931 1 19 . 1 1 99 99 TYR HA H 99 5.061 5.061 4.998 0.063 19604 12932 1 19 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.829 -1.640 19604 12933 1 19 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.042 1.002 19604 12934 1 19 . 1 1 99 99 TYR H H 99 7.630 7.630 8.587 -0.957 19604 12935 1 19 . 1 1 100 100 ILE N N 100 127.360 127.360 124.300 3.060 19604 12936 1 19 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.613 0.171 19604 12937 1 19 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.364 0.656 19604 12938 1 19 . 1 1 100 100 ILE CB C 100 38.985 38.985 39.977 -0.992 19604 12939 1 19 . 1 1 100 100 ILE H H 100 10.174 10.174 9.108 1.066 19604 12940 1 19 . 1 1 101 101 SER N N 101 124.117 124.117 122.388 1.729 19604 12941 1 19 . 1 1 101 101 SER HA H 101 4.885 4.885 4.893 -0.008 19604 12942 1 19 . 1 1 101 101 SER CA C 101 55.722 55.722 55.816 -0.094 19604 12943 1 19 . 1 1 101 101 SER CB C 101 66.631 66.631 66.306 0.325 19604 12944 1 19 . 1 1 101 101 SER H H 101 8.977 8.977 8.523 0.454 19604 12945 1 19 . 1 1 102 102 ALA N N 102 123.057 123.057 123.661 -0.604 19604 12946 1 19 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.061 -0.137 19604 12947 1 19 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.535 0.419 19604 12948 1 19 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.442 -0.551 19604 12949 1 19 . 1 1 102 102 ALA H H 102 9.261 9.261 9.032 0.229 19604 12950 1 19 . 1 1 103 103 ALA N N 103 118.685 118.685 120.878 -2.193 19604 12951 1 19 . 1 1 103 103 ALA HA H 103 4.024 4.024 3.960 0.064 19604 12952 1 19 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.884 0.335 19604 12953 1 19 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.351 -0.036 19604 12954 1 19 . 1 1 103 103 ALA H H 103 8.271 8.271 7.981 0.290 19604 12955 1 19 . 1 1 104 104 GLU N N 104 119.737 119.737 118.959 0.778 19604 12956 1 19 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.059 -0.022 19604 12957 1 19 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.923 0.327 19604 12958 1 19 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.777 -0.561 19604 12959 1 19 . 1 1 104 104 GLU H H 104 7.857 7.857 7.408 0.449 19604 12960 1 19 . 1 1 105 105 LEU N N 105 122.037 122.037 121.282 0.755 19604 12961 1 19 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.848 0.188 19604 12962 1 19 . 1 1 105 105 LEU CA C 105 58.052 58.052 58.036 0.016 19604 12963 1 19 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.822 0.291 19604 12964 1 19 . 1 1 105 105 LEU H H 105 8.685 8.685 8.510 0.175 19604 12965 1 19 . 1 1 106 106 ARG N N 106 118.484 118.484 118.623 -0.139 19604 12966 1 19 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.810 -0.102 19604 12967 1 19 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.839 0.191 19604 12968 1 19 . 1 1 106 106 ARG CB C 106 30.317 30.317 30.094 0.223 19604 12969 1 19 . 1 1 106 106 ARG H H 106 8.682 8.682 8.271 0.411 19604 12970 1 19 . 1 1 107 107 HIS N N 107 118.917 118.917 118.007 0.910 19604 12971 1 19 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.350 -0.054 19604 12972 1 19 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.261 0.581 19604 12973 1 19 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.586 0.990 19604 12974 1 19 . 1 1 107 107 HIS H H 107 7.803 7.803 7.543 0.260 19604 12975 1 19 . 1 1 108 108 VAL N N 108 119.662 119.662 120.000 -0.338 19604 12976 1 19 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.518 -0.060 19604 12977 1 19 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.609 -0.157 19604 12978 1 19 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.477 0.116 19604 12979 1 19 . 1 1 108 108 VAL H H 108 7.887 7.887 7.872 0.015 19604 12980 1 19 . 1 1 109 109 MET N N 109 115.981 115.981 119.353 -3.372 19604 12981 1 19 . 1 1 109 109 MET HA H 109 4.296 4.296 4.070 0.226 19604 12982 1 19 . 1 1 109 109 MET CA C 109 57.062 57.062 58.636 -1.574 19604 12983 1 19 . 1 1 109 109 MET H H 109 8.128 8.128 8.275 -0.147 19604 12984 1 19 . 1 1 110 110 THR N N 110 116.866 116.866 113.483 3.383 19604 12985 1 19 . 1 1 110 110 THR HA H 110 4.080 4.080 3.822 0.258 19604 12986 1 19 . 1 1 110 110 THR CA C 110 66.402 66.402 66.652 -0.250 19604 12987 1 19 . 1 1 110 110 THR CB C 110 68.574 68.574 68.152 0.422 19604 12988 1 19 . 1 1 110 110 THR H H 110 8.302 8.302 7.633 0.669 19604 12989 1 19 . 1 1 111 111 ASN N N 111 122.811 122.811 118.386 4.425 19604 12990 1 19 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.538 -0.093 19604 12991 1 19 . 1 1 111 111 ASN CA C 111 55.811 55.811 54.867 0.944 19604 12992 1 19 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.477 -0.502 19604 12993 1 19 . 1 1 111 111 ASN H H 111 7.849 7.849 7.577 0.272 19604 12994 1 19 . 1 1 112 112 LEU N N 112 118.869 118.869 119.276 -0.407 19604 12995 1 19 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.342 0.003 19604 12996 1 19 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.616 -0.525 19604 12997 1 19 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.679 -0.599 19604 12998 1 19 . 1 1 112 112 LEU H H 112 7.666 7.666 7.603 0.063 19604 12999 1 19 . 1 1 113 113 GLY N N 113 107.124 107.124 106.310 0.814 19604 13000 1 19 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.509 0.907 19604 13001 1 19 . 1 1 113 113 GLY H H 113 7.818 7.818 7.674 0.144 19604 13002 1 19 . 1 1 114 114 GLU N N 114 120.113 120.113 120.841 -0.728 19604 13003 1 19 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.594 -0.167 19604 13004 1 19 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.935 -0.340 19604 13005 1 19 . 1 1 114 114 GLU CB C 114 30.710 30.710 32.106 -1.397 19604 13006 1 19 . 1 1 114 114 GLU H H 114 7.895 7.895 7.757 0.138 19604 13007 1 19 . 1 1 115 115 LYS N N 115 124.920 124.920 124.924 -0.004 19604 13008 1 19 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.218 0.162 19604 13009 1 19 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.747 -1.354 19604 13010 1 19 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.818 -0.773 19604 13011 1 19 . 1 1 115 115 LYS H H 115 8.583 8.583 8.339 0.244 19604 13012 1 19 . 1 1 116 116 LEU N N 116 124.979 124.979 122.575 2.404 19604 13013 1 19 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.597 0.170 19604 13014 1 19 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.379 0.702 19604 13015 1 19 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.673 -1.141 19604 13016 1 19 . 1 1 116 116 LEU H H 116 8.082 8.082 8.198 -0.116 19604 13017 1 19 . 1 1 117 117 THR N N 117 114.448 114.448 111.522 2.926 19604 13018 1 19 . 1 1 117 117 THR HA H 117 4.452 4.452 4.551 -0.099 19604 13019 1 19 . 1 1 117 117 THR CA C 117 60.690 60.690 60.118 0.572 19604 13020 1 19 . 1 1 117 117 THR CB C 117 71.051 71.051 71.388 -0.337 19604 13021 1 19 . 1 1 117 117 THR H H 117 9.172 9.172 8.165 1.007 19604 13022 1 19 . 1 1 118 118 ASP N N 118 121.175 121.175 122.222 -1.047 19604 13023 1 19 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.295 -0.082 19604 13024 1 19 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.252 -0.260 19604 13025 1 19 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.784 -1.114 19604 13026 1 19 . 1 1 118 118 ASP H H 118 8.889 8.889 8.780 0.109 19604 13027 1 19 . 1 1 119 119 GLU N N 119 119.386 119.386 118.693 0.693 19604 13028 1 19 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.111 -0.023 19604 13029 1 19 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.771 1.242 19604 13030 1 19 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.562 -0.390 19604 13031 1 19 . 1 1 119 119 GLU H H 119 8.665 8.665 8.458 0.207 19604 13032 1 19 . 1 1 120 120 GLU N N 120 120.564 120.564 120.180 0.384 19604 13033 1 19 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.087 -0.105 19604 13034 1 19 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.101 0.151 19604 13035 1 19 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.474 1.286 19604 13036 1 19 . 1 1 120 120 GLU H H 120 7.715 7.715 7.522 0.193 19604 13037 1 19 . 1 1 121 121 VAL N N 121 120.955 120.955 118.564 2.391 19604 13038 1 19 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.706 -0.250 19604 13039 1 19 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.615 0.266 19604 13040 1 19 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.412 -0.082 19604 13041 1 19 . 1 1 121 121 VAL H H 121 8.050 8.050 8.297 -0.247 19604 13042 1 19 . 1 1 122 122 ASP N N 122 120.016 120.016 119.413 0.603 19604 13043 1 19 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.266 0.097 19604 13044 1 19 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.723 -0.009 19604 13045 1 19 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.707 -0.254 19604 13046 1 19 . 1 1 122 122 ASP H H 122 7.980 7.980 7.666 0.314 19604 13047 1 19 . 1 1 123 123 GLU N N 123 119.913 119.913 118.840 1.073 19604 13048 1 19 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.038 0.007 19604 13049 1 19 . 1 1 123 123 GLU CA C 123 59.305 59.305 58.802 0.503 19604 13050 1 19 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.310 -0.031 19604 13051 1 19 . 1 1 123 123 GLU H H 123 8.033 8.033 7.896 0.137 19604 13052 1 19 . 1 1 124 124 MET N N 124 119.642 119.642 118.613 1.029 19604 13053 1 19 . 1 1 124 124 MET HA H 124 4.175 4.175 4.165 0.010 19604 13054 1 19 . 1 1 124 124 MET CA C 124 60.420 60.420 59.296 1.124 19604 13055 1 19 . 1 1 124 124 MET CB C 124 33.408 33.408 32.889 0.519 19604 13056 1 19 . 1 1 124 124 MET H H 124 7.930 7.930 7.342 0.588 19604 13057 1 19 . 1 1 125 125 ILE N N 125 119.663 119.663 119.227 0.436 19604 13058 1 19 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.685 0.024 19604 13059 1 19 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.200 0.139 19604 13060 1 19 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.556 -0.221 19604 13061 1 19 . 1 1 125 125 ILE H H 125 8.147 8.147 8.004 0.143 19604 13062 1 19 . 1 1 126 126 ARG N N 126 118.998 118.998 118.954 0.044 19604 13063 1 19 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.942 0.130 19604 13064 1 19 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.461 0.367 19604 13065 1 19 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.228 0.103 19604 13066 1 19 . 1 1 126 126 ARG H H 126 8.431 8.431 8.367 0.064 19604 13067 1 19 . 1 1 127 127 GLU N N 127 116.058 116.058 118.505 -2.447 19604 13068 1 19 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.169 -0.185 19604 13069 1 19 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.500 0.305 19604 13070 1 19 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.799 0.007 19604 13071 1 19 . 1 1 127 127 GLU H H 127 7.899 7.899 7.693 0.206 19604 13072 1 19 . 1 1 128 128 ALA N N 128 117.702 117.702 119.604 -1.902 19604 13073 1 19 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.120 0.333 19604 13074 1 19 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.358 -1.638 19604 13075 1 19 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.286 3.100 19604 13076 1 19 . 1 1 128 128 ALA H H 128 7.222 7.222 7.484 -0.262 19604 13077 1 19 . 1 1 129 129 ASP N N 129 117.996 117.996 118.990 -0.994 19604 13078 1 19 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.863 -0.366 19604 13079 1 19 . 1 1 129 129 ASP CA C 129 54.336 54.336 53.967 0.369 19604 13080 1 19 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.697 0.985 19604 13081 1 19 . 1 1 129 129 ASP H H 129 7.947 7.947 8.050 -0.103 19604 13082 1 19 . 1 1 130 130 ILE N N 130 128.199 128.199 124.181 4.018 19604 13083 1 19 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.869 0.039 19604 13084 1 19 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.662 -0.229 19604 13085 1 19 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.631 0.107 19604 13086 1 19 . 1 1 130 130 ILE H H 130 8.399 8.399 7.701 0.698 19604 13087 1 19 . 1 1 131 131 ASP N N 131 116.628 116.628 117.656 -1.028 19604 13088 1 19 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.496 0.017 19604 13089 1 19 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.887 -0.059 19604 13090 1 19 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.363 -0.374 19604 13091 1 19 . 1 1 131 131 ASP H H 131 8.258 8.258 8.568 -0.310 19604 13092 1 19 . 1 1 132 132 GLY N N 132 108.616 108.616 108.510 0.106 19604 13093 1 19 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.033 1.494 19604 13094 1 19 . 1 1 132 132 GLY H H 132 7.559 7.559 7.688 -0.129 19604 13095 1 19 . 1 1 133 133 ASP N N 133 120.901 120.901 119.794 1.107 19604 13096 1 19 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.584 -0.106 19604 13097 1 19 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.581 0.072 19604 13098 1 19 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.410 -1.139 19604 13099 1 19 . 1 1 133 133 ASP H H 133 8.340 8.340 8.749 -0.409 19604 13100 1 19 . 1 1 134 134 GLY N N 134 112.918 112.918 109.021 3.897 19604 13101 1 19 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.970 0.898 19604 13102 1 19 . 1 1 134 134 GLY H H 134 10.366 10.366 8.820 1.546 19604 13103 1 19 . 1 1 135 135 GLN N N 135 115.297 115.297 117.920 -2.623 19604 13104 1 19 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.662 0.255 19604 13105 1 19 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.876 -1.649 19604 13106 1 19 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.478 -1.136 19604 13107 1 19 . 1 1 135 135 GLN H H 135 8.012 8.012 8.550 -0.538 19604 13108 1 19 . 1 1 136 136 VAL N N 136 125.463 125.463 122.221 3.242 19604 13109 1 19 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.065 0.153 19604 13110 1 19 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.636 1.027 19604 13111 1 19 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.578 1.180 19604 13112 1 19 . 1 1 136 136 VAL H H 136 9.133 9.133 8.718 0.415 19604 13113 1 19 . 1 1 137 137 ASN N N 137 129.402 129.402 126.199 3.203 19604 13114 1 19 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.775 0.524 19604 13115 1 19 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.814 0.212 19604 13116 1 19 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.405 -1.120 19604 13117 1 19 . 1 1 137 137 ASN H H 137 9.634 9.634 8.289 1.345 19604 13118 1 19 . 1 1 138 138 TYR N N 138 118.585 118.585 121.378 -2.793 19604 13119 1 19 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.833 -0.491 19604 13120 1 19 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.301 -0.784 19604 13121 1 19 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.525 -0.829 19604 13122 1 19 . 1 1 138 138 TYR H H 138 8.400 8.400 8.678 -0.278 19604 13123 1 19 . 1 1 139 139 GLU N N 139 118.692 118.692 118.974 -0.282 19604 13124 1 19 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.826 -0.208 19604 13125 1 19 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.903 0.411 19604 13126 1 19 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.132 -0.132 19604 13127 1 19 . 1 1 139 139 GLU H H 139 8.095 8.095 8.841 -0.746 19604 13128 1 19 . 