data_25761 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25761 _Entry.PDB_ID 2N6E 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 25761 _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 MET HA H 2 4.380 4.380 4.762 -0.382 25761 2 1 1 . 1 1 2 2 MET CA C 2 52.819 52.819 54.828 -2.009 25761 3 1 1 . 1 1 2 2 MET CB C 2 30.830 30.830 35.237 -4.407 25761 4 1 1 . 1 1 3 3 LEU N N 3 123.960 123.960 124.847 -0.887 25761 5 1 1 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.712 -0.422 25761 6 1 1 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.985 -2.315 25761 7 1 1 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.740 -1.812 25761 8 1 1 . 1 1 3 3 LEU H H 3 8.399 8.399 8.421 -0.022 25761 9 1 1 . 1 1 4 4 LEU N N 4 123.372 123.372 123.655 -0.283 25761 10 1 1 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.399 0.058 25761 11 1 1 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.713 -3.066 25761 12 1 1 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.340 -1.338 25761 13 1 1 . 1 1 4 4 LEU H H 4 8.134 8.134 8.157 -0.023 25761 14 1 1 . 1 1 5 5 SER N N 5 117.439 117.439 111.857 5.582 25761 15 1 1 . 1 1 5 5 SER HA H 5 4.628 4.628 4.385 0.243 25761 16 1 1 . 1 1 5 5 SER CA C 5 56.192 56.192 56.531 -0.339 25761 17 1 1 . 1 1 5 5 SER CB C 5 61.291 61.291 65.920 -4.629 25761 18 1 1 . 1 1 5 5 SER H H 5 8.075 8.075 7.356 0.719 25761 19 1 1 . 1 1 6 6 THR N N 6 121.297 121.297 118.457 2.840 25761 20 1 1 . 1 1 6 6 THR HA H 6 3.713 3.713 3.912 -0.199 25761 21 1 1 . 1 1 6 6 THR CA C 6 64.981 64.981 66.947 -1.966 25761 22 1 1 . 1 1 6 6 THR CB C 6 65.860 65.860 68.589 -2.729 25761 23 1 1 . 1 1 6 6 THR H H 6 7.681 7.681 8.556 -0.875 25761 24 1 1 . 1 1 7 7 ASP N N 7 119.550 119.550 120.365 -0.815 25761 25 1 1 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.783 -0.041 25761 26 1 1 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.948 -1.951 25761 27 1 1 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.779 -3.987 25761 28 1 1 . 1 1 7 7 ASP H H 7 9.044 9.044 7.496 1.548 25761 29 1 1 . 1 1 8 8 ILE N N 8 123.495 123.495 119.695 3.800 25761 30 1 1 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.643 0.078 25761 31 1 1 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.371 -2.396 25761 32 1 1 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.371 -1.244 25761 33 1 1 . 1 1 8 8 ILE H H 8 7.749 7.749 6.944 0.805 25761 34 1 1 . 1 1 9 9 TRP N N 9 124.446 124.446 119.898 4.548 25761 35 1 1 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.370 -0.526 25761 36 1 1 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.625 -0.489 25761 37 1 1 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.478 -1.503 25761 38 1 1 . 1 1 9 9 TRP H H 9 8.232 8.232 7.247 0.985 25761 39 1 1 . 1 1 10 10 VAL N N 10 121.207 121.207 119.106 2.101 25761 40 1 1 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.564 -0.399 25761 41 1 1 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.281 -2.046 25761 42 1 1 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.150 -2.134 25761 43 1 1 . 1 1 10 10 VAL H H 10 9.240 9.240 7.786 1.454 25761 44 1 1 . 1 1 11 11 ALA N N 11 120.679 120.679 122.928 -2.249 25761 45 1 1 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.940 -0.091 25761 46 1 1 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.245 -2.766 25761 47 1 1 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.084 -2.939 25761 48 1 1 . 1 1 11 11 ALA H H 11 7.718 7.718 8.261 -0.543 25761 49 1 1 . 1 1 12 12 ALA N N 12 120.217 120.217 121.788 -1.571 25761 50 1 1 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.050 -0.145 25761 51 1 1 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.912 -2.916 25761 52 1 1 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.339 -3.400 25761 53 1 1 . 1 1 12 12 ALA H H 12 7.642 7.642 7.894 -0.252 25761 54 1 1 . 1 1 13 13 LEU N N 13 122.821 122.821 120.403 2.418 25761 55 1 1 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.039 -0.494 25761 56 1 1 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.974 -2.433 25761 57 1 1 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.893 -3.444 25761 58 1 1 . 1 1 13 13 LEU H H 13 7.320 7.320 8.488 -1.168 25761 59 1 1 . 1 1 14 14 ILE N N 14 117.258 117.258 118.470 -1.212 25761 60 1 1 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.591 -0.539 25761 61 1 1 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.181 -1.976 25761 62 1 1 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.437 -1.660 25761 63 1 1 . 1 1 14 14 ILE H H 14 8.105 8.105 7.562 0.543 25761 64 1 1 . 1 1 15 15 ARG N N 15 117.921 117.921 119.314 -1.393 25761 65 1 1 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.969 -0.009 25761 66 1 1 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.134 -3.066 25761 67 1 1 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.724 -2.422 25761 68 1 1 . 1 1 15 15 ARG H H 15 7.574 7.574 7.729 -0.155 25761 69 1 1 . 1 1 16 16 ARG N N 16 118.635 118.635 118.552 0.083 25761 70 1 1 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.036 -0.335 25761 71 1 1 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.871 -1.217 25761 72 1 1 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.527 -1.396 25761 73 1 1 . 1 1 16 16 ARG H H 16 7.832 7.832 8.154 -0.322 25761 74 1 1 . 1 1 17 17 ALA N N 17 122.335 122.335 123.353 -1.018 25761 75 1 1 . 1 1 17 17 ALA HA H 17 3.052 3.052 3.212 -0.160 25761 76 1 1 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.532 7.828 25761 77 1 1 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.305 -2.752 25761 78 1 1 . 1 1 17 17 ALA H H 17 7.856 7.856 8.280 -0.424 25761 79 1 1 . 1 1 18 18 GLU N N 18 118.223 118.223 119.029 -0.806 25761 80 1 1 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.054 -0.063 25761 81 1 1 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.711 -2.222 25761 82 1 1 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.477 -2.691 25761 83 1 1 . 1 1 18 18 GLU H H 18 8.303 8.303 7.870 0.433 25761 84 1 1 . 1 1 19 19 LEU N N 19 122.454 122.454 119.738 2.716 25761 85 1 1 . 1 1 19 19 LEU HA H 19 4.004 4.004 3.942 0.062 25761 86 1 1 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.877 -2.020 25761 87 1 1 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.961 -2.845 25761 88 1 1 . 1 1 19 19 LEU H H 19 8.402 8.402 7.536 0.866 25761 89 1 1 . 1 1 20 20 GLY N N 20 105.446 105.446 104.340 1.106 25761 90 1 1 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.007 -2.264 25761 91 1 1 . 1 1 20 20 GLY H H 20 7.468 7.468 7.466 0.002 25761 92 1 1 . 1 1 21 21 GLY N N 21 107.714 107.714 108.152 -0.438 25761 93 1 1 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.592 -1.965 25761 94 1 1 . 1 1 21 21 GLY H H 21 7.754 7.754 7.448 0.306 25761 95 1 1 . 1 1 22 22 ALA N N 22 123.725 123.725 120.630 3.095 25761 96 1 1 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.723 -0.059 25761 97 1 1 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.230 -1.992 25761 98 1 1 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.303 -2.020 25761 99 1 1 . 1 1 22 22 ALA H H 22 8.012 8.012 7.341 0.671 25761 100 1 1 . 1 1 23 23 PHE N N 23 117.564 117.564 122.706 -5.142 25761 101 1 1 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.507 0.332 25761 102 1 1 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.704 -2.942 25761 103 1 1 . 1 1 23 23 PHE CB C 23 38.656 38.656 39.490 -0.835 25761 104 1 1 . 1 1 23 23 PHE H H 23 8.128 8.128 8.615 -0.487 25761 105 1 1 . 1 1 24 24 ALA N N 24 128.638 128.638 128.707 -0.069 25761 106 1 1 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.310 0.142 25761 107 1 1 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.735 -3.224 25761 108 1 1 . 1 1 24 24 ALA CB C 24 21.378 21.378 20.706 0.672 25761 109 1 1 . 1 1 24 24 ALA H H 24 8.542 8.542 7.686 0.856 25761 110 1 1 . 1 1 25 25 THR N N 25 115.207 115.207 114.721 0.486 25761 111 1 1 . 1 1 25 25 THR HA H 25 4.394 4.394 4.418 -0.024 25761 112 1 1 . 1 1 25 25 THR CA C 25 57.830 57.830 61.126 -3.296 25761 113 1 1 . 1 1 25 25 THR CB C 25 69.095 69.095 70.431 -1.336 25761 114 1 1 . 1 1 25 25 THR H H 25 9.003 9.003 8.803 0.200 25761 115 1 1 . 1 1 26 26 VAL N N 26 125.712 125.712 123.373 2.339 25761 116 1 1 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.576 -0.394 25761 117 1 1 . 1 1 26 26 VAL CA C 26 60.486 60.486 62.085 -1.599 25761 118 1 1 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.936 -4.388 25761 119 1 1 . 1 1 26 26 VAL H H 26 8.739 8.739 8.465 0.274 25761 120 1 1 . 1 1 27 27 ALA N N 27 134.206 134.206 132.109 2.097 25761 121 1 1 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.559 -0.314 25761 122 1 1 . 1 1 27 27 ALA CA C 27 50.742 50.742 51.921 -1.179 25761 123 1 1 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.780 -4.249 25761 124 1 1 . 1 1 27 27 ALA H H 27 8.412 8.412 9.201 -0.789 25761 125 1 1 . 1 1 28 28 ARG N N 28 117.751 117.751 119.032 -1.281 25761 126 1 1 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.443 -0.235 25761 127 1 1 . 1 1 28 28 ARG CA C 28 53.658 53.658 56.325 -2.667 25761 128 1 1 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.601 -2.601 25761 129 1 1 . 1 1 28 28 ARG H H 28 8.090 8.090 7.549 0.541 25761 130 1 1 . 1 1 29 29 LYS N N 29 128.417 128.417 123.923 4.494 25761 131 1 1 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.156 -0.047 25761 132 1 1 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.284 -1.492 25761 133 1 1 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.462 -2.173 25761 134 1 1 . 1 1 29 29 LYS H H 29 8.536 8.536 8.293 0.243 25761 135 1 1 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.935 -3.077 25761 136 1 1 . 1 1 31 31 ASP N N 31 120.477 120.477 120.386 0.091 25761 137 1 1 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.572 -0.068 25761 138 1 1 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.954 -2.317 25761 139 1 1 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.469 -2.119 25761 140 1 1 . 1 1 31 31 ASP H H 31 8.445 8.445 8.047 0.398 25761 141 1 1 . 1 1 32 32 ALA N N 32 133.865 133.865 129.710 4.155 25761 142 1 1 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.590 -0.221 25761 143 1 1 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.668 -1.381 25761 144 1 1 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.305 -2.250 25761 145 1 1 . 1 1 32 32 ALA H H 32 9.236 9.236 8.910 0.326 25761 146 1 1 . 1 1 33 33 ARG N N 33 113.991 113.991 118.254 -4.263 25761 147 1 1 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.377 0.037 25761 148 1 1 . 1 1 33 33 ARG CA C 33 55.785 55.785 57.585 -1.800 25761 149 1 1 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.587 -3.404 25761 150 1 1 . 1 1 33 33 ARG H H 33 7.913 7.913 8.958 -1.045 25761 151 1 1 . 1 1 34 34 ALA N N 34 120.593 120.593 121.677 -1.084 25761 152 1 1 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.689 -0.015 25761 153 1 1 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.936 -2.400 25761 154 1 1 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.378 -1.564 25761 155 1 1 . 1 1 34 34 ALA H H 34 8.306 8.306 8.258 0.047 25761 156 1 1 . 1 1 35 35 GLY N N 35 107.349 107.349 107.778 -0.429 25761 157 1 1 . 1 1 35 35 GLY CA C 35 44.450 44.450 43.887 0.563 25761 158 1 1 . 1 1 35 35 GLY H H 35 7.715 7.715 7.754 -0.039 25761 159 1 1 . 1 1 36 36 ALA N N 36 127.073 127.073 124.728 2.345 25761 160 1 1 . 1 1 36 36 ALA HA H 36 4.358 4.358 5.158 -0.800 25761 161 1 1 . 1 1 36 36 ALA CA C 36 49.141 49.141 50.660 -1.519 25761 162 1 1 . 1 1 36 36 ALA CB C 36 16.967 16.967 21.169 -4.202 25761 163 1 1 . 1 1 36 36 ALA H H 36 8.935 8.935 8.253 0.682 25761 164 1 1 . 1 1 37 37 VAL N N 37 116.903 116.903 116.889 0.014 25761 165 1 1 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.890 -0.141 25761 166 1 1 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.455 -1.873 25761 167 1 1 . 1 1 37 37 VAL H H 37 7.830 7.830 8.774 -0.944 25761 168 1 1 . 1 1 38 38 LEU N N 38 126.366 126.366 125.173 1.193 25761 169 1 1 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.133 0.398 25761 170 1 1 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.718 -2.843 25761 171 1 1 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.380 -2.410 25761 172 1 1 . 1 1 38 38 LEU H H 38 8.926 8.926 8.639 0.287 25761 173 1 1 . 1 1 39 39 VAL N N 39 121.843 121.843 120.540 1.303 25761 174 1 1 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.842 0.037 25761 175 1 1 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.468 -3.125 25761 176 1 1 . 1 1 39 39 VAL CB C 39 32.192 32.192 33.724 -1.532 25761 177 1 1 . 1 1 39 39 VAL H H 39 8.819 8.819 9.183 -0.364 25761 178 1 1 . 1 1 40 40 LYS N N 40 129.592 129.592 128.129 1.463 25761 179 1 1 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.775 0.504 25761 180 1 1 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.843 -6.851 25761 181 1 1 . 1 1 40 40 LYS CB C 40 31.682 31.682 35.575 -3.893 25761 182 1 1 . 1 1 40 40 LYS H H 40 9.438 9.438 8.922 0.516 25761 183 1 1 . 1 1 41 41 ALA N N 41 131.659 131.659 128.386 3.273 25761 184 1 1 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.097 0.152 25761 185 1 1 . 1 1 41 41 ALA CA C 41 51.816 51.816 51.008 0.808 25761 186 1 1 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.781 -4.136 25761 187 1 1 . 1 1 41 41 ALA H H 41 9.349 9.349 9.098 0.251 25761 188 1 1 . 1 1 42 42 VAL N N 42 127.668 127.668 125.363 2.305 25761 189 1 1 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.332 -0.063 25761 190 1 1 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.756 -2.135 25761 191 1 1 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.001 -2.123 25761 192 1 1 . 1 1 42 42 VAL H H 42 9.517 9.517 8.557 0.960 25761 193 1 1 . 1 1 43 43 ASP N N 43 127.524 127.524 127.640 -0.116 25761 194 1 1 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.108 -0.222 25761 195 1 1 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.671 -3.041 25761 196 1 1 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.256 -2.729 25761 197 1 1 . 1 1 43 43 ASP H H 43 8.821 8.821 8.540 0.281 25761 198 1 1 . 1 1 44 44 ARG N N 44 123.676 123.676 125.339 -1.663 25761 199 1 1 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.265 -0.170 25761 200 1 1 . 1 1 44 44 ARG CA C 44 54.671 54.671 56.626 -1.955 25761 201 1 1 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.924 -1.830 25761 202 1 1 . 1 1 44 44 ARG H H 44 8.435 8.435 7.999 0.436 25761 203 1 1 . 1 1 45 45 ARG N N 45 120.486 120.486 120.347 0.139 25761 204 1 1 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.252 -0.121 25761 205 1 1 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.648 -2.042 25761 206 1 1 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.930 -2.866 25761 207 1 1 . 1 1 45 45 ARG H H 45 8.551 8.551 8.587 -0.036 25761 208 1 1 . 1 1 46 46 GLU N N 46 116.189 116.189 116.623 -0.434 25761 209 1 1 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.308 -0.055 25761 210 1 1 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.608 -3.170 25761 211 1 1 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.483 -1.867 25761 212 1 1 . 1 1 46 46 GLU H H 46 7.918 7.918 8.870 -0.952 25761 213 1 1 . 1 1 47 47 GLY N N 47 108.218 108.218 109.792 -1.574 25761 214 1 1 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.401 -1.431 25761 215 1 1 . 1 1 47 47 GLY H H 47 8.159 8.159 8.066 0.093 25761 216 1 1 . 1 1 48 48 THR N N 48 109.683 109.683 110.996 -1.313 25761 217 1 1 . 1 1 48 48 THR HA H 48 4.639 4.639 4.537 0.102 25761 218 1 1 . 1 1 48 48 THR CA C 48 57.215 57.215 59.895 -2.680 25761 219 1 1 . 1 1 48 48 THR CB C 48 69.275 69.275 71.012 -1.737 25761 220 1 1 . 1 1 48 48 THR H H 48 7.485 7.485 7.879 -0.394 25761 221 1 1 . 1 1 49 49 ALA N N 49 122.571 122.571 121.204 1.367 25761 222 1 1 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.098 0.058 25761 223 1 1 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.648 -3.637 25761 224 1 1 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.216 -1.212 25761 225 1 1 . 1 1 49 49 ALA H H 49 8.530 8.530 8.019 0.511 25761 226 1 1 . 1 1 50 50 ARG N N 50 115.654 115.654 117.666 -2.012 25761 227 1 1 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.662 -0.022 25761 228 1 1 . 1 1 50 50 ARG CA C 50 51.506 51.506 55.537 -4.031 25761 229 1 1 . 1 1 50 50 ARG CB C 50 33.832 33.832 35.254 -1.421 25761 230 1 1 . 1 1 50 50 ARG H H 50 8.168 8.168 8.827 -0.659 25761 231 1 1 . 1 1 51 51 LEU N N 51 122.400 122.400 120.695 1.705 25761 232 1 1 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.667 0.607 25761 233 1 1 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.059 -3.683 25761 234 1 1 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.462 -1.303 25761 235 1 1 . 1 1 51 51 LEU H H 51 8.213 8.213 8.295 -0.082 25761 236 1 1 . 1 1 52 52 PHE N N 52 124.579 124.579 122.351 2.228 25761 237 1 1 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.337 0.213 25761 238 1 1 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.251 -2.577 25761 239 1 1 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.225 -2.606 25761 240 1 1 . 1 1 52 52 PHE H H 52 9.546 9.546 9.217 0.329 25761 241 1 1 . 1 1 53 53 SER N N 53 115.953 115.953 115.483 0.470 25761 242 1 1 . 1 1 53 53 SER HA H 53 5.267 5.267 5.228 0.039 25761 243 1 1 . 1 1 53 53 SER CA C 53 53.513 53.513 56.902 -3.389 25761 244 1 1 . 1 1 53 53 SER CB C 53 64.255 64.255 66.701 -2.446 25761 245 1 1 . 1 1 53 53 SER H H 53 9.727 9.727 9.146 0.581 25761 246 1 1 . 1 1 54 54 GLU N N 54 124.987 124.987 123.567 1.420 25761 247 1 1 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.129 -0.521 25761 248 1 1 . 1 1 54 54 GLU CA C 54 53.317 53.317 56.337 -3.020 25761 249 1 1 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.155 2.522 25761 250 1 1 . 1 1 54 54 GLU H H 54 8.431 8.431 8.086 0.345 25761 251 1 1 . 1 1 55 55 ALA N N 55 127.789 127.789 121.157 6.632 25761 252 1 1 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.482 -0.222 25761 253 1 1 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.213 -3.208 25761 254 1 1 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.105 -1.423 25761 255 1 1 . 1 1 55 55 ALA H H 55 8.430 8.430 7.683 0.747 25761 256 1 1 . 1 1 56 56 THR N N 56 111.341 111.341 111.136 0.205 25761 257 1 1 . 1 1 56 56 THR HA H 56 5.038 5.038 5.444 -0.406 25761 258 1 1 . 1 1 56 56 THR CA C 56 58.078 58.078 60.063 -1.985 25761 259 1 1 . 1 1 56 56 THR CB C 56 68.505 68.505 71.725 -3.220 25761 260 1 1 . 1 1 56 56 THR H H 56 7.923 7.923 8.073 -0.150 25761 261 1 1 . 1 1 57 57 ARG N N 57 124.295 124.295 121.266 3.029 25761 262 1 1 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.735 -0.148 25761 263 1 1 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.832 -2.507 25761 264 1 1 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.915 -1.248 25761 265 1 1 . 1 1 57 57 ARG H H 57 9.054 9.054 8.856 0.198 25761 266 1 1 . 1 1 58 58 GLY N N 58 109.220 109.220 109.505 -0.285 25761 267 1 1 . 1 1 58 58 GLY CA C 58 44.596 44.596 47.117 -2.521 25761 268 1 1 . 1 1 58 58 GLY H H 58 8.706 8.706 8.644 0.062 25761 269 1 1 . 1 1 59 59 ASP N N 59 120.555 120.555 120.634 -0.079 25761 270 1 1 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.618 -0.032 25761 271 1 1 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.381 -3.012 25761 272 1 1 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.982 -3.585 25761 273 1 1 . 1 1 59 59 ASP H H 59 8.194 8.194 8.278 -0.084 25761 274 1 1 . 1 1 60 60 GLY N N 60 107.833 107.833 107.545 0.288 25761 275 1 1 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.125 -2.212 25761 276 1 1 . 1 1 60 60 GLY H H 60 7.999 7.999 7.682 0.317 25761 277 1 1 . 1 1 61 61 GLU N N 61 121.205 121.205 119.657 1.548 25761 278 1 1 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.188 -0.002 25761 279 1 1 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.611 -2.617 25761 280 1 1 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.499 -2.568 25761 281 1 1 . 1 1 61 61 GLU H H 61 7.910 7.910 8.222 -0.312 25761 282 1 1 . 1 1 62 62 ARG N N 62 125.261 125.261 125.608 -0.347 25761 283 1 1 . 1 1 62 62 ARG HA H 62 4.812 4.812 5.314 -0.502 25761 284 1 1 . 1 1 62 62 ARG CA C 62 52.887 52.887 55.089 -2.202 25761 285 1 1 . 1 1 62 62 ARG CB C 62 28.918 28.918 32.543 -3.625 25761 286 1 1 . 1 1 62 62 ARG H H 62 8.219 8.219 8.351 -0.132 25761 287 1 1 . 1 1 63 63 PHE N N 63 120.777 120.777 118.192 2.585 25761 288 1 1 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.864 0.015 25761 289 1 1 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.291 -2.491 25761 290 1 1 . 1 1 63 63 PHE CB C 63 39.163 39.163 41.378 -2.215 25761 291 1 1 . 1 1 63 63 PHE H H 63 8.431 8.431 8.460 -0.029 25761 292 1 1 . 1 1 64 64 TRP N N 64 119.550 119.550 121.219 -1.669 25761 293 1 1 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.199 -0.173 25761 294 1 1 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.741 -2.552 25761 295 1 1 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.948 -0.066 25761 296 1 1 . 1 1 64 64 TRP H H 64 8.914 8.914 8.621 0.293 25761 297 1 1 . 1 1 65 65 MET N N 65 118.324 118.324 121.801 -3.477 25761 298 1 1 . 1 1 65 65 MET HA H 65 5.156 5.156 5.188 -0.032 25761 299 1 1 . 1 1 65 65 MET CA C 65 50.438 50.438 54.566 -4.128 25761 300 1 1 . 1 1 65 65 MET CB C 65 32.296 32.296 34.816 -2.520 25761 301 1 1 . 1 1 65 65 MET H H 65 9.282 9.282 8.831 0.451 25761 302 1 1 . 1 1 66 66 GLN N N 66 119.469 119.469 116.878 2.591 25761 303 1 1 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.815 0.699 25761 304 1 1 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.278 -2.313 25761 305 1 1 . 1 1 66 66 GLN CB C 66 28.500 28.500 27.865 0.635 25761 306 1 1 . 1 1 66 66 GLN H H 66 8.785 8.785 8.808 -0.023 25761 307 1 1 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.383 -0.262 25761 308 1 1 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.246 -2.380 25761 309 1 1 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.008 -1.971 25761 310 1 1 . 1 1 68 68 VAL N N 68 119.433 119.433 120.106 -0.673 25761 311 1 1 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.284 -0.325 25761 312 1 1 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.300 -2.466 25761 313 1 1 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.997 -1.965 25761 314 1 1 . 1 1 68 68 VAL H H 68 8.464 8.464 7.635 0.829 25761 315 1 1 . 1 1 69 69 ARG N N 69 127.119 127.119 127.204 -0.085 25761 316 1 1 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.323 0.013 25761 317 1 1 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.079 -4.267 25761 318 1 1 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.235 -2.312 25761 319 1 1 . 1 1 69 69 ARG H H 69 8.519 8.519 8.812 -0.293 25761 320 1 1 . 1 1 70 70 SER N N 70 115.574 115.574 115.205 0.369 25761 321 1 1 . 1 1 70 70 SER HA H 70 4.598 4.598 4.662 -0.064 25761 322 1 1 . 1 1 70 70 SER CA C 70 54.127 54.127 56.331 -2.204 25761 323 1 1 . 1 1 70 70 SER CB C 70 62.189 62.189 64.645 -2.456 25761 324 1 1 . 1 1 70 70 SER H H 70 7.955 7.955 7.875 0.080 25761 325 1 1 . 1 1 71 71 THR N N 71 114.592 114.592 117.032 -2.440 25761 326 1 1 . 1 1 71 71 THR HA H 71 5.244 5.244 4.531 0.713 25761 327 1 1 . 1 1 71 71 THR CA C 71 58.147 58.147 61.286 -3.139 25761 328 1 1 . 1 1 71 71 THR CB C 71 66.895 66.895 69.059 -2.165 25761 329 1 1 . 1 1 71 71 THR H H 71 8.285 8.285 8.606 -0.321 25761 330 1 1 . 1 1 72 72 PHE N N 72 125.101 125.101 122.633 2.468 25761 331 1 1 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.426 0.515 25761 332 1 1 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.925 -5.790 25761 333 1 1 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.519 -2.588 25761 334 1 1 . 1 1 72 72 PHE H H 72 8.649 8.649 7.825 0.824 25761 335 1 1 . 1 1 73 73 GLU N N 73 129.014 129.014 126.446 2.568 25761 336 1 1 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.959 -0.408 25761 337 1 1 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.940 -2.525 25761 338 1 1 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.433 5.459 25761 339 1 1 . 1 1 73 73 GLU H H 73 9.018 9.018 8.994 0.024 25761 340 1 1 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.159 -2.062 25761 341 1 1 . 1 1 75 75 ASP N N 75 116.246 116.246 120.323 -4.077 25761 342 1 1 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.488 -0.038 25761 343 1 1 . 1 1 75 75 ASP CA C 75 54.550 54.550 57.044 -2.494 25761 344 1 1 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.366 -2.625 25761 345 1 1 . 