1 1 140 140 GLU N N 140 119.980 119.980 118.910 1.070 19604 13129 1 19 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.123 -0.218 19604 13130 1 19 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.714 -0.182 19604 13131 1 19 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.824 -0.117 19604 13132 1 19 . 1 1 140 140 GLU H H 140 8.759 8.759 8.440 0.319 19604 13133 1 19 . 1 1 141 141 PHE N N 141 123.408 123.408 121.873 1.535 19604 13134 1 19 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.188 -0.457 19604 13135 1 19 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.529 0.454 19604 13136 1 19 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.410 0.763 19604 13137 1 19 . 1 1 141 141 PHE H H 141 8.639 8.639 8.552 0.087 19604 13138 1 19 . 1 1 142 142 VAL N N 142 119.839 119.839 119.238 0.601 19604 13139 1 19 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.472 -0.428 19604 13140 1 19 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.165 0.953 19604 13141 1 19 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.641 0.874 19604 13142 1 19 . 1 1 142 142 VAL H H 142 8.781 8.781 8.642 0.139 19604 13143 1 19 . 1 1 143 143 GLN N N 143 118.240 118.240 119.094 -0.854 19604 13144 1 19 . 1 1 143 143 GLN HA H 143 3.802 3.802 4.035 -0.233 19604 13145 1 19 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.670 0.147 19604 13146 1 19 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.700 -0.525 19604 13147 1 19 . 1 1 143 143 GLN H H 143 7.491 7.491 7.442 0.049 19604 13148 1 19 . 1 1 144 144 MET N N 144 116.028 116.028 118.781 -2.753 19604 13149 1 19 . 1 1 144 144 MET HA H 144 4.145 4.145 4.125 0.020 19604 13150 1 19 . 1 1 144 144 MET CA C 144 55.939 55.939 57.303 -1.364 19604 13151 1 19 . 1 1 144 144 MET CB C 144 31.345 31.345 32.500 -1.155 19604 13152 1 19 . 1 1 144 144 MET H H 144 7.176 7.176 7.957 -0.780 19604 13153 1 19 . 1 1 145 145 MET N N 145 116.272 116.272 116.783 -0.511 19604 13154 1 19 . 1 1 145 145 MET HA H 145 4.301 4.301 4.191 0.110 19604 13155 1 19 . 1 1 145 145 MET CA C 145 55.416 55.416 57.174 -1.758 19604 13156 1 19 . 1 1 145 145 MET CB C 145 32.831 32.831 33.207 -0.376 19604 13157 1 19 . 1 1 145 145 MET H H 145 7.831 7.831 7.610 0.221 19604 13158 1 19 . 1 1 146 146 THR N N 146 110.389 110.389 114.250 -3.861 19604 13159 1 19 . 1 1 146 146 THR HA H 146 4.308 4.308 4.189 0.119 19604 13160 1 19 . 1 1 146 146 THR CA C 146 61.942 61.942 63.990 -2.049 19604 13161 1 19 . 1 1 146 146 THR CB C 146 70.244 70.244 69.108 1.136 19604 13162 1 19 . 1 1 146 146 THR H H 146 7.474 7.474 7.382 0.092 19604 13163 1 19 . 1 1 147 147 ALA N N 147 126.864 126.864 125.574 1.290 19604 13164 1 19 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.125 0.083 19604 13165 1 19 . 1 1 147 147 ALA CA C 147 52.998 52.998 53.060 -0.062 19604 13166 1 19 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.252 -0.136 19604 13167 1 19 . 1 1 147 147 ALA H H 147 7.622 7.622 7.511 0.111 19604 13168 1 20 . 1 1 2 2 ASP HA H 2 4.640 4.640 4.536 0.104 19604 13169 1 20 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.382 0.231 19604 13170 1 20 . 1 1 2 2 ASP CB C 2 41.351 41.351 40.632 0.719 19604 13171 1 20 . 1 1 3 3 GLN N N 3 120.300 120.300 120.100 0.200 19604 13172 1 20 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.060 0.313 19604 13173 1 20 . 1 1 3 3 GLN CA C 3 55.498 55.498 57.654 -2.156 19604 13174 1 20 . 1 1 3 3 GLN CB C 3 29.778 29.778 28.969 0.809 19604 13175 1 20 . 1 1 3 3 GLN H H 3 8.388 8.388 8.223 0.165 19604 13176 1 20 . 1 1 4 4 LEU N N 4 123.525 123.525 120.695 2.830 19604 13177 1 20 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.398 0.289 19604 13178 1 20 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.666 -0.307 19604 13179 1 20 . 1 1 4 4 LEU CB C 4 43.653 43.653 41.151 2.502 19604 13180 1 20 . 1 1 4 4 LEU H H 4 8.299 8.299 7.885 0.414 19604 13181 1 20 . 1 1 5 5 THR N N 5 113.299 113.299 116.488 -3.189 19604 13182 1 20 . 1 1 5 5 THR HA H 5 4.476 4.476 4.612 -0.136 19604 13183 1 20 . 1 1 5 5 THR CA C 5 60.463 60.463 60.239 0.224 19604 13184 1 20 . 1 1 5 5 THR CB C 5 71.250 71.250 71.249 0.001 19604 13185 1 20 . 1 1 5 5 THR H H 5 8.651 8.651 8.010 0.641 19604 13186 1 20 . 1 1 6 6 GLU N N 6 120.620 120.620 121.798 -1.178 19604 13187 1 20 . 1 1 6 6 GLU HA H 6 3.975 3.975 3.971 0.004 19604 13188 1 20 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.254 -0.319 19604 13189 1 20 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.308 -0.109 19604 13190 1 20 . 1 1 6 6 GLU H H 6 9.014 9.014 8.938 0.076 19604 13191 1 20 . 1 1 7 7 GLU N N 7 119.586 119.586 117.506 2.080 19604 13192 1 20 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.030 0.038 19604 13193 1 20 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.062 0.881 19604 13194 1 20 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.214 -0.136 19604 13195 1 20 . 1 1 7 7 GLU H H 7 8.713 8.713 8.584 0.129 19604 13196 1 20 . 1 1 8 8 GLN N N 8 120.413 120.413 119.261 1.152 19604 13197 1 20 . 1 1 8 8 GLN HA H 8 3.825 3.825 3.993 -0.168 19604 13198 1 20 . 1 1 8 8 GLN CA C 8 58.775 58.775 57.982 0.793 19604 13199 1 20 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.572 0.888 19604 13200 1 20 . 1 1 8 8 GLN H H 8 7.719 7.719 7.419 0.300 19604 13201 1 20 . 1 1 9 9 ILE N N 9 119.362 119.362 120.770 -1.408 19604 13202 1 20 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.882 -0.214 19604 13203 1 20 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.204 1.031 19604 13204 1 20 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.883 -0.062 19604 13205 1 20 . 1 1 9 9 ILE H H 9 8.267 8.267 8.699 -0.432 19604 13206 1 20 . 1 1 10 10 ALA N N 10 121.321 121.321 121.072 0.249 19604 13207 1 20 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.947 0.171 19604 13208 1 20 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.457 -0.060 19604 13209 1 20 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.950 -0.153 19604 13210 1 20 . 1 1 10 10 ALA H H 10 8.023 8.023 8.395 -0.372 19604 13211 1 20 . 1 1 11 11 GLU N N 11 119.865 119.865 118.888 0.977 19604 13212 1 20 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.103 0.038 19604 13213 1 20 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.801 0.610 19604 13214 1 20 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.360 -0.152 19604 13215 1 20 . 1 1 11 11 GLU H H 11 7.761 7.761 7.518 0.243 19604 13216 1 20 . 1 1 12 12 PHE N N 12 119.971 119.971 119.344 0.627 19604 13217 1 20 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.342 0.681 19604 13218 1 20 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.377 -1.665 19604 13219 1 20 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.386 -0.869 19604 13220 1 20 . 1 1 12 12 PHE H H 12 8.479 8.479 7.472 1.007 19604 13221 1 20 . 1 1 13 13 LYS N N 13 123.604 123.604 119.270 4.334 19604 13222 1 20 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.144 -0.170 19604 13223 1 20 . 1 1 13 13 LYS CA C 13 59.956 59.956 59.816 0.140 19604 13224 1 20 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.090 -0.312 19604 13225 1 20 . 1 1 13 13 LYS H H 13 9.222 9.222 8.858 0.364 19604 13226 1 20 . 1 1 14 14 GLU N N 14 120.976 120.976 118.368 2.608 19604 13227 1 20 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.147 -0.034 19604 13228 1 20 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.146 0.416 19604 13229 1 20 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.515 -0.100 19604 13230 1 20 . 1 1 14 14 GLU H H 14 7.924 7.924 7.746 0.178 19604 13231 1 20 . 1 1 15 15 ALA N N 15 122.303 122.303 122.026 0.277 19604 13232 1 20 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.144 0.180 19604 13233 1 20 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.883 0.255 19604 13234 1 20 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.254 -0.252 19604 13235 1 20 . 1 1 15 15 ALA H H 15 7.990 7.990 7.753 0.237 19604 13236 1 20 . 1 1 16 16 PHE N N 16 119.011 119.011 119.470 -0.459 19604 13237 1 20 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.648 -0.378 19604 13238 1 20 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.752 1.236 19604 13239 1 20 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.163 0.743 19604 13240 1 20 . 1 1 16 16 PHE H H 16 8.666 8.666 7.786 0.880 19604 13241 1 20 . 1 1 17 17 SER N N 17 113.988 113.988 114.279 -0.291 19604 13242 1 20 . 1 1 17 17 SER HA H 17 4.086 4.086 4.054 0.032 19604 13243 1 20 . 1 1 17 17 SER CA C 17 61.532 61.532 61.229 0.303 19604 13244 1 20 . 1 1 17 17 SER CB C 17 62.921 62.921 63.203 -0.282 19604 13245 1 20 . 1 1 17 17 SER H H 17 8.202 8.202 7.947 0.255 19604 13246 1 20 . 1 1 18 18 LEU N N 18 120.913 120.913 120.446 0.467 19604 13247 1 20 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.015 -0.065 19604 13248 1 20 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.066 0.421 19604 13249 1 20 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.881 -0.358 19604 13250 1 20 . 1 1 18 18 LEU H H 18 7.280 7.280 7.297 -0.017 19604 13251 1 20 . 1 1 19 19 PHE N N 19 113.613 113.613 114.876 -1.263 19604 13252 1 20 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.220 -0.188 19604 13253 1 20 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.779 -0.373 19604 13254 1 20 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.320 2.237 19604 13255 1 20 . 1 1 19 19 PHE H H 19 7.070 7.070 7.241 -0.171 19604 13256 1 20 . 1 1 20 20 ASP N N 20 117.393 117.393 119.284 -1.891 19604 13257 1 20 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.471 0.122 19604 13258 1 20 . 1 1 20 20 ASP CA C 20 52.468 52.468 54.045 -1.577 19604 13259 1 20 . 1 1 20 20 ASP CB C 20 39.296 39.296 39.981 -0.685 19604 13260 1 20 . 1 1 20 20 ASP H H 20 7.790 7.790 7.521 0.269 19604 13261 1 20 . 1 1 21 21 LYS N N 21 124.292 124.292 124.199 0.093 19604 13262 1 20 . 1 1 21 21 LYS HA H 21 3.978 3.978 3.989 -0.011 19604 13263 1 20 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.258 0.062 19604 13264 1 20 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.709 -0.036 19604 13265 1 20 . 1 1 21 21 LYS H H 21 7.707 7.707 8.204 -0.497 19604 13266 1 20 . 1 1 22 22 ASP N N 22 114.139 114.139 116.152 -2.013 19604 13267 1 20 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.506 0.074 19604 13268 1 20 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.994 -1.203 19604 13269 1 20 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.485 -0.920 19604 13270 1 20 . 1 1 22 22 ASP H H 22 8.025 8.025 7.860 0.165 19604 13271 1 20 . 1 1 23 23 GLY N N 23 109.378 109.378 108.434 0.944 19604 13272 1 20 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.314 0.902 19604 13273 1 20 . 1 1 23 23 GLY H H 23 7.661 7.661 8.257 -0.596 19604 13274 1 20 . 1 1 24 24 ASP N N 24 121.022 121.022 119.861 1.161 19604 13275 1 20 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.504 0.011 19604 13276 1 20 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.572 0.106 19604 13277 1 20 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.628 -1.125 19604 13278 1 20 . 1 1 24 24 ASP H H 24 8.466 8.466 8.333 0.133 19604 13279 1 20 . 1 1 25 25 GLY N N 25 112.810 112.810 109.322 3.488 19604 13280 1 20 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.326 0.020 19604 13281 1 20 . 1 1 25 25 GLY H H 25 10.507 10.507 9.282 1.225 19604 13282 1 20 . 1 1 26 26 THR N N 26 112.094 112.094 113.570 -1.476 19604 13283 1 20 . 1 1 26 26 THR HA H 26 5.431 5.431 5.473 -0.042 19604 13284 1 20 . 1 1 26 26 THR CA C 26 59.576 59.576 60.090 -0.514 19604 13285 1 20 . 1 1 26 26 THR CB C 26 72.730 72.730 71.466 1.264 19604 13286 1 20 . 1 1 26 26 THR H H 26 8.191 8.191 8.335 -0.144 19604 13287 1 20 . 1 1 27 27 ILE N N 27 126.447 126.447 126.636 -0.189 19604 13288 1 20 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.257 0.510 19604 13289 1 20 . 1 1 27 27 ILE CA C 27 61.130 61.130 61.182 -0.052 19604 13290 1 20 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.216 1.772 19604 13291 1 20 . 1 1 27 27 ILE H H 27 9.845 9.845 8.873 0.972 19604 13292 1 20 . 1 1 28 28 THR N N 28 116.315 116.315 117.388 -1.073 19604 13293 1 20 . 1 1 28 28 THR HA H 28 4.894 4.894 4.855 0.039 19604 13294 1 20 . 1 1 28 28 THR CA C 28 59.217 59.217 59.794 -0.577 19604 13295 1 20 . 1 1 28 28 THR CB C 28 72.480 72.480 71.428 1.052 19604 13296 1 20 . 1 1 28 28 THR H H 28 8.322 8.322 8.386 -0.064 19604 13297 1 20 . 1 1 29 29 THR N N 29 112.270 112.270 113.354 -1.084 19604 13298 1 20 . 1 1 29 29 THR HA H 29 3.790 3.790 4.045 -0.255 19604 13299 1 20 . 1 1 29 29 THR CA C 29 66.207 66.207 66.577 -0.370 19604 13300 1 20 . 1 1 29 29 THR CB C 29 67.737 67.737 68.638 -0.901 19604 13301 1 20 . 1 1 29 29 THR H H 29 9.251 9.251 8.786 0.465 19604 13302 1 20 . 1 1 30 30 LYS N N 30 121.127 121.127 120.959 0.168 19604 13303 1 20 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.017 0.101 19604 13304 1 20 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.798 -0.541 19604 13305 1 20 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.128 0.405 19604 13306 1 20 . 1 1 30 30 LYS H H 30 7.569 7.569 8.323 -0.754 19604 13307 1 20 . 1 1 31 31 GLU N N 31 121.876 121.876 119.601 2.275 19604 13308 1 20 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.076 -0.060 19604 13309 1 20 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.082 0.375 19604 13310 1 20 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.623 -0.073 19604 13311 1 20 . 1 1 31 31 GLU H H 31 7.715 7.715 7.659 0.056 19604 13312 1 20 . 1 1 32 32 LEU N N 32 120.674 120.674 121.243 -0.569 19604 13313 1 20 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.229 -0.035 19604 13314 1 20 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.799 0.388 19604 13315 1 20 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.525 0.631 19604 13316 1 20 . 1 1 32 32 LEU H H 32 8.592 8.592 8.100 0.492 19604 13317 1 20 . 1 1 33 33 GLY N N 33 106.859 106.859 105.166 1.693 19604 13318 1 20 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.093 1.134 19604 13319 1 20 . 1 1 33 33 GLY H H 33 8.861 8.861 8.287 0.574 19604 13320 1 20 . 1 1 34 34 THR N N 34 118.512 118.512 119.504 -0.992 19604 13321 1 20 . 1 1 34 34 THR HA H 34 3.935 3.935 3.951 -0.016 19604 13322 1 20 . 1 1 34 34 THR CA C 34 66.964 66.964 66.949 0.015 19604 13323 1 20 . 1 1 34 34 THR CB C 34 68.610 68.610 68.783 -0.173 19604 13324 1 20 . 1 1 34 34 THR H H 34 7.965 7.965 7.606 0.359 19604 13325 1 20 . 1 1 35 35 VAL N N 35 122.456 122.456 120.909 1.547 19604 13326 1 20 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.556 0.015 19604 13327 1 20 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.791 -0.232 19604 13328 1 20 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.432 0.099 19604 13329 1 20 . 1 1 35 35 VAL H H 35 7.532 7.532 7.521 0.011 19604 13330 1 20 . 1 1 36 36 MET N N 36 118.015 118.015 117.823 0.192 19604 13331 1 20 . 1 1 36 36 MET HA H 36 3.899 3.899 4.128 -0.229 19604 13332 1 20 . 1 1 36 36 MET CA C 36 60.156 60.156 59.273 0.882 19604 13333 1 20 . 1 1 36 36 MET CB C 36 31.731 31.731 32.257 -0.526 19604 13334 1 20 . 1 1 36 36 MET H H 36 8.525 8.525 7.745 0.780 19604 13335 1 20 . 1 1 37 37 ARG N N 37 119.604 119.604 119.235 0.369 19604 13336 1 20 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.080 0.701 19604 13337 1 20 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.658 -0.402 19604 13338 1 20 . 1 1 37 37 ARG CB C 37 29.613 29.613 30.114 -0.501 19604 13339 1 20 . 1 1 37 37 ARG H H 37 8.579 8.579 7.913 0.666 19604 13340 1 20 . 1 1 38 38 SER N N 38 119.543 119.543 113.857 5.686 19604 13341 1 20 . 1 1 38 38 SER HA H 38 4.396 4.396 4.267 0.129 19604 13342 1 20 . 1 1 38 38 SER CA C 38 61.758 61.758 61.001 0.757 19604 13343 1 20 . 1 1 38 38 SER CB C 38 62.691 62.691 62.545 0.146 19604 13344 1 20 . 1 1 38 38 SER H H 38 7.939 7.939 7.748 0.191 19604 13345 1 20 . 1 1 39 39 LEU N N 39 120.454 120.454 120.589 -0.135 19604 13346 1 20 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.486 -0.045 19604 13347 1 20 . 1 1 39 39 LEU CA C 39 54.616 54.616 54.990 -0.374 19604 13348 1 20 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.300 -0.169 19604 13349 1 20 . 1 1 39 39 LEU H H 39 7.394 7.394 7.505 -0.111 19604 13350 1 20 . 1 1 40 40 GLY N N 40 107.378 107.378 106.380 0.998 19604 13351 1 20 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.581 1.034 19604 13352 1 20 . 1 1 40 40 GLY H H 40 7.897 7.897 7.881 0.016 19604 13353 1 20 . 1 1 41 41 GLN N N 41 118.330 118.330 119.876 -1.546 19604 13354 1 20 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.531 -0.030 19604 13355 1 20 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.420 -0.103 19604 13356 1 20 . 1 1 41 41 GLN CB C 41 30.494 30.494 30.961 -0.467 19604 13357 1 20 . 1 1 41 41 GLN H H 41 7.883 7.883 8.244 -0.361 19604 13358 1 20 . 1 1 42 42 ASN N N 42 116.488 116.488 123.100 -6.612 19604 13359 1 20 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.058 0.154 19604 13360 1 20 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.686 1.442 19604 13361 1 20 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.678 0.493 19604 13362 1 20 . 1 1 42 42 ASN H H 42 8.697 8.697 8.742 -0.045 19604 13363 1 20 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.903 -0.119 19604 13364 1 20 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.777 -0.455 19604 13365 1 20 . 1 1 43 43 PRO CB C 43 32.278 32.278 33.344 -1.066 19604 13366 1 20 . 1 1 44 44 THR N N 44 112.452 112.452 110.641 1.811 19604 13367 1 20 . 1 1 44 44 THR HA H 44 4.461 4.461 4.574 -0.113 19604 13368 1 20 . 1 1 44 44 THR CA C 44 60.411 60.411 59.982 0.429 19604 13369 1 20 . 1 1 44 44 THR CB C 44 71.068 71.068 72.240 -1.172 19604 13370 1 20 . 1 1 44 44 THR H H 44 8.678 8.678 8.086 0.592 19604 13371 1 20 . 1 1 45 45 GLU N N 45 120.954 120.954 125.111 -4.157 19604 13372 1 20 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.921 0.089 19604 13373 1 20 . 1 1 45 45 GLU CA C 45 59.883 59.883 59.514 0.369 19604 13374 1 20 . 1 1 45 45 GLU H H 45 8.803 8.803 9.103 -0.300 19604 13375 1 20 . 1 1 46 46 ALA N N 46 120.643 120.643 120.181 0.462 19604 13376 1 20 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.230 -0.113 19604 13377 1 20 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.502 0.511 19604 13378 1 20 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.270 -0.097 19604 13379 1 20 . 1 1 46 46 ALA H H 46 8.272 8.272 8.243 0.029 19604 13380 1 20 . 1 1 47 47 GLU N N 47 119.059 119.059 120.158 -1.099 19604 13381 1 20 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.096 -0.061 19604 13382 1 20 . 1 1 47 47 GLU CA C 47 59.163 59.163 58.943 0.220 19604 13383 1 20 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.766 0.160 19604 13384 1 20 . 1 1 47 47 GLU H H 47 7.686 7.686 7.612 0.074 19604 13385 1 20 . 1 1 48 48 LEU N N 48 119.848 119.848 119.848 0.000 19604 13386 1 20 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.986 0.039 19604 13387 1 20 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.020 -0.179 19604 13388 1 20 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.786 0.644 19604 13389 1 20 . 1 1 48 48 LEU H H 48 8.036 8.036 8.662 -0.626 19604 13390 1 20 . 1 1 49 49 GLN N N 49 118.226 118.226 117.664 0.562 19604 13391 1 20 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.944 -0.141 19604 13392 1 20 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.792 -0.231 19604 13393 1 20 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.919 0.323 19604 13394 1 20 . 1 1 49 49 GLN H H 49 8.323 8.323 7.868 0.455 19604 13395 1 20 . 1 1 50 50 ASP N N 50 119.928 119.928 119.924 0.004 19604 13396 1 20 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.448 -0.050 19604 13397 1 20 . 1 1 50 50 ASP CA C 50 57.609 57.609 56.915 0.694 19604 13398 1 20 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.972 -0.339 19604 13399 1 20 . 1 1 50 50 ASP H H 50 8.147 8.147 7.552 0.595 19604 13400 1 20 . 1 1 51 51 MET N N 51 117.796 117.796 119.578 -1.782 19604 13401 1 20 . 1 1 51 51 MET HA H 51 4.050 4.050 4.008 0.042 19604 13402 1 20 . 1 1 51 51 MET CA C 51 59.555 59.555 59.591 -0.036 19604 13403 1 20 . 1 1 51 51 MET CB C 51 32.846 32.846 32.852 -0.007 19604 13404 1 20 . 1 1 51 51 MET H H 51 7.814 7.814 8.012 -0.198 19604 13405 1 20 . 1 1 52 52 ILE N N 52 118.474 118.474 117.832 0.642 19604 13406 1 20 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.599 0.000 19604 13407 1 20 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.814 -0.708 19604 13408 1 20 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.433 -0.374 19604 13409 1 20 . 1 1 52 52 ILE H H 52 7.685 7.685 8.364 -0.679 19604 13410 1 20 . 1 1 53 53 ASN N N 53 118.591 118.591 116.627 1.964 19604 13411 1 20 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.577 -0.160 19604 13412 1 20 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.155 0.750 19604 13413 1 20 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.055 -0.064 19604 13414 1 20 . 1 1 53 53 ASN H H 53 8.786 8.786 7.900 0.886 19604 13415 1 20 . 1 1 54 54 GLU N N 54 115.327 115.327 119.893 -4.566 19604 13416 1 20 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.145 -0.097 19604 13417 1 20 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.846 0.231 19604 13418 1 20 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.845 1.080 19604 13419 1 20 . 1 1 54 54 GLU H H 54 7.368 7.368 7.958 -0.590 19604 13420 1 20 . 1 1 55 55 VAL N N 55 111.285 111.285 111.653 -0.368 19604 13421 1 20 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.417 -0.190 19604 13422 1 20 . 1 1 55 55 VAL CA C 55 60.832 60.832 59.936 0.896 19604 13423 1 20 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.356 1.960 19604 13424 1 20 . 1 1 55 55 VAL H H 55 7.133 7.133 7.344 -0.211 19604 13425 1 20 . 1 1 56 56 ASP N N 56 121.291 121.291 121.907 -0.616 19604 13426 1 20 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.951 -0.483 19604 13427 1 20 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.387 0.313 19604 13428 1 20 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.341 0.242 19604 13429 1 20 . 1 1 56 56 ASP H H 56 7.567 7.567 7.425 0.142 19604 13430 1 20 . 1 1 57 57 ALA N N 57 131.432 131.432 130.212 1.220 19604 13431 1 20 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.169 0.060 19604 13432 1 20 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.760 0.595 19604 13433 1 20 . 1 1 57 57 ALA CB C 57 19.695 19.695 20.015 -0.320 19604 13434 1 20 . 1 1 57 57 ALA H H 57 8.064 8.064 8.794 -0.730 19604 13435 1 20 . 1 1 58 58 ASP N N 58 114.063 114.063 116.315 -2.252 19604 13436 1 20 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.596 0.041 19604 13437 1 20 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.609 -0.841 19604 13438 1 20 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.854 -1.006 19604 13439 1 20 . 1 1 58 58 ASP H H 58 8.211 8.211 8.157 0.054 19604 13440 1 20 . 1 1 59 59 GLY N N 59 108.646 108.646 109.494 -0.848 19604 13441 1 20 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.975 1.225 19604 13442 1 20 . 1 1 59 59 GLY H H 59 7.584 7.584 7.978 -0.394 19604 13443 1 20 . 1 1 60 60 ASN N N 60 118.886 118.886 118.782 0.104 19604 13444 1 20 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.744 -0.124 19604 13445 1 20 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.305 0.372 19604 13446 1 20 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.694 -2.115 19604 13447 1 20 . 1 1 60 60 ASN H H 60 8.162 8.162 8.513 -0.351 19604 13448 1 20 . 1 1 61 61 GLY N N 61 113.458 113.458 110.085 3.373 19604 13449 1 20 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.465 0.174 19604 13450 1 20 . 1 1 61 61 GLY H H 61 10.568 10.568 9.219 1.349 19604 13451 1 20 . 1 1 62 62 THR N N 62 108.490 108.490 110.186 -1.696 19604 13452 1 20 . 1 1 62 62 THR HA H 62 4.800 4.800 5.220 -0.420 19604 13453 1 20 . 1 1 62 62 THR CA C 62 59.327 59.327 59.961 -0.634 19604 13454 1 20 . 1 1 62 62 THR CB C 62 72.409 72.409 72.333 0.076 19604 13455 1 20 . 1 1 62 62 THR H H 62 7.643 7.643 8.347 -0.704 19604 13456 1 20 . 1 1 63 63 ILE N N 63 123.350 123.350 123.030 0.320 19604 13457 1 20 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.768 0.446 19604 13458 1 20 . 1 1 63 63 ILE CA C 63 59.051 59.051 58.587 0.464 19604 13459 1 20 . 1 1 63 63 ILE CB C 63 39.605 39.605 37.230 2.375 19604 13460 1 20 . 1 1 63 63 ILE H H 63 8.544 8.544 8.450 0.094 19604 13461 1 20 . 1 1 64 64 ASP N N 64 128.480 128.480 128.630 -0.150 19604 13462 1 20 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.081 0.426 19604 13463 1 20 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.485 -1.500 19604 13464 1 20 . 1 1 64 64 ASP CB C 64 42.203 42.203 41.641 0.562 19604 13465 1 20 . 1 1 64 64 ASP H H 64 8.902 8.902 8.048 0.854 19604 13466 1 20 . 1 1 65 65 PHE N N 65 118.622 118.622 120.256 -1.634 19604 13467 1 20 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.320 0.659 19604 13468 1 20 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.470 1.615 19604 13469 1 20 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.710 -0.808 19604 13470 1 20 . 1 1 65 65 PHE H H 65 8.967 8.967 8.746 0.221 19604 13471 1 20 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.635 0.253 19604 13472 1 20 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.840 2.010 19604 13473 1 20 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.701 0.099 19604 13474 1 20 . 1 1 67 67 GLU N N 67 118.243 118.243 118.686 -0.443 19604 13475 1 20 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.901 0.064 19604 13476 1 20 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.797 -0.752 19604 13477 1 20 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.884 0.990 19604 13478 1 20 . 1 1 67 67 GLU H H 67 8.420 8.420 8.241 0.179 19604 13479 1 20 . 1 1 68 68 PHE N N 68 124.020 124.020 119.352 4.668 19604 13480 1 20 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.297 -0.512 19604 13481 1 20 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.767 0.720 19604 13482 1 20 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.472 1.310 19604 13483 1 20 . 1 1 68 68 PHE H H 68 8.638 8.638 7.437 1.201 19604 13484 1 20 . 1 1 69 69 LEU N N 69 120.062 120.062 120.419 -0.357 19604 13485 1 20 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.928 -0.560 19604 13486 1 20 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.783 0.071 19604 13487 1 20 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.425 -0.040 19604 13488 1 20 . 1 1 69 69 LEU H H 69 8.972 8.972 7.333 1.639 19604 13489 1 20 . 1 1 70 70 THR N N 70 115.488 115.488 114.339 1.149 19604 13490 1 20 . 1 1 70 70 THR HA H 70 3.697 3.697 3.792 -0.095 19604 13491 1 20 . 1 1 70 70 THR CA C 70 66.558 66.558 66.028 0.530 19604 13492 1 20 . 1 1 70 70 THR CB C 70 68.396 68.396 68.568 -0.172 19604 13493 1 20 . 1 1 70 70 THR H H 70 7.855 7.855 8.395 -0.540 19604 13494 1 20 . 1 1 71 71 MET N N 71 119.627 119.627 119.689 -0.062 19604 13495 1 20 . 1 1 71 71 MET HA H 71 3.757 3.757 4.089 -0.332 19604 13496 1 20 . 1 1 71 71 MET CA C 71 58.334 58.334 58.706 -0.372 19604 13497 1 20 . 1 1 71 71 MET CB C 71 30.736 30.736 32.287 -1.551 19604 13498 1 20 . 1 1 71 71 MET H H 71 7.155 7.155 7.279 -0.124 19604 13499 1 20 . 1 1 72 72 MET N N 72 116.046 116.046 116.300 -0.254 19604 13500 1 20 . 1 1 72 72 MET HA H 72 3.977 3.977 4.205 -0.228 19604 13501 1 20 . 1 1 72 72 MET CA C 72 55.138 55.138 57.686 -2.548 19604 13502 1 20 . 1 1 72 72 MET CB C 72 29.103 29.103 32.777 -3.674 19604 13503 1 20 . 1 1 72 72 MET H H 72 7.646 7.646 7.407 0.239 19604 13504 1 20 . 1 1 73 73 ALA N N 73 120.685 120.685 122.488 -1.803 19604 13505 1 20 . 1 1 73 73 ALA HA H 73 4.182 4.182 3.960 0.222 19604 13506 1 20 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.745 -1.645 19604 13507 1 20 . 1 1 73 73 ALA CB C 73 19.292 19.292 17.982 1.310 19604 13508 1 20 . 1 1 73 73 ALA H H 73 8.080 8.080 8.537 -0.457 19604 13509 1 20 . 1 1 74 74 ARG N N 74 118.501 118.501 117.063 1.438 19604 13510 1 20 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.971 0.217 19604 13511 1 20 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.420 -1.443 19604 13512 1 20 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.826 0.691 19604 13513 1 20 . 1 1 74 74 ARG H H 74 7.367 7.367 7.627 -0.260 19604 13514 1 20 . 1 1 76 76 MET HA H 76 4.413 4.413 4.206 0.207 19604 13515 1 20 . 1 1 76 76 MET CA C 76 55.804 55.804 57.108 -1.304 19604 13516 1 20 . 1 1 76 76 MET CB C 76 33.291 33.291 33.266 0.025 19604 13517 1 20 . 1 1 77 77 LYS N N 77 121.563 121.563 120.329 1.234 19604 13518 1 20 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.071 0.250 19604 13519 1 20 . 1 1 77 77 LYS CA C 77 56.418 56.418 57.322 -0.904 19604 13520 1 20 . 1 1 77 77 LYS CB C 77 33.251 33.251 32.169 1.082 19604 13521 1 20 . 1 1 77 77 LYS H H 77 8.253 8.253 7.553 0.700 19604 13522 1 20 . 1 1 78 78 ASP N N 78 121.953 121.953 123.417 -1.464 19604 13523 1 20 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.793 -0.175 19604 13524 1 20 . 1 1 78 78 ASP CA C 78 54.855 54.855 53.232 1.623 19604 13525 1 20 . 1 1 78 78 ASP CB C 78 41.116 41.116 44.004 -2.888 19604 13526 1 20 . 1 1 78 78 ASP H H 78 8.362 8.362 8.308 0.054 19604 13527 1 20 . 1 1 79 79 THR N N 79 113.276 113.276 114.832 -1.556 19604 13528 1 20 . 1 1 79 79 THR HA H 79 4.305 4.305 4.447 -0.142 19604 13529 1 20 . 1 1 79 79 THR CA C 79 62.124 62.124 63.624 -1.500 19604 13530 1 20 . 1 1 79 79 THR CB C 79 69.634 69.634 69.567 0.068 19604 13531 1 20 . 1 1 79 79 THR H H 79 8.014 8.014 8.300 -0.286 19604 13532 1 20 . 1 1 80 80 ASP N N 80 122.850 122.850 122.516 0.334 19604 13533 1 20 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.414 0.261 19604 13534 1 20 . 1 1 80 80 ASP CA C 80 54.655 54.655 56.876 -2.221 19604 13535 1 20 . 1 1 80 80 ASP CB C 80 41.424 41.424 40.675 0.749 19604 13536 1 20 . 1 1 80 80 ASP H H 80 8.316 8.316 8.291 0.025 19604 13537 1 20 . 1 1 81 81 SER N N 81 116.864 116.864 115.845 1.019 19604 13538 1 20 . 1 1 81 81 SER HA H 81 4.429 4.429 4.148 0.281 19604 13539 1 20 . 1 1 81 81 SER CA C 81 59.337 59.337 61.098 -1.761 19604 13540 1 20 . 1 1 81 81 SER CB C 81 63.672 63.672 63.086 0.586 19604 13541 1 20 . 1 1 81 81 SER H H 81 8.391 8.391 8.009 0.382 19604 13542 1 20 . 