1 1 75 75 ASP H H 75 7.493 7.493 7.939 -0.446 25761 346 1 1 . 1 1 76 76 LEU N N 76 121.503 121.503 120.424 1.079 25761 347 1 1 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.011 -0.025 25761 348 1 1 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.098 -3.854 25761 349 1 1 . 1 1 76 76 LEU CB C 76 37.239 37.239 41.961 -4.722 25761 350 1 1 . 1 1 76 76 LEU H H 76 7.651 7.651 7.733 -0.082 25761 351 1 1 . 1 1 77 77 ASP N N 77 120.554 120.554 119.605 0.949 25761 352 1 1 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.393 -0.102 25761 353 1 1 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.161 -2.466 25761 354 1 1 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.917 -3.723 25761 355 1 1 . 1 1 77 77 ASP H H 77 8.117 8.117 8.324 -0.207 25761 356 1 1 . 1 1 78 78 ALA N N 78 121.953 121.953 120.600 1.353 25761 357 1 1 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.118 0.025 25761 358 1 1 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.507 -2.136 25761 359 1 1 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.554 -3.155 25761 360 1 1 . 1 1 78 78 ALA H H 78 7.904 7.904 7.989 -0.085 25761 361 1 1 . 1 1 79 79 TYR N N 79 119.746 119.746 120.505 -0.759 25761 362 1 1 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.060 -0.171 25761 363 1 1 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.145 -2.760 25761 364 1 1 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.307 -2.496 25761 365 1 1 . 1 1 79 79 TYR H H 79 7.422 7.422 8.268 -0.846 25761 366 1 1 . 1 1 80 80 ALA N N 80 122.107 122.107 117.267 4.840 25761 367 1 1 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.163 -0.393 25761 368 1 1 . 1 1 80 80 ALA CA C 80 52.530 52.530 53.927 -1.397 25761 369 1 1 . 1 1 80 80 ALA CB C 80 15.378 15.378 17.798 -2.420 25761 370 1 1 . 1 1 80 80 ALA H H 80 8.376 8.376 8.478 -0.102 25761 371 1 1 . 1 1 81 81 GLU N N 81 118.620 118.620 119.616 -0.996 25761 372 1 1 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.164 -0.320 25761 373 1 1 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.066 -1.353 25761 374 1 1 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.926 -3.047 25761 375 1 1 . 1 1 81 81 GLU H H 81 8.149 8.149 7.745 0.404 25761 376 1 1 . 1 1 82 82 ARG N N 82 120.032 120.032 121.004 -0.972 25761 377 1 1 . 1 1 82 82 ARG HA H 82 3.748 3.748 3.920 -0.172 25761 378 1 1 . 1 1 82 82 ARG CA C 82 56.787 56.787 59.164 -2.377 25761 379 1 1 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.155 -5.003 25761 380 1 1 . 1 1 82 82 ARG H H 82 7.535 7.535 8.404 -0.869 25761 381 1 1 . 1 1 83 83 ALA N N 83 122.089 122.089 120.710 1.379 25761 382 1 1 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.860 -0.152 25761 383 1 1 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.940 -2.615 25761 384 1 1 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.211 -2.542 25761 385 1 1 . 1 1 83 83 ALA H H 83 8.467 8.467 8.109 0.358 25761 386 1 1 . 1 1 84 84 ALA N N 84 118.529 118.529 118.225 0.304 25761 387 1 1 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.189 0.053 25761 388 1 1 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.438 -3.449 25761 389 1 1 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.535 -3.354 25761 390 1 1 . 1 1 84 84 ALA H H 84 7.517 7.517 7.564 -0.047 25761 391 1 1 . 1 1 85 85 ARG N N 85 117.478 117.478 116.826 0.652 25761 392 1 1 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.232 -0.245 25761 393 1 1 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.753 -2.062 25761 394 1 1 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.696 -3.110 25761 395 1 1 . 1 1 85 85 ARG H H 85 7.278 7.278 7.562 -0.284 25761 396 1 1 . 1 1 86 86 ILE N N 86 118.079 118.079 117.396 0.683 25761 397 1 1 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.191 -0.444 25761 398 1 1 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.579 -1.048 25761 399 1 1 . 1 1 86 86 ILE CB C 86 36.213 36.213 40.005 -3.792 25761 400 1 1 . 1 1 86 86 ILE H H 86 7.286 7.286 7.686 -0.400 25761 401 1 1 . 1 1 87 87 ASP N N 87 117.833 117.833 122.160 -4.327 25761 402 1 1 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.854 0.126 25761 403 1 1 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.387 -5.745 25761 404 1 1 . 1 1 87 87 ASP CB C 87 39.176 39.176 42.017 -2.841 25761 405 1 1 . 1 1 87 87 ASP H H 87 7.973 7.973 8.124 -0.151 25761 406 1 1 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.438 0.203 25761 407 1 1 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.067 -3.518 25761 408 1 1 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.454 -2.895 25761 409 1 1 . 1 1 89 89 ASP N N 89 120.189 120.189 117.863 2.326 25761 410 1 1 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.747 -0.061 25761 411 1 1 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.855 -2.482 25761 412 1 1 . 1 1 89 89 ASP H H 89 7.960 7.960 8.261 -0.301 25761 413 1 1 . 1 1 90 90 ILE N N 90 120.372 120.372 122.626 -2.254 25761 414 1 1 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.642 -0.087 25761 415 1 1 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.367 0.655 25761 416 1 1 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.329 -2.131 25761 417 1 1 . 1 1 90 90 ILE H H 90 7.234 7.234 8.340 -1.106 25761 418 1 1 . 1 1 91 91 TRP N N 91 122.596 122.596 127.494 -4.898 25761 419 1 1 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.784 0.105 25761 420 1 1 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.334 -3.667 25761 421 1 1 . 1 1 91 91 TRP CB C 91 28.630 28.630 30.908 -2.278 25761 422 1 1 . 1 1 91 91 TRP H H 91 9.295 9.295 8.974 0.321 25761 423 1 1 . 1 1 92 92 VAL N N 92 118.958 118.958 119.187 -0.229 25761 424 1 1 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.577 0.571 25761 425 1 1 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.869 -2.472 25761 426 1 1 . 1 1 92 92 VAL CB C 92 31.825 31.825 34.492 -2.667 25761 427 1 1 . 1 1 92 92 VAL H H 92 9.040 9.040 8.343 0.697 25761 428 1 1 . 1 1 93 93 VAL N N 93 129.129 129.129 126.719 2.410 25761 429 1 1 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.955 -0.186 25761 430 1 1 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.488 -3.173 25761 431 1 1 . 1 1 93 93 VAL CB C 93 32.548 32.548 34.986 -2.438 25761 432 1 1 . 1 1 93 93 VAL H H 93 9.201 9.201 8.927 0.274 25761 433 1 1 . 1 1 94 94 GLU N N 94 126.192 126.192 125.956 0.236 25761 434 1 1 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.871 0.541 25761 435 1 1 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.301 -2.537 25761 436 1 1 . 1 1 94 94 GLU CB C 94 29.584 29.584 32.821 -3.237 25761 437 1 1 . 1 1 94 94 GLU H H 94 9.161 9.161 9.118 0.043 25761 438 1 1 . 1 1 95 95 ILE N N 95 125.285 125.285 124.729 0.556 25761 439 1 1 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.481 0.290 25761 440 1 1 . 1 1 95 95 ILE CA C 95 57.319 57.319 59.333 -2.014 25761 441 1 1 . 1 1 95 95 ILE CB C 95 38.475 38.475 37.035 1.440 25761 442 1 1 . 1 1 95 95 ILE H H 95 9.347 9.347 8.754 0.593 25761 443 1 1 . 1 1 96 96 GLU N N 96 128.539 128.539 128.454 0.085 25761 444 1 1 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.570 0.585 25761 445 1 1 . 1 1 96 96 GLU CA C 96 52.551 52.551 56.464 -3.913 25761 446 1 1 . 1 1 96 96 GLU CB C 96 29.061 29.061 28.975 0.086 25761 447 1 1 . 1 1 96 96 GLU H H 96 9.390 9.390 8.175 1.215 25761 448 1 1 . 1 1 97 97 ASP N N 97 123.516 123.516 123.930 -0.414 25761 449 1 1 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.765 0.554 25761 450 1 1 . 1 1 97 97 ASP CA C 97 50.769 50.769 53.155 -2.386 25761 451 1 1 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.476 2.361 25761 452 1 1 . 1 1 97 97 ASP H H 97 8.582 8.582 7.798 0.784 25761 453 1 1 . 1 1 98 98 ARG N N 98 127.597 127.597 120.369 7.228 25761 454 1 1 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.174 -0.103 25761 455 1 1 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.420 -2.934 25761 456 1 1 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.713 -3.143 25761 457 1 1 . 1 1 98 98 ARG H H 98 8.914 8.914 8.639 0.275 25761 458 1 1 . 1 1 99 99 ASP N N 99 115.196 115.196 118.191 -2.995 25761 459 1 1 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.757 0.221 25761 460 1 1 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.127 -2.119 25761 461 1 1 . 1 1 99 99 ASP CB C 99 39.782 39.782 39.709 0.073 25761 462 1 1 . 1 1 99 99 ASP H H 99 7.379 7.379 8.118 -0.739 25761 463 1 1 . 1 1 100 100 GLY N N 100 106.976 106.976 108.368 -1.392 25761 464 1 1 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.062 -1.429 25761 465 1 1 . 1 1 100 100 GLY H H 100 7.481 7.481 8.021 -0.540 25761 466 1 1 . 1 1 101 101 ARG N N 101 120.072 120.072 118.462 1.610 25761 467 1 1 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.245 -0.803 25761 468 1 1 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.270 -2.083 25761 469 1 1 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.506 -3.647 25761 470 1 1 . 1 1 101 101 ARG H H 101 8.798 8.798 7.539 1.259 25761 471 1 1 . 1 1 102 102 HIS N N 102 112.990 112.990 115.416 -2.426 25761 472 1 1 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.537 -0.184 25761 473 1 1 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.592 -3.909 25761 474 1 1 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.557 -1.033 25761 475 1 1 . 1 1 102 102 HIS H H 102 5.928 5.928 7.852 -1.924 25761 476 1 1 . 1 1 103 103 PHE N N 103 106.623 106.623 114.945 -8.322 25761 477 1 1 . 1 1 103 103 PHE HA H 103 3.393 3.393 3.859 -0.466 25761 478 1 1 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.918 -1.043 25761 479 1 1 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.641 -3.290 25761 480 1 1 . 1 1 103 103 PHE H H 103 6.660 6.660 6.847 -0.187 25761 481 1 1 . 1 1 104 104 LEU N N 104 123.743 123.743 120.318 3.425 25761 482 1 1 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.240 0.008 25761 483 1 1 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.297 -2.447 25761 484 1 1 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.091 -3.834 25761 485 1 1 . 1 1 104 104 LEU H H 104 10.737 10.737 7.059 3.678 25761 486 1 1 . 1 1 105 105 THR N N 105 113.822 113.822 115.999 -2.177 25761 487 1 1 . 1 1 105 105 THR HA H 105 4.313 4.313 4.319 -0.006 25761 488 1 1 . 1 1 105 105 THR CA C 105 59.658 59.658 63.089 -3.431 25761 489 1 1 . 1 1 105 105 THR CB C 105 66.210 66.210 68.985 -2.775 25761 490 1 1 . 1 1 105 105 THR H H 105 9.213 9.213 8.467 0.746 25761 491 1 1 . 1 1 106 106 GLU N N 106 123.871 123.871 120.798 3.073 25761 492 1 1 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.784 -0.171 25761 493 1 1 . 1 1 106 106 GLU CB C 106 24.135 24.135 32.038 -7.903 25761 494 1 1 . 1 1 106 106 GLU H H 106 7.734 7.734 7.864 -0.130 25761 495 1 1 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.478 -0.214 25761 496 1 1 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.240 -1.776 25761 497 1 1 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.564 -2.761 25761 498 1 1 . 1 1 108 108 VAL N N 108 120.628 120.628 121.207 -0.579 25761 499 1 1 . 1 1 108 108 VAL CA C 108 57.808 57.808 59.849 -2.041 25761 500 1 1 . 1 1 108 108 VAL CB C 108 32.190 32.190 35.108 -2.918 25761 501 1 1 . 1 1 108 108 VAL H H 108 8.137 8.137 8.143 -0.006 25761 502 1 1 . 1 1 109 109 GLU N N 109 128.850 128.850 127.842 1.008 25761 503 1 1 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.823 -0.384 25761 504 1 1 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.527 -1.619 25761 505 1 1 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.846 -3.399 25761 506 1 1 . 1 1 109 109 GLU H H 109 9.095 9.095 9.250 -0.155 25761 507 1 2 . 1 1 2 2 MET HA H 2 4.380 4.380 4.694 -0.314 25761 508 1 2 . 1 1 2 2 MET CA C 2 52.819 52.819 54.870 -2.051 25761 509 1 2 . 1 1 2 2 MET CB C 2 30.830 30.830 33.030 -2.200 25761 510 1 2 . 1 1 3 3 LEU N N 3 123.960 123.960 124.577 -0.617 25761 511 1 2 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.666 -0.376 25761 512 1 2 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.605 -1.935 25761 513 1 2 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.812 -1.885 25761 514 1 2 . 1 1 3 3 LEU H H 3 8.399 8.399 8.335 0.064 25761 515 1 2 . 1 1 4 4 LEU N N 4 123.372 123.372 124.462 -1.090 25761 516 1 2 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.112 0.345 25761 517 1 2 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.014 -3.368 25761 518 1 2 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.030 -1.028 25761 519 1 2 . 1 1 4 4 LEU H H 4 8.134 8.134 8.171 -0.037 25761 520 1 2 . 1 1 5 5 SER N N 5 117.439 117.439 111.789 5.650 25761 521 1 2 . 1 1 5 5 SER HA H 5 4.628 4.628 4.371 0.257 25761 522 1 2 . 1 1 5 5 SER CA C 5 56.192 56.192 56.999 -0.807 25761 523 1 2 . 1 1 5 5 SER CB C 5 61.291 61.291 65.931 -4.641 25761 524 1 2 . 1 1 5 5 SER H H 5 8.075 8.075 7.545 0.530 25761 525 1 2 . 1 1 6 6 THR N N 6 121.297 121.297 119.317 1.980 25761 526 1 2 . 1 1 6 6 THR HA H 6 3.713 3.713 4.026 -0.313 25761 527 1 2 . 1 1 6 6 THR CA C 6 64.981 64.981 66.919 -1.938 25761 528 1 2 . 1 1 6 6 THR CB C 6 65.860 65.860 68.569 -2.709 25761 529 1 2 . 1 1 6 6 THR H H 6 7.681 7.681 8.846 -1.165 25761 530 1 2 . 1 1 7 7 ASP N N 7 119.550 119.550 119.828 -0.278 25761 531 1 2 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.796 -0.054 25761 532 1 2 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.490 -1.493 25761 533 1 2 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.070 -3.278 25761 534 1 2 . 1 1 7 7 ASP H H 7 9.044 9.044 7.642 1.402 25761 535 1 2 . 1 1 8 8 ILE N N 8 123.495 123.495 120.565 2.930 25761 536 1 2 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.670 0.051 25761 537 1 2 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.458 -2.483 25761 538 1 2 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.446 -1.319 25761 539 1 2 . 1 1 8 8 ILE H H 8 7.749 7.749 7.105 0.644 25761 540 1 2 . 1 1 9 9 TRP N N 9 124.446 124.446 119.432 5.014 25761 541 1 2 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.375 -0.531 25761 542 1 2 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.384 -0.248 25761 543 1 2 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.407 -1.432 25761 544 1 2 . 1 1 9 9 TRP H H 9 8.232 8.232 7.127 1.105 25761 545 1 2 . 1 1 10 10 VAL N N 10 121.207 121.207 119.959 1.248 25761 546 1 2 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.489 -0.324 25761 547 1 2 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.682 -2.447 25761 548 1 2 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.156 -2.140 25761 549 1 2 . 1 1 10 10 VAL H H 10 9.240 9.240 7.601 1.639 25761 550 1 2 . 1 1 11 11 ALA N N 11 120.679 120.679 120.700 -0.021 25761 551 1 2 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.046 -0.197 25761 552 1 2 . 1 1 11 11 ALA CA C 11 52.479 52.479 54.987 -2.508 25761 553 1 2 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.054 -2.909 25761 554 1 2 . 1 1 11 11 ALA H H 11 7.718 7.718 8.389 -0.671 25761 555 1 2 . 1 1 12 12 ALA N N 12 120.217 120.217 122.194 -1.977 25761 556 1 2 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.171 -0.266 25761 557 1 2 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.490 -2.494 25761 558 1 2 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.472 -3.533 25761 559 1 2 . 1 1 12 12 ALA H H 12 7.642 7.642 7.572 0.070 25761 560 1 2 . 1 1 13 13 LEU N N 13 122.821 122.821 121.670 1.151 25761 561 1 2 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.014 -0.469 25761 562 1 2 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.006 -2.465 25761 563 1 2 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.905 -3.456 25761 564 1 2 . 1 1 13 13 LEU H H 13 7.320 7.320 8.312 -0.992 25761 565 1 2 . 1 1 14 14 ILE N N 14 117.258 117.258 117.253 0.005 25761 566 1 2 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.573 -0.521 25761 567 1 2 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.412 -2.207 25761 568 1 2 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.539 -1.762 25761 569 1 2 . 1 1 14 14 ILE H H 14 8.105 8.105 8.524 -0.419 25761 570 1 2 . 1 1 15 15 ARG N N 15 117.921 117.921 119.268 -1.347 25761 571 1 2 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.886 0.074 25761 572 1 2 . 1 1 15 15 ARG CA C 15 56.068 56.068 60.082 -4.014 25761 573 1 2 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.891 -2.589 25761 574 1 2 . 1 1 15 15 ARG H H 15 7.574 7.574 7.645 -0.071 25761 575 1 2 . 1 1 16 16 ARG N N 16 118.635 118.635 119.399 -0.764 25761 576 1 2 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.954 -0.253 25761 577 1 2 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.044 -1.390 25761 578 1 2 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.972 -1.841 25761 579 1 2 . 1 1 16 16 ARG H H 16 7.832 7.832 8.289 -0.457 25761 580 1 2 . 1 1 17 17 ALA N N 17 122.335 122.335 121.828 0.507 25761 581 1 2 . 1 1 17 17 ALA HA H 17 3.052 3.052 1.735 1.317 25761 582 1 2 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.016 8.344 25761 583 1 2 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.885 -2.332 25761 584 1 2 . 1 1 17 17 ALA H H 17 7.856 7.856 8.034 -0.178 25761 585 1 2 . 1 1 18 18 GLU N N 18 118.223 118.223 119.587 -1.364 25761 586 1 2 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.189 -0.198 25761 587 1 2 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.709 -2.220 25761 588 1 2 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.467 -2.681 25761 589 1 2 . 1 1 18 18 GLU H H 18 8.303 8.303 7.976 0.327 25761 590 1 2 . 1 1 19 19 LEU N N 19 122.454 122.454 120.366 2.088 25761 591 1 2 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.065 -0.061 25761 592 1 2 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.736 -1.879 25761 593 1 2 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.754 -2.639 25761 594 1 2 . 1 1 19 19 LEU H H 19 8.402 8.402 8.178 0.224 25761 595 1 2 . 1 1 20 20 GLY N N 20 105.446 105.446 105.803 -0.357 25761 596 1 2 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.974 -3.231 25761 597 1 2 . 1 1 20 20 GLY H H 20 7.468 7.468 7.718 -0.250 25761 598 1 2 . 1 1 21 21 GLY N N 21 107.714 107.714 108.152 -0.438 25761 599 1 2 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.716 -2.089 25761 600 1 2 . 1 1 21 21 GLY H H 21 7.754 7.754 7.763 -0.009 25761 601 1 2 . 1 1 22 22 ALA N N 22 123.725 123.725 121.475 2.250 25761 602 1 2 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.650 0.014 25761 603 1 2 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.937 -2.699 25761 604 1 2 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.443 -2.160 25761 605 1 2 . 1 1 22 22 ALA H H 22 8.012 8.012 7.175 0.837 25761 606 1 2 . 1 1 23 23 PHE N N 23 117.564 117.564 120.867 -3.303 25761 607 1 2 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.712 0.127 25761 608 1 2 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.886 -3.124 25761 609 1 2 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.328 -2.672 25761 610 1 2 . 1 1 23 23 PHE H H 23 8.128 8.128 8.017 0.111 25761 611 1 2 . 1 1 24 24 ALA N N 24 128.638 128.638 130.472 -1.834 25761 612 1 2 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.476 -0.024 25761 613 1 2 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.037 -3.526 25761 614 1 2 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.576 -1.198 25761 615 1 2 . 1 1 24 24 ALA H H 24 8.542 8.542 7.774 0.768 25761 616 1 2 . 1 1 25 25 THR N N 25 115.207 115.207 115.171 0.036 25761 617 1 2 . 1 1 25 25 THR HA H 25 4.394 4.394 4.610 -0.216 25761 618 1 2 . 1 1 25 25 THR CA C 25 57.830 57.830 60.938 -3.108 25761 619 1 2 . 1 1 25 25 THR CB C 25 69.095 69.095 71.504 -2.409 25761 620 1 2 . 1 1 25 25 THR H H 25 9.003 9.003 8.507 0.496 25761 621 1 2 . 1 1 26 26 VAL N N 26 125.712 125.712 121.144 4.568 25761 622 1 2 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.617 -0.435 25761 623 1 2 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.032 -0.546 25761 624 1 2 . 1 1 26 26 VAL CB C 26 28.548 28.548 34.008 -5.460 25761 625 1 2 . 1 1 26 26 VAL H H 26 8.739 8.739 8.403 0.336 25761 626 1 2 . 1 1 27 27 ALA N N 27 134.206 134.206 130.805 3.401 25761 627 1 2 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.540 -0.295 25761 628 1 2 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.303 -1.561 25761 629 1 2 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.520 -3.989 25761 630 1 2 . 1 1 27 27 ALA H H 27 8.412 8.412 9.150 -0.738 25761 631 1 2 . 1 1 28 28 ARG N N 28 117.751 117.751 118.848 -1.097 25761 632 1 2 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.452 -0.244 25761 633 1 2 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.750 -2.092 25761 634 1 2 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.520 -2.520 25761 635 1 2 . 1 1 28 28 ARG H H 28 8.090 8.090 7.483 0.607 25761 636 1 2 . 1 1 29 29 LYS N N 29 128.417 128.417 122.982 5.435 25761 637 1 2 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.482 -0.373 25761 638 1 2 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.292 -1.500 25761 639 1 2 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.564 -2.275 25761 640 1 2 . 1 1 29 29 LYS H H 29 8.536 8.536 8.325 0.211 25761 641 1 2 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.858 -3.000 25761 642 1 2 . 1 1 31 31 ASP N N 31 120.477 120.477 120.076 0.401 25761 643 1 2 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.565 -0.061 25761 644 1 2 . 1 1 31 31 ASP CA C 31 52.637 52.637 55.036 -2.399 25761 645 1 2 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.303 -1.953 25761 646 1 2 . 1 1 31 31 ASP H H 31 8.445 8.445 8.032 0.413 25761 647 1 2 . 1 1 32 32 ALA N N 32 133.865 133.865 129.592 4.273 25761 648 1 2 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.464 -0.095 25761 649 1 2 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.520 -1.233 25761 650 1 2 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.054 -1.999 25761 651 1 2 . 1 1 32 32 ALA H H 32 9.236 9.236 9.048 0.188 25761 652 1 2 . 1 1 33 33 ARG N N 33 113.991 113.991 117.000 -3.009 25761 653 1 2 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.383 0.031 25761 654 1 2 . 1 1 33 33 ARG CA C 33 55.785 55.785 57.902 -2.117 25761 655 1 2 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.399 -3.216 25761 656 1 2 . 1 1 33 33 ARG H H 33 7.913 7.913 8.718 -0.805 25761 657 1 2 . 1 1 34 34 ALA N N 34 120.593 120.593 120.610 -0.017 25761 658 1 2 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.666 0.008 25761 659 1 2 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.927 -2.391 25761 660 1 2 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.184 -2.370 25761 661 1 2 . 1 1 34 34 ALA H H 34 8.306 8.306 8.358 -0.052 25761 662 1 2 . 1 1 35 35 GLY N N 35 107.349 107.349 107.978 -0.629 25761 663 1 2 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.254 0.196 25761 664 1 2 . 1 1 35 35 GLY H H 35 7.715 7.715 7.712 0.003 25761 665 1 2 . 1 1 36 36 ALA N N 36 127.073 127.073 128.135 -1.062 25761 666 1 2 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.773 -0.415 25761 667 1 2 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.959 -2.818 25761 668 1 2 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.234 -3.267 25761 669 1 2 . 1 1 36 36 ALA H H 36 8.935 8.935 8.257 0.678 25761 670 1 2 . 1 1 37 37 VAL N N 37 116.903 116.903 117.910 -1.007 25761 671 1 2 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.240 -0.491 25761 672 1 2 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.890 -2.308 25761 673 1 2 . 1 1 37 37 VAL H H 37 7.830 7.830 8.234 -0.404 25761 674 1 2 . 1 1 38 38 LEU N N 38 126.366 126.366 125.931 0.435 25761 675 1 2 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.220 0.311 25761 676 1 2 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.329 -2.454 25761 677 1 2 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.798 -2.828 25761 678 1 2 . 1 1 38 38 LEU H H 38 8.926 8.926 8.764 0.162 25761 679 1 2 . 1 1 39 39 VAL N N 39 121.843 121.843 122.331 -0.488 25761 680 1 2 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.747 0.132 25761 681 1 2 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.523 -2.180 25761 682 1 2 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.710 -0.518 25761 683 1 2 . 1 1 39 39 VAL H H 39 8.819 8.819 8.406 0.413 25761 684 1 2 . 