1 1 82 82 GLU N N 82 122.561 122.561 120.529 2.032 19604 13543 1 20 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.009 0.064 19604 13544 1 20 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.533 -0.354 19604 13545 1 20 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.562 -0.050 19604 13546 1 20 . 1 1 82 82 GLU H H 82 8.479 8.479 7.805 0.674 19604 13547 1 20 . 1 1 83 83 GLU N N 83 119.348 119.348 119.031 0.317 19604 13548 1 20 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.042 0.002 19604 13549 1 20 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.753 -0.106 19604 13550 1 20 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.423 0.108 19604 13551 1 20 . 1 1 83 83 GLU H H 83 8.279 8.279 7.880 0.399 19604 13552 1 20 . 1 1 84 84 GLU N N 84 118.810 118.810 118.927 -0.117 19604 13553 1 20 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.176 -0.063 19604 13554 1 20 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.054 0.423 19604 13555 1 20 . 1 1 84 84 GLU CB C 84 29.669 29.669 28.951 0.718 19604 13556 1 20 . 1 1 84 84 GLU H H 84 8.062 8.062 7.989 0.073 19604 13557 1 20 . 1 1 85 85 ILE N N 85 122.019 122.019 120.705 1.314 19604 13558 1 20 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.096 -0.178 19604 13559 1 20 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.155 0.172 19604 13560 1 20 . 1 1 85 85 ILE CB C 85 37.428 37.428 38.135 -0.707 19604 13561 1 20 . 1 1 85 85 ILE H H 85 8.008 8.008 7.694 0.314 19604 13562 1 20 . 1 1 86 86 ARG N N 86 121.851 121.851 120.002 1.849 19604 13563 1 20 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.082 0.084 19604 13564 1 20 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.764 0.262 19604 13565 1 20 . 1 1 86 86 ARG CB C 86 29.967 29.967 29.969 -0.002 19604 13566 1 20 . 1 1 86 86 ARG H H 86 8.446 8.446 8.021 0.425 19604 13567 1 20 . 1 1 87 87 GLU N N 87 118.621 118.621 119.906 -1.285 19604 13568 1 20 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.006 0.104 19604 13569 1 20 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.393 -0.286 19604 13570 1 20 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.699 -0.273 19604 13571 1 20 . 1 1 87 87 GLU H H 87 8.149 8.149 7.988 0.161 19604 13572 1 20 . 1 1 88 88 ALA N N 88 121.741 121.741 122.228 -0.487 19604 13573 1 20 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.720 0.305 19604 13574 1 20 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.854 0.132 19604 13575 1 20 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.334 -0.610 19604 13576 1 20 . 1 1 88 88 ALA H H 88 7.880 7.880 7.541 0.339 19604 13577 1 20 . 1 1 89 89 PHE N N 89 118.057 118.057 118.991 -0.934 19604 13578 1 20 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.667 -0.518 19604 13579 1 20 . 1 1 89 89 PHE CA C 89 62.366 62.366 60.599 1.767 19604 13580 1 20 . 1 1 89 89 PHE CB C 89 39.337 39.337 38.725 0.612 19604 13581 1 20 . 1 1 89 89 PHE H H 89 8.463 8.463 8.238 0.225 19604 13582 1 20 . 1 1 90 90 ARG N N 90 115.723 115.723 119.071 -3.348 19604 13583 1 20 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.912 -0.020 19604 13584 1 20 . 1 1 90 90 ARG CA C 90 58.888 58.888 59.035 -0.147 19604 13585 1 20 . 1 1 90 90 ARG CB C 90 30.406 30.406 30.024 0.382 19604 13586 1 20 . 1 1 90 90 ARG H H 90 7.775 7.775 7.579 0.196 19604 13587 1 20 . 1 1 91 91 VAL N N 91 118.161 118.161 117.349 0.812 19604 13588 1 20 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.704 -0.180 19604 13589 1 20 . 1 1 91 91 VAL CA C 91 65.596 65.596 64.577 1.019 19604 13590 1 20 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.449 0.095 19604 13591 1 20 . 1 1 91 91 VAL H H 91 7.484 7.484 7.371 0.113 19604 13592 1 20 . 1 1 92 92 PHE N N 92 117.398 117.398 114.271 3.127 19604 13593 1 20 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.431 -0.153 19604 13594 1 20 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.083 1.598 19604 13595 1 20 . 1 1 92 92 PHE CB C 92 39.854 39.854 39.144 0.710 19604 13596 1 20 . 1 1 92 92 PHE H H 92 7.544 7.544 6.998 0.546 19604 13597 1 20 . 1 1 93 93 ASP N N 93 117.503 117.503 120.788 -3.285 19604 13598 1 20 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.338 0.203 19604 13599 1 20 . 1 1 93 93 ASP CA C 93 52.182 52.182 54.188 -2.006 19604 13600 1 20 . 1 1 93 93 ASP CB C 93 38.427 38.427 40.179 -1.752 19604 13601 1 20 . 1 1 93 93 ASP H H 93 7.963 7.963 7.846 0.117 19604 13602 1 20 . 1 1 94 94 LYS N N 94 125.976 125.976 126.015 -0.039 19604 13603 1 20 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.072 -0.166 19604 13604 1 20 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.772 1.290 19604 13605 1 20 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.897 0.136 19604 13606 1 20 . 1 1 94 94 LYS H H 94 7.585 7.585 7.990 -0.405 19604 13607 1 20 . 1 1 95 95 ASP N N 95 114.100 114.100 115.330 -1.230 19604 13608 1 20 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.478 0.076 19604 13609 1 20 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.619 -0.553 19604 13610 1 20 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.361 -0.612 19604 13611 1 20 . 1 1 95 95 ASP H H 95 8.186 8.186 7.876 0.310 19604 13612 1 20 . 1 1 96 96 GLY N N 96 109.383 109.383 108.212 1.171 19604 13613 1 20 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.055 1.093 19604 13614 1 20 . 1 1 96 96 GLY H H 96 7.809 7.809 7.705 0.104 19604 13615 1 20 . 1 1 97 97 ASN N N 97 119.744 119.744 119.415 0.329 19604 13616 1 20 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.628 0.018 19604 13617 1 20 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.808 -0.153 19604 13618 1 20 . 1 1 97 97 ASN CB C 97 38.189 38.189 38.950 -0.761 19604 13619 1 20 . 1 1 97 97 ASN H H 97 8.336 8.336 8.528 -0.192 19604 13620 1 20 . 1 1 98 98 GLY N N 98 112.937 112.937 107.414 5.523 19604 13621 1 20 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.438 -0.406 19604 13622 1 20 . 1 1 98 98 GLY H H 98 10.653 10.653 8.605 2.048 19604 13623 1 20 . 1 1 99 99 TYR N N 99 115.956 115.956 117.886 -1.930 19604 13624 1 20 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.099 -0.038 19604 13625 1 20 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.726 -1.537 19604 13626 1 20 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.681 0.363 19604 13627 1 20 . 1 1 99 99 TYR H H 99 7.630 7.630 8.430 -0.800 19604 13628 1 20 . 1 1 100 100 ILE N N 100 127.360 127.360 122.114 5.246 19604 13629 1 20 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.561 0.223 19604 13630 1 20 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.094 0.925 19604 13631 1 20 . 1 1 100 100 ILE CB C 100 38.985 38.985 41.743 -2.759 19604 13632 1 20 . 1 1 100 100 ILE H H 100 10.174 10.174 9.288 0.886 19604 13633 1 20 . 1 1 101 101 SER N N 101 124.117 124.117 121.628 2.489 19604 13634 1 20 . 1 1 101 101 SER HA H 101 4.885 4.885 4.920 -0.035 19604 13635 1 20 . 1 1 101 101 SER CA C 101 55.722 55.722 55.957 -0.235 19604 13636 1 20 . 1 1 101 101 SER CB C 101 66.631 66.631 66.290 0.341 19604 13637 1 20 . 1 1 101 101 SER H H 101 8.977 8.977 8.521 0.456 19604 13638 1 20 . 1 1 102 102 ALA N N 102 123.057 123.057 123.345 -0.288 19604 13639 1 20 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.082 -0.158 19604 13640 1 20 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.520 0.433 19604 13641 1 20 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.462 -0.571 19604 13642 1 20 . 1 1 102 102 ALA H H 102 9.261 9.261 9.031 0.230 19604 13643 1 20 . 1 1 103 103 ALA N N 103 118.685 118.685 120.923 -2.238 19604 13644 1 20 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.036 -0.012 19604 13645 1 20 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.665 0.554 19604 13646 1 20 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.417 -0.102 19604 13647 1 20 . 1 1 103 103 ALA H H 103 8.271 8.271 7.907 0.364 19604 13648 1 20 . 1 1 104 104 GLU N N 104 119.737 119.737 119.506 0.231 19604 13649 1 20 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.005 0.032 19604 13650 1 20 . 1 1 104 104 GLU CA C 104 59.250 59.250 59.120 0.130 19604 13651 1 20 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.680 -0.464 19604 13652 1 20 . 1 1 104 104 GLU H H 104 7.857 7.857 7.547 0.310 19604 13653 1 20 . 1 1 105 105 LEU N N 105 122.037 122.037 120.013 2.024 19604 13654 1 20 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.959 0.077 19604 13655 1 20 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.853 0.199 19604 13656 1 20 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.937 0.177 19604 13657 1 20 . 1 1 105 105 LEU H H 105 8.685 8.685 8.562 0.123 19604 13658 1 20 . 1 1 106 106 ARG N N 106 118.484 118.484 117.458 1.026 19604 13659 1 20 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.882 -0.174 19604 13660 1 20 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.570 0.460 19604 13661 1 20 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.895 0.422 19604 13662 1 20 . 1 1 106 106 ARG H H 106 8.682 8.682 7.689 0.993 19604 13663 1 20 . 1 1 107 107 HIS N N 107 118.917 118.917 118.198 0.719 19604 13664 1 20 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.323 -0.027 19604 13665 1 20 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.860 -0.018 19604 13666 1 20 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.583 0.993 19604 13667 1 20 . 1 1 107 107 HIS H H 107 7.803 7.803 7.800 0.003 19604 13668 1 20 . 1 1 108 108 VAL N N 108 119.662 119.662 118.659 1.003 19604 13669 1 20 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.828 -0.370 19604 13670 1 20 . 1 1 108 108 VAL CA C 108 66.452 66.452 65.865 0.587 19604 13671 1 20 . 1 1 108 108 VAL CB C 108 31.593 31.593 30.946 0.647 19604 13672 1 20 . 1 1 108 108 VAL H H 108 7.887 7.887 7.526 0.361 19604 13673 1 20 . 1 1 109 109 MET N N 109 115.981 115.981 117.630 -1.649 19604 13674 1 20 . 1 1 109 109 MET HA H 109 4.296 4.296 4.331 -0.035 19604 13675 1 20 . 1 1 109 109 MET CA C 109 57.062 57.062 57.109 -0.047 19604 13676 1 20 . 1 1 109 109 MET H H 109 8.128 8.128 7.549 0.579 19604 13677 1 20 . 1 1 110 110 THR N N 110 116.866 116.866 117.046 -0.180 19604 13678 1 20 . 1 1 110 110 THR HA H 110 4.080 4.080 4.108 -0.028 19604 13679 1 20 . 1 1 110 110 THR CA C 110 66.402 66.402 66.338 0.064 19604 13680 1 20 . 1 1 110 110 THR CB C 110 68.574 68.574 68.088 0.486 19604 13681 1 20 . 1 1 110 110 THR H H 110 8.302 8.302 8.371 -0.069 19604 13682 1 20 . 1 1 111 111 ASN N N 111 122.811 122.811 120.291 2.520 19604 13683 1 20 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.448 -0.003 19604 13684 1 20 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.438 0.373 19604 13685 1 20 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.404 -0.429 19604 13686 1 20 . 1 1 111 111 ASN H H 111 7.849 7.849 7.752 0.097 19604 13687 1 20 . 1 1 112 112 LEU N N 112 118.869 118.869 118.546 0.323 19604 13688 1 20 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.322 0.023 19604 13689 1 20 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.807 -0.716 19604 13690 1 20 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.621 -0.541 19604 13691 1 20 . 1 1 112 112 LEU H H 112 7.666 7.666 7.615 0.051 19604 13692 1 20 . 1 1 113 113 GLY N N 113 107.124 107.124 106.561 0.563 19604 13693 1 20 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.454 0.962 19604 13694 1 20 . 1 1 113 113 GLY H H 113 7.818 7.818 7.628 0.190 19604 13695 1 20 . 1 1 114 114 GLU N N 114 120.113 120.113 120.580 -0.467 19604 13696 1 20 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.505 -0.078 19604 13697 1 20 . 1 1 114 114 GLU CA C 114 54.596 54.596 53.836 0.760 19604 13698 1 20 . 1 1 114 114 GLU CB C 114 30.710 30.710 30.959 -0.249 19604 13699 1 20 . 1 1 114 114 GLU H H 114 7.895 7.895 8.300 -0.405 19604 13700 1 20 . 1 1 115 115 LYS N N 115 124.920 124.920 126.187 -1.267 19604 13701 1 20 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.145 0.235 19604 13702 1 20 . 1 1 115 115 LYS CA C 115 55.393 55.393 57.166 -1.773 19604 13703 1 20 . 1 1 115 115 LYS CB C 115 32.045 32.045 31.840 0.205 19604 13704 1 20 . 1 1 115 115 LYS H H 115 8.583 8.583 8.608 -0.025 19604 13705 1 20 . 1 1 116 116 LEU N N 116 124.979 124.979 125.313 -0.334 19604 13706 1 20 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.948 -0.181 19604 13707 1 20 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.524 0.557 19604 13708 1 20 . 1 1 116 116 LEU CB C 116 44.532 44.532 46.131 -1.599 19604 13709 1 20 . 1 1 116 116 LEU H H 116 8.082 8.082 8.085 -0.003 19604 13710 1 20 . 1 1 117 117 THR N N 117 114.448 114.448 112.027 2.421 19604 13711 1 20 . 1 1 117 117 THR HA H 117 4.452 4.452 4.650 -0.198 19604 13712 1 20 . 1 1 117 117 THR CA C 117 60.690 60.690 59.346 1.344 19604 13713 1 20 . 1 1 117 117 THR CB C 117 71.051 71.051 71.356 -0.305 19604 13714 1 20 . 1 1 117 117 THR H H 117 9.172 9.172 8.342 0.830 19604 13715 1 20 . 1 1 118 118 ASP N N 118 121.175 121.175 120.511 0.664 19604 13716 1 20 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.297 -0.084 19604 13717 1 20 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.699 -0.707 19604 13718 1 20 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.578 -0.908 19604 13719 1 20 . 1 1 118 118 ASP H H 118 8.889 8.889 8.802 0.087 19604 13720 1 20 . 1 1 119 119 GLU N N 119 119.386 119.386 118.710 0.676 19604 13721 1 20 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.064 0.024 19604 13722 1 20 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.928 1.085 19604 13723 1 20 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.433 -0.261 19604 13724 1 20 . 1 1 119 119 GLU H H 119 8.665 8.665 8.462 0.203 19604 13725 1 20 . 1 1 120 120 GLU N N 120 120.564 120.564 118.731 1.833 19604 13726 1 20 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.110 -0.128 19604 13727 1 20 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.002 0.250 19604 13728 1 20 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.627 1.133 19604 13729 1 20 . 1 1 120 120 GLU H H 120 7.715 7.715 7.450 0.265 19604 13730 1 20 . 1 1 121 121 VAL N N 121 120.955 120.955 119.151 1.804 19604 13731 1 20 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.720 -0.264 19604 13732 1 20 . 1 1 121 121 VAL CA C 121 66.881 66.881 64.963 1.918 19604 13733 1 20 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.321 0.009 19604 13734 1 20 . 1 1 121 121 VAL H H 121 8.050 8.050 7.831 0.219 19604 13735 1 20 . 1 1 122 122 ASP N N 122 120.016 120.016 120.606 -0.590 19604 13736 1 20 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.223 0.140 19604 13737 1 20 . 1 1 122 122 ASP CA C 122 57.714 57.714 58.440 -0.726 19604 13738 1 20 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.740 -0.287 19604 13739 1 20 . 1 1 122 122 ASP H H 122 7.980 7.980 7.832 0.148 19604 13740 1 20 . 1 1 123 123 GLU N N 123 119.913 119.913 118.205 1.708 19604 13741 1 20 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.071 -0.026 19604 13742 1 20 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.103 0.202 19604 13743 1 20 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.312 -0.033 19604 13744 1 20 . 1 1 123 123 GLU H H 123 8.033 8.033 8.574 -0.541 19604 13745 1 20 . 1 1 124 124 MET N N 124 119.642 119.642 118.286 1.356 19604 13746 1 20 . 1 1 124 124 MET HA H 124 4.175 4.175 4.069 0.106 19604 13747 1 20 . 1 1 124 124 MET CA C 124 60.420 60.420 59.430 0.990 19604 13748 1 20 . 1 1 124 124 MET CB C 124 33.408 33.408 32.800 0.609 19604 13749 1 20 . 1 1 124 124 MET H H 124 7.930 7.930 7.714 0.216 19604 13750 1 20 . 1 1 125 125 ILE N N 125 119.663 119.663 119.424 0.239 19604 13751 1 20 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.720 -0.011 19604 13752 1 20 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.146 0.193 19604 13753 1 20 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.484 -0.149 19604 13754 1 20 . 1 1 125 125 ILE H H 125 8.147 8.147 8.078 0.069 19604 13755 1 20 . 1 1 126 126 ARG N N 126 118.998 118.998 118.702 0.296 19604 13756 1 20 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.955 0.117 19604 13757 1 20 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.499 0.329 19604 13758 1 20 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.255 0.076 19604 13759 1 20 . 1 1 126 126 ARG H H 126 8.431 8.431 8.227 0.204 19604 13760 1 20 . 1 1 127 127 GLU N N 127 116.058 116.058 118.531 -2.473 19604 13761 1 20 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.153 -0.169 19604 13762 1 20 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.655 0.150 19604 13763 1 20 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.751 0.055 19604 13764 1 20 . 1 1 127 127 GLU H H 127 7.899 7.899 7.681 0.218 19604 13765 1 20 . 1 1 128 128 ALA N N 128 117.702 117.702 119.389 -1.687 19604 13766 1 20 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.140 0.313 19604 13767 1 20 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.242 -1.522 19604 13768 1 20 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.410 2.976 19604 13769 1 20 . 1 1 128 128 ALA H H 128 7.222 7.222 7.493 -0.271 19604 13770 1 20 . 1 1 129 129 ASP N N 129 117.996 117.996 119.538 -1.542 19604 13771 1 20 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.768 -0.271 19604 13772 1 20 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.026 0.310 19604 13773 1 20 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.636 1.046 19604 13774 1 20 . 1 1 129 129 ASP H H 129 7.947 7.947 8.044 -0.097 19604 13775 1 20 . 1 1 130 130 ILE N N 130 128.199 128.199 124.087 4.112 19604 13776 1 20 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.859 0.049 19604 13777 1 20 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.474 -0.041 19604 13778 1 20 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.526 0.212 19604 13779 1 20 . 1 1 130 130 ILE H H 130 8.399 8.399 7.895 0.504 19604 13780 1 20 . 1 1 131 131 ASP N N 131 116.628 116.628 117.540 -0.912 19604 13781 1 20 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.501 0.012 19604 13782 1 20 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.726 0.102 19604 13783 1 20 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.403 -0.414 19604 13784 1 20 . 1 1 131 131 ASP H H 131 8.258 8.258 7.879 0.379 19604 13785 1 20 . 1 1 132 132 GLY N N 132 108.616 108.616 108.556 0.060 19604 13786 1 20 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.039 1.488 19604 13787 1 20 . 1 1 132 132 GLY H H 132 7.559 7.559 7.694 -0.135 19604 13788 1 20 . 1 1 133 133 ASP N N 133 120.901 120.901 119.854 1.047 19604 13789 1 20 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.569 -0.091 19604 13790 1 20 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.626 0.027 19604 13791 1 20 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.397 -1.126 19604 13792 1 20 . 1 1 133 133 ASP H H 133 8.340 8.340 8.740 -0.400 19604 13793 1 20 . 1 1 134 134 GLY N N 134 112.918 112.918 108.973 3.945 19604 13794 1 20 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.957 0.911 19604 13795 1 20 . 1 1 134 134 GLY H H 134 10.366 10.366 8.844 1.522 19604 13796 1 20 . 1 1 135 135 GLN N N 135 115.297 115.297 117.656 -2.359 19604 13797 1 20 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.656 0.261 19604 13798 1 20 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.948 -1.721 19604 13799 1 20 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.331 -0.989 19604 13800 1 20 . 1 1 135 135 GLN H H 135 8.012 8.012 8.612 -0.600 19604 13801 1 20 . 1 1 136 136 VAL N N 136 125.463 125.463 121.401 4.062 19604 13802 1 20 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.015 0.203 19604 13803 1 20 . 1 1 136 136 VAL CA C 136 61.663 61.663 59.722 1.940 19604 13804 1 20 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.319 1.439 19604 13805 1 20 . 1 1 136 136 VAL H H 136 9.133 9.133 8.710 0.423 19604 13806 1 20 . 1 1 137 137 ASN N N 137 129.402 129.402 126.029 3.373 19604 13807 1 20 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.616 0.683 19604 13808 1 20 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.631 0.395 19604 13809 1 20 . 1 1 137 137 ASN CB C 137 38.285 38.285 40.065 -1.780 19604 13810 1 20 . 1 1 137 137 ASN H H 137 9.634 9.634 8.296 1.338 19604 13811 1 20 . 1 1 138 138 TYR N N 138 118.585 118.585 121.841 -3.256 19604 13812 1 20 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.163 0.179 19604 13813 1 20 . 1 1 138 138 TYR CA C 138 62.517 62.517 62.354 0.163 19604 13814 1 20 . 1 1 138 138 TYR CB C 138 37.696 37.696 37.914 -0.218 19604 13815 1 20 . 1 1 138 138 TYR H H 138 8.400 8.400 8.236 0.164 19604 13816 1 20 . 1 1 139 139 GLU N N 139 118.692 118.692 118.305 0.387 19604 13817 1 20 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.681 -0.063 19604 13818 1 20 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.734 0.580 19604 13819 1 20 . 1 1 139 139 GLU CB C 139 29.000 29.000 28.903 0.097 19604 13820 1 20 . 1 1 139 139 GLU H H 139 8.095 8.095 8.627 -0.532 19604 13821 1 20 . 1 1 140 140 GLU N N 140 119.980 119.980 118.689 1.291 19604 13822 1 20 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.063 -0.158 19604 13823 1 20 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.789 -0.257 19604 13824 1 20 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.718 -0.011 19604 13825 1 20 . 1 1 140 140 GLU H H 140 8.759 8.759 8.304 0.455 19604 13826 1 20 . 1 1 141 141 PHE N N 141 123.408 123.408 121.389 2.019 19604 13827 1 20 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.141 -0.410 19604 13828 1 20 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.215 0.768 19604 13829 1 20 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.159 1.014 19604 13830 1 20 . 1 1 141 141 PHE H H 141 8.639 8.639 8.321 0.318 19604 13831 1 20 . 1 1 142 142 VAL N N 142 119.839 119.839 118.809 1.030 19604 13832 1 20 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.439 -0.395 19604 13833 1 20 . 1 1 142 142 VAL CA C 142 67.118 67.118 65.976 1.142 19604 13834 1 20 . 1 1 142 142 VAL CB C 142 31.515 31.515 30.572 0.943 19604 13835 1 20 . 1 1 142 142 VAL H H 142 8.781 8.781 8.320 0.461 19604 13836 1 20 . 1 1 143 143 GLN N N 143 118.240 118.240 118.806 -0.566 19604 13837 1 20 . 1 1 143 143 GLN HA H 143 3.802 3.802 4.013 -0.211 19604 13838 1 20 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.291 0.526 19604 13839 1 20 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.620 -0.445 19604 13840 1 20 . 1 1 143 143 GLN H H 143 7.491 7.491 7.357 0.134 19604 13841 1 20 . 1 1 144 144 MET N N 144 116.028 116.028 118.461 -2.433 19604 13842 1 20 . 1 1 144 144 MET HA H 144 4.145 4.145 4.181 -0.036 19604 13843 1 20 . 1 1 144 144 MET CA C 144 55.939 55.939 57.024 -1.085 19604 13844 1 20 . 1 1 144 144 MET CB C 144 31.345 31.345 32.468 -1.123 19604 13845 1 20 . 1 1 144 144 MET H H 144 7.176 7.176 7.601 -0.425 19604 13846 1 20 . 1 1 145 145 MET N N 145 116.272 116.272 116.698 -0.426 19604 13847 1 20 . 1 1 145 145 MET HA H 145 4.301 4.301 4.286 0.015 19604 13848 1 20 . 1 1 145 145 MET CA C 145 55.416 55.416 57.722 -2.306 19604 13849 1 20 . 1 1 145 145 MET CB C 145 32.831 32.831 33.059 -0.228 19604 13850 1 20 . 1 1 145 145 MET H H 145 7.831 7.831 7.182 0.649 19604 13851 1 20 . 1 1 146 146 THR N N 146 110.389 110.389 114.007 -3.618 19604 13852 1 20 . 1 1 146 146 THR HA H 146 4.308 4.308 4.200 0.108 19604 13853 1 20 . 1 1 146 146 THR CA C 146 61.942 61.942 63.401 -1.459 19604 13854 1 20 . 1 1 146 146 THR CB C 146 70.244 70.244 69.128 1.116 19604 13855 1 20 . 1 1 146 146 THR H H 146 7.474 7.474 7.728 -0.254 19604 13856 1 20 . 1 1 147 147 ALA N N 147 126.864 126.864 123.419 3.445 19604 13857 1 20 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.335 -0.127 19604 13858 1 20 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.500 0.498 19604 13859 1 20 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.338 -0.222 19604 13860 1 20 . 1 1 147 147 ALA H H 147 7.622 7.622 7.525 0.097 19604 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 141 2.033 -0.292 2.020 19604 2 1 1 "Average Difference" HA 156 0.240 -0.021 0.240 19604 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19604 4 1 1 "Average Difference" CA 145 0.884 -0.017 0.887 19604 5 1 1 "Average Difference" CB 132 0.834 0.005 0.837 19604 6 1 1 "Average Difference" HN 141 0.532 -0.179 0.503 19604 7 1 2 "Average Difference" N 141 1.940 -0.310 1.922 19604 8 1 2 "Average Difference" HA 156 0.224 -0.021 0.224 19604 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19604 10 1 2 "Average Difference" CA 145 0.978 0.013 0.981 19604 11 1 2 "Average Difference" CB 132 0.876 -0.000 0.879 19604 12 1 2 "Average Difference" HN 141 0.533 -0.186 0.501 19604 13 1 3 "Average Difference" N 141 1.973 -0.206 1.970 19604 14 1 3 "Average Difference" HA 156 0.246 -0.016 0.246 19604 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19604 16 1 3 "Average Difference" CA 145 0.943 -0.039 0.946 19604 17 1 3 "Average Difference" CB 132 0.870 0.019 0.874 19604 18 1 3 "Average Difference" HN 141 0.531 -0.176 0.503 19604 19 1 4 "Average Difference" N 141 1.974 -0.297 1.958 19604 20 1 4 "Average Difference" HA 156 0.245 -0.017 0.245 19604 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19604 22 1 4 "Average Difference" CA 145 0.917 -0.013 0.920 19604 23 1 4 "Average Difference" CB 132 0.816 0.038 0.819 19604 24 1 4 "Average Difference" HN 141 0.527 -0.140 0.510 19604 25 1 5 "Average Difference" N 141 2.129 -0.412 2.096 19604 26 1 5 "Average Difference" HA 156 0.237 -0.006 0.238 19604 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19604 28 1 5 "Average Difference" CA 145 0.929 -0.033 0.932 19604 29 1 5 "Average Difference" CB 132 0.831 -0.007 0.834 19604 30 1 5 "Average Difference" HN 141 0.534 -0.190 0.501 19604 31 1 6 "Average Difference" N 141 2.012 -0.250 2.004 19604 32 1 6 "Average Difference" HA 156 0.238 -0.013 0.239 19604 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19604 34 1 6 "Average Difference" CA 145 0.893 0.032 0.895 19604 35 1 6 "Average Difference" CB 132 0.852 -0.027 0.855 19604 36 1 6 "Average Difference" HN 141 0.523 -0.149 0.503 19604 37 1 7 "Average Difference" N 141 1.884 -0.311 1.865 19604 38 1 7 "Average Difference" HA 156 0.254 -0.004 0.255 19604 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19604 40 1 7 "Average Difference" CA 145 0.882 -0.072 0.882 19604 41 1 7 "Average Difference" CB 132 0.835 0.023 0.838 19604 42 1 7 "Average Difference" HN 141 0.518 -0.153 0.497 19604 43 1 8 "Average Difference" N 141 1.936 -0.301 1.919 19604 44 1 8 "Average Difference" HA 156 0.228 -0.005 0.229 19604 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19604 46 1 8 "Average Difference" CA 145 0.846 -0.031 0.848 19604 47 1 8 "Average Difference" CB 132 0.847 0.007 0.850 19604 48 1 8 "Average Difference" HN 141 0.537 -0.177 0.509 19604 49 1 9 "Average Difference" N 141 1.930 -0.248 1.921 19604 50 1 9 "Average Difference" HA 156 0.253 -0.011 0.253 19604 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19604 52 1 9 "Average Difference" CA 145 0.880 -0.064 0.881 19604 53 1 9 "Average Difference" CB 132 0.837 0.023 0.840 19604 54 1 9 "Average Difference" HN 141 0.515 -0.179 0.485 19604 55 1 10 "Average Difference" N 141 1.987 -0.305 1.970 19604 56 1 10 "Average Difference" HA 156 0.230 -0.007 0.230 19604 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19604 58 1 10 "Average Difference" CA 145 0.898 -0.040 0.900 19604 59 1 10 "Average Difference" CB 132 0.801 0.031 0.804 19604 60 1 10 "Average Difference" HN 141 0.534 -0.155 0.513 19604 61 1 11 "Average Difference" N 141 2.085 -0.260 2.076 19604 62 1 11 "Average Difference" HA 156 0.229 0.003 0.230 19604 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19604 64 1 11 "Average Difference" CA 145 0.845 -0.072 0.845 19604 65 1 11 "Average Difference" CB 132 0.831 0.030 0.833 19604 66 1 11 "Average Difference" HN 141 0.523 -0.174 0.495 19604 67 1 12 "Average Difference" N 141 1.903 -0.261 1.892 19604 68 1 12 "Average Difference" HA 156 0.228 -0.007 0.229 19604 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19604 70 1 12 "Average Difference" CA 145 0.880 -0.024 0.882 19604 71 1 12 "Average Difference" CB 132 0.875 -0.014 0.879 19604 72 1 12 "Average Difference" HN 141 0.516 -0.155 0.494 19604 73 1 13 "Average Difference" N 141 2.086 -0.270 2.076 19604 74 1 13 "Average Difference" HA 156 0.235 -0.028 0.234 19604 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19604 76 1 13 "Average Difference" CA 145 0.870 -0.055 0.871 19604 77 1 13 "Average Difference" CB 132 0.798 0.008 0.801 19604 78 1 13 "Average Difference" HN 141 0.533 -0.181 0.503 19604 79 1 14 "Average Difference" N 141 1.906 -0.286 1.891 19604 80 1 14 "Average Difference" HA 156 0.250 -0.016 0.250 19604 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19604 82 1 14 "Average Difference" CA 145 0.918 0.002 0.921 19604 83 1 14 "Average Difference" CB 132 0.868 0.035 0.871 19604 84 1 14 "Average Difference" HN 141 0.533 -0.150 0.513 19604 85 1 15 "Average Difference" N 141 1.924 -0.222 1.918 19604 86 1 15 "Average Difference" HA 156 0.218 -0.006 0.219 19604 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19604 88 1 15 "Average Difference" CA 145 0.874 -0.089 0.873 19604 89 1 15 "Average Difference" CB 132 0.880 0.016 0.883 19604 90 1 15 "Average Difference" HN 141 0.525 -0.163 0.501 19604 91 1 16 "Average Difference" N 141 2.016 -0.278 2.003 19604 92 1 16 "Average Difference" HA 156 0.219 -0.008 0.219 19604 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19604 94 1 16 "Average Difference" CA 145 0.873 -0.054 0.874 19604 95 1 16 "Average Difference" CB 132 0.822 0.056 0.823 19604 96 1 16 "Average Difference" HN 141 0.522 -0.179 0.492 19604 97 1 17 "Average Difference" N 141 1.985 -0.253 1.976 19604 98 1 17 "Average Difference" HA 156 0.246 -0.016 0.246 19604 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19604 100 1 17 "Average Difference" CA 145 0.907 -0.055 0.908 19604 101 1 17 "Average Difference" CB 132 0.809 0.015 0.812 19604 102 1 17 "Average Difference" HN 141 0.516 -0.180 0.485 19604 103 1 18 "Average Difference" N 141 1.855 -0.241 1.846 19604 104 1 18 "Average Difference" HA 156 0.233 0.000 0.234 19604 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19604 106 1 18 "Average Difference" CA 145 0.889 -0.017 0.892 19604 107 1 18 "Average Difference" CB 132 0.883 0.041 0.885 19604 108 1 18 "Average Difference" HN 141 0.521 -0.159 0.498 19604 109 1 19 "Average Difference" N 141 2.096 -0.272 2.086 19604 110 1 19 "Average Difference" HA 156 0.240 -0.005 0.241 19604 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19604 112 1 19 "Average Difference" CA 145 0.926 -0.014 0.930 19604 113 1 19 "Average Difference" CB 132 0.810 0.057 0.811 19604 114 1 19 "Average Difference" HN 141 0.518 -0.140 0.500 19604 115 1 20 "Average Difference" N 141 2.013 -0.239 2.006 19604 116 1 20 "Average Difference" HA 156 0.239 -0.020 0.239 19604 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19604 118 1 20 "Average Difference" CA 145 0.933 -0.059 0.935 19604 119 1 20 "Average Difference" CB 132 0.965 -0.009 0.968 19604 120 1 20 "Average Difference" HN 141 0.528 -0.180 0.498 19604 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 19604 _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 ASP HA H 2 4.640 4.640 4.649 -0.009 19604 2 1 . 