1 1 40 40 LYS N N 40 129.592 129.592 128.445 1.147 25761 685 1 2 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.913 0.366 25761 686 1 2 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.244 -6.253 25761 687 1 2 . 1 1 40 40 LYS CB C 40 31.682 31.682 35.893 -4.211 25761 688 1 2 . 1 1 40 40 LYS H H 40 9.438 9.438 9.202 0.236 25761 689 1 2 . 1 1 41 41 ALA N N 41 131.659 131.659 130.381 1.278 25761 690 1 2 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.421 -0.172 25761 691 1 2 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.577 1.239 25761 692 1 2 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.744 -4.099 25761 693 1 2 . 1 1 41 41 ALA H H 41 9.349 9.349 8.861 0.488 25761 694 1 2 . 1 1 42 42 VAL N N 42 127.668 127.668 123.324 4.344 25761 695 1 2 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.002 0.267 25761 696 1 2 . 1 1 42 42 VAL CA C 42 59.621 59.621 62.736 -3.115 25761 697 1 2 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.555 -1.677 25761 698 1 2 . 1 1 42 42 VAL H H 42 9.517 9.517 8.540 0.977 25761 699 1 2 . 1 1 43 43 ASP N N 43 127.524 127.524 124.531 2.993 25761 700 1 2 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.973 -0.087 25761 701 1 2 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.537 -2.907 25761 702 1 2 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.452 -2.925 25761 703 1 2 . 1 1 43 43 ASP H H 43 8.821 8.821 8.553 0.268 25761 704 1 2 . 1 1 44 44 ARG N N 44 123.676 123.676 124.920 -1.244 25761 705 1 2 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.107 -0.012 25761 706 1 2 . 1 1 44 44 ARG CA C 44 54.671 54.671 58.332 -3.661 25761 707 1 2 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.302 -2.208 25761 708 1 2 . 1 1 44 44 ARG H H 44 8.435 8.435 8.055 0.380 25761 709 1 2 . 1 1 45 45 ARG N N 45 120.486 120.486 118.543 1.943 25761 710 1 2 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.181 -0.050 25761 711 1 2 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.541 -1.934 25761 712 1 2 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.739 -2.675 25761 713 1 2 . 1 1 45 45 ARG H H 45 8.551 8.551 8.149 0.402 25761 714 1 2 . 1 1 46 46 GLU N N 46 116.189 116.189 115.942 0.247 25761 715 1 2 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.446 -0.193 25761 716 1 2 . 1 1 46 46 GLU CA C 46 53.438 53.438 55.904 -2.466 25761 717 1 2 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.990 -2.374 25761 718 1 2 . 1 1 46 46 GLU H H 46 7.918 7.918 8.072 -0.154 25761 719 1 2 . 1 1 47 47 GLY N N 47 108.218 108.218 110.437 -2.219 25761 720 1 2 . 1 1 47 47 GLY CA C 47 43.970 43.970 46.055 -2.085 25761 721 1 2 . 1 1 47 47 GLY H H 47 8.159 8.159 8.348 -0.189 25761 722 1 2 . 1 1 48 48 THR N N 48 109.683 109.683 111.478 -1.795 25761 723 1 2 . 1 1 48 48 THR HA H 48 4.639 4.639 4.824 -0.185 25761 724 1 2 . 1 1 48 48 THR CA C 48 57.215 57.215 59.862 -2.647 25761 725 1 2 . 1 1 48 48 THR CB C 48 69.275 69.275 71.165 -1.889 25761 726 1 2 . 1 1 48 48 THR H H 48 7.485 7.485 7.518 -0.033 25761 727 1 2 . 1 1 49 49 ALA N N 49 122.571 122.571 121.327 1.244 25761 728 1 2 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.634 0.522 25761 729 1 2 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.457 -3.446 25761 730 1 2 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.178 -1.174 25761 731 1 2 . 1 1 49 49 ALA H H 49 8.530 8.530 8.066 0.464 25761 732 1 2 . 1 1 50 50 ARG N N 50 115.654 115.654 119.189 -3.535 25761 733 1 2 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.622 0.018 25761 734 1 2 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.996 -2.490 25761 735 1 2 . 1 1 50 50 ARG CB C 50 33.832 33.832 33.791 0.041 25761 736 1 2 . 1 1 50 50 ARG H H 50 8.168 8.168 8.436 -0.268 25761 737 1 2 . 1 1 51 51 LEU N N 51 122.400 122.400 123.033 -0.633 25761 738 1 2 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.414 0.860 25761 739 1 2 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.904 -3.529 25761 740 1 2 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.529 -0.370 25761 741 1 2 . 1 1 51 51 LEU H H 51 8.213 8.213 8.175 0.038 25761 742 1 2 . 1 1 52 52 PHE N N 52 124.579 124.579 123.733 0.846 25761 743 1 2 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.648 -0.098 25761 744 1 2 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.503 -1.829 25761 745 1 2 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.203 -1.583 25761 746 1 2 . 1 1 52 52 PHE H H 52 9.546 9.546 8.981 0.565 25761 747 1 2 . 1 1 53 53 SER N N 53 115.953 115.953 115.503 0.450 25761 748 1 2 . 1 1 53 53 SER HA H 53 5.267 5.267 5.422 -0.155 25761 749 1 2 . 1 1 53 53 SER CA C 53 53.513 53.513 57.256 -3.743 25761 750 1 2 . 1 1 53 53 SER CB C 53 64.255 64.255 67.082 -2.827 25761 751 1 2 . 1 1 53 53 SER H H 53 9.727 9.727 9.091 0.636 25761 752 1 2 . 1 1 54 54 GLU N N 54 124.987 124.987 124.197 0.790 25761 753 1 2 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.529 -0.921 25761 754 1 2 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.250 -1.933 25761 755 1 2 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.584 2.093 25761 756 1 2 . 1 1 54 54 GLU H H 54 8.431 8.431 8.152 0.279 25761 757 1 2 . 1 1 55 55 ALA N N 55 127.789 127.789 121.473 6.316 25761 758 1 2 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.318 -0.058 25761 759 1 2 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.367 -3.362 25761 760 1 2 . 1 1 55 55 ALA CB C 55 19.682 19.682 20.545 -0.863 25761 761 1 2 . 1 1 55 55 ALA H H 55 8.430 8.430 7.566 0.864 25761 762 1 2 . 1 1 56 56 THR N N 56 111.341 111.341 112.277 -0.936 25761 763 1 2 . 1 1 56 56 THR HA H 56 5.038 5.038 4.979 0.059 25761 764 1 2 . 1 1 56 56 THR CA C 56 58.078 58.078 60.273 -2.195 25761 765 1 2 . 1 1 56 56 THR CB C 56 68.505 68.505 71.170 -2.665 25761 766 1 2 . 1 1 56 56 THR H H 56 7.923 7.923 8.114 -0.191 25761 767 1 2 . 1 1 57 57 ARG N N 57 124.295 124.295 124.111 0.184 25761 768 1 2 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.470 0.117 25761 769 1 2 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.939 -3.614 25761 770 1 2 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.922 -1.255 25761 771 1 2 . 1 1 57 57 ARG H H 57 9.054 9.054 8.668 0.386 25761 772 1 2 . 1 1 58 58 GLY N N 58 109.220 109.220 107.298 1.922 25761 773 1 2 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.044 -1.448 25761 774 1 2 . 1 1 58 58 GLY H H 58 8.706 8.706 8.666 0.040 25761 775 1 2 . 1 1 59 59 ASP N N 59 120.555 120.555 119.501 1.054 25761 776 1 2 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.716 -0.130 25761 777 1 2 . 1 1 59 59 ASP CA C 59 50.369 50.369 52.705 -2.336 25761 778 1 2 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.952 -3.555 25761 779 1 2 . 1 1 59 59 ASP H H 59 8.194 8.194 7.376 0.818 25761 780 1 2 . 1 1 60 60 GLY N N 60 107.833 107.833 108.821 -0.988 25761 781 1 2 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.889 -2.976 25761 782 1 2 . 1 1 60 60 GLY H H 60 7.999 7.999 8.193 -0.194 25761 783 1 2 . 1 1 61 61 GLU N N 61 121.205 121.205 120.277 0.928 25761 784 1 2 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.209 -0.023 25761 785 1 2 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.881 -1.887 25761 786 1 2 . 1 1 61 61 GLU CB C 61 27.931 27.931 29.711 -1.780 25761 787 1 2 . 1 1 61 61 GLU H H 61 7.910 7.910 7.973 -0.063 25761 788 1 2 . 1 1 62 62 ARG N N 62 125.261 125.261 128.293 -3.032 25761 789 1 2 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.957 -0.145 25761 790 1 2 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.737 -3.850 25761 791 1 2 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.546 -2.628 25761 792 1 2 . 1 1 62 62 ARG H H 62 8.219 8.219 8.120 0.099 25761 793 1 2 . 1 1 63 63 PHE N N 63 120.777 120.777 117.483 3.294 25761 794 1 2 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.632 0.247 25761 795 1 2 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.630 -2.830 25761 796 1 2 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.692 -1.529 25761 797 1 2 . 1 1 63 63 PHE H H 63 8.431 8.431 7.936 0.495 25761 798 1 2 . 1 1 64 64 TRP N N 64 119.550 119.550 120.905 -1.355 25761 799 1 2 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.289 -0.263 25761 800 1 2 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.281 -2.092 25761 801 1 2 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.370 -0.487 25761 802 1 2 . 1 1 64 64 TRP H H 64 8.914 8.914 7.992 0.922 25761 803 1 2 . 1 1 65 65 MET N N 65 118.324 118.324 122.174 -3.850 25761 804 1 2 . 1 1 65 65 MET HA H 65 5.156 5.156 5.035 0.121 25761 805 1 2 . 1 1 65 65 MET CA C 65 50.438 50.438 54.933 -4.495 25761 806 1 2 . 1 1 65 65 MET CB C 65 32.296 32.296 34.458 -2.162 25761 807 1 2 . 1 1 65 65 MET H H 65 9.282 9.282 8.965 0.317 25761 808 1 2 . 1 1 66 66 GLN N N 66 119.469 119.469 119.511 -0.042 25761 809 1 2 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.952 0.562 25761 810 1 2 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.819 -2.854 25761 811 1 2 . 1 1 66 66 GLN CB C 66 28.500 28.500 29.013 -0.513 25761 812 1 2 . 1 1 66 66 GLN H H 66 8.785 8.785 8.659 0.126 25761 813 1 2 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.330 -0.209 25761 814 1 2 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.883 -3.018 25761 815 1 2 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.203 -2.166 25761 816 1 2 . 1 1 68 68 VAL N N 68 119.433 119.433 120.749 -1.316 25761 817 1 2 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.136 -0.177 25761 818 1 2 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.210 -2.376 25761 819 1 2 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.263 -1.231 25761 820 1 2 . 1 1 68 68 VAL H H 68 8.464 8.464 7.620 0.844 25761 821 1 2 . 1 1 69 69 ARG N N 69 127.119 127.119 128.676 -1.557 25761 822 1 2 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.350 -0.014 25761 823 1 2 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.065 -4.253 25761 824 1 2 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.755 -2.832 25761 825 1 2 . 1 1 69 69 ARG H H 69 8.519 8.519 8.767 -0.248 25761 826 1 2 . 1 1 70 70 SER N N 70 115.574 115.574 117.119 -1.545 25761 827 1 2 . 1 1 70 70 SER HA H 70 4.598 4.598 4.549 0.049 25761 828 1 2 . 1 1 70 70 SER CA C 70 54.127 54.127 57.033 -2.906 25761 829 1 2 . 1 1 70 70 SER CB C 70 62.189 62.189 64.456 -2.267 25761 830 1 2 . 1 1 70 70 SER H H 70 7.955 7.955 7.836 0.119 25761 831 1 2 . 1 1 71 71 THR N N 71 114.592 114.592 115.828 -1.236 25761 832 1 2 . 1 1 71 71 THR HA H 71 5.244 5.244 4.560 0.684 25761 833 1 2 . 1 1 71 71 THR CA C 71 58.147 58.147 61.420 -3.273 25761 834 1 2 . 1 1 71 71 THR CB C 71 66.895 66.895 69.471 -2.575 25761 835 1 2 . 1 1 71 71 THR H H 71 8.285 8.285 8.369 -0.084 25761 836 1 2 . 1 1 72 72 PHE N N 72 125.101 125.101 124.150 0.951 25761 837 1 2 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.418 0.523 25761 838 1 2 . 1 1 72 72 PHE CA C 72 53.135 53.135 56.776 -3.640 25761 839 1 2 . 1 1 72 72 PHE CB C 72 36.931 36.931 38.660 -1.729 25761 840 1 2 . 1 1 72 72 PHE H H 72 8.649 8.649 7.563 1.086 25761 841 1 2 . 1 1 73 73 GLU N N 73 129.014 129.014 127.473 1.541 25761 842 1 2 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.974 -0.423 25761 843 1 2 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.740 -2.325 25761 844 1 2 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.582 5.310 25761 845 1 2 . 1 1 73 73 GLU H H 73 9.018 9.018 9.112 -0.094 25761 846 1 2 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.046 -1.949 25761 847 1 2 . 1 1 75 75 ASP N N 75 116.246 116.246 120.009 -3.763 25761 848 1 2 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.649 -0.199 25761 849 1 2 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.593 -2.043 25761 850 1 2 . 1 1 75 75 ASP CB C 75 37.741 37.741 41.030 -3.289 25761 851 1 2 . 1 1 75 75 ASP H H 75 7.493 7.493 7.910 -0.417 25761 852 1 2 . 1 1 76 76 LEU N N 76 121.503 121.503 120.896 0.607 25761 853 1 2 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.054 -0.068 25761 854 1 2 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.920 -3.676 25761 855 1 2 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.137 -4.898 25761 856 1 2 . 1 1 76 76 LEU H H 76 7.651 7.651 7.979 -0.328 25761 857 1 2 . 1 1 77 77 ASP N N 77 120.554 120.554 119.264 1.290 25761 858 1 2 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.389 -0.098 25761 859 1 2 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.663 -2.968 25761 860 1 2 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.828 -3.634 25761 861 1 2 . 1 1 77 77 ASP H H 77 8.117 8.117 8.610 -0.493 25761 862 1 2 . 1 1 78 78 ALA N N 78 121.953 121.953 121.629 0.324 25761 863 1 2 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.062 0.081 25761 864 1 2 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.502 -2.132 25761 865 1 2 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.340 -2.941 25761 866 1 2 . 1 1 78 78 ALA H H 78 7.904 7.904 7.797 0.107 25761 867 1 2 . 1 1 79 79 TYR N N 79 119.746 119.746 120.021 -0.275 25761 868 1 2 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.030 -0.141 25761 869 1 2 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.182 -2.797 25761 870 1 2 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.282 -2.471 25761 871 1 2 . 1 1 79 79 TYR H H 79 7.422 7.422 8.299 -0.877 25761 872 1 2 . 1 1 80 80 ALA N N 80 122.107 122.107 119.303 2.804 25761 873 1 2 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.037 -0.267 25761 874 1 2 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.147 -2.617 25761 875 1 2 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.250 -2.872 25761 876 1 2 . 1 1 80 80 ALA H H 80 8.376 8.376 7.916 0.460 25761 877 1 2 . 1 1 81 81 GLU N N 81 118.620 118.620 118.082 0.538 25761 878 1 2 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.071 -0.227 25761 879 1 2 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.972 -2.259 25761 880 1 2 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.425 -2.546 25761 881 1 2 . 1 1 81 81 GLU H H 81 8.149 8.149 7.572 0.577 25761 882 1 2 . 1 1 82 82 ARG N N 82 120.032 120.032 118.812 1.220 25761 883 1 2 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.104 -0.356 25761 884 1 2 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.431 -1.644 25761 885 1 2 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.663 -5.510 25761 886 1 2 . 1 1 82 82 ARG H H 82 7.535 7.535 7.884 -0.349 25761 887 1 2 . 1 1 83 83 ALA N N 83 122.089 122.089 120.813 1.276 25761 888 1 2 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.912 -0.204 25761 889 1 2 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.906 -2.581 25761 890 1 2 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.313 -2.644 25761 891 1 2 . 1 1 83 83 ALA H H 83 8.467 8.467 8.324 0.143 25761 892 1 2 . 1 1 84 84 ALA N N 84 118.529 118.529 118.091 0.438 25761 893 1 2 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.233 0.009 25761 894 1 2 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.491 -3.502 25761 895 1 2 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.176 -2.995 25761 896 1 2 . 1 1 84 84 ALA H H 84 7.517 7.517 7.470 0.047 25761 897 1 2 . 1 1 85 85 ARG N N 85 117.478 117.478 116.759 0.719 25761 898 1 2 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.333 -0.346 25761 899 1 2 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.360 -1.669 25761 900 1 2 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.228 -3.642 25761 901 1 2 . 1 1 85 85 ARG H H 85 7.278 7.278 7.718 -0.440 25761 902 1 2 . 1 1 86 86 ILE N N 86 118.079 118.079 119.148 -1.069 25761 903 1 2 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.074 -0.327 25761 904 1 2 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.991 -1.460 25761 905 1 2 . 1 1 86 86 ILE CB C 86 36.213 36.213 38.862 -2.649 25761 906 1 2 . 1 1 86 86 ILE H H 86 7.286 7.286 7.462 -0.176 25761 907 1 2 . 1 1 87 87 ASP N N 87 117.833 117.833 120.873 -3.040 25761 908 1 2 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.660 0.320 25761 909 1 2 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.982 -6.340 25761 910 1 2 . 1 1 87 87 ASP CB C 87 39.176 39.176 42.247 -3.071 25761 911 1 2 . 1 1 87 87 ASP H H 87 7.973 7.973 7.542 0.431 25761 912 1 2 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.370 0.271 25761 913 1 2 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.297 -3.748 25761 914 1 2 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.399 -2.840 25761 915 1 2 . 1 1 89 89 ASP N N 89 120.189 120.189 118.987 1.202 25761 916 1 2 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.826 -0.140 25761 917 1 2 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.651 -2.278 25761 918 1 2 . 1 1 89 89 ASP H H 89 7.960 7.960 8.350 -0.390 25761 919 1 2 . 1 1 90 90 ILE N N 90 120.372 120.372 121.138 -0.766 25761 920 1 2 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.545 0.010 25761 921 1 2 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.155 -0.133 25761 922 1 2 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.177 -1.979 25761 923 1 2 . 1 1 90 90 ILE H H 90 7.234 7.234 8.069 -0.835 25761 924 1 2 . 1 1 91 91 TRP N N 91 122.596 122.596 124.030 -1.434 25761 925 1 2 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.739 0.150 25761 926 1 2 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.637 -3.970 25761 927 1 2 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.512 -2.882 25761 928 1 2 . 1 1 91 91 TRP H H 91 9.295 9.295 9.026 0.269 25761 929 1 2 . 1 1 92 92 VAL N N 92 118.958 118.958 122.484 -3.526 25761 930 1 2 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.598 0.550 25761 931 1 2 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.700 -2.303 25761 932 1 2 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.751 -1.926 25761 933 1 2 . 1 1 92 92 VAL H H 92 9.040 9.040 8.890 0.150 25761 934 1 2 . 1 1 93 93 VAL N N 93 129.129 129.129 127.971 1.158 25761 935 1 2 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.766 0.003 25761 936 1 2 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.488 -3.173 25761 937 1 2 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.143 -0.595 25761 938 1 2 . 1 1 93 93 VAL H H 93 9.201 9.201 9.015 0.186 25761 939 1 2 . 1 1 94 94 GLU N N 94 126.192 126.192 128.165 -1.973 25761 940 1 2 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.830 0.582 25761 941 1 2 . 1 1 94 94 GLU CA C 94 51.764 51.764 55.239 -3.475 25761 942 1 2 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.549 -1.965 25761 943 1 2 . 1 1 94 94 GLU H H 94 9.161 9.161 8.850 0.311 25761 944 1 2 . 1 1 95 95 ILE N N 95 125.285 125.285 126.457 -1.172 25761 945 1 2 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.578 0.193 25761 946 1 2 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.891 -1.572 25761 947 1 2 . 1 1 95 95 ILE CB C 95 38.475 38.475 38.037 0.438 25761 948 1 2 . 1 1 95 95 ILE H H 95 9.347 9.347 9.043 0.304 25761 949 1 2 . 1 1 96 96 GLU N N 96 128.539 128.539 128.910 -0.371 25761 950 1 2 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.717 0.438 25761 951 1 2 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.353 -2.802 25761 952 1 2 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.801 -1.740 25761 953 1 2 . 1 1 96 96 GLU H H 96 9.390 9.390 8.944 0.446 25761 954 1 2 . 1 1 97 97 ASP N N 97 123.516 123.516 124.000 -0.484 25761 955 1 2 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.995 0.324 25761 956 1 2 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.425 -1.656 25761 957 1 2 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.008 1.829 25761 958 1 2 . 1 1 97 97 ASP H H 97 8.582 8.582 8.617 -0.035 25761 959 1 2 . 1 1 98 98 ARG N N 98 127.597 127.597 119.156 8.441 25761 960 1 2 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.420 -0.349 25761 961 1 2 . 1 1 98 98 ARG CA C 98 56.486 56.486 57.265 -0.779 25761 962 1 2 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.769 -3.199 25761 963 1 2 . 1 1 98 98 ARG H H 98 8.914 8.914 8.658 0.256 25761 964 1 2 . 1 1 99 99 ASP N N 99 115.196 115.196 118.916 -3.720 25761 965 1 2 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.790 0.189 25761 966 1 2 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.663 -2.655 25761 967 1 2 . 1 1 99 99 ASP CB C 99 39.782 39.782 41.776 -1.994 25761 968 1 2 . 1 1 99 99 ASP H H 99 7.379 7.379 8.479 -1.100 25761 969 1 2 . 1 1 100 100 GLY N N 100 106.976 106.976 107.464 -0.488 25761 970 1 2 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.337 -1.704 25761 971 1 2 . 1 1 100 100 GLY H H 100 7.481 7.481 8.115 -0.634 25761 972 1 2 . 1 1 101 101 ARG N N 101 120.072 120.072 117.209 2.863 25761 973 1 2 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.961 -0.519 25761 974 1 2 . 1 1 101 101 ARG CA C 101 54.187 54.187 54.564 -0.377 25761 975 1 2 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.991 -4.132 25761 976 1 2 . 1 1 101 101 ARG H H 101 8.798 8.798 7.535 1.263 25761 977 1 2 . 1 1 102 102 HIS N N 102 112.990 112.990 117.001 -4.011 25761 978 1 2 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.754 -0.401 25761 979 1 2 . 1 1 102 102 HIS CA C 102 51.683 51.683 54.844 -3.161 25761 980 1 2 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.517 -0.994 25761 981 1 2 . 1 1 102 102 HIS H H 102 5.928 5.928 8.049 -2.121 25761 982 1 2 . 1 1 103 103 PHE N N 103 106.623 106.623 115.942 -9.319 25761 983 1 2 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.138 -0.745 25761 984 1 2 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.992 -1.117 25761 985 1 2 . 1 1 103 103 PHE CB C 103 33.351 33.351 37.459 -4.108 25761 986 1 2 . 1 1 103 103 PHE H H 103 6.660 6.660 7.785 -1.125 25761 987 1 2 . 1 1 104 104 LEU N N 104 123.743 123.743 120.153 3.590 25761 988 1 2 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.282 -0.034 25761 989 1 2 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.389 -2.539 25761 990 1 2 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.070 -3.813 25761 991 1 2 . 1 1 104 104 LEU H H 104 10.737 10.737 7.682 3.055 25761 992 1 2 . 1 1 105 105 THR N N 105 113.822 113.822 116.459 -2.637 25761 993 1 2 . 1 1 105 105 THR HA H 105 4.313 4.313 4.424 -0.111 25761 994 1 2 . 1 1 105 105 THR CA C 105 59.658 59.658 62.334 -2.676 25761 995 1 2 . 1 1 105 105 THR CB C 105 66.210 66.210 69.218 -3.008 25761 996 1 2 . 1 1 105 105 THR H H 105 9.213 9.213 8.221 0.992 25761 997 1 2 . 1 1 106 106 GLU N N 106 123.871 123.871 121.829 2.042 25761 998 1 2 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.700 -0.087 25761 999 1 2 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.580 -6.445 25761 1000 1 2 . 1 1 106 106 GLU H H 106 7.734 7.734 8.257 -0.523 25761 1001 1 2 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.608 -0.344 25761 1002 1 2 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.730 -1.266 25761 1003 1 2 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.289 -2.486 25761 1004 1 2 . 1 1 108 108 VAL N N 108 120.628 120.628 120.624 0.004 25761 1005 1 2 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.283 -3.475 25761 1006 1 2 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.310 -2.120 25761 1007 1 2 . 1 1 108 108 VAL H H 108 8.137 8.137 8.409 -0.272 25761 1008 1 2 . 1 1 109 109 GLU N N 109 128.850 128.850 128.070 0.780 25761 1009 1 2 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.523 -0.084 25761 1010 1 2 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.605 -2.696 25761 1011 1 2 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.794 -3.347 25761 1012 1 2 . 1 1 109 109 GLU H H 109 9.095 9.095 8.880 0.215 25761 1013 1 3 . 1 1 2 2 MET HA H 2 4.380 4.380 4.992 -0.612 25761 1014 1 3 . 1 1 2 2 MET CA C 2 52.819 52.819 54.312 -1.493 25761 1015 1 3 . 1 1 2 2 MET CB C 2 30.830 30.830 35.974 -5.144 25761 1016 1 3 . 1 1 3 3 LEU N N 3 123.960 123.960 124.457 -0.497 25761 1017 1 3 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.737 -0.447 25761 1018 1 3 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.669 -1.999 25761 1019 1 3 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.142 -2.214 25761 1020 1 3 . 1 1 3 3 LEU H H 3 8.399 8.399 8.668 -0.269 25761 1021 1 3 . 1 1 4 4 LEU N N 4 123.372 123.372 121.631 1.741 25761 1022 1 3 . 1 1 4 4 LEU HA H 4 4.457 4.457 3.993 0.464 25761 1023 1 3 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.221 -3.574 25761 1024 1 3 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.414 -1.412 25761 1025 1 3 . 