1 1 2 2 ASP CA C 2 54.613 54.613 54.296 0.317 19604 3 1 . 1 1 2 2 ASP CB C 2 41.351 41.351 41.231 0.120 19604 4 1 . 1 1 3 3 GLN N N 3 120.300 120.300 119.404 0.896 19604 5 1 . 1 1 3 3 GLN HA H 3 4.373 4.373 4.396 -0.023 19604 6 1 . 1 1 3 3 GLN CA C 3 55.498 55.498 55.837 -0.339 19604 7 1 . 1 1 3 3 GLN CB C 3 29.778 29.778 29.701 0.077 19604 8 1 . 1 1 3 3 GLN H H 3 8.388 8.388 8.202 0.186 19604 9 1 . 1 1 4 4 LEU N N 4 123.525 123.525 122.238 1.287 19604 10 1 . 1 1 4 4 LEU HA H 4 4.687 4.687 4.696 -0.009 19604 11 1 . 1 1 4 4 LEU CA C 4 54.359 54.359 54.446 -0.087 19604 12 1 . 1 1 4 4 LEU CB C 4 43.653 43.653 42.828 0.825 19604 13 1 . 1 1 4 4 LEU H H 4 8.299 8.299 8.303 -0.004 19604 14 1 . 1 1 5 5 THR N N 5 113.299 113.299 113.758 -0.459 19604 15 1 . 1 1 5 5 THR HA H 5 4.476 4.476 4.580 -0.104 19604 16 1 . 1 1 5 5 THR CA C 5 60.463 60.463 60.090 0.373 19604 17 1 . 1 1 5 5 THR CB C 5 71.250 71.250 71.220 0.030 19604 18 1 . 1 1 5 5 THR H H 5 8.651 8.651 8.042 0.609 19604 19 1 . 1 1 6 6 GLU N N 6 120.620 120.620 121.273 -0.653 19604 20 1 . 1 1 6 6 GLU HA H 6 3.975 3.975 4.008 -0.033 19604 21 1 . 1 1 6 6 GLU CA C 6 59.935 59.935 60.177 -0.242 19604 22 1 . 1 1 6 6 GLU CB C 6 29.199 29.199 29.566 -0.367 19604 23 1 . 1 1 6 6 GLU H H 6 9.014 9.014 8.883 0.131 19604 24 1 . 1 1 7 7 GLU N N 7 119.586 119.586 118.126 1.460 19604 25 1 . 1 1 7 7 GLU HA H 7 4.068 4.068 4.042 0.026 19604 26 1 . 1 1 7 7 GLU CA C 7 59.943 59.943 59.092 0.851 19604 27 1 . 1 1 7 7 GLU CB C 7 29.078 29.078 29.341 -0.263 19604 28 1 . 1 1 7 7 GLU H H 7 8.713 8.713 8.391 0.322 19604 29 1 . 1 1 8 8 GLN N N 8 120.413 120.413 119.147 1.266 19604 30 1 . 1 1 8 8 GLN HA H 8 3.825 3.825 4.085 -0.260 19604 31 1 . 1 1 8 8 GLN CA C 8 58.775 58.775 58.425 0.351 19604 32 1 . 1 1 8 8 GLN CB C 8 29.460 29.460 28.839 0.621 19604 33 1 . 1 1 8 8 GLN H H 8 7.719 7.719 7.625 0.094 19604 34 1 . 1 1 9 9 ILE N N 9 119.362 119.362 120.697 -1.335 19604 35 1 . 1 1 9 9 ILE HA H 9 3.668 3.668 3.949 -0.281 19604 36 1 . 1 1 9 9 ILE CA C 9 66.235 66.235 65.013 1.222 19604 37 1 . 1 1 9 9 ILE CB C 9 37.821 37.821 37.879 -0.058 19604 38 1 . 1 1 9 9 ILE H H 9 8.267 8.267 8.452 -0.185 19604 39 1 . 1 1 10 10 ALA N N 10 121.321 121.321 121.832 -0.511 19604 40 1 . 1 1 10 10 ALA HA H 10 4.118 4.118 3.983 0.135 19604 41 1 . 1 1 10 10 ALA CA C 10 55.397 55.397 55.597 -0.200 19604 42 1 . 1 1 10 10 ALA CB C 10 17.796 17.796 17.967 -0.171 19604 43 1 . 1 1 10 10 ALA H H 10 8.023 8.023 8.358 -0.335 19604 44 1 . 1 1 11 11 GLU N N 11 119.865 119.865 118.736 1.129 19604 45 1 . 1 1 11 11 GLU HA H 11 4.141 4.141 4.065 0.076 19604 46 1 . 1 1 11 11 GLU CA C 11 59.411 59.411 58.954 0.457 19604 47 1 . 1 1 11 11 GLU CB C 11 29.208 29.208 29.307 -0.099 19604 48 1 . 1 1 11 11 GLU H H 11 7.761 7.761 7.676 0.084 19604 49 1 . 1 1 12 12 PHE N N 12 119.971 119.971 118.913 1.058 19604 50 1 . 1 1 12 12 PHE HA H 12 5.023 5.023 4.386 0.637 19604 51 1 . 1 1 12 12 PHE CA C 12 58.712 58.712 60.573 -1.861 19604 52 1 . 1 1 12 12 PHE CB C 12 37.517 37.517 38.692 -1.176 19604 53 1 . 1 1 12 12 PHE H H 12 8.479 8.479 7.482 0.997 19604 54 1 . 1 1 13 13 LYS N N 13 123.604 123.604 119.769 3.835 19604 55 1 . 1 1 13 13 LYS HA H 13 3.974 3.974 4.120 -0.146 19604 56 1 . 1 1 13 13 LYS CA C 13 59.956 59.956 60.148 -0.192 19604 57 1 . 1 1 13 13 LYS CB C 13 31.778 31.778 32.261 -0.483 19604 58 1 . 1 1 13 13 LYS H H 13 9.222 9.222 8.836 0.386 19604 59 1 . 1 1 14 14 GLU N N 14 120.976 120.976 118.615 2.361 19604 60 1 . 1 1 14 14 GLU HA H 14 4.113 4.113 4.147 -0.034 19604 61 1 . 1 1 14 14 GLU CA C 14 59.562 59.562 59.119 0.443 19604 62 1 . 1 1 14 14 GLU CB C 14 29.415 29.415 29.448 -0.033 19604 63 1 . 1 1 14 14 GLU H H 14 7.924 7.924 7.871 0.053 19604 64 1 . 1 1 15 15 ALA N N 15 122.303 122.303 122.070 0.233 19604 65 1 . 1 1 15 15 ALA HA H 15 4.324 4.324 4.182 0.142 19604 66 1 . 1 1 15 15 ALA CA C 15 55.138 55.138 54.865 0.273 19604 67 1 . 1 1 15 15 ALA CB C 15 18.002 18.002 18.357 -0.355 19604 68 1 . 1 1 15 15 ALA H H 15 7.990 7.990 7.727 0.263 19604 69 1 . 1 1 16 16 PHE N N 16 119.011 119.011 119.261 -0.250 19604 70 1 . 1 1 16 16 PHE HA H 16 3.270 3.270 3.684 -0.414 19604 71 1 . 1 1 16 16 PHE CA C 16 61.988 61.988 60.937 1.051 19604 72 1 . 1 1 16 16 PHE CB C 16 39.906 39.906 39.218 0.688 19604 73 1 . 1 1 16 16 PHE H H 16 8.666 8.666 7.888 0.778 19604 74 1 . 1 1 17 17 SER N N 17 113.988 113.988 114.121 -0.133 19604 75 1 . 1 1 17 17 SER HA H 17 4.086 4.086 4.056 0.030 19604 76 1 . 1 1 17 17 SER CA C 17 61.532 61.532 61.334 0.198 19604 77 1 . 1 1 17 17 SER CB C 17 62.921 62.921 63.184 -0.263 19604 78 1 . 1 1 17 17 SER H H 17 8.202 8.202 7.944 0.258 19604 79 1 . 1 1 18 18 LEU N N 18 120.913 120.913 120.202 0.711 19604 80 1 . 1 1 18 18 LEU HA H 18 3.950 3.950 4.015 -0.065 19604 81 1 . 1 1 18 18 LEU CA C 18 57.487 57.487 57.053 0.434 19604 82 1 . 1 1 18 18 LEU CB C 18 41.523 41.523 41.913 -0.390 19604 83 1 . 1 1 18 18 LEU H H 18 7.280 7.280 7.288 -0.008 19604 84 1 . 1 1 19 19 PHE N N 19 113.613 113.613 114.317 -0.704 19604 85 1 . 1 1 19 19 PHE HA H 19 4.032 4.032 4.215 -0.183 19604 86 1 . 1 1 19 19 PHE CA C 19 59.406 59.406 59.685 -0.279 19604 87 1 . 1 1 19 19 PHE CB C 19 41.557 41.557 39.309 2.248 19604 88 1 . 1 1 19 19 PHE H H 19 7.070 7.070 7.289 -0.219 19604 89 1 . 1 1 20 20 ASP N N 20 117.393 117.393 119.205 -1.812 19604 90 1 . 1 1 20 20 ASP HA H 20 4.593 4.593 4.532 0.061 19604 91 1 . 1 1 20 20 ASP CA C 20 52.468 52.468 53.830 -1.362 19604 92 1 . 1 1 20 20 ASP CB C 20 39.296 39.296 40.180 -0.884 19604 93 1 . 1 1 20 20 ASP H H 20 7.790 7.790 7.613 0.177 19604 94 1 . 1 1 21 21 LYS N N 21 124.292 124.292 124.648 -0.356 19604 95 1 . 1 1 21 21 LYS HA H 21 3.978 3.978 4.012 -0.034 19604 96 1 . 1 1 21 21 LYS CA C 21 58.320 58.320 58.272 0.048 19604 97 1 . 1 1 21 21 LYS CB C 21 32.673 32.673 32.726 -0.053 19604 98 1 . 1 1 21 21 LYS H H 21 7.707 7.707 8.118 -0.411 19604 99 1 . 1 1 22 22 ASP N N 22 114.139 114.139 115.222 -1.083 19604 100 1 . 1 1 22 22 ASP HA H 22 4.580 4.580 4.519 0.061 19604 101 1 . 1 1 22 22 ASP CA C 22 52.791 52.791 53.742 -0.951 19604 102 1 . 1 1 22 22 ASP CB C 22 39.565 39.565 40.349 -0.784 19604 103 1 . 1 1 22 22 ASP H H 22 8.025 8.025 8.145 -0.120 19604 104 1 . 1 1 23 23 GLY N N 23 109.378 109.378 108.902 0.476 19604 105 1 . 1 1 23 23 GLY CA C 23 47.216 47.216 46.281 0.935 19604 106 1 . 1 1 23 23 GLY H H 23 7.661 7.661 7.735 -0.074 19604 107 1 . 1 1 24 24 ASP N N 24 121.022 121.022 119.989 1.033 19604 108 1 . 1 1 24 24 ASP HA H 24 4.515 4.515 4.537 -0.022 19604 109 1 . 1 1 24 24 ASP CA C 24 53.678 53.678 53.494 0.184 19604 110 1 . 1 1 24 24 ASP CB C 24 40.503 40.503 41.608 -1.105 19604 111 1 . 1 1 24 24 ASP H H 24 8.466 8.466 8.362 0.104 19604 112 1 . 1 1 25 25 GLY N N 25 112.810 112.810 109.384 3.426 19604 113 1 . 1 1 25 25 GLY CA C 25 45.346 45.346 45.346 -0.000 19604 114 1 . 1 1 25 25 GLY H H 25 10.507 10.507 9.156 1.351 19604 115 1 . 1 1 26 26 THR N N 26 112.094 112.094 112.647 -0.553 19604 116 1 . 1 1 26 26 THR HA H 26 5.431 5.431 5.387 0.044 19604 117 1 . 1 1 26 26 THR CA C 26 59.576 59.576 60.332 -0.756 19604 118 1 . 1 1 26 26 THR CB C 26 72.730 72.730 71.768 0.962 19604 119 1 . 1 1 26 26 THR H H 26 8.191 8.191 8.381 -0.190 19604 120 1 . 1 1 27 27 ILE N N 27 126.447 126.447 126.680 -0.233 19604 121 1 . 1 1 27 27 ILE HA H 27 4.767 4.767 4.601 0.166 19604 122 1 . 1 1 27 27 ILE CA C 27 61.130 61.130 60.658 0.472 19604 123 1 . 1 1 27 27 ILE CB C 27 39.988 39.988 38.631 1.357 19604 124 1 . 1 1 27 27 ILE H H 27 9.845 9.845 8.924 0.921 19604 125 1 . 1 1 28 28 THR N N 28 116.315 116.315 117.909 -1.594 19604 126 1 . 1 1 28 28 THR HA H 28 4.894 4.894 4.923 -0.029 19604 127 1 . 1 1 28 28 THR CA C 28 59.217 59.217 59.649 -0.432 19604 128 1 . 1 1 28 28 THR CB C 28 72.480 72.480 71.618 0.862 19604 129 1 . 1 1 28 28 THR H H 28 8.322 8.322 8.787 -0.465 19604 130 1 . 1 1 29 29 THR N N 29 112.270 112.270 112.792 -0.522 19604 131 1 . 1 1 29 29 THR HA H 29 3.790 3.790 4.024 -0.234 19604 132 1 . 1 1 29 29 THR CA C 29 66.207 66.207 66.234 -0.027 19604 133 1 . 1 1 29 29 THR CB C 29 67.737 67.737 68.401 -0.664 19604 134 1 . 1 1 29 29 THR H H 29 9.251 9.251 8.841 0.410 19604 135 1 . 1 1 30 30 LYS N N 30 121.127 121.127 121.714 -0.587 19604 136 1 . 1 1 30 30 LYS HA H 30 4.118 4.118 4.111 0.007 19604 137 1 . 1 1 30 30 LYS CA C 30 59.257 59.257 59.182 0.075 19604 138 1 . 1 1 30 30 LYS CB C 30 32.533 32.533 32.130 0.403 19604 139 1 . 1 1 30 30 LYS H H 30 7.569 7.569 7.773 -0.204 19604 140 1 . 1 1 31 31 GLU N N 31 121.876 121.876 120.029 1.847 19604 141 1 . 1 1 31 31 GLU HA H 31 4.016 4.016 4.082 -0.066 19604 142 1 . 1 1 31 31 GLU CA C 31 59.457 59.457 59.216 0.241 19604 143 1 . 1 1 31 31 GLU CB C 31 29.551 29.551 29.667 -0.116 19604 144 1 . 1 1 31 31 GLU H H 31 7.715 7.715 7.635 0.081 19604 145 1 . 1 1 32 32 LEU N N 32 120.674 120.674 120.930 -0.256 19604 146 1 . 1 1 32 32 LEU HA H 32 4.194 4.194 4.246 -0.052 19604 147 1 . 1 1 32 32 LEU CA C 32 58.187 58.187 57.487 0.700 19604 148 1 . 1 1 32 32 LEU CB C 32 42.156 42.156 41.814 0.342 19604 149 1 . 1 1 32 32 LEU H H 32 8.592 8.592 8.424 0.168 19604 150 1 . 1 1 33 33 GLY N N 33 106.859 106.859 105.509 1.350 19604 151 1 . 1 1 33 33 GLY CA C 33 48.227 48.227 47.390 0.837 19604 152 1 . 1 1 33 33 GLY H H 33 8.861 8.861 8.308 0.553 19604 153 1 . 1 1 34 34 THR N N 34 118.512 118.512 119.001 -0.489 19604 154 1 . 1 1 34 34 THR HA H 34 3.935 3.935 3.973 -0.038 19604 155 1 . 1 1 34 34 THR CA C 34 66.964 66.964 66.938 0.026 19604 156 1 . 1 1 34 34 THR CB C 34 68.610 68.610 68.698 -0.088 19604 157 1 . 1 1 34 34 THR H H 34 7.965 7.965 7.642 0.323 19604 158 1 . 1 1 35 35 VAL N N 35 122.456 122.456 121.434 1.022 19604 159 1 . 1 1 35 35 VAL HA H 35 3.571 3.571 3.565 0.006 19604 160 1 . 1 1 35 35 VAL CA C 35 66.559 66.559 66.640 -0.081 19604 161 1 . 1 1 35 35 VAL CB C 35 31.531 31.531 31.448 0.083 19604 162 1 . 1 1 35 35 VAL H H 35 7.532 7.532 7.567 -0.035 19604 163 1 . 1 1 36 36 MET N N 36 118.015 118.015 117.250 0.765 19604 164 1 . 1 1 36 36 MET HA H 36 3.899 3.899 4.107 -0.208 19604 165 1 . 1 1 36 36 MET CA C 36 60.156 60.156 58.971 1.185 19604 166 1 . 1 1 36 36 MET CB C 36 31.731 31.731 32.058 -0.327 19604 167 1 . 1 1 36 36 MET H H 36 8.525 8.525 7.909 0.616 19604 168 1 . 1 1 37 37 ARG N N 37 119.604 119.604 119.464 0.140 19604 169 1 . 1 1 37 37 ARG HA H 37 4.781 4.781 4.069 0.711 19604 170 1 . 1 1 37 37 ARG CA C 37 59.256 59.256 59.667 -0.411 19604 171 1 . 1 1 37 37 ARG CB C 37 29.613 29.613 29.944 -0.331 19604 172 1 . 1 1 37 37 ARG H H 37 8.579 8.579 7.884 0.695 19604 173 1 . 1 1 38 38 SER N N 38 119.543 119.543 114.689 4.854 19604 174 1 . 1 1 38 38 SER HA H 38 4.396 4.396 4.287 0.109 19604 175 1 . 1 1 38 38 SER CA C 38 61.758 61.758 60.946 0.812 19604 176 1 . 1 1 38 38 SER CB C 38 62.691 62.691 62.861 -0.170 19604 177 1 . 1 1 38 38 SER H H 38 7.939 7.939 7.769 0.170 19604 178 1 . 1 1 39 39 LEU N N 39 120.454 120.454 119.934 0.520 19604 179 1 . 1 1 39 39 LEU HA H 39 4.441 4.441 4.413 0.028 19604 180 1 . 1 1 39 39 LEU CA C 39 54.616 54.616 55.295 -0.678 19604 181 1 . 1 1 39 39 LEU CB C 39 42.130 42.130 42.495 -0.365 19604 182 1 . 1 1 39 39 LEU H H 39 7.394 7.394 7.532 -0.138 19604 183 1 . 1 1 40 40 GLY N N 40 107.378 107.378 106.388 0.990 19604 184 1 . 1 1 40 40 GLY CA C 40 45.615 45.615 44.581 1.034 19604 185 1 . 1 1 40 40 GLY H H 40 7.897 7.897 7.764 0.133 19604 186 1 . 1 1 41 41 GLN N N 41 118.330 118.330 120.150 -1.820 19604 187 1 . 1 1 41 41 GLN HA H 41 4.501 4.501 4.513 -0.012 19604 188 1 . 1 1 41 41 GLN CA C 41 54.318 54.318 54.482 -0.164 19604 189 1 . 1 1 41 41 GLN CB C 41 30.494 30.494 30.966 -0.472 19604 190 1 . 1 1 41 41 GLN H H 41 7.883 7.883 8.102 -0.219 19604 191 1 . 1 1 42 42 ASN N N 42 116.488 116.488 123.348 -6.860 19604 192 1 . 1 1 42 42 ASN HA H 42 5.212 5.212 5.042 0.170 19604 193 1 . 1 1 42 42 ASN CA C 42 51.128 51.128 49.855 1.273 19604 194 1 . 1 1 42 42 ASN CB C 42 39.171 39.171 38.946 0.225 19604 195 1 . 1 1 42 42 ASN H H 42 8.697 8.697 8.597 0.100 19604 196 1 . 1 1 43 43 PRO HA H 43 4.784 4.784 4.705 0.079 19604 197 1 . 1 1 43 43 PRO CA C 43 62.322 62.322 62.755 -0.433 19604 198 1 . 1 1 43 43 PRO CB C 43 32.278 32.278 32.852 -0.574 19604 199 1 . 1 1 44 44 THR N N 44 112.452 112.452 112.183 0.269 19604 200 1 . 1 1 44 44 THR HA H 44 4.461 4.461 4.488 -0.027 19604 201 1 . 1 1 44 44 THR CA C 44 60.411 60.411 60.096 0.315 19604 202 1 . 1 1 44 44 THR CB C 44 71.068 71.068 71.445 -0.377 19604 203 1 . 1 1 44 44 THR H H 44 8.678 8.678 8.163 0.515 19604 204 1 . 1 1 45 45 GLU N N 45 120.954 120.954 123.486 -2.532 19604 205 1 . 1 1 45 45 GLU HA H 45 4.010 4.010 3.940 0.070 19604 206 1 . 1 1 45 45 GLU CA C 45 59.883 59.883 60.186 -0.303 19604 207 1 . 1 1 45 45 GLU H H 45 8.803 8.803 9.039 -0.236 19604 208 1 . 1 1 46 46 ALA N N 46 120.643 120.643 120.691 -0.048 19604 209 1 . 1 1 46 46 ALA HA H 46 4.117 4.117 4.205 -0.088 19604 210 1 . 1 1 46 46 ALA CA C 46 55.013 55.013 54.520 0.493 19604 211 1 . 1 1 46 46 ALA CB C 46 18.173 18.173 18.175 -0.002 19604 212 1 . 1 1 46 46 ALA H H 46 8.272 8.272 8.234 0.038 19604 213 1 . 1 1 47 47 GLU N N 47 119.059 119.059 120.195 -1.136 19604 214 1 . 1 1 47 47 GLU HA H 47 4.035 4.035 4.037 -0.002 19604 215 1 . 1 1 47 47 GLU CA C 47 59.163 59.163 59.129 0.034 19604 216 1 . 1 1 47 47 GLU CB C 47 29.926 29.926 29.709 0.217 19604 217 1 . 1 1 47 47 GLU H H 47 7.686 7.686 7.653 0.033 19604 218 1 . 1 1 48 48 LEU N N 48 119.848 119.848 119.840 0.008 19604 219 1 . 1 1 48 48 LEU HA H 48 4.025 4.025 3.935 0.090 19604 220 1 . 1 1 48 48 LEU CA C 48 57.841 57.841 58.112 -0.271 19604 221 1 . 1 1 48 48 LEU CB C 48 42.430 42.430 41.837 0.593 19604 222 1 . 1 1 48 48 LEU H H 48 8.036 8.036 8.500 -0.464 19604 223 1 . 1 1 49 49 GLN N N 49 118.226 118.226 117.769 0.457 19604 224 1 . 1 1 49 49 GLN HA H 49 3.803 3.803 3.961 -0.158 19604 225 1 . 1 1 49 49 GLN CA C 49 58.561 58.561 58.668 -0.107 19604 226 1 . 