1 1 4 4 LEU H H 4 8.134 8.134 8.037 0.097 25761 1026 1 3 . 1 1 5 5 SER N N 5 117.439 117.439 113.124 4.315 25761 1027 1 3 . 1 1 5 5 SER HA H 5 4.628 4.628 4.263 0.365 25761 1028 1 3 . 1 1 5 5 SER CA C 5 56.192 56.192 56.612 -0.420 25761 1029 1 3 . 1 1 5 5 SER CB C 5 61.291 61.291 66.149 -4.858 25761 1030 1 3 . 1 1 5 5 SER H H 5 8.075 8.075 7.431 0.644 25761 1031 1 3 . 1 1 6 6 THR N N 6 121.297 121.297 119.859 1.438 25761 1032 1 3 . 1 1 6 6 THR HA H 6 3.713 3.713 4.077 -0.364 25761 1033 1 3 . 1 1 6 6 THR CA C 6 64.981 64.981 66.783 -1.802 25761 1034 1 3 . 1 1 6 6 THR CB C 6 65.860 65.860 68.401 -2.541 25761 1035 1 3 . 1 1 6 6 THR H H 6 7.681 7.681 8.407 -0.726 25761 1036 1 3 . 1 1 7 7 ASP N N 7 119.550 119.550 120.817 -1.267 25761 1037 1 3 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.638 0.104 25761 1038 1 3 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.063 -2.066 25761 1039 1 3 . 1 1 7 7 ASP CB C 7 36.792 36.792 39.655 -2.863 25761 1040 1 3 . 1 1 7 7 ASP H H 7 9.044 9.044 8.110 0.934 25761 1041 1 3 . 1 1 8 8 ILE N N 8 123.495 123.495 120.669 2.826 25761 1042 1 3 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.653 0.068 25761 1043 1 3 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.480 -2.505 25761 1044 1 3 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.448 -1.321 25761 1045 1 3 . 1 1 8 8 ILE H H 8 7.749 7.749 7.628 0.121 25761 1046 1 3 . 1 1 9 9 TRP N N 9 124.446 124.446 119.129 5.317 25761 1047 1 3 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.352 -0.508 25761 1048 1 3 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.378 -0.242 25761 1049 1 3 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.503 -1.528 25761 1050 1 3 . 1 1 9 9 TRP H H 9 8.232 8.232 7.551 0.681 25761 1051 1 3 . 1 1 10 10 VAL N N 10 121.207 121.207 120.788 0.419 25761 1052 1 3 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.538 -0.373 25761 1053 1 3 . 1 1 10 10 VAL CA C 10 64.235 64.235 67.041 -2.806 25761 1054 1 3 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.899 -1.883 25761 1055 1 3 . 1 1 10 10 VAL H H 10 9.240 9.240 7.831 1.409 25761 1056 1 3 . 1 1 11 11 ALA N N 11 120.679 120.679 121.405 -0.726 25761 1057 1 3 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.940 -0.091 25761 1058 1 3 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.363 -2.884 25761 1059 1 3 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.953 -2.808 25761 1060 1 3 . 1 1 11 11 ALA H H 11 7.718 7.718 7.728 -0.010 25761 1061 1 3 . 1 1 12 12 ALA N N 12 120.217 120.217 121.146 -0.929 25761 1062 1 3 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.134 -0.229 25761 1063 1 3 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.648 -2.652 25761 1064 1 3 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.502 -3.563 25761 1065 1 3 . 1 1 12 12 ALA H H 12 7.642 7.642 7.543 0.099 25761 1066 1 3 . 1 1 13 13 LEU N N 13 122.821 122.821 120.943 1.878 25761 1067 1 3 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.020 -0.475 25761 1068 1 3 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.037 -2.496 25761 1069 1 3 . 1 1 13 13 LEU CB C 13 38.449 38.449 42.071 -3.622 25761 1070 1 3 . 1 1 13 13 LEU H H 13 7.320 7.320 8.149 -0.829 25761 1071 1 3 . 1 1 14 14 ILE N N 14 117.258 117.258 118.264 -1.006 25761 1072 1 3 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.538 -0.486 25761 1073 1 3 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.477 -2.272 25761 1074 1 3 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.619 -1.842 25761 1075 1 3 . 1 1 14 14 ILE H H 14 8.105 8.105 8.385 -0.280 25761 1076 1 3 . 1 1 15 15 ARG N N 15 117.921 117.921 119.005 -1.084 25761 1077 1 3 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.862 0.098 25761 1078 1 3 . 1 1 15 15 ARG CA C 15 56.068 56.068 60.152 -4.084 25761 1079 1 3 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.853 -2.551 25761 1080 1 3 . 1 1 15 15 ARG H H 15 7.574 7.574 7.527 0.047 25761 1081 1 3 . 1 1 16 16 ARG N N 16 118.635 118.635 119.057 -0.422 25761 1082 1 3 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.932 -0.231 25761 1083 1 3 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.089 -1.435 25761 1084 1 3 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.827 -1.696 25761 1085 1 3 . 1 1 16 16 ARG H H 16 7.832 7.832 8.068 -0.236 25761 1086 1 3 . 1 1 17 17 ALA N N 17 122.335 122.335 121.625 0.710 25761 1087 1 3 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.526 0.526 25761 1088 1 3 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.117 8.243 25761 1089 1 3 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.000 -2.447 25761 1090 1 3 . 1 1 17 17 ALA H H 17 7.856 7.856 7.298 0.558 25761 1091 1 3 . 1 1 18 18 GLU N N 18 118.223 118.223 119.855 -1.632 25761 1092 1 3 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.158 -0.167 25761 1093 1 3 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.731 -2.242 25761 1094 1 3 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.510 -2.724 25761 1095 1 3 . 1 1 18 18 GLU H H 18 8.303 8.303 7.778 0.525 25761 1096 1 3 . 1 1 19 19 LEU N N 19 122.454 122.454 119.997 2.457 25761 1097 1 3 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.160 -0.156 25761 1098 1 3 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.113 -2.256 25761 1099 1 3 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.716 -2.601 25761 1100 1 3 . 1 1 19 19 LEU H H 19 8.402 8.402 8.428 -0.026 25761 1101 1 3 . 1 1 20 20 GLY N N 20 105.446 105.446 104.021 1.425 25761 1102 1 3 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.874 -2.131 25761 1103 1 3 . 1 1 20 20 GLY H H 20 7.468 7.468 7.616 -0.148 25761 1104 1 3 . 1 1 21 21 GLY N N 21 107.714 107.714 107.385 0.329 25761 1105 1 3 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.821 -2.194 25761 1106 1 3 . 1 1 21 21 GLY H H 21 7.754 7.754 7.663 0.091 25761 1107 1 3 . 1 1 22 22 ALA N N 22 123.725 123.725 123.278 0.447 25761 1108 1 3 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.304 0.360 25761 1109 1 3 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.738 -3.500 25761 1110 1 3 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.343 -1.060 25761 1111 1 3 . 1 1 22 22 ALA H H 22 8.012 8.012 7.332 0.680 25761 1112 1 3 . 1 1 23 23 PHE N N 23 117.564 117.564 120.352 -2.788 25761 1113 1 3 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.720 0.119 25761 1114 1 3 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.539 -2.777 25761 1115 1 3 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.626 -1.970 25761 1116 1 3 . 1 1 23 23 PHE H H 23 8.128 8.128 8.403 -0.275 25761 1117 1 3 . 1 1 24 24 ALA N N 24 128.638 128.638 128.297 0.341 25761 1118 1 3 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.521 -0.069 25761 1119 1 3 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.170 -2.659 25761 1120 1 3 . 1 1 24 24 ALA CB C 24 21.378 21.378 21.942 -0.564 25761 1121 1 3 . 1 1 24 24 ALA H H 24 8.542 8.542 8.001 0.541 25761 1122 1 3 . 1 1 25 25 THR N N 25 115.207 115.207 113.906 1.301 25761 1123 1 3 . 1 1 25 25 THR HA H 25 4.394 4.394 4.473 -0.079 25761 1124 1 3 . 1 1 25 25 THR CA C 25 57.830 57.830 61.517 -3.687 25761 1125 1 3 . 1 1 25 25 THR CB C 25 69.095 69.095 71.111 -2.016 25761 1126 1 3 . 1 1 25 25 THR H H 25 9.003 9.003 8.237 0.766 25761 1127 1 3 . 1 1 26 26 VAL N N 26 125.712 125.712 123.562 2.150 25761 1128 1 3 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.709 -0.527 25761 1129 1 3 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.561 -1.075 25761 1130 1 3 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.432 -4.885 25761 1131 1 3 . 1 1 26 26 VAL H H 26 8.739 8.739 8.416 0.323 25761 1132 1 3 . 1 1 27 27 ALA N N 27 134.206 134.206 131.471 2.735 25761 1133 1 3 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.577 -0.332 25761 1134 1 3 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.116 -1.374 25761 1135 1 3 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.705 -4.174 25761 1136 1 3 . 1 1 27 27 ALA H H 27 8.412 8.412 9.267 -0.855 25761 1137 1 3 . 1 1 28 28 ARG N N 28 117.751 117.751 119.165 -1.414 25761 1138 1 3 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.382 -0.174 25761 1139 1 3 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.695 -2.037 25761 1140 1 3 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.817 -2.817 25761 1141 1 3 . 1 1 28 28 ARG H H 28 8.090 8.090 7.497 0.593 25761 1142 1 3 . 1 1 29 29 LYS N N 29 128.417 128.417 124.135 4.282 25761 1143 1 3 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.038 0.071 25761 1144 1 3 . 1 1 29 29 LYS CA C 29 52.792 52.792 53.615 -0.823 25761 1145 1 3 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.879 -2.590 25761 1146 1 3 . 1 1 29 29 LYS H H 29 8.536 8.536 8.256 0.280 25761 1147 1 3 . 1 1 30 30 GLY CA C 30 40.858 40.858 44.223 -3.365 25761 1148 1 3 . 1 1 31 31 ASP N N 31 120.477 120.477 121.228 -0.751 25761 1149 1 3 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.438 0.066 25761 1150 1 3 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.999 -2.362 25761 1151 1 3 . 1 1 31 31 ASP CB C 31 40.350 40.350 40.204 0.146 25761 1152 1 3 . 1 1 31 31 ASP H H 31 8.445 8.445 8.888 -0.443 25761 1153 1 3 . 1 1 32 32 ALA N N 32 133.865 133.865 121.885 11.980 25761 1154 1 3 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.170 0.199 25761 1155 1 3 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.053 -1.766 25761 1156 1 3 . 1 1 32 32 ALA CB C 32 17.055 17.055 18.152 -1.097 25761 1157 1 3 . 1 1 32 32 ALA H H 32 9.236 9.236 9.061 0.175 25761 1158 1 3 . 1 1 33 33 ARG N N 33 113.991 113.991 114.522 -0.531 25761 1159 1 3 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.441 -0.027 25761 1160 1 3 . 1 1 33 33 ARG CA C 33 55.785 55.785 56.867 -1.081 25761 1161 1 3 . 1 1 33 33 ARG CB C 33 28.183 28.183 32.806 -4.622 25761 1162 1 3 . 1 1 33 33 ARG H H 33 7.913 7.913 8.405 -0.492 25761 1163 1 3 . 1 1 34 34 ALA N N 34 120.593 120.593 122.308 -1.715 25761 1164 1 3 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.623 0.051 25761 1165 1 3 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.936 -2.400 25761 1166 1 3 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.837 -2.023 25761 1167 1 3 . 1 1 34 34 ALA H H 34 8.306 8.306 7.469 0.837 25761 1168 1 3 . 1 1 35 35 GLY N N 35 107.349 107.349 107.826 -0.477 25761 1169 1 3 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.297 0.153 25761 1170 1 3 . 1 1 35 35 GLY H H 35 7.715 7.715 7.634 0.081 25761 1171 1 3 . 1 1 36 36 ALA N N 36 127.073 127.073 128.429 -1.356 25761 1172 1 3 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.588 -0.230 25761 1173 1 3 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.385 -2.244 25761 1174 1 3 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.515 -3.548 25761 1175 1 3 . 1 1 36 36 ALA H H 36 8.935 8.935 8.235 0.700 25761 1176 1 3 . 1 1 37 37 VAL N N 37 116.903 116.903 115.791 1.112 25761 1177 1 3 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.183 -0.434 25761 1178 1 3 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.970 -2.388 25761 1179 1 3 . 1 1 37 37 VAL H H 37 7.830 7.830 8.515 -0.685 25761 1180 1 3 . 1 1 38 38 LEU N N 38 126.366 126.366 121.230 5.136 25761 1181 1 3 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.126 0.405 25761 1182 1 3 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.529 -2.654 25761 1183 1 3 . 1 1 38 38 LEU CB C 38 41.970 41.970 46.362 -4.392 25761 1184 1 3 . 1 1 38 38 LEU H H 38 8.926 8.926 8.394 0.532 25761 1185 1 3 . 1 1 39 39 VAL N N 39 121.843 121.843 120.614 1.229 25761 1186 1 3 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.574 0.305 25761 1187 1 3 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.969 -2.626 25761 1188 1 3 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.084 0.108 25761 1189 1 3 . 1 1 39 39 VAL H H 39 8.819 8.819 9.010 -0.191 25761 1190 1 3 . 1 1 40 40 LYS N N 40 129.592 129.592 128.236 1.356 25761 1191 1 3 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.486 0.793 25761 1192 1 3 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.761 -6.770 25761 1193 1 3 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.328 -2.646 25761 1194 1 3 . 1 1 40 40 LYS H H 40 9.438 9.438 8.071 1.367 25761 1195 1 3 . 1 1 41 41 ALA N N 41 131.659 131.659 129.503 2.156 25761 1196 1 3 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.219 0.030 25761 1197 1 3 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.190 1.626 25761 1198 1 3 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.262 -4.617 25761 1199 1 3 . 1 1 41 41 ALA H H 41 9.349 9.349 8.048 1.301 25761 1200 1 3 . 1 1 42 42 VAL N N 42 127.668 127.668 119.089 8.579 25761 1201 1 3 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.277 -0.008 25761 1202 1 3 . 1 1 42 42 VAL CA C 42 59.621 59.621 60.898 -1.277 25761 1203 1 3 . 1 1 42 42 VAL CB C 42 31.878 31.878 36.184 -4.306 25761 1204 1 3 . 1 1 42 42 VAL H H 42 9.517 9.517 8.146 1.371 25761 1205 1 3 . 1 1 43 43 ASP N N 43 127.524 127.524 125.534 1.990 25761 1206 1 3 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.271 -0.385 25761 1207 1 3 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.495 -2.865 25761 1208 1 3 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.679 -2.152 25761 1209 1 3 . 1 1 43 43 ASP H H 43 8.821 8.821 8.626 0.195 25761 1210 1 3 . 1 1 44 44 ARG N N 44 123.676 123.676 123.932 -0.256 25761 1211 1 3 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.259 -0.164 25761 1212 1 3 . 1 1 44 44 ARG CA C 44 54.671 54.671 56.500 -1.829 25761 1213 1 3 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.045 -1.951 25761 1214 1 3 . 1 1 44 44 ARG H H 44 8.435 8.435 8.262 0.173 25761 1215 1 3 . 1 1 45 45 ARG N N 45 120.486 120.486 120.427 0.059 25761 1216 1 3 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.202 -0.071 25761 1217 1 3 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.857 -2.250 25761 1218 1 3 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.794 -2.730 25761 1219 1 3 . 1 1 45 45 ARG H H 45 8.551 8.551 8.144 0.407 25761 1220 1 3 . 1 1 46 46 GLU N N 46 116.189 116.189 116.197 -0.008 25761 1221 1 3 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.311 -0.058 25761 1222 1 3 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.658 -3.220 25761 1223 1 3 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.504 -1.888 25761 1224 1 3 . 1 1 46 46 GLU H H 46 7.918 7.918 8.850 -0.932 25761 1225 1 3 . 1 1 47 47 GLY N N 47 108.218 108.218 108.873 -0.655 25761 1226 1 3 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.332 -1.362 25761 1227 1 3 . 1 1 47 47 GLY H H 47 8.159 8.159 8.303 -0.144 25761 1228 1 3 . 1 1 48 48 THR N N 48 109.683 109.683 111.425 -1.742 25761 1229 1 3 . 1 1 48 48 THR HA H 48 4.639 4.639 4.539 0.100 25761 1230 1 3 . 1 1 48 48 THR CA C 48 57.215 57.215 60.046 -2.831 25761 1231 1 3 . 1 1 48 48 THR CB C 48 69.275 69.275 71.219 -1.944 25761 1232 1 3 . 1 1 48 48 THR H H 48 7.485 7.485 7.684 -0.199 25761 1233 1 3 . 1 1 49 49 ALA N N 49 122.571 122.571 121.915 0.656 25761 1234 1 3 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.636 0.520 25761 1235 1 3 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.660 -3.648 25761 1236 1 3 . 1 1 49 49 ALA CB C 49 21.004 21.004 21.526 -0.522 25761 1237 1 3 . 1 1 49 49 ALA H H 49 8.530 8.530 8.446 0.084 25761 1238 1 3 . 1 1 50 50 ARG N N 50 115.654 115.654 118.119 -2.465 25761 1239 1 3 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.640 0.000 25761 1240 1 3 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.520 -2.014 25761 1241 1 3 . 1 1 50 50 ARG CB C 50 33.832 33.832 33.422 0.410 25761 1242 1 3 . 1 1 50 50 ARG H H 50 8.168 8.168 8.580 -0.412 25761 1243 1 3 . 1 1 51 51 LEU N N 51 122.400 122.400 119.753 2.647 25761 1244 1 3 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.228 1.046 25761 1245 1 3 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.858 -3.482 25761 1246 1 3 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.556 -1.397 25761 1247 1 3 . 1 1 51 51 LEU H H 51 8.213 8.213 7.642 0.571 25761 1248 1 3 . 1 1 52 52 PHE N N 52 124.579 124.579 120.189 4.390 25761 1249 1 3 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.311 0.239 25761 1250 1 3 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.463 -2.789 25761 1251 1 3 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.916 -2.297 25761 1252 1 3 . 1 1 52 52 PHE H H 52 9.546 9.546 8.643 0.903 25761 1253 1 3 . 1 1 53 53 SER N N 53 115.953 115.953 116.774 -0.821 25761 1254 1 3 . 1 1 53 53 SER HA H 53 5.267 5.267 5.180 0.087 25761 1255 1 3 . 1 1 53 53 SER CA C 53 53.513 53.513 57.104 -3.591 25761 1256 1 3 . 1 1 53 53 SER CB C 53 64.255 64.255 66.373 -2.118 25761 1257 1 3 . 1 1 53 53 SER H H 53 9.727 9.727 9.101 0.626 25761 1258 1 3 . 1 1 54 54 GLU N N 54 124.987 124.987 125.036 -0.049 25761 1259 1 3 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.305 -0.697 25761 1260 1 3 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.658 -2.341 25761 1261 1 3 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.321 2.356 25761 1262 1 3 . 1 1 54 54 GLU H H 54 8.431 8.431 8.156 0.275 25761 1263 1 3 . 1 1 55 55 ALA N N 55 127.789 127.789 125.574 2.215 25761 1264 1 3 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.615 -0.355 25761 1265 1 3 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.351 -3.346 25761 1266 1 3 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.460 -1.778 25761 1267 1 3 . 1 1 55 55 ALA H H 55 8.430 8.430 8.037 0.393 25761 1268 1 3 . 1 1 56 56 THR N N 56 111.341 111.341 111.403 -0.062 25761 1269 1 3 . 1 1 56 56 THR HA H 56 5.038 5.038 5.530 -0.492 25761 1270 1 3 . 1 1 56 56 THR CA C 56 58.078 58.078 59.562 -1.484 25761 1271 1 3 . 1 1 56 56 THR CB C 56 68.505 68.505 71.706 -3.200 25761 1272 1 3 . 1 1 56 56 THR H H 56 7.923 7.923 8.024 -0.101 25761 1273 1 3 . 1 1 57 57 ARG N N 57 124.295 124.295 121.001 3.294 25761 1274 1 3 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.771 -0.184 25761 1275 1 3 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.679 -2.354 25761 1276 1 3 . 1 1 57 57 ARG CB C 57 29.667 29.667 31.584 -1.917 25761 1277 1 3 . 1 1 57 57 ARG H H 57 9.054 9.054 8.537 0.517 25761 1278 1 3 . 1 1 58 58 GLY N N 58 109.220 109.220 108.338 0.882 25761 1279 1 3 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.373 -1.777 25761 1280 1 3 . 1 1 58 58 GLY H H 58 8.706 8.706 8.678 0.028 25761 1281 1 3 . 1 1 59 59 ASP N N 59 120.555 120.555 119.410 1.145 25761 1282 1 3 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.717 -0.131 25761 1283 1 3 . 1 1 59 59 ASP CA C 59 50.369 50.369 52.691 -2.322 25761 1284 1 3 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.004 -3.607 25761 1285 1 3 . 1 1 59 59 ASP H H 59 8.194 8.194 7.565 0.629 25761 1286 1 3 . 1 1 60 60 GLY N N 60 107.833 107.833 108.612 -0.779 25761 1287 1 3 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.508 -2.595 25761 1288 1 3 . 1 1 60 60 GLY H H 60 7.999 7.999 7.826 0.173 25761 1289 1 3 . 1 1 61 61 GLU N N 61 121.205 121.205 119.949 1.256 25761 1290 1 3 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.164 0.022 25761 1291 1 3 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.382 -2.388 25761 1292 1 3 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.199 -2.268 25761 1293 1 3 . 1 1 61 61 GLU H H 61 7.910 7.910 8.337 -0.427 25761 1294 1 3 . 1 1 62 62 ARG N N 62 125.261 125.261 126.863 -1.602 25761 1295 1 3 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.881 -0.069 25761 1296 1 3 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.687 -3.800 25761 1297 1 3 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.693 -2.775 25761 1298 1 3 . 1 1 62 62 ARG H H 62 8.219 8.219 8.354 -0.135 25761 1299 1 3 . 1 1 63 63 PHE N N 63 120.777 120.777 118.078 2.699 25761 1300 1 3 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.745 0.134 25761 1301 1 3 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.288 -2.488 25761 1302 1 3 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.269 -1.106 25761 1303 1 3 . 1 1 63 63 PHE H H 63 8.431 8.431 8.332 0.099 25761 1304 1 3 . 1 1 64 64 TRP N N 64 119.550 119.550 122.211 -2.661 25761 1305 1 3 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.239 -0.213 25761 1306 1 3 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.600 -2.411 25761 1307 1 3 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.823 0.060 25761 1308 1 3 . 1 1 64 64 TRP H H 64 8.914 8.914 8.656 0.258 25761 1309 1 3 . 1 1 65 65 MET N N 65 118.324 118.324 120.656 -2.332 25761 1310 1 3 . 1 1 65 65 MET HA H 65 5.156 5.156 5.123 0.033 25761 1311 1 3 . 1 1 65 65 MET CA C 65 50.438 50.438 54.671 -4.233 25761 1312 1 3 . 1 1 65 65 MET CB C 65 32.296 32.296 35.097 -2.801 25761 1313 1 3 . 1 1 65 65 MET H H 65 9.282 9.282 8.916 0.366 25761 1314 1 3 . 1 1 66 66 GLN N N 66 119.469 119.469 118.682 0.787 25761 1315 1 3 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.776 0.738 25761 1316 1 3 . 1 1 66 66 GLN CA C 66 49.965 49.965 53.080 -3.115 25761 1317 1 3 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.444 0.056 25761 1318 1 3 . 1 1 66 66 GLN H H 66 8.785 8.785 8.361 0.424 25761 1319 1 3 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.340 -0.219 25761 1320 1 3 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.562 -2.696 25761 1321 1 3 . 1 1 67 67 PRO CB C 67 30.037 30.037 31.791 -1.754 25761 1322 1 3 . 1 1 68 68 VAL N N 68 119.433 119.433 117.757 1.676 25761 1323 1 3 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.266 -0.307 25761 1324 1 3 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.814 -2.980 25761 1325 1 3 . 1 1 68 68 VAL CB C 68 31.032 31.032 33.208 -2.176 25761 1326 1 3 . 1 1 68 68 VAL H H 68 8.464 8.464 7.324 1.140 25761 1327 1 3 . 1 1 69 69 ARG N N 69 127.119 127.119 128.326 -1.207 25761 1328 1 3 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.322 0.014 25761 1329 1 3 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.173 -4.361 25761 1330 1 3 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.854 -2.931 25761 1331 1 3 . 1 1 69 69 ARG H H 69 8.519 8.519 8.835 -0.316 25761 1332 1 3 . 1 1 70 70 SER N N 70 115.574 115.574 113.111 2.463 25761 1333 1 3 . 1 1 70 70 SER HA H 70 4.598 4.598 4.776 -0.178 25761 1334 1 3 . 1 1 70 70 SER CA C 70 54.127 54.127 57.142 -3.015 25761 1335 1 3 . 1 1 70 70 SER CB C 70 62.189 62.189 64.626 -2.437 25761 1336 1 3 . 1 1 70 70 SER H H 70 7.955 7.955 7.712 0.243 25761 1337 1 3 . 1 1 71 71 THR N N 71 114.592 114.592 115.413 -0.821 25761 1338 1 3 . 1 1 71 71 THR HA H 71 5.244 5.244 4.574 0.670 25761 1339 1 3 . 1 1 71 71 THR CA C 71 58.147 58.147 60.880 -2.733 25761 1340 1 3 . 1 1 71 71 THR CB C 71 66.895 66.895 69.504 -2.609 25761 1341 1 3 . 1 1 71 71 THR H H 71 8.285 8.285 8.378 -0.093 25761 1342 1 3 . 1 1 72 72 PHE N N 72 125.101 125.101 123.234 1.867 25761 1343 1 3 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.359 0.582 25761 1344 1 3 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.854 -5.719 25761 1345 1 3 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.343 -2.412 25761 1346 1 3 . 1 1 72 72 PHE H H 72 8.649 8.649 7.765 0.884 25761 1347 1 3 . 1 1 73 73 GLU N N 73 129.014 129.014 125.925 3.089 25761 1348 1 3 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.052 -0.501 25761 1349 1 3 . 1 1 73 73 GLU CA C 73 59.415 59.415 60.839 -1.424 25761 1350 1 3 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.403 6.489 25761 1351 1 3 . 1 1 73 73 GLU H H 73 9.018 9.018 8.906 0.112 25761 1352 1 3 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.259 -2.162 25761 1353 1 3 . 1 1 75 75 ASP N N 75 116.246 116.246 119.382 -3.136 25761 1354 1 3 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.779 -0.329 25761 1355 1 3 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.505 -1.955 25761 1356 1 3 . 1 1 75 75 ASP CB C 75 37.741 37.741 42.216 -4.475 25761 1357 1 3 . 1 1 75 75 ASP H H 75 7.493 7.493 7.838 -0.345 25761 1358 1 3 . 1 1 76 76 LEU N N 76 121.503 121.503 121.551 -0.048 25761 1359 1 3 . 1 1 76 76 LEU HA H 76 3.986 3.986 3.967 0.019 25761 1360 1 3 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.299 -4.055 25761 1361 1 3 . 1 1 76 76 LEU CB C 76 37.239 37.239 41.954 -4.715 25761 1362 1 3 . 1 1 76 76 LEU H H 76 7.651 7.651 8.040 -0.389 25761 1363 1 3 . 1 1 77 77 ASP N N 77 120.554 120.554 118.458 2.096 25761 1364 1 3 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.349 -0.058 25761 1365 1 3 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.350 -2.655 25761 1366 1 3 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.575 -3.381 25761 1367 1 3 . 1 1 77 77 ASP H H 77 8.117 8.117 8.476 -0.359 25761 1368 1 3 . 1 1 78 78 ALA N N 78 121.953 121.953 122.339 -0.386 25761 1369 1 3 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.281 -0.138 25761 1370 1 3 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.556 -2.186 25761 1371 1 3 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.481 -3.082 25761 1372 1 3 . 1 1 78 78 ALA H H 78 7.904 7.904 8.112 -0.208 25761 1373 1 3 . 1 1 79 79 TYR N N 79 119.746 119.746 120.068 -0.322 25761 1374 1 3 . 1 1 79 79 TYR HA H 79 3.889 3.889 3.993 -0.104 25761 1375 1 3 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.349 -2.964 25761 1376 1 3 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.285 -2.474 25761 1377 1 3 . 1 1 79 79 TYR H H 79 7.422 7.422 8.403 -0.981 25761 1378 1 3 . 1 1 80 80 ALA N N 80 122.107 122.107 117.872 4.235 25761 1379 1 3 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.187 -0.417 25761 1380 1 3 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.340 -1.810 25761 1381 1 3 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.310 -2.932 25761 1382 1 3 . 1 1 80 80 ALA H H 80 8.376 8.376 8.128 0.248 25761 1383 1 3 . 1 1 81 81 GLU N N 81 118.620 118.620 118.222 0.398 25761 1384 1 3 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.235 -0.391 25761 1385 1 3 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.415 -1.702 25761 1386 1 3 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.882 -3.003 25761 1387 1 3 . 1 1 81 81 GLU H H 81 8.149 8.149 7.641 0.508 25761 1388 1 3 . 1 1 82 82 ARG N N 82 120.032 120.032 118.678 1.354 25761 1389 1 3 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.077 -0.329 25761 1390 1 3 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.616 -1.829 25761 1391 1 3 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.241 -5.088 25761 1392 1 3 . 1 1 82 82 ARG H H 82 7.535 7.535 8.172 -0.637 25761 1393 1 3 . 1 1 83 83 ALA N N 83 122.089 122.089 121.441 0.648 25761 1394 1 3 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.853 -0.145 25761 1395 1 3 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.984 -2.659 25761 1396 1 3 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.163 -2.494 25761 1397 1 3 . 1 1 83 83 ALA H H 83 8.467 8.467 8.289 0.178 25761 1398 1 3 . 1 1 84 84 ALA N N 84 118.529 118.529 118.276 0.253 25761 1399 1 3 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.207 0.035 25761 1400 1 3 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.707 -3.718 25761 1401 1 3 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.021 -2.840 25761 1402 1 3 . 1 1 84 84 ALA H H 84 7.517 7.517 8.339 -0.822 25761 1403 1 3 . 1 1 85 85 ARG N N 85 117.478 117.478 116.164 1.314 25761 1404 1 3 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.438 -0.451 25761 1405 1 3 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.341 -1.650 25761 1406 1 3 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.280 -3.694 25761 1407 1 3 . 1 1 85 85 ARG H H 85 7.278 7.278 7.706 -0.428 25761 1408 1 3 . 1 1 86 86 ILE N N 86 118.079 118.079 119.652 -1.573 25761 1409 1 3 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.153 -0.406 25761 1410 1 3 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.837 -1.306 25761 1411 1 3 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.490 -3.277 25761 1412 1 3 . 1 1 86 86 ILE H H 86 7.286 7.286 7.714 -0.428 25761 1413 1 3 . 1 1 87 87 ASP N N 87 117.833 117.833 121.576 -3.743 25761 1414 1 3 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.661 0.319 25761 1415 1 3 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.547 -6.905 25761 1416 1 3 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.914 -2.738 25761 1417 1 3 . 1 1 87 87 ASP H H 87 7.973 7.973 7.838 0.135 25761 1418 1 3 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.457 0.184 25761 1419 1 3 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.016 -3.467 25761 1420 1 3 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.206 -2.647 25761 1421 1 3 . 1 1 89 89 ASP N N 89 120.189 120.189 117.903 2.286 25761 1422 1 3 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.811 -0.125 25761 1423 1 3 . 1 1 89 89 ASP CB C 89 39.373 39.373 42.273 -2.900 25761 1424 1 3 . 1 1 89 89 ASP H H 89 7.960 7.960 8.201 -0.241 25761 1425 1 3 . 1 1 90 90 ILE N N 90 120.372 120.372 122.574 -2.202 25761 1426 1 3 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.761 -0.206 25761 1427 1 3 . 1 1 90 90 ILE CA C 90 60.022 60.022 58.895 1.127 25761 1428 1 3 . 1 1 90 90 ILE CB C 90 38.198 38.198 41.409 -3.211 25761 1429 1 3 . 1 1 90 90 ILE H H 90 7.234 7.234 8.369 -1.135 25761 1430 1 3 . 1 1 91 91 TRP N N 91 122.596 122.596 127.058 -4.462 25761 1431 1 3 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.934 -0.045 25761 1432 1 3 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.284 -3.617 25761 1433 1 3 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.091 -2.461 25761 1434 1 3 . 1 1 91 91 TRP H H 91 9.295 9.295 8.836 0.459 25761 1435 1 3 . 1 1 92 92 VAL N N 92 118.958 118.958 122.665 -3.707 25761 1436 1 3 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.388 0.760 25761 1437 1 3 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.591 -2.194 25761 1438 1 3 . 1 1 92 92 VAL CB C 92 31.825 31.825 32.795 -0.970 25761 1439 1 3 . 1 1 92 92 VAL H H 92 9.040 9.040 8.376 0.664 25761 1440 1 3 . 1 1 93 93 VAL N N 93 129.129 129.129 127.365 1.764 25761 1441 1 3 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.818 -0.049 25761 1442 1 3 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.968 -3.654 25761 1443 1 3 . 1 1 93 93 VAL CB C 93 32.548 32.548 34.724 -2.176 25761 1444 1 3 . 1 1 93 93 VAL H H 93 9.201 9.201 8.233 0.968 25761 1445 1 3 . 1 1 94 94 GLU N N 94 126.192 126.192 127.324 -1.132 25761 1446 1 3 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.099 0.313 25761 1447 1 3 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.211 -2.447 25761 1448 1 3 . 1 1 94 94 GLU CB C 94 29.584 29.584 30.747 -1.163 25761 1449 1 3 . 1 1 94 94 GLU H H 94 9.161 9.161 9.006 0.155 25761 1450 1 3 . 1 1 95 95 ILE N N 95 125.285 125.285 126.460 -1.175 25761 1451 1 3 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.343 0.428 25761 1452 1 3 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.744 -1.425 25761 1453 1 3 . 1 1 95 95 ILE CB C 95 38.475 38.475 35.950 2.525 25761 1454 1 3 . 1 1 95 95 ILE H H 95 9.347 9.347 8.297 1.050 25761 1455 1 3 . 1 1 96 96 GLU N N 96 128.539 128.539 128.491 0.048 25761 1456 1 3 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.363 0.792 25761 1457 1 3 . 1 1 96 96 GLU CA C 96 52.551 52.551 56.755 -4.204 25761 1458 1 3 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.152 -1.091 25761 1459 1 3 . 1 1 96 96 GLU H H 96 9.390 9.390 8.405 0.985 25761 1460 1 3 . 1 1 97 97 ASP N N 97 123.516 123.516 124.603 -1.087 25761 1461 1 3 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.018 0.301 25761 1462 1 3 . 1 1 97 97 ASP CA C 97 50.769 50.769 51.448 -0.679 25761 1463 1 3 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.376 1.462 25761 1464 1 3 . 1 1 97 97 ASP H H 97 8.582 8.582 8.029 0.553 25761 1465 1 3 . 1 1 98 98 ARG N N 98 127.597 127.597 120.839 6.758 25761 1466 1 3 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.099 -0.028 25761 1467 1 3 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.745 -3.259 25761 1468 1 3 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.301 -2.731 25761 1469 1 3 . 1 1 98 98 ARG H H 98 8.914 8.914 8.659 0.255 25761 1470 1 3 . 1 1 99 99 ASP N N 99 115.196 115.196 118.169 -2.973 25761 1471 1 3 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.639 0.339 25761 1472 1 3 . 1 1 99 99 ASP CA C 99 51.008 51.008 54.126 -3.118 25761 1473 1 3 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.729 -0.947 25761 1474 1 3 . 1 1 99 99 ASP H H 99 7.379 7.379 8.096 -0.717 25761 1475 1 3 . 1 1 100 100 GLY N N 100 106.976 106.976 106.923 0.053 25761 1476 1 3 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.764 -1.131 25761 1477 1 3 . 1 1 100 100 GLY H H 100 7.481 7.481 7.391 0.090 25761 1478 1 3 . 1 1 101 101 ARG N N 101 120.072 120.072 118.729 1.343 25761 1479 1 3 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.085 -0.643 25761 1480 1 3 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.657 -2.470 25761 1481 1 3 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.275 -3.416 25761 1482 1 3 . 1 1 101 101 ARG H H 101 8.798 8.798 8.099 0.699 25761 1483 1 3 . 1 1 102 102 HIS N N 102 112.990 112.990 116.160 -3.170 25761 1484 1 3 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.731 -0.378 25761 1485 1 3 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.681 -3.998 25761 1486 1 3 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.519 -0.995 25761 1487 1 3 . 1 1 102 102 HIS H H 102 5.928 5.928 8.084 -2.156 25761 1488 1 3 . 1 1 103 103 PHE N N 103 106.623 106.623 115.018 -8.395 25761 1489 1 3 . 1 1 103 103 PHE HA H 103 3.393 3.393 3.934 -0.541 25761 1490 1 3 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.348 -1.473 25761 1491 1 3 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.827 -3.476 25761 1492 1 3 . 1 1 103 103 PHE H H 103 6.660 6.660 7.403 -0.743 25761 1493 1 3 . 1 1 104 104 LEU N N 104 123.743 123.743 118.832 4.911 25761 1494 1 3 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.180 0.068 25761 1495 1 3 . 1 1 104 104 LEU CA C 104 52.850 52.850 56.259 -3.409 25761 1496 1 3 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.026 -3.769 25761 1497 1 3 . 1 1 104 104 LEU H H 104 10.737 10.737 7.544 3.193 25761 1498 1 3 . 1 1 105 105 THR N N 105 113.822 113.822 111.398 2.424 25761 1499 1 3 . 1 1 105 105 THR HA H 105 4.313 4.313 4.446 -0.133 25761 1500 1 3 . 1 1 105 105 THR CA C 105 59.658 59.658 62.066 -2.408 25761 1501 1 3 . 1 1 105 105 THR CB C 105 66.210 66.210 69.209 -2.998 25761 1502 1 3 . 1 1 105 105 THR H H 105 9.213 9.213 8.209 1.004 25761 1503 1 3 . 1 1 106 106 GLU N N 106 123.871 123.871 123.000 0.871 25761 1504 1 3 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.582 0.031 25761 1505 1 3 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.117 -5.982 25761 1506 1 3 . 1 1 106 106 GLU H H 106 7.734 7.734 8.351 -0.617 25761 1507 1 3 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.550 -0.286 25761 1508 1 3 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.614 -1.150 25761 1509 1 3 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.672 -2.869 25761 1510 1 3 . 1 1 108 108 VAL N N 108 120.628 120.628 118.973 1.655 25761 1511 1 3 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.268 -3.460 25761 1512 1 3 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.984 -1.794 25761 1513 1 3 . 1 1 108 108 VAL H H 108 8.137 8.137 8.311 -0.174 25761 1514 1 3 . 1 1 109 109 GLU N N 109 128.850 128.850 127.834 1.016 25761 1515 1 3 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.553 -0.114 25761 1516 1 3 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.216 -2.308 25761 1517 1 3 . 1 1 109 109 GLU CB C 109 28.447 28.447 30.895 -2.448 25761 1518 1 3 . 1 1 109 109 GLU H H 109 9.095 9.095 8.838 0.257 25761 1519 1 4 . 1 1 2 2 MET HA H 2 4.380 4.380 4.520 -0.140 25761 1520 1 4 . 1 1 2 2 MET CA C 2 52.819 52.819 55.382 -2.563 25761 1521 1 4 . 1 1 2 2 MET CB C 2 30.830 30.830 33.202 -2.372 25761 1522 1 4 . 1 1 3 3 LEU N N 3 123.960 123.960 124.904 -0.944 25761 1523 1 4 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.708 -0.418 25761 1524 1 4 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.939 -2.269 25761 1525 1 4 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.038 -2.110 25761 1526 1 4 . 1 1 3 3 LEU H H 3 8.399 8.399 8.431 -0.032 25761 1527 1 4 . 1 1 4 4 LEU N N 4 123.372 123.372 125.104 -1.732 25761 1528 1 4 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.450 0.007 25761 1529 1 4 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.258 -2.611 25761 1530 1 4 . 1 1 4 4 LEU CB C 4 41.002 41.002 43.075 -2.073 25761 1531 1 4 . 1 1 4 4 LEU H H 4 8.134 8.134 8.222 -0.088 25761 1532 1 4 . 1 1 5 5 SER N N 5 117.439 117.439 112.423 5.016 25761 1533 1 4 . 1 1 5 5 SER HA H 5 4.628 4.628 4.397 0.231 25761 1534 1 4 . 1 1 5 5 SER CA C 5 56.192 56.192 56.437 -0.245 25761 1535 1 4 . 1 1 5 5 SER CB C 5 61.291 61.291 65.567 -4.276 25761 1536 1 4 . 1 1 5 5 SER H H 5 8.075 8.075 7.376 0.699 25761 1537 1 4 . 1 1 6 6 THR N N 6 121.297 121.297 118.826 2.471 25761 1538 1 4 . 1 1 6 6 THR HA H 6 3.713 3.713 3.888 -0.175 25761 1539 1 4 . 1 1 6 6 THR CA C 6 64.981 64.981 67.534 -2.553 25761 1540 1 4 . 1 1 6 6 THR CB C 6 65.860 65.860 68.633 -2.773 25761 1541 1 4 . 1 1 6 6 THR H H 6 7.681 7.681 8.260 -0.579 25761 1542 1 4 . 1 1 7 7 ASP N N 7 119.550 119.550 120.008 -0.458 25761 1543 1 4 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.799 -0.057 25761 1544 1 4 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.740 -1.743 25761 1545 1 4 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.626 -3.834 25761 1546 1 4 . 1 1 7 7 ASP H H 7 9.044 9.044 7.438 1.606 25761 1547 1 4 . 1 1 8 8 ILE N N 8 123.495 123.495 119.036 4.459 25761 1548 1 4 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.765 -0.044 25761 1549 1 4 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.519 -2.544 25761 1550 1 4 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.560 -1.433 25761 1551 1 4 . 1 1 8 8 ILE H H 8 7.749 7.749 7.158 0.591 25761 1552 1 4 . 1 1 9 9 TRP N N 9 124.446 124.446 119.998 4.448 25761 1553 1 4 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.435 -0.591 25761 1554 1 4 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.030 0.106 25761 1555 1 4 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.451 -1.476 25761 1556 1 4 . 1 1 9 9 TRP H H 9 8.232 8.232 7.147 1.085 25761 1557 1 4 . 1 1 10 10 VAL N N 10 121.207 121.207 120.108 1.099 25761 1558 1 4 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.487 -0.322 25761 1559 1 4 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.756 -2.521 25761 1560 1 4 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.248 -2.232 25761 1561 1 4 . 1 1 10 10 VAL H H 10 9.240 9.240 7.844 1.396 25761 1562 1 4 . 1 1 11 11 ALA N N 11 120.679 120.679 121.333 -0.654 25761 1563 1 4 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.926 -0.077 25761 1564 1 4 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.376 -2.897 25761 1565 1 4 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.913 -2.768 25761 1566 1 4 . 1 1 11 11 ALA H H 11 7.718 7.718 8.054 -0.336 25761 1567 1 4 . 1 1 12 12 ALA N N 12 120.217 120.217 121.876 -1.659 25761 1568 1 4 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.067 -0.162 25761 1569 1 4 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.795 -2.799 25761 1570 1 4 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.393 -3.454 25761 1571 1 4 . 1 1 12 12 ALA H H 12 7.642 7.642 7.705 -0.063 25761 1572 1 4 . 1 1 13 13 LEU N N 13 122.821 122.821 120.673 2.148 25761 1573 1 4 . 1 1 13 13 LEU HA H 13 3.545 3.545 3.963 -0.418 25761 1574 1 4 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.094 -2.553 25761 1575 1 4 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.948 -3.499 25761 1576 1 4 . 1 1 13 13 LEU H H 13 7.320 7.320 8.188 -0.868 25761 1577 1 4 . 1 1 14 14 ILE N N 14 117.258 117.258 118.404 -1.146 25761 1578 1 4 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.567 -0.515 25761 1579 1 4 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.004 -1.799 25761 1580 1 4 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.737 -1.960 25761 1581 1 4 . 1 1 14 14 ILE H H 14 8.105 8.105 8.211 -0.106 25761 1582 1 4 . 1 1 15 15 ARG N N 15 117.921 117.921 117.895 0.026 25761 1583 1 4 . 1 1 15 15 ARG HA H 15 3.960 3.960 4.100 -0.140 25761 1584 1 4 . 1 1 15 15 ARG CA C 15 56.068 56.068 58.036 -1.968 25761 1585 1 4 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.840 -2.538 25761 1586 1 4 . 1 1 15 15 ARG H H 15 7.574 7.574 8.172 -0.598 25761 1587 1 4 . 1 1 16 16 ARG N N 16 118.635 118.635 116.219 2.416 25761 1588 1 4 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.502 -0.801 25761 1589 1 4 . 1 1 16 16 ARG CA C 16 57.654 57.654 56.375 1.279 25761 1590 1 4 . 1 1 16 16 ARG CB C 16 28.131 28.131 30.320 -2.189 25761 1591 1 4 . 1 1 16 16 ARG H H 16 7.832 7.832 7.799 0.033 25761 1592 1 4 . 1 1 17 17 ALA N N 17 122.335 122.335 123.633 -1.298 25761 1593 1 4 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.187 0.865 25761 1594 1 4 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.301 8.059 25761 1595 1 4 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.509 -2.956 25761 1596 1 4 . 1 1 17 17 ALA H H 17 7.856 7.856 8.142 -0.286 25761 1597 1 4 . 1 1 18 18 GLU N N 18 118.223 118.223 119.460 -1.237 25761 1598 1 4 . 1 1 18 18 GLU HA H 18 3.991 3.991 3.935 0.056 25761 1599 1 4 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.755 -2.265 25761 1600 1 4 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.069 -2.283 25761 1601 1 4 . 1 1 18 18 GLU H H 18 8.303 8.303 7.581 0.722 25761 1602 1 4 . 1 1 19 19 LEU N N 19 122.454 122.454 120.397 2.057 25761 1603 1 4 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.172 -0.168 25761 1604 1 4 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.558 -1.701 25761 1605 1 4 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.833 -2.718 25761 1606 1 4 . 1 1 19 19 LEU H H 19 8.402 8.402 8.029 0.373 25761 1607 1 4 . 1 1 20 20 GLY N N 20 105.446 105.446 104.895 0.551 25761 1608 1 4 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.870 -2.127 25761 1609 1 4 . 1 1 20 20 GLY H H 20 7.468 7.468 7.720 -0.252 25761 1610 1 4 . 1 1 21 21 GLY N N 21 107.714 107.714 107.758 -0.044 25761 1611 1 4 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.818 -2.191 25761 1612 1 4 . 1 1 21 21 GLY H H 21 7.754 7.754 8.045 -0.291 25761 1613 1 4 . 1 1 22 22 ALA N N 22 123.725 123.725 121.632 2.093 25761 1614 1 4 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.720 -0.056 25761 1615 1 4 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.050 -2.812 25761 1616 1 4 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.448 -2.165 25761 1617 1 4 . 1 1 22 22 ALA H H 22 8.012 8.012 7.298 0.714 25761 1618 1 4 . 1 1 23 23 PHE N N 23 117.564 117.564 118.503 -0.939 25761 1619 1 4 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.691 0.148 25761 1620 1 4 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.016 -3.254 25761 1621 1 4 . 1 1 23 23 PHE CB C 23 38.656 38.656 42.905 -4.249 25761 1622 1 4 . 1 1 23 23 PHE H H 23 8.128 8.128 8.121 0.007 25761 1623 1 4 . 1 1 24 24 ALA N N 24 128.638 128.638 129.290 -0.652 25761 1624 1 4 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.420 0.032 25761 1625 1 4 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.175 -3.664 25761 1626 1 4 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.475 -1.097 25761 1627 1 4 . 1 1 24 24 ALA H H 24 8.542 8.542 8.013 0.529 25761 1628 1 4 . 1 1 25 25 THR N N 25 115.207 115.207 113.773 1.434 25761 1629 1 4 . 1 1 25 25 THR HA H 25 4.394 4.394 4.541 -0.147 25761 1630 1 4 . 1 1 25 25 THR CA C 25 57.830 57.830 61.045 -3.215 25761 1631 1 4 . 1 1 25 25 THR CB C 25 69.095 69.095 71.359 -2.264 25761 1632 1 4 . 1 1 25 25 THR H H 25 9.003 9.003 8.591 0.411 25761 1633 1 4 . 1 1 26 26 VAL N N 26 125.712 125.712 122.352 3.360 25761 1634 1 4 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.708 -0.526 25761 1635 1 4 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.301 -0.815 25761 1636 1 4 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.848 -4.300 25761 1637 1 4 . 1 1 26 26 VAL H H 26 8.739 8.739 8.380 0.359 25761 1638 1 4 . 1 1 27 27 ALA N N 27 134.206 134.206 132.603 1.603 25761 1639 1 4 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.329 -0.084 25761 1640 1 4 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.459 -1.718 25761 1641 1 4 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.623 -3.092 25761 1642 1 4 . 1 1 27 27 ALA H H 27 8.412 8.412 9.013 -0.601 25761 1643 1 4 . 1 1 28 28 ARG N N 28 117.751 117.751 118.579 -0.828 25761 1644 1 4 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.548 -0.340 25761 1645 1 4 . 1 1 28 28 ARG CA C 28 53.658 53.658 54.925 -1.266 25761 1646 1 4 . 1 1 28 28 ARG CB C 28 31.000 31.000 34.219 -3.219 25761 1647 1 4 . 1 1 28 28 ARG H H 28 8.090 8.090 7.421 0.669 25761 1648 1 4 . 1 1 29 29 LYS N N 29 128.417 128.417 120.807 7.610 25761 1649 1 4 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.425 -0.316 25761 1650 1 4 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.924 -2.132 25761 1651 1 4 . 1 1 29 29 LYS CB C 29 30.289 30.289 34.489 -4.200 25761 1652 1 4 . 1 1 29 29 LYS H H 29 8.536 8.536 8.317 0.219 25761 1653 1 4 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.313 -2.455 25761 1654 1 4 . 1 1 31 31 ASP N N 31 120.477 120.477 120.644 -0.167 25761 1655 1 4 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.656 -0.152 25761 1656 1 4 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.774 -2.137 25761 1657 1 4 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.464 -2.114 25761 1658 1 4 . 1 1 31 31 ASP H H 31 8.445 8.445 8.172 0.273 25761 1659 1 4 . 1 1 32 32 ALA N N 32 133.865 133.865 130.059 3.806 25761 1660 1 4 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.525 -0.156 25761 1661 1 4 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.203 -0.916 25761 1662 1 4 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.294 -2.239 25761 1663 1 4 . 1 1 32 32 ALA H H 32 9.236 9.236 8.896 0.340 25761 1664 1 4 . 1 1 33 33 ARG N N 33 113.991 113.991 120.028 -6.037 25761 1665 1 4 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.214 0.200 25761 1666 1 4 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.333 -2.548 25761 1667 1 4 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.153 -2.970 25761 1668 1 4 . 1 1 33 33 ARG H H 33 7.913 7.913 8.708 -0.795 25761 1669 1 4 . 1 1 34 34 ALA N N 34 120.593 120.593 119.402 1.191 25761 1670 1 4 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.860 -0.186 25761 1671 1 4 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.716 -2.180 25761 1672 1 4 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.574 -1.760 25761 1673 1 4 . 1 1 34 34 ALA H H 34 8.306 8.306 8.607 -0.301 25761 1674 1 4 . 1 1 35 35 GLY N N 35 107.349 107.349 107.870 -0.521 25761 1675 1 4 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.377 0.074 25761 1676 1 4 . 1 1 35 35 GLY H H 35 7.715 7.715 7.818 -0.103 25761 1677 1 4 . 1 1 36 36 ALA N N 36 127.073 127.073 125.531 1.542 25761 1678 1 4 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.560 -0.202 25761 1679 1 4 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.952 -2.811 25761 1680 1 4 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.171 -3.204 25761 1681 1 4 . 1 1 36 36 ALA H H 36 8.935 8.935 8.435 0.500 25761 1682 1 4 . 1 1 37 37 VAL N N 37 116.903 116.903 118.181 -1.278 25761 1683 1 4 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.180 -0.431 25761 1684 1 4 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.857 -2.275 25761 1685 1 4 . 1 1 37 37 VAL H H 37 7.830 7.830 8.292 -0.462 25761 1686 1 4 . 1 1 38 38 LEU N N 38 126.366 126.366 125.196 1.170 25761 1687 1 4 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.211 0.320 25761 1688 1 4 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.518 -2.643 25761 1689 1 4 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.739 -2.769 25761 1690 1 4 . 1 1 38 38 LEU H H 38 8.926 8.926 8.629 0.297 25761 1691 1 4 . 1 1 39 39 VAL N N 39 121.843 121.843 122.186 -0.343 25761 1692 1 4 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.657 0.222 25761 1693 1 4 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.211 -2.868 25761 1694 1 4 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.204 -0.012 25761 1695 1 4 . 1 1 39 39 VAL H H 39 8.819 8.819 9.004 -0.185 25761 1696 1 4 . 1 1 40 40 LYS N N 40 129.592 129.592 128.441 1.151 25761 1697 1 4 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.660 0.619 25761 1698 1 4 . 1 1 40 40 LYS CA C 40 47.991 47.991 55.658 -7.667 25761 1699 1 4 . 1 1 40 40 LYS CB C 40 31.682 31.682 33.981 -2.299 25761 1700 1 4 . 1 1 40 40 LYS H H 40 9.438 9.438 8.202 1.236 25761 1701 1 4 . 