1 1 49 49 GLN CB C 49 28.242 28.242 27.920 0.322 19604 227 1 . 1 1 49 49 GLN H H 49 8.323 8.323 7.816 0.507 19604 228 1 . 1 1 50 50 ASP N N 50 119.928 119.928 120.339 -0.411 19604 229 1 . 1 1 50 50 ASP HA H 50 4.398 4.398 4.403 -0.005 19604 230 1 . 1 1 50 50 ASP CA C 50 57.609 57.609 57.050 0.559 19604 231 1 . 1 1 50 50 ASP CB C 50 40.633 40.633 40.782 -0.148 19604 232 1 . 1 1 50 50 ASP H H 50 8.147 8.147 7.721 0.426 19604 233 1 . 1 1 51 51 MET N N 51 117.796 117.796 117.989 -0.193 19604 234 1 . 1 1 51 51 MET HA H 51 4.050 4.050 4.171 -0.121 19604 235 1 . 1 1 51 51 MET CA C 51 59.555 59.555 59.300 0.255 19604 236 1 . 1 1 51 51 MET CB C 51 32.846 32.846 32.688 0.158 19604 237 1 . 1 1 51 51 MET H H 51 7.814 7.814 7.714 0.100 19604 238 1 . 1 1 52 52 ILE N N 52 118.474 118.474 119.350 -0.876 19604 239 1 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.574 0.025 19604 240 1 . 1 1 52 52 ILE CA C 52 64.106 64.106 64.965 -0.859 19604 241 1 . 1 1 52 52 ILE CB C 52 37.059 37.059 37.538 -0.479 19604 242 1 . 1 1 52 52 ILE H H 52 7.685 7.685 8.043 -0.358 19604 243 1 . 1 1 53 53 ASN N N 53 118.591 118.591 117.153 1.438 19604 244 1 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.483 -0.066 19604 245 1 . 1 1 53 53 ASN CA C 53 55.905 55.905 55.571 0.334 19604 246 1 . 1 1 53 53 ASN CB C 53 37.991 37.991 38.035 -0.044 19604 247 1 . 1 1 53 53 ASN H H 53 8.786 8.786 8.139 0.647 19604 248 1 . 1 1 54 54 GLU N N 54 115.327 115.327 117.884 -2.557 19604 249 1 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.132 -0.084 19604 250 1 . 1 1 54 54 GLU CA C 54 59.077 59.077 58.510 0.567 19604 251 1 . 1 1 54 54 GLU CB C 54 30.925 30.925 29.922 1.003 19604 252 1 . 1 1 54 54 GLU H H 54 7.368 7.368 7.812 -0.444 19604 253 1 . 1 1 55 55 VAL N N 55 111.285 111.285 110.597 0.688 19604 254 1 . 1 1 55 55 VAL HA H 55 4.227 4.227 4.166 0.061 19604 255 1 . 1 1 55 55 VAL CA C 55 60.832 60.832 61.304 -0.472 19604 256 1 . 1 1 55 55 VAL CB C 55 33.316 33.316 31.864 1.452 19604 257 1 . 1 1 55 55 VAL H H 55 7.133 7.133 7.243 -0.110 19604 258 1 . 1 1 56 56 ASP N N 56 121.291 121.291 121.712 -0.421 19604 259 1 . 1 1 56 56 ASP HA H 56 4.468 4.468 4.825 -0.357 19604 260 1 . 1 1 56 56 ASP CA C 56 53.700 53.700 53.628 0.072 19604 261 1 . 1 1 56 56 ASP CB C 56 40.583 40.583 40.409 0.174 19604 262 1 . 1 1 56 56 ASP H H 56 7.567 7.567 7.593 -0.026 19604 263 1 . 1 1 57 57 ALA N N 57 131.432 131.432 130.080 1.352 19604 264 1 . 1 1 57 57 ALA HA H 57 4.229 4.229 4.175 0.054 19604 265 1 . 1 1 57 57 ALA CA C 57 54.355 54.355 53.759 0.596 19604 266 1 . 1 1 57 57 ALA CB C 57 19.695 19.695 19.878 -0.183 19604 267 1 . 1 1 57 57 ALA H H 57 8.064 8.064 8.395 -0.331 19604 268 1 . 1 1 58 58 ASP N N 58 114.063 114.063 116.391 -2.328 19604 269 1 . 1 1 58 58 ASP HA H 58 4.637 4.637 4.589 0.048 19604 270 1 . 1 1 58 58 ASP CA C 58 52.768 52.768 53.481 -0.713 19604 271 1 . 1 1 58 58 ASP CB C 58 39.848 39.848 40.665 -0.817 19604 272 1 . 1 1 58 58 ASP H H 58 8.211 8.211 8.221 -0.010 19604 273 1 . 1 1 59 59 GLY N N 59 108.646 108.646 109.263 -0.617 19604 274 1 . 1 1 59 59 GLY CA C 59 47.200 47.200 45.924 1.276 19604 275 1 . 1 1 59 59 GLY H H 59 7.584 7.584 7.927 -0.343 19604 276 1 . 1 1 60 60 ASN N N 60 118.886 118.886 118.715 0.171 19604 277 1 . 1 1 60 60 ASN HA H 60 4.620 4.620 4.754 -0.134 19604 278 1 . 1 1 60 60 ASN CA C 60 52.677 52.677 52.319 0.358 19604 279 1 . 1 1 60 60 ASN CB C 60 37.579 37.579 39.731 -2.152 19604 280 1 . 1 1 60 60 ASN H H 60 8.162 8.162 8.658 -0.496 19604 281 1 . 1 1 61 61 GLY N N 61 113.458 113.458 109.994 3.464 19604 282 1 . 1 1 61 61 GLY CA C 61 45.639 45.639 45.441 0.198 19604 283 1 . 1 1 61 61 GLY H H 61 10.568 10.568 9.088 1.480 19604 284 1 . 1 1 62 62 THR N N 62 108.490 108.490 110.124 -1.634 19604 285 1 . 1 1 62 62 THR HA H 62 4.800 4.800 5.082 -0.282 19604 286 1 . 1 1 62 62 THR CA C 62 59.327 59.327 59.866 -0.538 19604 287 1 . 1 1 62 62 THR CB C 62 72.409 72.409 72.444 -0.035 19604 288 1 . 1 1 62 62 THR H H 62 7.643 7.643 8.314 -0.671 19604 289 1 . 1 1 63 63 ILE N N 63 123.350 123.350 122.869 0.481 19604 290 1 . 1 1 63 63 ILE HA H 63 5.214 5.214 4.728 0.486 19604 291 1 . 1 1 63 63 ILE CA C 63 59.051 59.051 60.363 -1.312 19604 292 1 . 1 1 63 63 ILE CB C 63 39.605 39.605 38.501 1.105 19604 293 1 . 1 1 63 63 ILE H H 63 8.544 8.544 8.473 0.071 19604 294 1 . 1 1 64 64 ASP N N 64 128.480 128.480 128.296 0.184 19604 295 1 . 1 1 64 64 ASP HA H 64 5.507 5.507 5.077 0.430 19604 296 1 . 1 1 64 64 ASP CA C 64 51.985 51.985 53.655 -1.670 19604 297 1 . 1 1 64 64 ASP CB C 64 42.203 42.203 42.161 0.042 19604 298 1 . 1 1 64 64 ASP H H 64 8.902 8.902 8.203 0.699 19604 299 1 . 1 1 65 65 PHE N N 65 118.622 118.622 120.273 -1.651 19604 300 1 . 1 1 65 65 PHE HA H 65 3.979 3.979 3.329 0.650 19604 301 1 . 1 1 65 65 PHE CA C 65 63.085 63.085 61.448 1.637 19604 302 1 . 1 1 65 65 PHE CB C 65 35.902 35.902 36.579 -0.677 19604 303 1 . 1 1 65 65 PHE H H 65 8.967 8.967 8.652 0.315 19604 304 1 . 1 1 66 66 PRO HA H 66 3.888 3.888 3.641 0.247 19604 305 1 . 1 1 66 66 PRO CA C 66 66.850 66.850 64.848 2.002 19604 306 1 . 1 1 66 66 PRO CB C 66 30.800 30.800 30.696 0.104 19604 307 1 . 1 1 67 67 GLU N N 67 118.243 118.243 118.987 -0.744 19604 308 1 . 1 1 67 67 GLU HA H 67 3.965 3.965 3.938 0.027 19604 309 1 . 1 1 67 67 GLU CA C 67 59.045 59.045 59.686 -0.641 19604 310 1 . 1 1 67 67 GLU CB C 67 29.874 29.874 28.951 0.924 19604 311 1 . 1 1 67 67 GLU H H 67 8.420 8.420 8.175 0.244 19604 312 1 . 1 1 68 68 PHE N N 68 124.020 124.020 119.637 4.383 19604 313 1 . 1 1 68 68 PHE HA H 68 3.785 3.785 4.291 -0.506 19604 314 1 . 1 1 68 68 PHE CA C 68 61.487 61.487 60.820 0.667 19604 315 1 . 1 1 68 68 PHE CB C 68 40.782 40.782 39.572 1.210 19604 316 1 . 1 1 68 68 PHE H H 68 8.638 8.638 7.553 1.085 19604 317 1 . 1 1 69 69 LEU N N 69 120.062 120.062 120.651 -0.589 19604 318 1 . 1 1 69 69 LEU HA H 69 3.368 3.368 3.865 -0.497 19604 319 1 . 1 1 69 69 LEU CA C 69 57.854 57.854 57.772 0.082 19604 320 1 . 1 1 69 69 LEU CB C 69 41.385 41.385 41.405 -0.020 19604 321 1 . 1 1 69 69 LEU H H 69 8.972 8.972 7.381 1.591 19604 322 1 . 1 1 70 70 THR N N 70 115.488 115.488 114.332 1.156 19604 323 1 . 1 1 70 70 THR HA H 70 3.697 3.697 3.756 -0.059 19604 324 1 . 1 1 70 70 THR CA C 70 66.558 66.558 66.127 0.431 19604 325 1 . 1 1 70 70 THR CB C 70 68.396 68.396 68.557 -0.161 19604 326 1 . 1 1 70 70 THR H H 70 7.855 7.855 8.223 -0.368 19604 327 1 . 1 1 71 71 MET N N 71 119.627 119.627 120.278 -0.651 19604 328 1 . 1 1 71 71 MET HA H 71 3.757 3.757 4.006 -0.249 19604 329 1 . 1 1 71 71 MET CA C 71 58.334 58.334 58.826 -0.492 19604 330 1 . 1 1 71 71 MET CB C 71 30.736 30.736 32.126 -1.390 19604 331 1 . 1 1 71 71 MET H H 71 7.155 7.155 7.321 -0.166 19604 332 1 . 1 1 72 72 MET N N 72 116.046 116.046 116.508 -0.462 19604 333 1 . 1 1 72 72 MET HA H 72 3.977 3.977 4.117 -0.140 19604 334 1 . 1 1 72 72 MET CA C 72 55.138 55.138 57.813 -2.675 19604 335 1 . 1 1 72 72 MET CB C 72 29.103 29.103 32.275 -3.172 19604 336 1 . 1 1 72 72 MET H H 72 7.646 7.646 7.386 0.260 19604 337 1 . 1 1 73 73 ALA N N 73 120.685 120.685 121.462 -0.777 19604 338 1 . 1 1 73 73 ALA HA H 73 4.182 4.182 4.008 0.174 19604 339 1 . 1 1 73 73 ALA CA C 73 53.100 53.100 54.625 -1.525 19604 340 1 . 1 1 73 73 ALA CB C 73 19.292 19.292 18.105 1.187 19604 341 1 . 1 1 73 73 ALA H H 73 8.080 8.080 7.890 0.190 19604 342 1 . 1 1 74 74 ARG N N 74 118.501 118.501 118.577 -0.076 19604 343 1 . 1 1 74 74 ARG HA H 74 4.188 4.188 3.997 0.191 19604 344 1 . 1 1 74 74 ARG CA C 74 56.977 56.977 58.473 -1.496 19604 345 1 . 1 1 74 74 ARG CB C 74 30.517 30.517 29.902 0.615 19604 346 1 . 1 1 74 74 ARG H H 74 7.367 7.367 7.960 -0.593 19604 347 1 . 1 1 76 76 MET HA H 76 4.413 4.413 4.244 0.169 19604 348 1 . 1 1 76 76 MET CA C 76 55.804 55.804 57.384 -1.580 19604 349 1 . 1 1 76 76 MET CB C 76 33.291 33.291 33.054 0.237 19604 350 1 . 1 1 77 77 LYS N N 77 121.563 121.563 117.760 3.803 19604 351 1 . 1 1 77 77 LYS HA H 77 4.321 4.321 4.364 -0.043 19604 352 1 . 1 1 77 77 LYS CA C 77 56.418 56.418 56.286 0.132 19604 353 1 . 1 1 77 77 LYS CB C 77 33.251 33.251 33.848 -0.597 19604 354 1 . 1 1 77 77 LYS H H 77 8.253 8.253 7.650 0.603 19604 355 1 . 1 1 78 78 ASP N N 78 121.953 121.953 119.960 1.993 19604 356 1 . 1 1 78 78 ASP HA H 78 4.618 4.618 4.610 0.008 19604 357 1 . 1 1 78 78 ASP CA C 78 54.855 54.855 54.491 0.364 19604 358 1 . 1 1 78 78 ASP CB C 78 41.116 41.116 41.495 -0.379 19604 359 1 . 1 1 78 78 ASP H H 78 8.362 8.362 8.425 -0.063 19604 360 1 . 1 1 79 79 THR N N 79 113.276 113.276 113.982 -0.706 19604 361 1 . 1 1 79 79 THR HA H 79 4.305 4.305 4.451 -0.146 19604 362 1 . 1 1 79 79 THR CA C 79 62.124 62.124 62.436 -0.312 19604 363 1 . 1 1 79 79 THR CB C 79 69.634 69.634 69.549 0.085 19604 364 1 . 1 1 79 79 THR H H 79 8.014 8.014 8.137 -0.123 19604 365 1 . 1 1 80 80 ASP N N 80 122.850 122.850 121.977 0.873 19604 366 1 . 1 1 80 80 ASP HA H 80 4.675 4.675 4.628 0.047 19604 367 1 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.220 -0.565 19604 368 1 . 1 1 80 80 ASP CB C 80 41.424 41.424 41.108 0.316 19604 369 1 . 1 1 80 80 ASP H H 80 8.316 8.316 8.421 -0.105 19604 370 1 . 1 1 81 81 SER N N 81 116.864 116.864 116.391 0.473 19604 371 1 . 1 1 81 81 SER HA H 81 4.429 4.429 4.156 0.273 19604 372 1 . 1 1 81 81 SER CA C 81 59.337 59.337 61.348 -2.011 19604 373 1 . 1 1 81 81 SER CB C 81 63.672 63.672 63.040 0.632 19604 374 1 . 1 1 81 81 SER H H 81 8.391 8.391 8.325 0.066 19604 375 1 . 1 1 82 82 GLU N N 82 122.561 122.561 120.821 1.740 19604 376 1 . 1 1 82 82 GLU HA H 82 4.073 4.073 4.071 0.002 19604 377 1 . 1 1 82 82 GLU CA C 82 59.179 59.179 59.235 -0.056 19604 378 1 . 1 1 82 82 GLU CB C 82 29.512 29.512 29.290 0.222 19604 379 1 . 1 1 82 82 GLU H H 82 8.479 8.479 8.539 -0.060 19604 380 1 . 1 1 83 83 GLU N N 83 119.348 119.348 119.641 -0.293 19604 381 1 . 1 1 83 83 GLU HA H 83 4.044 4.044 4.053 -0.009 19604 382 1 . 1 1 83 83 GLU CA C 83 59.647 59.647 59.453 0.194 19604 383 1 . 1 1 83 83 GLU CB C 83 29.531 29.531 29.330 0.202 19604 384 1 . 1 1 83 83 GLU H H 83 8.279 8.279 8.234 0.045 19604 385 1 . 1 1 84 84 GLU N N 84 118.810 118.810 119.332 -0.522 19604 386 1 . 1 1 84 84 GLU HA H 84 4.113 4.113 4.152 -0.039 19604 387 1 . 1 1 84 84 GLU CA C 84 59.477 59.477 59.160 0.317 19604 388 1 . 1 1 84 84 GLU CB C 84 29.669 29.669 29.385 0.284 19604 389 1 . 1 1 84 84 GLU H H 84 8.062 8.062 7.955 0.107 19604 390 1 . 1 1 85 85 ILE N N 85 122.019 122.019 120.097 1.922 19604 391 1 . 1 1 85 85 ILE HA H 85 3.918 3.918 4.023 -0.105 19604 392 1 . 1 1 85 85 ILE CA C 85 65.327 65.327 65.270 0.057 19604 393 1 . 1 1 85 85 ILE CB C 85 37.428 37.428 37.946 -0.518 19604 394 1 . 1 1 85 85 ILE H H 85 8.008 8.008 7.840 0.168 19604 395 1 . 1 1 86 86 ARG N N 86 121.851 121.851 119.940 1.911 19604 396 1 . 1 1 86 86 ARG HA H 86 4.166 4.166 4.119 0.047 19604 397 1 . 1 1 86 86 ARG CA C 86 60.026 60.026 59.809 0.217 19604 398 1 . 1 1 86 86 ARG CB C 86 29.967 29.967 30.011 -0.044 19604 399 1 . 1 1 86 86 ARG H H 86 8.446 8.446 8.133 0.313 19604 400 1 . 1 1 87 87 GLU N N 87 118.621 118.621 119.354 -0.733 19604 401 1 . 1 1 87 87 GLU HA H 87 4.110 4.110 4.067 0.043 19604 402 1 . 1 1 87 87 GLU CA C 87 59.107 59.107 59.227 -0.120 19604 403 1 . 1 1 87 87 GLU CB C 87 29.426 29.426 29.488 -0.062 19604 404 1 . 1 1 87 87 GLU H H 87 8.149 8.149 8.150 -0.001 19604 405 1 . 1 1 88 88 ALA N N 88 121.741 121.741 122.257 -0.516 19604 406 1 . 1 1 88 88 ALA HA H 88 4.025 4.025 3.720 0.305 19604 407 1 . 1 1 88 88 ALA CA C 88 54.986 54.986 54.794 0.192 19604 408 1 . 1 1 88 88 ALA CB C 88 17.724 17.724 18.251 -0.526 19604 409 1 . 1 1 88 88 ALA H H 88 7.880 7.880 7.833 0.047 19604 410 1 . 1 1 89 89 PHE N N 89 118.057 118.057 119.170 -1.113 19604 411 1 . 1 1 89 89 PHE HA H 89 3.149 3.149 3.790 -0.641 19604 412 1 . 1 1 89 89 PHE CA C 89 62.366 62.366 61.449 0.917 19604 413 1 . 1 1 89 89 PHE CB C 89 39.337 39.337 39.024 0.314 19604 414 1 . 1 1 89 89 PHE H H 89 8.463 8.463 8.202 0.261 19604 415 1 . 1 1 90 90 ARG N N 90 115.723 115.723 118.495 -2.772 19604 416 1 . 1 1 90 90 ARG HA H 90 3.892 3.892 3.939 -0.047 19604 417 1 . 1 1 90 90 ARG CA C 90 58.888 58.888 58.959 -0.071 19604 418 1 . 1 1 90 90 ARG CB C 90 30.406 30.406 29.945 0.461 19604 419 1 . 1 1 90 90 ARG H H 90 7.775 7.775 7.617 0.158 19604 420 1 . 1 1 91 91 VAL N N 91 118.161 118.161 117.433 0.728 19604 421 1 . 1 1 91 91 VAL HA H 91 3.524 3.524 3.664 -0.140 19604 422 1 . 1 1 91 91 VAL CA C 91 65.596 65.596 65.071 0.525 19604 423 1 . 1 1 91 91 VAL CB C 91 31.544 31.544 31.431 0.113 19604 424 1 . 1 1 91 91 VAL H H 91 7.484 7.484 7.401 0.083 19604 425 1 . 1 1 92 92 PHE N N 92 117.398 117.398 114.976 2.422 19604 426 1 . 1 1 92 92 PHE HA H 92 4.278 4.278 4.342 -0.064 19604 427 1 . 1 1 92 92 PHE CA C 92 58.681 58.681 57.351 1.330 19604 428 1 . 1 1 92 92 PHE CB C 92 39.854 39.854 38.746 1.108 19604 429 1 . 1 1 92 92 PHE H H 92 7.544 7.544 7.223 0.321 19604 430 1 . 1 1 93 93 ASP N N 93 117.503 117.503 120.073 -2.570 19604 431 1 . 1 1 93 93 ASP HA H 93 4.541 4.541 4.489 0.052 19604 432 1 . 1 1 93 93 ASP CA C 93 52.182 52.182 53.985 -1.803 19604 433 1 . 1 1 93 93 ASP CB C 93 38.427 38.427 39.928 -1.501 19604 434 1 . 1 1 93 93 ASP H H 93 7.963 7.963 7.748 0.215 19604 435 1 . 1 1 94 94 LYS N N 94 125.976 125.976 124.928 1.048 19604 436 1 . 1 1 94 94 LYS HA H 94 3.906 3.906 4.100 -0.194 19604 437 1 . 1 1 94 94 LYS CA C 94 59.062 59.062 57.965 1.097 19604 438 1 . 1 1 94 94 LYS CB C 94 33.033 33.033 32.767 0.266 19604 439 1 . 1 1 94 94 LYS H H 94 7.585 7.585 8.095 -0.510 19604 440 1 . 1 1 95 95 ASP N N 95 114.100 114.100 115.403 -1.303 19604 441 1 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.498 0.056 19604 442 1 . 1 1 95 95 ASP CA C 95 53.066 53.066 53.752 -0.686 19604 443 1 . 1 1 95 95 ASP CB C 95 39.749 39.749 40.272 -0.523 19604 444 1 . 1 1 95 95 ASP H H 95 8.186 8.186 7.997 0.189 19604 445 1 . 1 1 96 96 GLY N N 96 109.383 109.383 108.167 1.216 19604 446 1 . 1 1 96 96 GLY CA C 96 47.148 47.148 46.075 1.073 19604 447 1 . 1 1 96 96 GLY H H 96 7.809 7.809 7.777 0.032 19604 448 1 . 1 1 97 97 ASN N N 97 119.744 119.744 119.203 0.541 19604 449 1 . 1 1 97 97 ASN HA H 97 4.646 4.646 4.650 -0.004 19604 450 1 . 1 1 97 97 ASN CA C 97 52.655 52.655 52.817 -0.162 19604 451 1 . 1 1 97 97 ASN CB C 97 38.189 38.189 39.009 -0.820 19604 452 1 . 1 1 97 97 ASN H H 97 8.336 8.336 8.555 -0.219 19604 453 1 . 1 1 98 98 GLY N N 98 112.937 112.937 107.594 5.343 19604 454 1 . 1 1 98 98 GLY CA C 98 45.032 45.032 45.562 -0.529 19604 455 1 . 1 1 98 98 GLY H H 98 10.653 10.653 8.680 1.973 19604 456 1 . 1 1 99 99 TYR N N 99 115.956 115.956 117.897 -1.941 19604 457 1 . 1 1 99 99 TYR HA H 99 5.061 5.061 5.024 0.037 19604 458 1 . 1 1 99 99 TYR CA C 99 56.189 56.189 57.656 -1.467 19604 459 1 . 1 1 99 99 TYR CB C 99 43.044 43.044 42.461 0.583 19604 460 1 . 1 1 99 99 TYR H H 99 7.630 7.630 8.471 -0.841 19604 461 1 . 1 1 100 100 ILE N N 100 127.360 127.360 123.455 3.905 19604 462 1 . 1 1 100 100 ILE HA H 100 4.784 4.784 4.609 0.175 19604 463 1 . 1 1 100 100 ILE CA C 100 61.019 61.019 60.259 0.761 19604 464 1 . 1 1 100 100 ILE CB C 100 38.985 38.985 40.325 -1.340 19604 465 1 . 