1 1 41 41 ALA N N 41 131.659 131.659 130.432 1.227 25761 1702 1 4 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.012 0.237 25761 1703 1 4 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.346 1.470 25761 1704 1 4 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.529 -3.884 25761 1705 1 4 . 1 1 41 41 ALA H H 41 9.349 9.349 8.881 0.468 25761 1706 1 4 . 1 1 42 42 VAL N N 42 127.668 127.668 125.328 2.340 25761 1707 1 4 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.311 -0.042 25761 1708 1 4 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.755 -2.134 25761 1709 1 4 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.014 -2.136 25761 1710 1 4 . 1 1 42 42 VAL H H 42 9.517 9.517 8.783 0.734 25761 1711 1 4 . 1 1 43 43 ASP N N 43 127.524 127.524 126.579 0.945 25761 1712 1 4 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.079 -0.193 25761 1713 1 4 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.373 -3.743 25761 1714 1 4 . 1 1 43 43 ASP CB C 43 38.527 38.527 43.148 -4.621 25761 1715 1 4 . 1 1 43 43 ASP H H 43 8.821 8.821 8.564 0.257 25761 1716 1 4 . 1 1 44 44 ARG N N 44 123.676 123.676 123.942 -0.266 25761 1717 1 4 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.579 -0.484 25761 1718 1 4 . 1 1 44 44 ARG CA C 44 54.671 54.671 55.234 -0.563 25761 1719 1 4 . 1 1 44 44 ARG CB C 44 28.094 28.094 31.509 -3.415 25761 1720 1 4 . 1 1 44 44 ARG H H 44 8.435 8.435 8.928 -0.493 25761 1721 1 4 . 1 1 45 45 ARG N N 45 120.486 120.486 120.490 -0.004 25761 1722 1 4 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.365 -0.234 25761 1723 1 4 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.565 -1.958 25761 1724 1 4 . 1 1 45 45 ARG CB C 45 28.064 28.064 31.331 -3.267 25761 1725 1 4 . 1 1 45 45 ARG H H 45 8.551 8.551 8.516 0.035 25761 1726 1 4 . 1 1 46 46 GLU N N 46 116.189 116.189 117.166 -0.977 25761 1727 1 4 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.352 -0.099 25761 1728 1 4 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.462 -3.025 25761 1729 1 4 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.417 -1.801 25761 1730 1 4 . 1 1 46 46 GLU H H 46 7.918 7.918 8.872 -0.954 25761 1731 1 4 . 1 1 47 47 GLY N N 47 108.218 108.218 109.016 -0.798 25761 1732 1 4 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.545 -1.575 25761 1733 1 4 . 1 1 47 47 GLY H H 47 8.159 8.159 8.887 -0.728 25761 1734 1 4 . 1 1 48 48 THR N N 48 109.683 109.683 110.772 -1.089 25761 1735 1 4 . 1 1 48 48 THR HA H 48 4.639 4.639 4.318 0.321 25761 1736 1 4 . 1 1 48 48 THR CA C 48 57.215 57.215 60.795 -3.580 25761 1737 1 4 . 1 1 48 48 THR CB C 48 69.275 69.275 70.565 -1.290 25761 1738 1 4 . 1 1 48 48 THR H H 48 7.485 7.485 7.265 0.220 25761 1739 1 4 . 1 1 49 49 ALA N N 49 122.571 122.571 121.154 1.417 25761 1740 1 4 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.058 0.098 25761 1741 1 4 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.370 -3.360 25761 1742 1 4 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.067 -1.063 25761 1743 1 4 . 1 1 49 49 ALA H H 49 8.530 8.530 8.399 0.131 25761 1744 1 4 . 1 1 50 50 ARG N N 50 115.654 115.654 118.530 -2.876 25761 1745 1 4 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.657 -0.017 25761 1746 1 4 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.712 -3.206 25761 1747 1 4 . 1 1 50 50 ARG CB C 50 33.832 33.832 33.434 0.398 25761 1748 1 4 . 1 1 50 50 ARG H H 50 8.168 8.168 8.532 -0.364 25761 1749 1 4 . 1 1 51 51 LEU N N 51 122.400 122.400 122.810 -0.410 25761 1750 1 4 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.482 0.792 25761 1751 1 4 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.769 -3.393 25761 1752 1 4 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.450 -0.291 25761 1753 1 4 . 1 1 51 51 LEU H H 51 8.213 8.213 8.394 -0.181 25761 1754 1 4 . 1 1 52 52 PHE N N 52 124.579 124.579 124.163 0.416 25761 1755 1 4 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.452 0.098 25761 1756 1 4 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.132 -2.458 25761 1757 1 4 . 1 1 52 52 PHE CB C 52 40.619 40.619 41.991 -1.372 25761 1758 1 4 . 1 1 52 52 PHE H H 52 9.546 9.546 8.822 0.724 25761 1759 1 4 . 1 1 53 53 SER N N 53 115.953 115.953 115.700 0.253 25761 1760 1 4 . 1 1 53 53 SER HA H 53 5.267 5.267 5.377 -0.110 25761 1761 1 4 . 1 1 53 53 SER CA C 53 53.513 53.513 56.950 -3.437 25761 1762 1 4 . 1 1 53 53 SER CB C 53 64.255 64.255 66.762 -2.507 25761 1763 1 4 . 1 1 53 53 SER H H 53 9.727 9.727 9.315 0.412 25761 1764 1 4 . 1 1 54 54 GLU N N 54 124.987 124.987 126.009 -1.022 25761 1765 1 4 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.345 -0.737 25761 1766 1 4 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.442 -2.125 25761 1767 1 4 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.068 2.609 25761 1768 1 4 . 1 1 54 54 GLU H H 54 8.431 8.431 8.042 0.389 25761 1769 1 4 . 1 1 55 55 ALA N N 55 127.789 127.789 125.836 1.953 25761 1770 1 4 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.544 -0.284 25761 1771 1 4 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.280 -3.275 25761 1772 1 4 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.146 -1.464 25761 1773 1 4 . 1 1 55 55 ALA H H 55 8.430 8.430 7.441 0.989 25761 1774 1 4 . 1 1 56 56 THR N N 56 111.341 111.341 110.729 0.612 25761 1775 1 4 . 1 1 56 56 THR HA H 56 5.038 5.038 5.507 -0.469 25761 1776 1 4 . 1 1 56 56 THR CA C 56 58.078 58.078 59.923 -1.845 25761 1777 1 4 . 1 1 56 56 THR CB C 56 68.505 68.505 72.250 -3.745 25761 1778 1 4 . 1 1 56 56 THR H H 56 7.923 7.923 8.013 -0.090 25761 1779 1 4 . 1 1 57 57 ARG N N 57 124.295 124.295 120.596 3.699 25761 1780 1 4 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.754 -0.167 25761 1781 1 4 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.646 -2.321 25761 1782 1 4 . 1 1 57 57 ARG CB C 57 29.667 29.667 32.169 -2.502 25761 1783 1 4 . 1 1 57 57 ARG H H 57 9.054 9.054 8.489 0.565 25761 1784 1 4 . 1 1 58 58 GLY N N 58 109.220 109.220 112.060 -2.840 25761 1785 1 4 . 1 1 58 58 GLY CA C 58 44.596 44.596 47.127 -2.531 25761 1786 1 4 . 1 1 58 58 GLY H H 58 8.706 8.706 8.733 -0.027 25761 1787 1 4 . 1 1 59 59 ASP N N 59 120.555 120.555 125.827 -5.272 25761 1788 1 4 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.651 -0.065 25761 1789 1 4 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.289 -2.920 25761 1790 1 4 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.145 -3.748 25761 1791 1 4 . 1 1 59 59 ASP H H 59 8.194 8.194 8.302 -0.108 25761 1792 1 4 . 1 1 60 60 GLY N N 60 107.833 107.833 108.614 -0.781 25761 1793 1 4 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.429 -2.516 25761 1794 1 4 . 1 1 60 60 GLY H H 60 7.999 7.999 7.918 0.081 25761 1795 1 4 . 1 1 61 61 GLU N N 61 121.205 121.205 120.881 0.324 25761 1796 1 4 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.204 -0.018 25761 1797 1 4 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.481 -2.487 25761 1798 1 4 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.182 -2.251 25761 1799 1 4 . 1 1 61 61 GLU H H 61 7.910 7.910 8.402 -0.492 25761 1800 1 4 . 1 1 62 62 ARG N N 62 125.261 125.261 127.363 -2.102 25761 1801 1 4 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.956 -0.144 25761 1802 1 4 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.608 -3.721 25761 1803 1 4 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.540 -2.622 25761 1804 1 4 . 1 1 62 62 ARG H H 62 8.219 8.219 8.244 -0.025 25761 1805 1 4 . 1 1 63 63 PHE N N 63 120.777 120.777 118.576 2.201 25761 1806 1 4 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.693 0.186 25761 1807 1 4 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.637 -2.837 25761 1808 1 4 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.496 -1.333 25761 1809 1 4 . 1 1 63 63 PHE H H 63 8.431 8.431 7.782 0.649 25761 1810 1 4 . 1 1 64 64 TRP N N 64 119.550 119.550 120.287 -0.737 25761 1811 1 4 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.176 -0.150 25761 1812 1 4 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.499 -2.310 25761 1813 1 4 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.586 -0.703 25761 1814 1 4 . 1 1 64 64 TRP H H 64 8.914 8.914 7.996 0.918 25761 1815 1 4 . 1 1 65 65 MET N N 65 118.324 118.324 121.386 -3.062 25761 1816 1 4 . 1 1 65 65 MET HA H 65 5.156 5.156 5.161 -0.005 25761 1817 1 4 . 1 1 65 65 MET CA C 65 50.438 50.438 54.421 -3.983 25761 1818 1 4 . 1 1 65 65 MET CB C 65 32.296 32.296 34.890 -2.594 25761 1819 1 4 . 1 1 65 65 MET H H 65 9.282 9.282 8.815 0.467 25761 1820 1 4 . 1 1 66 66 GLN N N 66 119.469 119.469 116.994 2.475 25761 1821 1 4 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.130 0.384 25761 1822 1 4 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.310 -2.345 25761 1823 1 4 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.335 0.165 25761 1824 1 4 . 1 1 66 66 GLN H H 66 8.785 8.785 8.950 -0.165 25761 1825 1 4 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.386 -0.265 25761 1826 1 4 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.681 -2.815 25761 1827 1 4 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.193 -2.156 25761 1828 1 4 . 1 1 68 68 VAL N N 68 119.433 119.433 121.186 -1.753 25761 1829 1 4 . 1 1 68 68 VAL HA H 68 3.959 3.959 3.927 0.032 25761 1830 1 4 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.222 -4.388 25761 1831 1 4 . 1 1 68 68 VAL CB C 68 31.032 31.032 30.211 0.821 25761 1832 1 4 . 1 1 68 68 VAL H H 68 8.464 8.464 7.695 0.769 25761 1833 1 4 . 1 1 69 69 ARG N N 69 127.119 127.119 126.999 0.120 25761 1834 1 4 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.193 0.143 25761 1835 1 4 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.087 -4.274 25761 1836 1 4 . 1 1 69 69 ARG CB C 69 25.923 25.923 27.964 -2.041 25761 1837 1 4 . 1 1 69 69 ARG H H 69 8.519 8.519 8.333 0.186 25761 1838 1 4 . 1 1 70 70 SER N N 70 115.574 115.574 114.962 0.612 25761 1839 1 4 . 1 1 70 70 SER HA H 70 4.598 4.598 4.670 -0.072 25761 1840 1 4 . 1 1 70 70 SER CA C 70 54.127 54.127 56.803 -2.676 25761 1841 1 4 . 1 1 70 70 SER CB C 70 62.189 62.189 65.002 -2.813 25761 1842 1 4 . 1 1 70 70 SER H H 70 7.955 7.955 7.804 0.151 25761 1843 1 4 . 1 1 71 71 THR N N 71 114.592 114.592 112.825 1.767 25761 1844 1 4 . 1 1 71 71 THR HA H 71 5.244 5.244 4.576 0.668 25761 1845 1 4 . 1 1 71 71 THR CA C 71 58.147 58.147 61.669 -3.522 25761 1846 1 4 . 1 1 71 71 THR CB C 71 66.895 66.895 69.876 -2.981 25761 1847 1 4 . 1 1 71 71 THR H H 71 8.285 8.285 8.343 -0.058 25761 1848 1 4 . 1 1 72 72 PHE N N 72 125.101 125.101 123.370 1.731 25761 1849 1 4 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.596 0.345 25761 1850 1 4 . 1 1 72 72 PHE CA C 72 53.135 53.135 55.519 -2.384 25761 1851 1 4 . 1 1 72 72 PHE CB C 72 36.931 36.931 40.286 -3.355 25761 1852 1 4 . 1 1 72 72 PHE H H 72 8.649 8.649 8.108 0.541 25761 1853 1 4 . 1 1 73 73 GLU N N 73 129.014 129.014 124.523 4.491 25761 1854 1 4 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.058 -0.507 25761 1855 1 4 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.590 -2.175 25761 1856 1 4 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.803 6.089 25761 1857 1 4 . 1 1 73 73 GLU H H 73 9.018 9.018 9.176 -0.158 25761 1858 1 4 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.156 -2.059 25761 1859 1 4 . 1 1 75 75 ASP N N 75 116.246 116.246 120.595 -4.349 25761 1860 1 4 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.486 -0.036 25761 1861 1 4 . 1 1 75 75 ASP CA C 75 54.550 54.550 57.469 -2.919 25761 1862 1 4 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.666 -2.925 25761 1863 1 4 . 1 1 75 75 ASP H H 75 7.493 7.493 7.846 -0.353 25761 1864 1 4 . 1 1 76 76 LEU N N 76 121.503 121.503 120.506 0.997 25761 1865 1 4 . 1 1 76 76 LEU HA H 76 3.986 3.986 3.927 0.059 25761 1866 1 4 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.357 -4.113 25761 1867 1 4 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.039 -4.800 25761 1868 1 4 . 1 1 76 76 LEU H H 76 7.651 7.651 7.948 -0.297 25761 1869 1 4 . 1 1 77 77 ASP N N 77 120.554 120.554 118.194 2.360 25761 1870 1 4 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.388 -0.097 25761 1871 1 4 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.213 -2.518 25761 1872 1 4 . 1 1 77 77 ASP CB C 77 37.194 37.194 41.051 -3.857 25761 1873 1 4 . 1 1 77 77 ASP H H 77 8.117 8.117 8.436 -0.319 25761 1874 1 4 . 1 1 78 78 ALA N N 78 121.953 121.953 121.573 0.380 25761 1875 1 4 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.039 0.104 25761 1876 1 4 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.836 -2.466 25761 1877 1 4 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.343 -2.944 25761 1878 1 4 . 1 1 78 78 ALA H H 78 7.904 7.904 7.676 0.228 25761 1879 1 4 . 1 1 79 79 TYR N N 79 119.746 119.746 120.547 -0.801 25761 1880 1 4 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.016 -0.127 25761 1881 1 4 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.128 -2.743 25761 1882 1 4 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.134 -2.323 25761 1883 1 4 . 1 1 79 79 TYR H H 79 7.422 7.422 8.042 -0.620 25761 1884 1 4 . 1 1 80 80 ALA N N 80 122.107 122.107 118.301 3.806 25761 1885 1 4 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.070 -0.300 25761 1886 1 4 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.742 -2.212 25761 1887 1 4 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.028 -2.650 25761 1888 1 4 . 1 1 80 80 ALA H H 80 8.376 8.376 8.185 0.191 25761 1889 1 4 . 1 1 81 81 GLU N N 81 118.620 118.620 119.264 -0.644 25761 1890 1 4 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.090 -0.246 25761 1891 1 4 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.595 -1.882 25761 1892 1 4 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.757 -2.878 25761 1893 1 4 . 1 1 81 81 GLU H H 81 8.149 8.149 7.634 0.515 25761 1894 1 4 . 1 1 82 82 ARG N N 82 120.032 120.032 120.944 -0.912 25761 1895 1 4 . 1 1 82 82 ARG HA H 82 3.748 3.748 3.976 -0.228 25761 1896 1 4 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.745 -1.958 25761 1897 1 4 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.079 -4.926 25761 1898 1 4 . 1 1 82 82 ARG H H 82 7.535 7.535 8.478 -0.943 25761 1899 1 4 . 1 1 83 83 ALA N N 83 122.089 122.089 117.841 4.248 25761 1900 1 4 . 1 1 83 83 ALA HA H 83 3.708 3.708 4.198 -0.490 25761 1901 1 4 . 1 1 83 83 ALA CA C 83 52.325 52.325 53.312 -0.987 25761 1902 1 4 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.616 -2.947 25761 1903 1 4 . 1 1 83 83 ALA H H 83 8.467 8.467 8.059 0.408 25761 1904 1 4 . 1 1 84 84 ALA N N 84 118.529 118.529 118.866 -0.337 25761 1905 1 4 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.714 -0.472 25761 1906 1 4 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.003 -2.014 25761 1907 1 4 . 1 1 84 84 ALA CB C 84 15.181 15.181 19.592 -4.411 25761 1908 1 4 . 1 1 84 84 ALA H H 84 7.517 7.517 7.378 0.139 25761 1909 1 4 . 1 1 85 85 ARG N N 85 117.478 117.478 118.762 -1.284 25761 1910 1 4 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.114 -0.127 25761 1911 1 4 . 1 1 85 85 ARG CA C 85 55.691 55.691 58.654 -2.963 25761 1912 1 4 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.538 -2.952 25761 1913 1 4 . 1 1 85 85 ARG H H 85 7.278 7.278 7.456 -0.178 25761 1914 1 4 . 1 1 86 86 ILE N N 86 118.079 118.079 116.929 1.150 25761 1915 1 4 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.113 -0.366 25761 1916 1 4 . 1 1 86 86 ILE CA C 86 60.531 60.531 62.123 -1.592 25761 1917 1 4 . 1 1 86 86 ILE CB C 86 36.213 36.213 38.828 -2.615 25761 1918 1 4 . 1 1 86 86 ILE H H 86 7.286 7.286 7.972 -0.686 25761 1919 1 4 . 1 1 87 87 ASP N N 87 117.833 117.833 120.742 -2.909 25761 1920 1 4 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.033 -0.053 25761 1921 1 4 . 1 1 87 87 ASP CA C 87 47.642 47.642 51.920 -4.278 25761 1922 1 4 . 1 1 87 87 ASP CB C 87 39.176 39.176 42.162 -2.986 25761 1923 1 4 . 1 1 87 87 ASP H H 87 7.973 7.973 8.112 -0.139 25761 1924 1 4 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.352 0.289 25761 1925 1 4 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.599 -4.050 25761 1926 1 4 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.156 -2.597 25761 1927 1 4 . 1 1 89 89 ASP N N 89 120.189 120.189 117.215 2.974 25761 1928 1 4 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.617 0.069 25761 1929 1 4 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.220 -0.847 25761 1930 1 4 . 1 1 89 89 ASP H H 89 7.960 7.960 8.532 -0.572 25761 1931 1 4 . 1 1 90 90 ILE N N 90 120.372 120.372 120.292 0.080 25761 1932 1 4 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.435 0.120 25761 1933 1 4 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.902 -0.880 25761 1934 1 4 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.666 -1.468 25761 1935 1 4 . 1 1 90 90 ILE H H 90 7.234 7.234 7.137 0.097 25761 1936 1 4 . 1 1 91 91 TRP N N 91 122.596 122.596 124.958 -2.362 25761 1937 1 4 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.849 0.040 25761 1938 1 4 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.443 -3.776 25761 1939 1 4 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.612 -2.982 25761 1940 1 4 . 1 1 91 91 TRP H H 91 9.295 9.295 9.119 0.176 25761 1941 1 4 . 1 1 92 92 VAL N N 92 118.958 118.958 121.819 -2.861 25761 1942 1 4 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.549 0.599 25761 1943 1 4 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.768 -2.371 25761 1944 1 4 . 1 1 92 92 VAL CB C 92 31.825 31.825 34.051 -2.227 25761 1945 1 4 . 1 1 92 92 VAL H H 92 9.040 9.040 8.581 0.459 25761 1946 1 4 . 1 1 93 93 VAL N N 93 129.129 129.129 128.307 0.822 25761 1947 1 4 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.736 0.033 25761 1948 1 4 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.231 -3.916 25761 1949 1 4 . 1 1 93 93 VAL CB C 93 32.548 32.548 34.712 -2.163 25761 1950 1 4 . 1 1 93 93 VAL H H 93 9.201 9.201 9.075 0.126 25761 1951 1 4 . 1 1 94 94 GLU N N 94 126.192 126.192 127.570 -1.378 25761 1952 1 4 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.192 0.220 25761 1953 1 4 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.679 -2.915 25761 1954 1 4 . 1 1 94 94 GLU CB C 94 29.584 29.584 32.253 -2.669 25761 1955 1 4 . 1 1 94 94 GLU H H 94 9.161 9.161 8.715 0.446 25761 1956 1 4 . 1 1 95 95 ILE N N 95 125.285 125.285 125.594 -0.309 25761 1957 1 4 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.553 0.218 25761 1958 1 4 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.888 -1.569 25761 1959 1 4 . 1 1 95 95 ILE CB C 95 38.475 38.475 38.587 -0.112 25761 1960 1 4 . 1 1 95 95 ILE H H 95 9.347 9.347 8.352 0.995 25761 1961 1 4 . 1 1 96 96 GLU N N 96 128.539 128.539 128.786 -0.247 25761 1962 1 4 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.696 0.459 25761 1963 1 4 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.895 -3.344 25761 1964 1 4 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.402 -1.341 25761 1965 1 4 . 1 1 96 96 GLU H H 96 9.390 9.390 9.072 0.318 25761 1966 1 4 . 1 1 97 97 ASP N N 97 123.516 123.516 125.102 -1.586 25761 1967 1 4 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.981 0.338 25761 1968 1 4 . 1 1 97 97 ASP CA C 97 50.769 50.769 51.800 -1.031 25761 1969 1 4 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.789 2.048 25761 1970 1 4 . 1 1 97 97 ASP H H 97 8.582 8.582 8.196 0.386 25761 1971 1 4 . 1 1 98 98 ARG N N 98 127.597 127.597 119.485 8.112 25761 1972 1 4 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.135 -0.064 25761 1973 1 4 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.291 -2.805 25761 1974 1 4 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.590 -3.021 25761 1975 1 4 . 1 1 98 98 ARG H H 98 8.914 8.914 8.428 0.486 25761 1976 1 4 . 1 1 99 99 ASP N N 99 115.196 115.196 117.518 -2.322 25761 1977 1 4 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.617 0.361 25761 1978 1 4 . 1 1 99 99 ASP CA C 99 51.008 51.008 54.313 -3.305 25761 1979 1 4 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.815 -1.033 25761 1980 1 4 . 1 1 99 99 ASP H H 99 7.379 7.379 8.679 -1.300 25761 1981 1 4 . 1 1 100 100 GLY N N 100 106.976 106.976 106.599 0.377 25761 1982 1 4 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.790 -1.157 25761 1983 1 4 . 1 1 100 100 GLY H H 100 7.481 7.481 8.166 -0.685 25761 1984 1 4 . 1 1 101 101 ARG N N 101 120.072 120.072 119.335 0.737 25761 1985 1 4 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.960 -0.518 25761 1986 1 4 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.171 -1.984 25761 1987 1 4 . 1 1 101 101 ARG CB C 101 27.859 27.859 30.071 -2.212 25761 1988 1 4 . 1 1 101 101 ARG H H 101 8.798 8.798 8.282 0.516 25761 1989 1 4 . 1 1 102 102 HIS N N 102 112.990 112.990 120.601 -7.611 25761 1990 1 4 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.597 -0.244 25761 1991 1 4 . 1 1 102 102 HIS CA C 102 51.683 51.683 56.511 -4.828 25761 1992 1 4 . 1 1 102 102 HIS CB C 102 29.524 29.524 29.858 -0.334 25761 1993 1 4 . 1 1 102 102 HIS H H 102 5.928 5.928 7.921 -1.993 25761 1994 1 4 . 1 1 103 103 PHE N N 103 106.623 106.623 113.677 -7.054 25761 1995 1 4 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.103 -0.710 25761 1996 1 4 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.564 -1.689 25761 1997 1 4 . 1 1 103 103 PHE CB C 103 33.351 33.351 37.081 -3.730 25761 1998 1 4 . 1 1 103 103 PHE H H 103 6.660 6.660 7.829 -1.169 25761 1999 1 4 . 1 1 104 104 LEU N N 104 123.743 123.743 120.092 3.651 25761 2000 1 4 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.175 0.074 25761 2001 1 4 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.247 -2.397 25761 2002 1 4 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.824 -3.567 25761 2003 1 4 . 1 1 104 104 LEU H H 104 10.737 10.737 7.617 3.120 25761 2004 1 4 . 1 1 105 105 THR N N 105 113.822 113.822 115.147 -1.325 25761 2005 1 4 . 1 1 105 105 THR HA H 105 4.313 4.313 4.178 0.135 25761 2006 1 4 . 1 1 105 105 THR CA C 105 59.658 59.658 62.901 -3.243 25761 2007 1 4 . 1 1 105 105 THR CB C 105 66.210 66.210 69.206 -2.995 25761 2008 1 4 . 1 1 105 105 THR H H 105 9.213 9.213 8.422 0.791 25761 2009 1 4 . 1 1 106 106 GLU N N 106 123.871 123.871 120.978 2.893 25761 2010 1 4 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.609 0.004 25761 2011 1 4 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.441 -6.306 25761 2012 1 4 . 1 1 106 106 GLU H H 106 7.734 7.734 7.831 -0.097 25761 2013 1 4 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.389 -0.125 25761 2014 1 4 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.172 -1.708 25761 2015 1 4 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.403 -2.600 25761 2016 1 4 . 1 1 108 108 VAL N N 108 120.628 120.628 119.647 0.981 25761 2017 1 4 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.166 -3.358 25761 2018 1 4 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.919 -1.729 25761 2019 1 4 . 1 1 108 108 VAL H H 108 8.137 8.137 8.140 -0.003 25761 2020 1 4 . 1 1 109 109 GLU N N 109 128.850 128.850 127.242 1.608 25761 2021 1 4 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.389 0.050 25761 2022 1 4 . 1 1 109 109 GLU CA C 109 53.908 53.908 57.057 -3.149 25761 2023 1 4 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.177 -2.730 25761 2024 1 4 . 1 1 109 109 GLU H H 109 9.095 9.095 8.727 0.368 25761 2025 1 5 . 1 1 2 2 MET HA H 2 4.380 4.380 4.811 -0.431 25761 2026 1 5 . 1 1 2 2 MET CA C 2 52.819 52.819 54.794 -1.975 25761 2027 1 5 . 1 1 2 2 MET CB C 2 30.830 30.830 34.999 -4.169 25761 2028 1 5 . 1 1 3 3 LEU N N 3 123.960 123.960 124.689 -0.729 25761 2029 1 5 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.734 -0.444 25761 2030 1 5 . 1 1 3 3 LEU CA C 3 52.670 52.670 55.337 -2.667 25761 2031 1 5 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.023 -2.095 25761 2032 1 5 . 1 1 3 3 LEU H H 3 8.399 8.399 8.551 -0.152 25761 2033 1 5 . 1 1 4 4 LEU N N 4 123.372 123.372 124.608 -1.236 25761 2034 1 5 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.332 0.125 25761 2035 1 5 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.654 -3.006 25761 2036 1 5 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.608 -1.606 25761 2037 1 5 . 1 1 4 4 LEU H H 4 8.134 8.134 7.887 0.247 25761 2038 1 5 . 1 1 5 5 SER N N 5 117.439 117.439 112.037 5.402 25761 2039 1 5 . 1 1 5 5 SER HA H 5 4.628 4.628 4.324 0.304 25761 2040 1 5 . 1 1 5 5 SER CA C 5 56.192 56.192 56.620 -0.428 25761 2041 1 5 . 1 1 5 5 SER CB C 5 61.291 61.291 65.513 -4.222 25761 2042 1 5 . 1 1 5 5 SER H H 5 8.075 8.075 7.239 0.836 25761 2043 1 5 . 1 1 6 6 THR N N 6 121.297 121.297 119.934 1.363 25761 2044 1 5 . 1 1 6 6 THR HA H 6 3.713 3.713 4.060 -0.347 25761 2045 1 5 . 1 1 6 6 THR CA C 6 64.981 64.981 67.555 -2.574 25761 2046 1 5 . 1 1 6 6 THR CB C 6 65.860 65.860 68.720 -2.860 25761 2047 1 5 . 1 1 6 6 THR H H 6 7.681 7.681 8.500 -0.819 25761 2048 1 5 . 1 1 7 7 ASP N N 7 119.550 119.550 120.266 -0.716 25761 2049 1 5 . 1 1 7 7 ASP HA H 7 3.742 3.742 4.000 -0.258 25761 2050 1 5 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.243 -2.246 25761 2051 1 5 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.870 -4.078 25761 2052 1 5 . 1 1 7 7 ASP H H 7 9.044 9.044 7.688 1.356 25761 2053 1 5 . 1 1 8 8 ILE N N 8 123.495 123.495 119.566 3.929 25761 2054 1 5 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.690 0.031 25761 2055 1 5 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.411 -2.436 25761 2056 1 5 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.541 -1.414 25761 2057 1 5 . 1 1 8 8 ILE H H 8 7.749 7.749 6.972 0.777 25761 2058 1 5 . 1 1 9 9 TRP N N 9 124.446 124.446 118.598 5.848 25761 2059 1 5 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.396 -0.552 25761 2060 1 5 . 1 1 9 9 TRP CA C 9 60.136 60.136 59.882 0.255 25761 2061 1 5 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.804 -1.829 25761 2062 1 5 . 1 1 9 9 TRP H H 9 8.232 8.232 7.238 0.994 25761 2063 1 5 . 1 1 10 10 VAL N N 10 121.207 121.207 120.962 0.245 25761 2064 1 5 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.601 -0.436 25761 2065 1 5 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.978 -2.743 25761 2066 1 5 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.011 -1.995 25761 2067 1 5 . 1 1 10 10 VAL H H 10 9.240 9.240 7.775 1.465 25761 2068 1 5 . 1 1 11 11 ALA N N 11 120.679 120.679 120.338 0.341 25761 2069 1 5 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.172 -0.323 25761 2070 1 5 . 1 1 11 11 ALA CA C 11 52.479 52.479 54.363 -1.884 25761 2071 1 5 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.012 -2.867 25761 2072 1 5 . 1 1 11 11 ALA H H 11 7.718 7.718 8.134 -0.416 25761 2073 1 5 . 1 1 12 12 ALA N N 12 120.217 120.217 121.900 -1.683 25761 2074 1 5 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.312 -0.407 25761 2075 1 5 . 1 1 12 12 ALA CA C 12 51.996 51.996 53.448 -1.452 25761 2076 1 5 . 1 1 12 12 ALA CB C 12 14.939 14.939 19.300 -4.361 25761 2077 1 5 . 1 1 12 12 ALA H H 12 7.642 7.642 7.593 0.049 25761 2078 1 5 . 1 1 13 13 LEU N N 13 122.821 122.821 122.324 0.497 25761 2079 1 5 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.064 -0.519 25761 2080 1 5 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.941 -2.400 25761 2081 1 5 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.915 -3.466 25761 2082 1 5 . 1 1 13 13 LEU H H 13 7.320 7.320 8.262 -0.942 25761 2083 1 5 . 1 1 14 14 ILE N N 14 117.258 117.258 118.174 -0.916 25761 2084 1 5 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.501 -0.449 25761 2085 1 5 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.960 -2.755 25761 2086 1 5 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.614 -1.837 25761 2087 1 5 . 1 1 14 14 ILE H H 14 8.105 8.105 8.507 -0.402 25761 2088 1 5 . 1 1 15 15 ARG N N 15 117.921 117.921 119.447 -1.526 25761 2089 1 5 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.937 0.023 25761 2090 1 5 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.942 -3.874 25761 2091 1 5 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.803 -2.502 25761 2092 1 5 . 1 1 15 15 ARG H H 15 7.574 7.574 8.279 -0.705 25761 2093 1 5 . 1 1 16 16 ARG N N 16 118.635 118.635 119.374 -0.739 25761 2094 1 5 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.006 -0.305 25761 2095 1 5 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.274 -1.620 25761 2096 1 5 . 1 1 16 16 ARG CB C 16 28.131 28.131 30.025 -1.894 25761 2097 1 5 . 1 1 16 16 ARG H H 16 7.832 7.832 8.524 -0.692 25761 2098 1 5 . 1 1 17 17 ALA N N 17 122.335 122.335 121.764 0.571 25761 2099 1 5 . 1 1 17 17 ALA HA H 17 3.052 3.052 1.934 1.118 25761 2100 1 5 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.194 8.166 25761 2101 1 5 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.518 -1.965 25761 2102 1 5 . 1 1 17 17 ALA H H 17 7.856 7.856 8.156 -0.300 25761 2103 1 5 . 1 1 18 18 GLU N N 18 118.223 118.223 119.880 -1.657 25761 2104 1 5 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.221 -0.230 25761 2105 1 5 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.696 -2.207 25761 2106 1 5 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.546 -2.760 25761 2107 1 5 . 1 1 18 18 GLU H H 18 8.303 8.303 8.089 0.214 25761 2108 1 5 . 1 1 19 19 LEU N N 19 122.454 122.454 120.274 2.180 25761 2109 1 5 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.029 -0.025 25761 2110 1 5 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.471 -2.614 25761 2111 1 5 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.544 -2.429 25761 2112 1 5 . 1 1 19 19 LEU H H 19 8.402 8.402 8.531 -0.129 25761 2113 1 5 . 1 1 20 20 GLY N N 20 105.446 105.446 103.630 1.816 25761 2114 1 5 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.599 -2.856 25761 2115 1 5 . 1 1 20 20 GLY H H 20 7.468 7.468 7.675 -0.207 25761 2116 1 5 . 1 1 21 21 GLY N N 21 107.714 107.714 107.916 -0.202 25761 2117 1 5 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.590 -1.963 25761 2118 1 5 . 1 1 21 21 GLY H H 21 7.754 7.754 7.609 0.145 25761 2119 1 5 . 1 1 22 22 ALA N N 22 123.725 123.725 122.640 1.085 25761 2120 1 5 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.435 0.229 25761 2121 1 5 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.882 -3.644 25761 2122 1 5 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.587 -1.304 25761 2123 1 5 . 1 1 22 22 ALA H H 22 8.012 8.012 7.636 0.376 25761 2124 1 5 . 1 1 23 23 PHE N N 23 117.564 117.564 123.288 -5.724 25761 2125 1 5 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.529 0.310 25761 2126 1 5 . 1 1 23 23 PHE CA C 23 53.762 53.762 58.090 -4.328 25761 2127 1 5 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.214 -1.558 25761 2128 1 5 . 1 1 23 23 PHE H H 23 8.128 8.128 8.052 0.076 25761 2129 1 5 . 1 1 24 24 ALA N N 24 128.638 128.638 129.175 -0.537 25761 2130 1 5 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.554 -0.102 25761 2131 1 5 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.635 -3.124 25761 2132 1 5 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.627 -1.249 25761 2133 1 5 . 1 1 24 24 ALA H H 24 8.542 8.542 7.886 0.656 25761 2134 1 5 . 1 1 25 25 THR N N 25 115.207 115.207 114.821 0.386 25761 2135 1 5 . 1 1 25 25 THR HA H 25 4.394 4.394 4.369 0.025 25761 2136 1 5 . 1 1 25 25 THR CA C 25 57.830 57.830 61.664 -3.834 25761 2137 1 5 . 1 1 25 25 THR CB C 25 69.095 69.095 70.669 -1.574 25761 2138 1 5 . 1 1 25 25 THR H H 25 9.003 9.003 8.293 0.710 25761 2139 1 5 . 1 1 26 26 VAL N N 26 125.712 125.712 124.357 1.355 25761 2140 1 5 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.578 -0.396 25761 2141 1 5 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.824 -1.338 25761 2142 1 5 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.282 -3.734 25761 2143 1 5 . 1 1 26 26 VAL H H 26 8.739 8.739 8.501 0.238 25761 2144 1 5 . 1 1 27 27 ALA N N 27 134.206 134.206 130.902 3.304 25761 2145 1 5 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.279 -0.034 25761 2146 1 5 . 1 1 27 27 ALA CA C 27 50.742 50.742 53.103 -2.361 25761 2147 1 5 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.692 -3.161 25761 2148 1 5 . 1 1 27 27 ALA H H 27 8.412 8.412 8.699 -0.287 25761 2149 1 5 . 1 1 28 28 ARG N N 28 117.751 117.751 118.891 -1.140 25761 2150 1 5 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.414 -0.206 25761 2151 1 5 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.658 -2.000 25761 2152 1 5 . 1 1 28 28 ARG CB C 28 31.000 31.000 32.599 -1.599 25761 2153 1 5 . 1 1 28 28 ARG H H 28 8.090 8.090 7.517 0.573 25761 2154 1 5 . 1 1 29 29 LYS N N 29 128.417 128.417 126.293 2.124 25761 2155 1 5 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.125 -0.016 25761 2156 1 5 . 1 1 29 29 LYS CA C 29 52.792 52.792 55.184 -2.392 25761 2157 1 5 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.900 -2.611 25761 2158 1 5 . 1 1 29 29 LYS H H 29 8.536 8.536 8.305 0.231 25761 2159 1 5 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.728 -2.870 25761 2160 1 5 . 1 1 31 31 ASP N N 31 120.477 120.477 121.286 -0.809 25761 2161 1 5 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.826 -0.322 25761 2162 1 5 . 1 1 31 31 ASP CA C 31 52.637 52.637 53.970 -1.333 25761 2163 1 5 . 1 1 31 31 ASP CB C 31 40.350 40.350 43.126 -2.776 25761 2164 1 5 . 1 1 31 31 ASP H H 31 8.445 8.445 8.183 0.262 25761 2165 1 5 . 1 1 32 32 ALA N N 32 133.865 133.865 127.790 6.075 25761 2166 1 5 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.434 -0.065 25761 2167 1 5 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.665 -1.378 25761 2168 1 5 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.305 -2.250 25761 2169 1 5 . 1 1 32 32 ALA H H 32 9.236 9.236 8.858 0.378 25761 2170 1 5 . 1 1 33 33 ARG N N 33 113.991 113.991 115.691 -1.700 25761 2171 1 5 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.346 0.068 25761 2172 1 5 . 1 1 33 33 ARG CA C 33 55.785 55.785 57.757 -1.972 25761 2173 1 5 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.984 -3.801 25761 2174 1 5 . 1 1 33 33 ARG H H 33 7.913 7.913 8.878 -0.965 25761 2175 1 5 . 1 1 34 34 ALA N N 34 120.593 120.593 120.126 0.467 25761 2176 1 5 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.551 0.123 25761 2177 1 5 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.004 -2.468 25761 2178 1 5 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.509 -1.695 25761 2179 1 5 . 1 1 34 34 ALA H H 34 8.306 8.306 8.481 -0.175 25761 2180 1 5 . 1 1 35 35 GLY N N 35 107.349 107.349 107.851 -0.502 25761 2181 1 5 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.245 0.206 25761 2182 1 5 . 1 1 35 35 GLY H H 35 7.715 7.715 7.522 0.193 25761 2183 1 5 . 1 1 36 36 ALA N N 36 127.073 127.073 128.553 -1.480 25761 2184 1 5 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.685 -0.327 25761 2185 1 5 . 1 1 36 36 ALA CA C 36 49.141 49.141 52.027 -2.886 25761 2186 1 5 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.278 -3.311 25761 2187 1 5 . 1 1 36 36 ALA H H 36 8.935 8.935 8.200 0.735 25761 2188 1 5 . 1 1 37 37 VAL N N 37 116.903 116.903 119.123 -2.220 25761 2189 1 5 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.893 -0.144 25761 2190 1 5 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.365 -1.783 25761 2191 1 5 . 1 1 37 37 VAL H H 37 7.830 7.830 8.223 -0.393 25761 2192 1 5 . 1 1 38 38 LEU N N 38 126.366 126.366 126.696 -0.330 25761 2193 1 5 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.208 0.323 25761 2194 1 5 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.465 -2.590 25761 2195 1 5 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.681 -2.711 25761 2196 1 5 . 1 1 38 38 LEU H H 38 8.926 8.926 8.794 0.132 25761 2197 1 5 . 1 1 39 39 VAL N N 39 121.843 121.843 122.750 -0.907 25761 2198 1 5 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.950 -0.071 25761 2199 1 5 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.299 -1.956 25761 2200 1 5 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.118 0.074 25761 2201 1 5 . 1 1 39 39 VAL H H 39 8.819 8.819 9.229 -0.410 25761 2202 1 5 . 1 1 40 40 LYS N N 40 129.592 129.592 128.923 0.669 25761 2203 1 5 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.734 0.545 25761 2204 1 5 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.909 -6.918 25761 2205 1 5 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.967 -3.284 25761 2206 1 5 . 1 1 40 40 LYS H H 40 9.438 9.438 8.907 0.531 25761 2207 1 5 . 1 1 41 41 ALA N N 41 131.659 131.659 128.976 2.683 25761 2208 1 5 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.506 -0.257 25761 2209 1 5 . 1 1 41 41 ALA CA C 41 51.816 51.816 49.963 1.853 25761 2210 1 5 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.962 -5.317 25761 2211 1 5 . 1 1 41 41 ALA H H 41 9.349 9.349 8.865 0.484 25761 2212 1 5 . 1 1 42 42 VAL N N 42 127.668 127.668 122.337 5.331 25761 2213 1 5 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.634 -0.365 25761 2214 1 5 . 1 1 42 42 VAL CA C 42 59.621 59.621 60.435 -0.814 25761 2215 1 5 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.488 -2.610 25761 2216 1 5 . 1 1 42 42 VAL H H 42 9.517 9.517 8.679 0.838 25761 2217 1 5 . 1 1 43 43 ASP N N 43 127.524 127.524 129.989 -2.465 25761 2218 1 5 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.942 -0.056 25761 2219 1 5 . 1 1 43 43 ASP CA C 43 49.630 49.630 54.667 -5.037 25761 2220 1 5 . 1 1 43 43 ASP CB C 43 38.527 38.527 39.647 -1.120 25761 2221 1 5 . 1 1 43 43 ASP H H 43 8.821 8.821 8.929 -0.108 25761 2222 1 5 . 1 1 44 44 ARG N N 44 123.676 123.676 124.624 -0.948 25761 2223 1 5 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.036 0.059 25761 2224 1 5 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.228 -2.557 25761 2225 1 5 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.714 -1.620 25761 2226 1 5 . 1 1 44 44 ARG H H 44 8.435 8.435 8.635 -0.200 25761 2227 1 5 . 1 1 45 45 ARG N N 45 120.486 120.486 120.086 0.400 25761 2228 1 5 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.149 -0.018 25761 2229 1 5 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.667 -2.061 25761 2230 1 5 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.068 -2.004 25761 2231 1 5 . 1 1 45 45 ARG H H 45 8.551 8.551 7.953 0.598 25761 2232 1 5 . 1 1 46 46 GLU N N 46 116.189 116.189 116.749 -0.560 25761 2233 1 5 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.340 -0.087 25761 2234 1 5 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.506 -3.068 25761 2235 1 5 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.513 -1.897 25761 2236 1 5 . 1 1 46 46 GLU H H 46 7.918 7.918 8.430 -0.512 25761 2237 1 5 . 1 1 47 47 GLY N N 47 108.218 108.218 108.196 0.022 25761 2238 1 5 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.089 -1.119 25761 2239 1 5 . 1 1 47 47 GLY H H 47 8.159 8.159 8.490 -0.331 25761 2240 1 5 . 1 1 48 48 THR N N 48 109.683 109.683 112.201 -2.518 25761 2241 1 5 . 1 1 48 48 THR HA H 48 4.639 4.639 4.136 0.503 25761 2242 1 5 . 1 1 48 48 THR CA C 48 57.215 57.215 62.150 -4.935 25761 2243 1 5 . 1 1 48 48 THR CB C 48 69.275 69.275 69.304 -0.029 25761 2244 1 5 . 1 1 48 48 THR H H 48 7.485 7.485 7.525 -0.040 25761 2245 1 5 . 1 1 49 49 ALA N N 49 122.571 122.571 125.347 -2.776 25761 2246 1 5 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.090 0.066 25761 2247 1 5 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.121 -3.110 25761 2248 1 5 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.428 -1.424 25761 2249 1 5 . 1 1 49 49 ALA H H 49 8.530 8.530 8.444 0.086 25761 2250 1 5 . 1 1 50 50 ARG N N 50 115.654 115.654 120.142 -4.488 25761 2251 1 5 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.665 -0.025 25761 2252 1 5 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.721 -2.215 25761 2253 1 5 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.796 -0.964 25761 2254 1 5 . 1 1 50 50 ARG H H 50 8.168 8.168 8.793 -0.625 25761 2255 1 5 . 1 1 51 51 LEU N N 51 122.400 122.400 121.397 1.003 25761 2256 1 5 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.337 0.937 25761 2257 1 5 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.861 -3.485 25761 2258 1 5 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.223 -1.064 25761 2259 1 5 . 1 1 51 51 LEU H H 51 8.213 8.213 8.412 -0.199 25761 2260 1 5 . 1 1 52 52 PHE N N 52 124.579 124.579 122.697 1.882 25761 2261 1 5 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.761 -0.211 25761 2262 1 5 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.348 -1.674 25761 2263 1 5 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.271 -1.652 25761 2264 1 5 . 1 1 52 52 PHE H H 52 9.546 9.546 8.991 0.555 25761 2265 1 5 . 1 1 53 53 SER N N 53 115.953 115.953 115.864 0.089 25761 2266 1 5 . 1 1 53 53 SER HA H 53 5.267 5.267 5.473 -0.206 25761 2267 1 5 . 1 1 53 53 SER CA C 53 53.513 53.513 55.853 -2.340 25761 2268 1 5 . 1 1 53 53 SER CB C 53 64.255 64.255 66.302 -2.047 25761 2269 1 5 . 1 1 53 53 SER H H 53 9.727 9.727 9.247 0.480 25761 2270 1 5 . 1 1 54 54 GLU N N 54 124.987 124.987 126.565 -1.578 25761 2271 1 5 . 1 1 54 54 GLU HA H 54 3.608 3.608 3.993 -0.385 25761 2272 1 5 . 1 1 54 54 GLU CA C 54 53.317 53.317 56.469 -3.152 25761 2273 1 5 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.212 2.465 25761 2274 1 5 . 1 1 54 54 GLU H H 54 8.431 8.431 8.087 0.344 25761 2275 1 5 . 1 1 55 55 ALA N N 55 127.789 127.789 125.032 2.757 25761 2276 1 5 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.378 -0.118 25761 2277 1 5 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.094 -3.089 25761 2278 1 5 . 1 1 55 55 ALA CB C 55 19.682 19.682 20.882 -1.200 25761 2279 1 5 . 1 1 55 55 ALA H H 55 8.430 8.430 7.291 1.139 25761 2280 1 5 . 1 1 56 56 THR N N 56 111.341 111.341 113.536 -2.195 25761 2281 1 5 . 1 1 56 56 THR HA H 56 5.038 5.038 5.277 -0.239 25761 2282 1 5 . 1 1 56 56 THR CA C 56 58.078 58.078 60.347 -2.269 25761 2283 1 5 . 1 1 56 56 THR CB C 56 68.505 68.505 71.340 -2.835 25761 2284 1 5 . 1 1 56 56 THR H H 56 7.923 7.923 8.129 -0.206 25761 2285 1 5 . 1 1 57 57 ARG N N 57 124.295 124.295 124.337 -0.042 25761 2286 1 5 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.544 0.043 25761 2287 1 5 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.851 -3.526 25761 2288 1 5 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.868 -1.201 25761 2289 1 5 . 1 1 57 57 ARG H H 57 9.054 9.054 9.040 0.014 25761 2290 1 5 . 1 1 58 58 GLY N N 58 109.220 109.220 107.956 1.264 25761 2291 1 5 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.985 -1.389 25761 2292 1 5 . 1 1 58 58 GLY H H 58 8.706 8.706 8.725 -0.019 25761 2293 1 5 . 1 1 59 59 ASP N N 59 120.555 120.555 119.842 0.713 25761 2294 1 5 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.795 -0.209 25761 2295 1 5 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.050 -2.681 25761 2296 1 5 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.864 -3.467 25761 2297 1 5 . 1 1 59 59 ASP H H 59 8.194 8.194 7.755 0.439 25761 2298 1 5 . 1 1 60 60 GLY N N 60 107.833 107.833 107.629 0.204 25761 2299 1 5 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.181 -2.268 25761 2300 1 5 . 1 1 60 60 GLY H H 60 7.999 7.999 7.650 0.349 25761 2301 1 5 . 1 1 61 61 GLU N N 61 121.205 121.205 120.287 0.918 25761 2302 1 5 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.263 -0.077 25761 2303 1 5 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.199 -2.205 25761 2304 1 5 . 1 1 61 61 GLU CB C 61 27.931 27.931 29.869 -1.938 25761 2305 1 5 . 1 1 61 61 GLU H H 61 7.910 7.910 8.349 -0.439 25761 2306 1 5 . 1 1 62 62 ARG N N 62 125.261 125.261 127.489 -2.228 25761 2307 1 5 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.665 0.147 25761 2308 1 5 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.389 -3.502 25761 2309 1 5 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.099 -2.181 25761 2310 1 5 . 1 1 62 62 ARG H H 62 8.219 8.219 8.370 -0.151 25761 2311 1 5 . 1 1 63 63 PHE N N 63 120.777 120.777 120.444 0.333 25761 2312 1 5 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.655 0.224 25761 2313 1 5 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.715 -2.915 25761 2314 1 5 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.454 -1.291 25761 2315 1 5 . 1 1 63 63 PHE H H 63 8.431 8.431 7.708 0.723 25761 2316 1 5 . 1 1 64 64 TRP N N 64 119.550 119.550 120.513 -0.963 25761 2317 1 5 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.258 -0.232 25761 2318 1 5 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.350 -2.161 25761 2319 1 5 . 1 1 64 64 TRP CB C 64 29.883 29.883 31.109 -1.226 25761 2320 1 5 . 1 1 64 64 TRP H H 64 8.914 8.914 8.583 0.331 25761 2321 1 5 . 1 1 65 65 MET N N 65 118.324 118.324 121.240 -2.916 25761 2322 1 5 . 1 1 65 65 MET HA H 65 5.156 5.156 5.195 -0.039 25761 2323 1 5 . 1 1 65 65 MET CA C 65 50.438 50.438 54.273 -3.835 25761 2324 1 5 . 1 1 65 65 MET CB C 65 32.296 32.296 35.490 -3.194 25761 2325 1 5 . 1 1 65 65 MET H H 65 9.282 9.282 8.858 0.424 25761 2326 1 5 . 1 1 66 66 GLN N N 66 119.469 119.469 119.175 0.294 25761 2327 1 5 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.057 0.457 25761 2328 1 5 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.912 -2.947 25761 2329 1 5 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.645 -0.145 25761 2330 1 5 . 1 1 66 66 GLN H H 66 8.785 8.785 8.685 0.100 25761 2331 1 5 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.394 -0.273 25761 2332 1 5 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.708 -2.842 25761 2333 1 5 . 1 1 67 67 PRO CB C 67 30.037 30.037 31.945 -1.908 25761 2334 1 5 . 1 1 68 68 VAL N N 68 119.433 119.433 121.337 -1.904 25761 2335 1 5 . 1 1 68 68 VAL HA H 68 3.959 3.959 3.923 0.036 25761 2336 1 5 . 1 1 68 68 VAL CA C 68 57.834 57.834 61.916 -4.082 25761 2337 1 5 . 1 1 68 68 VAL CB C 68 31.032 31.032 30.169 0.863 25761 2338 1 5 . 1 1 68 68 VAL H H 68 8.464 8.464 7.712 0.752 25761 2339 1 5 . 1 1 69 69 ARG N N 69 127.119 127.119 129.561 -2.442 25761 2340 1 5 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.226 0.110 25761 2341 1 5 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.377 -4.565 25761 2342 1 5 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.874 -2.951 25761 2343 1 5 . 1 1 69 69 ARG H H 69 8.519 8.519 8.398 0.121 25761 2344 1 5 . 1 1 70 70 SER N N 70 115.574 115.574 114.167 1.407 25761 2345 1 5 . 1 1 70 70 SER HA H 70 4.598 4.598 4.698 -0.100 25761 2346 1 5 . 1 1 70 70 SER CA C 70 54.127 54.127 57.157 -3.030 25761 2347 1 5 . 1 1 70 70 SER CB C 70 62.189 62.189 64.330 -2.141 25761 2348 1 5 . 1 1 70 70 SER H H 70 7.955 7.955 7.654 0.301 25761 2349 1 5 . 1 1 71 71 THR N N 71 114.592 114.592 114.899 -0.307 25761 2350 1 5 . 1 1 71 71 THR HA H 71 5.244 5.244 4.301 0.943 25761 2351 1 5 . 1 1 71 71 THR CA C 71 58.147 58.147 62.175 -4.028 25761 2352 1 5 . 1 1 71 71 THR CB C 71 66.895 66.895 68.638 -1.742 25761 2353 1 5 . 1 1 71 71 THR H H 71 8.285 8.285 8.152 0.133 25761 2354 1 5 . 1 1 72 72 PHE N N 72 125.101 125.101 122.728 2.373 25761 2355 1 5 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.358 0.583 25761 2356 1 5 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.483 -5.348 25761 2357 1 5 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.629 -2.698 25761 2358 1 5 . 1 1 72 72 PHE H H 72 8.649 8.649 7.325 1.324 25761 2359 1 5 . 1 1 73 73 GLU N N 73 129.014 129.014 125.608 3.406 25761 2360 1 5 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.001 -0.450 25761 2361 1 5 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.269 -1.854 25761 2362 1 5 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.969 5.923 25761 2363 1 5 . 1 1 73 73 GLU H H 73 9.018 9.018 9.120 -0.102 25761 2364 1 5 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.058 -1.962 25761 2365 1 5 . 1 1 75 75 ASP N N 75 116.246 116.246 118.606 -2.360 25761 2366 1 5 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.593 -0.143 25761 2367 1 5 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.138 -1.588 25761 2368 1 5 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.496 -2.755 25761 2369 1 5 . 1 1 75 75 ASP H H 75 7.493 7.493 8.002 -0.509 25761 2370 1 5 . 1 1 76 76 LEU N N 76 121.503 121.503 119.850 1.653 25761 2371 1 5 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.168 -0.182 25761 2372 1 5 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.895 -3.651 25761 2373 1 5 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.379 -5.140 25761 2374 1 5 . 1 1 76 76 LEU H H 76 7.651 7.651 7.436 0.215 25761 2375 1 5 . 1 1 77 77 ASP N N 77 120.554 120.554 118.925 1.629 25761 2376 1 5 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.341 -0.050 25761 2377 1 5 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.231 -2.536 25761 2378 1 5 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.994 -3.800 25761 2379 1 5 . 1 1 77 77 ASP H H 77 8.117 8.117 8.286 -0.169 25761 2380 1 5 . 