1 1 100 100 ILE H H 100 10.174 10.174 9.043 1.131 19604 466 1 . 1 1 101 101 SER N N 101 124.117 124.117 122.576 1.541 19604 467 1 . 1 1 101 101 SER HA H 101 4.885 4.885 4.930 -0.045 19604 468 1 . 1 1 101 101 SER CA C 101 55.722 55.722 55.958 -0.236 19604 469 1 . 1 1 101 101 SER CB C 101 66.631 66.631 66.173 0.458 19604 470 1 . 1 1 101 101 SER H H 101 8.977 8.977 8.363 0.614 19604 471 1 . 1 1 102 102 ALA N N 102 123.057 123.057 123.305 -0.248 19604 472 1 . 1 1 102 102 ALA HA H 102 3.924 3.924 4.143 -0.219 19604 473 1 . 1 1 102 102 ALA CA C 102 55.954 55.954 55.119 0.835 19604 474 1 . 1 1 102 102 ALA CB C 102 17.891 17.891 18.439 -0.547 19604 475 1 . 1 1 102 102 ALA H H 102 9.261 9.261 8.959 0.302 19604 476 1 . 1 1 103 103 ALA N N 103 118.685 118.685 121.175 -2.490 19604 477 1 . 1 1 103 103 ALA HA H 103 4.024 4.024 4.033 -0.009 19604 478 1 . 1 1 103 103 ALA CA C 103 55.219 55.219 54.741 0.478 19604 479 1 . 1 1 103 103 ALA CB C 103 18.315 18.315 18.463 -0.148 19604 480 1 . 1 1 103 103 ALA H H 103 8.271 8.271 7.879 0.392 19604 481 1 . 1 1 104 104 GLU N N 104 119.737 119.737 119.013 0.724 19604 482 1 . 1 1 104 104 GLU HA H 104 4.037 4.037 4.055 -0.018 19604 483 1 . 1 1 104 104 GLU CA C 104 59.250 59.250 58.963 0.287 19604 484 1 . 1 1 104 104 GLU CB C 104 29.216 29.216 29.735 -0.519 19604 485 1 . 1 1 104 104 GLU H H 104 7.857 7.857 7.534 0.323 19604 486 1 . 1 1 105 105 LEU N N 105 122.037 122.037 120.735 1.302 19604 487 1 . 1 1 105 105 LEU HA H 105 4.036 4.036 3.906 0.130 19604 488 1 . 1 1 105 105 LEU CA C 105 58.052 58.052 57.918 0.134 19604 489 1 . 1 1 105 105 LEU CB C 105 42.114 42.114 41.848 0.266 19604 490 1 . 1 1 105 105 LEU H H 105 8.685 8.685 8.280 0.405 19604 491 1 . 1 1 106 106 ARG N N 106 118.484 118.484 118.018 0.466 19604 492 1 . 1 1 106 106 ARG HA H 106 3.708 3.708 3.842 -0.134 19604 493 1 . 1 1 106 106 ARG CA C 106 60.030 60.030 59.843 0.187 19604 494 1 . 1 1 106 106 ARG CB C 106 30.317 30.317 29.931 0.386 19604 495 1 . 1 1 106 106 ARG H H 106 8.682 8.682 7.791 0.891 19604 496 1 . 1 1 107 107 HIS N N 107 118.917 118.917 118.140 0.777 19604 497 1 . 1 1 107 107 HIS HA H 107 4.296 4.296 4.356 -0.060 19604 498 1 . 1 1 107 107 HIS CA C 107 59.842 59.842 59.348 0.494 19604 499 1 . 1 1 107 107 HIS CB C 107 30.576 30.576 29.491 1.084 19604 500 1 . 1 1 107 107 HIS H H 107 7.803 7.803 7.784 0.019 19604 501 1 . 1 1 108 108 VAL N N 108 119.662 119.662 119.388 0.274 19604 502 1 . 1 1 108 108 VAL HA H 108 3.458 3.458 3.671 -0.213 19604 503 1 . 1 1 108 108 VAL CA C 108 66.452 66.452 66.005 0.447 19604 504 1 . 1 1 108 108 VAL CB C 108 31.593 31.593 31.348 0.245 19604 505 1 . 1 1 108 108 VAL H H 108 7.887 7.887 7.618 0.269 19604 506 1 . 1 1 109 109 MET N N 109 115.981 115.981 118.306 -2.325 19604 507 1 . 1 1 109 109 MET HA H 109 4.296 4.296 4.178 0.118 19604 508 1 . 1 1 109 109 MET CA C 109 57.062 57.062 57.880 -0.818 19604 509 1 . 1 1 109 109 MET H H 109 8.128 8.128 7.906 0.222 19604 510 1 . 1 1 110 110 THR N N 110 116.866 116.866 113.833 3.033 19604 511 1 . 1 1 110 110 THR HA H 110 4.080 4.080 3.957 0.123 19604 512 1 . 1 1 110 110 THR CA C 110 66.402 66.402 65.937 0.465 19604 513 1 . 1 1 110 110 THR CB C 110 68.574 68.574 68.147 0.427 19604 514 1 . 1 1 110 110 THR H H 110 8.302 8.302 8.184 0.118 19604 515 1 . 1 1 111 111 ASN N N 111 122.811 122.811 119.211 3.600 19604 516 1 . 1 1 111 111 ASN HA H 111 4.445 4.445 4.518 -0.073 19604 517 1 . 1 1 111 111 ASN CA C 111 55.811 55.811 55.122 0.689 19604 518 1 . 1 1 111 111 ASN CB C 111 37.975 37.975 38.322 -0.347 19604 519 1 . 1 1 111 111 ASN H H 111 7.849 7.849 7.606 0.243 19604 520 1 . 1 1 112 112 LEU N N 112 118.869 118.869 118.782 0.086 19604 521 1 . 1 1 112 112 LEU HA H 112 4.345 4.345 4.294 0.051 19604 522 1 . 1 1 112 112 LEU CA C 112 55.091 55.091 55.833 -0.742 19604 523 1 . 1 1 112 112 LEU CB C 112 42.080 42.080 42.505 -0.425 19604 524 1 . 1 1 112 112 LEU H H 112 7.666 7.666 7.611 0.055 19604 525 1 . 1 1 113 113 GLY N N 113 107.124 107.124 106.352 0.772 19604 526 1 . 1 1 113 113 GLY CA C 113 45.416 45.416 44.492 0.924 19604 527 1 . 1 1 113 113 GLY H H 113 7.818 7.818 7.609 0.208 19604 528 1 . 1 1 114 114 GLU N N 114 120.113 120.113 120.858 -0.745 19604 529 1 . 1 1 114 114 GLU HA H 114 4.427 4.427 4.547 -0.120 19604 530 1 . 1 1 114 114 GLU CA C 114 54.596 54.596 54.428 0.168 19604 531 1 . 1 1 114 114 GLU CB C 114 30.710 30.710 31.414 -0.704 19604 532 1 . 1 1 114 114 GLU H H 114 7.895 7.895 7.806 0.089 19604 533 1 . 1 1 115 115 LYS N N 115 124.920 124.920 125.288 -0.368 19604 534 1 . 1 1 115 115 LYS HA H 115 4.380 4.380 4.272 0.108 19604 535 1 . 1 1 115 115 LYS CA C 115 55.393 55.393 56.659 -1.266 19604 536 1 . 1 1 115 115 LYS CB C 115 32.045 32.045 32.380 -0.335 19604 537 1 . 1 1 115 115 LYS H H 115 8.583 8.583 8.541 0.042 19604 538 1 . 1 1 116 116 LEU N N 116 124.979 124.979 125.202 -0.223 19604 539 1 . 1 1 116 116 LEU HA H 116 4.767 4.767 4.791 -0.024 19604 540 1 . 1 1 116 116 LEU CA C 116 54.081 54.081 53.516 0.565 19604 541 1 . 1 1 116 116 LEU CB C 116 44.532 44.532 45.279 -0.747 19604 542 1 . 1 1 116 116 LEU H H 116 8.082 8.082 8.202 -0.120 19604 543 1 . 1 1 117 117 THR N N 117 114.448 114.448 112.050 2.398 19604 544 1 . 1 1 117 117 THR HA H 117 4.452 4.452 4.555 -0.103 19604 545 1 . 1 1 117 117 THR CA C 117 60.690 60.690 59.941 0.749 19604 546 1 . 1 1 117 117 THR CB C 117 71.051 71.051 71.127 -0.076 19604 547 1 . 1 1 117 117 THR H H 117 9.172 9.172 8.194 0.978 19604 548 1 . 1 1 118 118 ASP N N 118 121.175 121.175 120.865 0.310 19604 549 1 . 1 1 118 118 ASP HA H 118 4.213 4.213 4.306 -0.093 19604 550 1 . 1 1 118 118 ASP CA C 118 57.992 57.992 58.236 -0.244 19604 551 1 . 1 1 118 118 ASP CB C 118 39.670 39.670 40.570 -0.900 19604 552 1 . 1 1 118 118 ASP H H 118 8.889 8.889 8.807 0.082 19604 553 1 . 1 1 119 119 GLU N N 119 119.386 119.386 119.014 0.372 19604 554 1 . 1 1 119 119 GLU HA H 119 4.088 4.088 4.098 -0.010 19604 555 1 . 1 1 119 119 GLU CA C 119 60.013 60.013 58.824 1.189 19604 556 1 . 1 1 119 119 GLU CB C 119 29.172 29.172 29.570 -0.398 19604 557 1 . 1 1 119 119 GLU H H 119 8.665 8.665 8.240 0.425 19604 558 1 . 1 1 120 120 GLU N N 120 120.564 120.564 119.832 0.732 19604 559 1 . 1 1 120 120 GLU HA H 120 3.982 3.982 4.093 -0.111 19604 560 1 . 1 1 120 120 GLU CA C 120 59.252 59.252 59.094 0.158 19604 561 1 . 1 1 120 120 GLU CB C 120 30.760 30.760 29.511 1.249 19604 562 1 . 1 1 120 120 GLU H H 120 7.715 7.715 7.486 0.229 19604 563 1 . 1 1 121 121 VAL N N 121 120.955 120.955 118.854 2.101 19604 564 1 . 1 1 121 121 VAL HA H 121 3.456 3.456 3.695 -0.239 19604 565 1 . 1 1 121 121 VAL CA C 121 66.881 66.881 66.119 0.762 19604 566 1 . 1 1 121 121 VAL CB C 121 31.330 31.330 31.214 0.116 19604 567 1 . 1 1 121 121 VAL H H 121 8.050 8.050 8.080 -0.030 19604 568 1 . 1 1 122 122 ASP N N 122 120.016 120.016 119.938 0.078 19604 569 1 . 1 1 122 122 ASP HA H 122 4.363 4.363 4.273 0.090 19604 570 1 . 1 1 122 122 ASP CA C 122 57.714 57.714 57.861 -0.147 19604 571 1 . 1 1 122 122 ASP CB C 122 40.453 40.453 40.749 -0.296 19604 572 1 . 1 1 122 122 ASP H H 122 7.980 7.980 7.738 0.242 19604 573 1 . 1 1 123 123 GLU N N 123 119.913 119.913 119.036 0.877 19604 574 1 . 1 1 123 123 GLU HA H 123 4.045 4.045 4.042 0.003 19604 575 1 . 1 1 123 123 GLU CA C 123 59.305 59.305 59.066 0.239 19604 576 1 . 1 1 123 123 GLU CB C 123 29.279 29.279 29.405 -0.126 19604 577 1 . 1 1 123 123 GLU H H 123 8.033 8.033 7.957 0.076 19604 578 1 . 1 1 124 124 MET N N 124 119.642 119.642 118.149 1.493 19604 579 1 . 1 1 124 124 MET HA H 124 4.175 4.175 4.128 0.047 19604 580 1 . 1 1 124 124 MET CA C 124 60.420 60.420 59.297 1.123 19604 581 1 . 1 1 124 124 MET CB C 124 33.408 33.408 32.781 0.627 19604 582 1 . 1 1 124 124 MET H H 124 7.930 7.930 7.591 0.339 19604 583 1 . 1 1 125 125 ILE N N 125 119.663 119.663 119.416 0.246 19604 584 1 . 1 1 125 125 ILE HA H 125 3.709 3.709 3.711 -0.002 19604 585 1 . 1 1 125 125 ILE CA C 125 64.339 64.339 64.105 0.234 19604 586 1 . 1 1 125 125 ILE CB C 125 36.335 36.335 36.527 -0.192 19604 587 1 . 1 1 125 125 ILE H H 125 8.147 8.147 7.976 0.171 19604 588 1 . 1 1 126 126 ARG N N 126 118.998 118.998 118.900 0.098 19604 589 1 . 1 1 126 126 ARG HA H 126 4.072 4.072 3.966 0.106 19604 590 1 . 1 1 126 126 ARG CA C 126 59.828 59.828 59.344 0.484 19604 591 1 . 1 1 126 126 ARG CB C 126 30.331 30.331 30.175 0.156 19604 592 1 . 1 1 126 126 ARG H H 126 8.431 8.431 8.202 0.229 19604 593 1 . 1 1 127 127 GLU N N 127 116.058 116.058 118.508 -2.450 19604 594 1 . 1 1 127 127 GLU HA H 127 3.984 3.984 4.163 -0.179 19604 595 1 . 1 1 127 127 GLU CA C 127 58.805 58.805 58.555 0.250 19604 596 1 . 1 1 127 127 GLU CB C 127 29.806 29.806 29.788 0.017 19604 597 1 . 1 1 127 127 GLU H H 127 7.899 7.899 7.717 0.182 19604 598 1 . 1 1 128 128 ALA N N 128 117.702 117.702 119.505 -1.803 19604 599 1 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.153 0.300 19604 600 1 . 1 1 128 128 ALA CA C 128 51.720 51.720 53.314 -1.594 19604 601 1 . 1 1 128 128 ALA CB C 128 22.386 22.386 19.374 3.012 19604 602 1 . 1 1 128 128 ALA H H 128 7.222 7.222 7.479 -0.257 19604 603 1 . 1 1 129 129 ASP N N 129 117.996 117.996 119.429 -1.433 19604 604 1 . 1 1 129 129 ASP HA H 129 4.497 4.497 4.788 -0.291 19604 605 1 . 1 1 129 129 ASP CA C 129 54.336 54.336 54.014 0.322 19604 606 1 . 1 1 129 129 ASP CB C 129 40.682 40.682 39.641 1.041 19604 607 1 . 1 1 129 129 ASP H H 129 7.947 7.947 8.031 -0.084 19604 608 1 . 1 1 130 130 ILE N N 130 128.199 128.199 124.277 3.921 19604 609 1 . 1 1 130 130 ILE HA H 130 3.908 3.908 3.858 0.050 19604 610 1 . 1 1 130 130 ILE CA C 130 63.433 63.433 63.574 -0.141 19604 611 1 . 1 1 130 130 ILE CB C 130 38.738 38.738 38.547 0.191 19604 612 1 . 1 1 130 130 ILE H H 130 8.399 8.399 8.075 0.324 19604 613 1 . 1 1 131 131 ASP N N 131 116.628 116.628 117.587 -0.959 19604 614 1 . 1 1 131 131 ASP HA H 131 4.513 4.513 4.500 0.013 19604 615 1 . 1 1 131 131 ASP CA C 131 53.828 53.828 53.816 0.012 19604 616 1 . 1 1 131 131 ASP CB C 131 39.989 39.989 40.383 -0.394 19604 617 1 . 1 1 131 131 ASP H H 131 8.258 8.258 8.151 0.107 19604 618 1 . 1 1 132 132 GLY N N 132 108.616 108.616 108.566 0.050 19604 619 1 . 1 1 132 132 GLY CA C 132 47.527 47.527 46.027 1.500 19604 620 1 . 1 1 132 132 GLY H H 132 7.559 7.559 7.688 -0.129 19604 621 1 . 1 1 133 133 ASP N N 133 120.901 120.901 119.729 1.172 19604 622 1 . 1 1 133 133 ASP HA H 133 4.478 4.478 4.568 -0.090 19604 623 1 . 1 1 133 133 ASP CA C 133 53.653 53.653 53.647 0.006 19604 624 1 . 1 1 133 133 ASP CB C 133 40.271 40.271 41.426 -1.155 19604 625 1 . 1 1 133 133 ASP H H 133 8.340 8.340 8.731 -0.391 19604 626 1 . 1 1 134 134 GLY N N 134 112.918 112.918 108.958 3.960 19604 627 1 . 1 1 134 134 GLY CA C 134 45.868 45.868 44.968 0.900 19604 628 1 . 1 1 134 134 GLY H H 134 10.366 10.366 8.822 1.544 19604 629 1 . 1 1 135 135 GLN N N 135 115.297 115.297 117.757 -2.460 19604 630 1 . 1 1 135 135 GLN HA H 135 4.917 4.917 4.657 0.260 19604 631 1 . 1 1 135 135 GLN CA C 135 53.227 53.227 54.861 -1.634 19604 632 1 . 1 1 135 135 GLN CB C 135 32.342 32.342 33.416 -1.073 19604 633 1 . 1 1 135 135 GLN H H 135 8.012 8.012 8.579 -0.567 19604 634 1 . 1 1 136 136 VAL N N 136 125.463 125.463 121.933 3.530 19604 635 1 . 1 1 136 136 VAL HA H 136 5.218 5.218 5.007 0.211 19604 636 1 . 1 1 136 136 VAL CA C 136 61.663 61.663 60.515 1.148 19604 637 1 . 1 1 136 136 VAL CB C 136 33.758 33.758 32.317 1.441 19604 638 1 . 1 1 136 136 VAL H H 136 9.133 9.133 8.695 0.438 19604 639 1 . 1 1 137 137 ASN N N 137 129.402 129.402 126.310 3.092 19604 640 1 . 1 1 137 137 ASN HA H 137 5.299 5.299 4.664 0.635 19604 641 1 . 1 1 137 137 ASN CA C 137 51.026 51.026 50.809 0.217 19604 642 1 . 1 1 137 137 ASN CB C 137 38.285 38.285 39.587 -1.302 19604 643 1 . 1 1 137 137 ASN H H 137 9.634 9.634 8.410 1.224 19604 644 1 . 1 1 138 138 TYR N N 138 118.585 118.585 121.986 -3.401 19604 645 1 . 1 1 138 138 TYR HA H 138 3.342 3.342 3.463 -0.121 19604 646 1 . 1 1 138 138 TYR CA C 138 62.517 62.517 63.006 -0.489 19604 647 1 . 1 1 138 138 TYR CB C 138 37.696 37.696 38.243 -0.547 19604 648 1 . 1 1 138 138 TYR H H 138 8.400 8.400 8.608 -0.208 19604 649 1 . 1 1 139 139 GLU N N 139 118.692 118.692 118.861 -0.169 19604 650 1 . 1 1 139 139 GLU HA H 139 3.618 3.618 3.742 -0.124 19604 651 1 . 1 1 139 139 GLU CA C 139 60.314 60.314 59.832 0.482 19604 652 1 . 1 1 139 139 GLU CB C 139 29.000 29.000 29.113 -0.113 19604 653 1 . 1 1 139 139 GLU H H 139 8.095 8.095 8.632 -0.537 19604 654 1 . 1 1 140 140 GLU N N 140 119.980 119.980 119.129 0.851 19604 655 1 . 1 1 140 140 GLU HA H 140 3.905 3.905 4.080 -0.175 19604 656 1 . 1 1 140 140 GLU CA C 140 58.532 58.532 58.915 -0.383 19604 657 1 . 1 1 140 140 GLU CB C 140 29.707 29.707 29.759 -0.052 19604 658 1 . 1 1 140 140 GLU H H 140 8.759 8.759 8.436 0.323 19604 659 1 . 1 1 141 141 PHE N N 141 123.408 123.408 121.595 1.813 19604 660 1 . 1 1 141 141 PHE HA H 141 3.731 3.731 4.153 -0.422 19604 661 1 . 1 1 141 141 PHE CA C 141 61.983 61.983 61.559 0.424 19604 662 1 . 1 1 141 141 PHE CB C 141 40.173 40.173 39.336 0.837 19604 663 1 . 1 1 141 141 PHE H H 141 8.639 8.639 8.446 0.193 19604 664 1 . 1 1 142 142 VAL N N 142 119.839 119.839 119.074 0.764 19604 665 1 . 1 1 142 142 VAL HA H 142 3.044 3.044 3.413 -0.369 19604 666 1 . 1 1 142 142 VAL CA C 142 67.118 67.118 66.458 0.660 19604 667 1 . 1 1 142 142 VAL CB C 142 31.515 31.515 31.018 0.497 19604 668 1 . 1 1 142 142 VAL H H 142 8.781 8.781 8.512 0.269 19604 669 1 . 1 1 143 143 GLN N N 143 118.240 118.240 118.755 -0.515 19604 670 1 . 1 1 143 143 GLN HA H 143 3.802 3.802 3.962 -0.160 19604 671 1 . 1 1 143 143 GLN CA C 143 58.817 58.817 58.590 0.227 19604 672 1 . 1 1 143 143 GLN CB C 143 28.175 28.175 28.606 -0.431 19604 673 1 . 1 1 143 143 GLN H H 143 7.491 7.491 7.456 0.035 19604 674 1 . 1 1 144 144 MET N N 144 116.028 116.028 118.465 -2.437 19604 675 1 . 1 1 144 144 MET HA H 144 4.145 4.145 4.153 -0.008 19604 676 1 . 1 1 144 144 MET CA C 144 55.939 55.939 57.411 -1.472 19604 677 1 . 1 1 144 144 MET CB C 144 31.345 31.345 32.454 -1.109 19604 678 1 . 1 1 144 144 MET H H 144 7.176 7.176 7.823 -0.647 19604 679 1 . 1 1 145 145 MET N N 145 116.272 116.272 117.229 -0.957 19604 680 1 . 1 1 145 145 MET HA H 145 4.301 4.301 4.185 0.116 19604 681 1 . 1 1 145 145 MET CA C 145 55.416 55.416 57.658 -2.241 19604 682 1 . 1 1 145 145 MET CB C 145 32.831 32.831 33.041 -0.210 19604 683 1 . 1 1 145 145 MET H H 145 7.831 7.831 7.712 0.119 19604 684 1 . 1 1 146 146 THR N N 146 110.389 110.389 113.607 -3.218 19604 685 1 . 1 1 146 146 THR HA H 146 4.308 4.308 4.318 -0.010 19604 686 1 . 1 1 146 146 THR CA C 146 61.942 61.942 62.469 -0.527 19604 687 1 . 1 1 146 146 THR CB C 146 70.244 70.244 69.046 1.198 19604 688 1 . 1 1 146 146 THR H H 146 7.474 7.474 7.577 -0.103 19604 689 1 . 1 1 147 147 ALA N N 147 126.864 126.864 124.478 2.386 19604 690 1 . 1 1 147 147 ALA HA H 147 4.208 4.208 4.235 -0.027 19604 691 1 . 1 1 147 147 ALA CA C 147 52.998 52.998 52.642 0.356 19604 692 1 . 1 1 147 147 ALA CB C 147 19.116 19.116 19.714 -0.598 19604 693 1 . 1 1 147 147 ALA H H 147 7.622 7.622 7.411 0.211 19604 stop_ save_