1 1 78 78 ALA N N 78 121.953 121.953 121.569 0.384 25761 2381 1 5 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.090 0.053 25761 2382 1 5 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.574 -2.204 25761 2383 1 5 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.238 -2.839 25761 2384 1 5 . 1 1 78 78 ALA H H 78 7.904 7.904 7.593 0.311 25761 2385 1 5 . 1 1 79 79 TYR N N 79 119.746 119.746 120.221 -0.475 25761 2386 1 5 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.024 -0.135 25761 2387 1 5 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.139 -2.754 25761 2388 1 5 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.272 -2.461 25761 2389 1 5 . 1 1 79 79 TYR H H 79 7.422 7.422 8.156 -0.734 25761 2390 1 5 . 1 1 80 80 ALA N N 80 122.107 122.107 120.566 1.541 25761 2391 1 5 . 1 1 80 80 ALA HA H 80 3.770 3.770 3.941 -0.171 25761 2392 1 5 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.274 -2.744 25761 2393 1 5 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.083 -2.705 25761 2394 1 5 . 1 1 80 80 ALA H H 80 8.376 8.376 8.085 0.291 25761 2395 1 5 . 1 1 81 81 GLU N N 81 118.620 118.620 117.573 1.047 25761 2396 1 5 . 1 1 81 81 GLU HA H 81 3.844 3.844 3.988 -0.144 25761 2397 1 5 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.084 -2.371 25761 2398 1 5 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.527 -2.648 25761 2399 1 5 . 1 1 81 81 GLU H H 81 8.149 8.149 7.582 0.567 25761 2400 1 5 . 1 1 82 82 ARG N N 82 120.032 120.032 118.231 1.801 25761 2401 1 5 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.144 -0.396 25761 2402 1 5 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.225 -1.438 25761 2403 1 5 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.744 -5.591 25761 2404 1 5 . 1 1 82 82 ARG H H 82 7.535 7.535 7.577 -0.042 25761 2405 1 5 . 1 1 83 83 ALA N N 83 122.089 122.089 121.339 0.750 25761 2406 1 5 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.895 -0.187 25761 2407 1 5 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.844 -2.519 25761 2408 1 5 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.499 -2.830 25761 2409 1 5 . 1 1 83 83 ALA H H 83 8.467 8.467 8.298 0.169 25761 2410 1 5 . 1 1 84 84 ALA N N 84 118.529 118.529 118.239 0.290 25761 2411 1 5 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.383 -0.141 25761 2412 1 5 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.612 -2.623 25761 2413 1 5 . 1 1 84 84 ALA CB C 84 15.181 15.181 17.840 -2.659 25761 2414 1 5 . 1 1 84 84 ALA H H 84 7.517 7.517 8.106 -0.589 25761 2415 1 5 . 1 1 85 85 ARG N N 85 117.478 117.478 117.544 -0.066 25761 2416 1 5 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.488 -0.501 25761 2417 1 5 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.682 -1.991 25761 2418 1 5 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.032 -3.446 25761 2419 1 5 . 1 1 85 85 ARG H H 85 7.278 7.278 8.035 -0.757 25761 2420 1 5 . 1 1 86 86 ILE N N 86 118.079 118.079 119.614 -1.535 25761 2421 1 5 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.165 -0.418 25761 2422 1 5 . 1 1 86 86 ILE CA C 86 60.531 60.531 62.069 -1.538 25761 2423 1 5 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.634 -3.421 25761 2424 1 5 . 1 1 86 86 ILE H H 86 7.286 7.286 7.590 -0.304 25761 2425 1 5 . 1 1 87 87 ASP N N 87 117.833 117.833 121.438 -3.605 25761 2426 1 5 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.768 0.212 25761 2427 1 5 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.735 -6.093 25761 2428 1 5 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.608 -2.432 25761 2429 1 5 . 1 1 87 87 ASP H H 87 7.973 7.973 7.638 0.335 25761 2430 1 5 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.398 0.243 25761 2431 1 5 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.167 -3.618 25761 2432 1 5 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.408 -2.849 25761 2433 1 5 . 1 1 89 89 ASP N N 89 120.189 120.189 118.436 1.753 25761 2434 1 5 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.855 -0.169 25761 2435 1 5 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.718 -2.345 25761 2436 1 5 . 1 1 89 89 ASP H H 89 7.960 7.960 8.584 -0.624 25761 2437 1 5 . 1 1 90 90 ILE N N 90 120.372 120.372 121.159 -0.787 25761 2438 1 5 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.549 0.006 25761 2439 1 5 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.190 -0.168 25761 2440 1 5 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.952 -1.754 25761 2441 1 5 . 1 1 90 90 ILE H H 90 7.234 7.234 8.191 -0.957 25761 2442 1 5 . 1 1 91 91 TRP N N 91 122.596 122.596 125.253 -2.657 25761 2443 1 5 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.079 -0.190 25761 2444 1 5 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.133 -3.466 25761 2445 1 5 . 1 1 91 91 TRP CB C 91 28.630 28.630 32.015 -3.385 25761 2446 1 5 . 1 1 91 91 TRP H H 91 9.295 9.295 8.871 0.424 25761 2447 1 5 . 1 1 92 92 VAL N N 92 118.958 118.958 120.648 -1.690 25761 2448 1 5 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.959 0.189 25761 2449 1 5 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.587 -2.189 25761 2450 1 5 . 1 1 92 92 VAL CB C 92 31.825 31.825 34.024 -2.199 25761 2451 1 5 . 1 1 92 92 VAL H H 92 9.040 9.040 8.416 0.624 25761 2452 1 5 . 1 1 93 93 VAL N N 93 129.129 129.129 128.296 0.833 25761 2453 1 5 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.907 -0.138 25761 2454 1 5 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.790 -3.475 25761 2455 1 5 . 1 1 93 93 VAL CB C 93 32.548 32.548 35.271 -2.723 25761 2456 1 5 . 1 1 93 93 VAL H H 93 9.201 9.201 9.263 -0.062 25761 2457 1 5 . 1 1 94 94 GLU N N 94 126.192 126.192 126.952 -0.760 25761 2458 1 5 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.331 0.081 25761 2459 1 5 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.697 -2.933 25761 2460 1 5 . 1 1 94 94 GLU CB C 94 29.584 29.584 32.709 -3.124 25761 2461 1 5 . 1 1 94 94 GLU H H 94 9.161 9.161 8.680 0.481 25761 2462 1 5 . 1 1 95 95 ILE N N 95 125.285 125.285 125.665 -0.380 25761 2463 1 5 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.537 0.234 25761 2464 1 5 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.804 -1.485 25761 2465 1 5 . 1 1 95 95 ILE CB C 95 38.475 38.475 38.583 -0.108 25761 2466 1 5 . 1 1 95 95 ILE H H 95 9.347 9.347 8.949 0.398 25761 2467 1 5 . 1 1 96 96 GLU N N 96 128.539 128.539 128.508 0.031 25761 2468 1 5 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.842 0.313 25761 2469 1 5 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.786 -3.235 25761 2470 1 5 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.475 -1.414 25761 2471 1 5 . 1 1 96 96 GLU H H 96 9.390 9.390 8.870 0.520 25761 2472 1 5 . 1 1 97 97 ASP N N 97 123.516 123.516 124.319 -0.803 25761 2473 1 5 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.042 0.277 25761 2474 1 5 . 1 1 97 97 ASP CA C 97 50.769 50.769 51.756 -0.987 25761 2475 1 5 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.905 1.932 25761 2476 1 5 . 1 1 97 97 ASP H H 97 8.582 8.582 8.275 0.307 25761 2477 1 5 . 1 1 98 98 ARG N N 98 127.597 127.597 123.600 3.997 25761 2478 1 5 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.142 -0.071 25761 2479 1 5 . 1 1 98 98 ARG CA C 98 56.486 56.486 58.939 -2.453 25761 2480 1 5 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.112 -2.542 25761 2481 1 5 . 1 1 98 98 ARG H H 98 8.914 8.914 8.811 0.103 25761 2482 1 5 . 1 1 99 99 ASP N N 99 115.196 115.196 117.234 -2.038 25761 2483 1 5 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.594 0.384 25761 2484 1 5 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.694 -2.686 25761 2485 1 5 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.595 -0.813 25761 2486 1 5 . 1 1 99 99 ASP H H 99 7.379 7.379 7.965 -0.586 25761 2487 1 5 . 1 1 100 100 GLY N N 100 106.976 106.976 107.613 -0.637 25761 2488 1 5 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.713 -1.080 25761 2489 1 5 . 1 1 100 100 GLY H H 100 7.481 7.481 7.488 -0.007 25761 2490 1 5 . 1 1 101 101 ARG N N 101 120.072 120.072 118.807 1.265 25761 2491 1 5 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.832 -0.390 25761 2492 1 5 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.342 -2.155 25761 2493 1 5 . 1 1 101 101 ARG CB C 101 27.859 27.859 30.509 -2.650 25761 2494 1 5 . 1 1 101 101 ARG H H 101 8.798 8.798 7.979 0.819 25761 2495 1 5 . 1 1 102 102 HIS N N 102 112.990 112.990 119.778 -6.788 25761 2496 1 5 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.567 -0.214 25761 2497 1 5 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.909 -4.226 25761 2498 1 5 . 1 1 102 102 HIS CB C 102 29.524 29.524 29.502 0.022 25761 2499 1 5 . 1 1 102 102 HIS H H 102 5.928 5.928 7.927 -1.999 25761 2500 1 5 . 1 1 103 103 PHE N N 103 106.623 106.623 114.968 -8.345 25761 2501 1 5 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.033 -0.640 25761 2502 1 5 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.650 -1.775 25761 2503 1 5 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.825 -3.474 25761 2504 1 5 . 1 1 103 103 PHE H H 103 6.660 6.660 7.793 -1.133 25761 2505 1 5 . 1 1 104 104 LEU N N 104 123.743 123.743 119.401 4.342 25761 2506 1 5 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.191 0.057 25761 2507 1 5 . 1 1 104 104 LEU CA C 104 52.850 52.850 56.198 -3.348 25761 2508 1 5 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.889 -3.631 25761 2509 1 5 . 1 1 104 104 LEU H H 104 10.737 10.737 7.404 3.333 25761 2510 1 5 . 1 1 105 105 THR N N 105 113.822 113.822 109.513 4.309 25761 2511 1 5 . 1 1 105 105 THR HA H 105 4.313 4.313 4.464 -0.151 25761 2512 1 5 . 1 1 105 105 THR CA C 105 59.658 59.658 61.760 -2.102 25761 2513 1 5 . 1 1 105 105 THR CB C 105 66.210 66.210 68.970 -2.760 25761 2514 1 5 . 1 1 105 105 THR H H 105 9.213 9.213 8.432 0.781 25761 2515 1 5 . 1 1 106 106 GLU N N 106 123.871 123.871 121.507 2.364 25761 2516 1 5 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.788 -0.175 25761 2517 1 5 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.049 -6.914 25761 2518 1 5 . 1 1 106 106 GLU H H 106 7.734 7.734 7.909 -0.175 25761 2519 1 5 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.353 -0.089 25761 2520 1 5 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.314 -1.850 25761 2521 1 5 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.249 -2.446 25761 2522 1 5 . 1 1 108 108 VAL N N 108 120.628 120.628 119.072 1.556 25761 2523 1 5 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.969 -3.161 25761 2524 1 5 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.231 -2.041 25761 2525 1 5 . 1 1 108 108 VAL H H 108 8.137 8.137 8.198 -0.061 25761 2526 1 5 . 1 1 109 109 GLU N N 109 128.850 128.850 127.803 1.047 25761 2527 1 5 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.619 -0.180 25761 2528 1 5 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.871 -1.963 25761 2529 1 5 . 1 1 109 109 GLU CB C 109 28.447 28.447 30.812 -2.365 25761 2530 1 5 . 1 1 109 109 GLU H H 109 9.095 9.095 8.632 0.463 25761 2531 1 6 . 1 1 2 2 MET HA H 2 4.380 4.380 4.607 -0.227 25761 2532 1 6 . 1 1 2 2 MET CA C 2 52.819 52.819 55.117 -2.298 25761 2533 1 6 . 1 1 2 2 MET CB C 2 30.830 30.830 33.226 -2.396 25761 2534 1 6 . 1 1 3 3 LEU N N 3 123.960 123.960 123.991 -0.031 25761 2535 1 6 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.671 -0.381 25761 2536 1 6 . 1 1 3 3 LEU CA C 3 52.670 52.670 55.006 -2.336 25761 2537 1 6 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.264 -2.336 25761 2538 1 6 . 1 1 3 3 LEU H H 3 8.399 8.399 8.373 0.026 25761 2539 1 6 . 1 1 4 4 LEU N N 4 123.372 123.372 125.120 -1.748 25761 2540 1 6 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.487 -0.030 25761 2541 1 6 . 1 1 4 4 LEU CA C 4 51.647 51.647 53.657 -2.010 25761 2542 1 6 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.895 -1.893 25761 2543 1 6 . 1 1 4 4 LEU H H 4 8.134 8.134 8.167 -0.033 25761 2544 1 6 . 1 1 5 5 SER N N 5 117.439 117.439 112.700 4.739 25761 2545 1 6 . 1 1 5 5 SER HA H 5 4.628 4.628 4.343 0.285 25761 2546 1 6 . 1 1 5 5 SER CA C 5 56.192 56.192 56.539 -0.347 25761 2547 1 6 . 1 1 5 5 SER CB C 5 61.291 61.291 65.783 -4.492 25761 2548 1 6 . 1 1 5 5 SER H H 5 8.075 8.075 7.452 0.623 25761 2549 1 6 . 1 1 6 6 THR N N 6 121.297 121.297 119.600 1.697 25761 2550 1 6 . 1 1 6 6 THR HA H 6 3.713 3.713 4.141 -0.428 25761 2551 1 6 . 1 1 6 6 THR CA C 6 64.981 64.981 66.648 -1.667 25761 2552 1 6 . 1 1 6 6 THR CB C 6 65.860 65.860 68.383 -2.523 25761 2553 1 6 . 1 1 6 6 THR H H 6 7.681 7.681 8.297 -0.616 25761 2554 1 6 . 1 1 7 7 ASP N N 7 119.550 119.550 120.334 -0.784 25761 2555 1 6 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.833 -0.091 25761 2556 1 6 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.152 -2.155 25761 2557 1 6 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.777 -3.985 25761 2558 1 6 . 1 1 7 7 ASP H H 7 9.044 9.044 7.826 1.218 25761 2559 1 6 . 1 1 8 8 ILE N N 8 123.495 123.495 119.694 3.801 25761 2560 1 6 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.672 0.049 25761 2561 1 6 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.720 -2.745 25761 2562 1 6 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.691 -1.564 25761 2563 1 6 . 1 1 8 8 ILE H H 8 7.749 7.749 6.968 0.781 25761 2564 1 6 . 1 1 9 9 TRP N N 9 124.446 124.446 118.855 5.591 25761 2565 1 6 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.349 -0.505 25761 2566 1 6 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.437 -0.301 25761 2567 1 6 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.493 -1.518 25761 2568 1 6 . 1 1 9 9 TRP H H 9 8.232 8.232 7.448 0.784 25761 2569 1 6 . 1 1 10 10 VAL N N 10 121.207 121.207 120.399 0.808 25761 2570 1 6 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.627 -0.462 25761 2571 1 6 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.803 -2.568 25761 2572 1 6 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.853 -1.837 25761 2573 1 6 . 1 1 10 10 VAL H H 10 9.240 9.240 8.101 1.139 25761 2574 1 6 . 1 1 11 11 ALA N N 11 120.679 120.679 120.935 -0.256 25761 2575 1 6 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.993 -0.144 25761 2576 1 6 . 1 1 11 11 ALA CA C 11 52.479 52.479 54.838 -2.359 25761 2577 1 6 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.187 -3.042 25761 2578 1 6 . 1 1 11 11 ALA H H 11 7.718 7.718 8.275 -0.557 25761 2579 1 6 . 1 1 12 12 ALA N N 12 120.217 120.217 121.600 -1.383 25761 2580 1 6 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.276 -0.371 25761 2581 1 6 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.361 -2.365 25761 2582 1 6 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.772 -3.833 25761 2583 1 6 . 1 1 12 12 ALA H H 12 7.642 7.642 7.404 0.238 25761 2584 1 6 . 1 1 13 13 LEU N N 13 122.821 122.821 120.635 2.186 25761 2585 1 6 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.120 -0.575 25761 2586 1 6 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.888 -2.347 25761 2587 1 6 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.572 -3.123 25761 2588 1 6 . 1 1 13 13 LEU H H 13 7.320 7.320 8.235 -0.915 25761 2589 1 6 . 1 1 14 14 ILE N N 14 117.258 117.258 119.062 -1.804 25761 2590 1 6 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.554 -0.502 25761 2591 1 6 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.135 -1.931 25761 2592 1 6 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.448 -1.671 25761 2593 1 6 . 1 1 14 14 ILE H H 14 8.105 8.105 8.391 -0.286 25761 2594 1 6 . 1 1 15 15 ARG N N 15 117.921 117.921 120.295 -2.374 25761 2595 1 6 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.823 0.137 25761 2596 1 6 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.984 -3.916 25761 2597 1 6 . 1 1 15 15 ARG CB C 15 27.302 27.302 30.058 -2.756 25761 2598 1 6 . 1 1 15 15 ARG H H 15 7.574 7.574 7.677 -0.103 25761 2599 1 6 . 1 1 16 16 ARG N N 16 118.635 118.635 118.646 -0.011 25761 2600 1 6 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.033 -0.332 25761 2601 1 6 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.962 -1.308 25761 2602 1 6 . 1 1 16 16 ARG CB C 16 28.131 28.131 30.081 -1.950 25761 2603 1 6 . 1 1 16 16 ARG H H 16 7.832 7.832 8.287 -0.455 25761 2604 1 6 . 1 1 17 17 ALA N N 17 122.335 122.335 121.609 0.726 25761 2605 1 6 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.853 0.199 25761 2606 1 6 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.380 7.980 25761 2607 1 6 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.739 -2.186 25761 2608 1 6 . 1 1 17 17 ALA H H 17 7.856 7.856 8.050 -0.194 25761 2609 1 6 . 1 1 18 18 GLU N N 18 118.223 118.223 119.725 -1.502 25761 2610 1 6 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.253 -0.262 25761 2611 1 6 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.602 -2.113 25761 2612 1 6 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.602 -2.816 25761 2613 1 6 . 1 1 18 18 GLU H H 18 8.303 8.303 7.875 0.428 25761 2614 1 6 . 1 1 19 19 LEU N N 19 122.454 122.454 120.622 1.832 25761 2615 1 6 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.166 -0.162 25761 2616 1 6 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.231 -2.374 25761 2617 1 6 . 1 1 19 19 LEU CB C 19 39.115 39.115 42.133 -3.018 25761 2618 1 6 . 1 1 19 19 LEU H H 19 8.402 8.402 8.112 0.290 25761 2619 1 6 . 1 1 20 20 GLY N N 20 105.446 105.446 104.195 1.251 25761 2620 1 6 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.666 -1.923 25761 2621 1 6 . 1 1 20 20 GLY H H 20 7.468 7.468 7.443 0.025 25761 2622 1 6 . 1 1 21 21 GLY N N 21 107.714 107.714 108.680 -0.966 25761 2623 1 6 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.953 -2.326 25761 2624 1 6 . 1 1 21 21 GLY H H 21 7.754 7.754 7.542 0.212 25761 2625 1 6 . 1 1 22 22 ALA N N 22 123.725 123.725 120.440 3.285 25761 2626 1 6 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.682 -0.018 25761 2627 1 6 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.464 -2.226 25761 2628 1 6 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.564 -2.281 25761 2629 1 6 . 1 1 22 22 ALA H H 22 8.012 8.012 7.445 0.567 25761 2630 1 6 . 1 1 23 23 PHE N N 23 117.564 117.564 119.254 -1.690 25761 2631 1 6 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.689 0.150 25761 2632 1 6 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.698 -3.936 25761 2633 1 6 . 1 1 23 23 PHE CB C 23 38.656 38.656 42.136 -3.480 25761 2634 1 6 . 1 1 23 23 PHE H H 23 8.128 8.128 8.470 -0.342 25761 2635 1 6 . 1 1 24 24 ALA N N 24 128.638 128.638 126.642 1.996 25761 2636 1 6 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.180 0.272 25761 2637 1 6 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.191 -3.680 25761 2638 1 6 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.296 -0.918 25761 2639 1 6 . 1 1 24 24 ALA H H 24 8.542 8.542 7.697 0.845 25761 2640 1 6 . 1 1 25 25 THR N N 25 115.207 115.207 111.941 3.266 25761 2641 1 6 . 1 1 25 25 THR HA H 25 4.394 4.394 4.341 0.053 25761 2642 1 6 . 1 1 25 25 THR CA C 25 57.830 57.830 61.927 -4.097 25761 2643 1 6 . 1 1 25 25 THR CB C 25 69.095 69.095 70.488 -1.393 25761 2644 1 6 . 1 1 25 25 THR H H 25 9.003 9.003 8.476 0.527 25761 2645 1 6 . 1 1 26 26 VAL N N 26 125.712 125.712 123.402 2.310 25761 2646 1 6 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.839 -0.657 25761 2647 1 6 . 1 1 26 26 VAL CA C 26 60.486 60.486 60.190 0.296 25761 2648 1 6 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.158 -3.610 25761 2649 1 6 . 1 1 26 26 VAL H H 26 8.739 8.739 8.472 0.267 25761 2650 1 6 . 1 1 27 27 ALA N N 27 134.206 134.206 129.514 4.692 25761 2651 1 6 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.225 0.020 25761 2652 1 6 . 1 1 27 27 ALA CA C 27 50.742 50.742 53.517 -2.775 25761 2653 1 6 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.239 -2.708 25761 2654 1 6 . 1 1 27 27 ALA H H 27 8.412 8.412 8.551 -0.139 25761 2655 1 6 . 1 1 28 28 ARG N N 28 117.751 117.751 118.537 -0.786 25761 2656 1 6 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.440 -0.232 25761 2657 1 6 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.953 -2.295 25761 2658 1 6 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.394 -2.394 25761 2659 1 6 . 1 1 28 28 ARG H H 28 8.090 8.090 7.494 0.596 25761 2660 1 6 . 1 1 29 29 LYS N N 29 128.417 128.417 126.023 2.394 25761 2661 1 6 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.148 -0.039 25761 2662 1 6 . 1 1 29 29 LYS CA C 29 52.792 52.792 53.867 -1.075 25761 2663 1 6 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.390 -3.101 25761 2664 1 6 . 1 1 29 29 LYS H H 29 8.536 8.536 8.384 0.152 25761 2665 1 6 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.532 -2.674 25761 2666 1 6 . 1 1 31 31 ASP N N 31 120.477 120.477 120.074 0.403 25761 2667 1 6 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.544 -0.040 25761 2668 1 6 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.741 -2.104 25761 2669 1 6 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.372 -2.022 25761 2670 1 6 . 1 1 31 31 ASP H H 31 8.445 8.445 8.197 0.248 25761 2671 1 6 . 1 1 32 32 ALA N N 32 133.865 133.865 130.551 3.314 25761 2672 1 6 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.438 -0.069 25761 2673 1 6 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.036 -1.749 25761 2674 1 6 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.243 -2.188 25761 2675 1 6 . 1 1 32 32 ALA H H 32 9.236 9.236 8.916 0.320 25761 2676 1 6 . 1 1 33 33 ARG N N 33 113.991 113.991 118.492 -4.501 25761 2677 1 6 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.158 0.256 25761 2678 1 6 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.801 -3.016 25761 2679 1 6 . 1 1 33 33 ARG CB C 33 28.183 28.183 30.623 -2.440 25761 2680 1 6 . 1 1 33 33 ARG H H 33 7.913 7.913 8.771 -0.858 25761 2681 1 6 . 1 1 34 34 ALA N N 34 120.593 120.593 118.262 2.331 25761 2682 1 6 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.706 -0.032 25761 2683 1 6 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.965 -2.429 25761 2684 1 6 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.122 -2.308 25761 2685 1 6 . 1 1 34 34 ALA H H 34 8.306 8.306 8.526 -0.220 25761 2686 1 6 . 1 1 35 35 GLY N N 35 107.349 107.349 109.259 -1.910 25761 2687 1 6 . 1 1 35 35 GLY CA C 35 44.450 44.450 45.383 -0.933 25761 2688 1 6 . 1 1 35 35 GLY H H 35 7.715 7.715 7.728 -0.013 25761 2689 1 6 . 1 1 36 36 ALA N N 36 127.073 127.073 127.817 -0.744 25761 2690 1 6 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.853 -0.495 25761 2691 1 6 . 1 1 36 36 ALA CA C 36 49.141 49.141 52.412 -3.271 25761 2692 1 6 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.278 -3.311 25761 2693 1 6 . 1 1 36 36 ALA H H 36 8.935 8.935 8.045 0.890 25761 2694 1 6 . 1 1 37 37 VAL N N 37 116.903 116.903 118.950 -2.047 25761 2695 1 6 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.150 -0.401 25761 2696 1 6 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.885 -2.303 25761 2697 1 6 . 1 1 37 37 VAL H H 37 7.830 7.830 8.281 -0.451 25761 2698 1 6 . 1 1 38 38 LEU N N 38 126.366 126.366 128.268 -1.902 25761 2699 1 6 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.148 0.383 25761 2700 1 6 . 1 1 38 38 LEU CA C 38 50.875 50.875 52.974 -2.099 25761 2701 1 6 . 1 1 38 38 LEU CB C 38 41.970 41.970 42.783 -0.813 25761 2702 1 6 . 1 1 38 38 LEU H H 38 8.926 8.926 8.927 -0.001 25761 2703 1 6 . 1 1 39 39 VAL N N 39 121.843 121.843 123.056 -1.213 25761 2704 1 6 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.667 0.212 25761 2705 1 6 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.538 -2.195 25761 2706 1 6 . 1 1 39 39 VAL CB C 39 32.192 32.192 31.377 0.815 25761 2707 1 6 . 1 1 39 39 VAL H H 39 8.819 8.819 8.969 -0.150 25761 2708 1 6 . 1 1 40 40 LYS N N 40 129.592 129.592 128.694 0.898 25761 2709 1 6 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.371 0.908 25761 2710 1 6 . 1 1 40 40 LYS CA C 40 47.991 47.991 55.275 -7.284 25761 2711 1 6 . 1 1 40 40 LYS CB C 40 31.682 31.682 33.793 -2.111 25761 2712 1 6 . 1 1 40 40 LYS H H 40 9.438 9.438 8.050 1.388 25761 2713 1 6 . 1 1 41 41 ALA N N 41 131.659 131.659 130.275 1.384 25761 2714 1 6 . 1 1 41 41 ALA HA H 41 5.249 5.249 4.908 0.341 25761 2715 1 6 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.309 1.507 25761 2716 1 6 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.255 -3.610 25761 2717 1 6 . 1 1 41 41 ALA H H 41 9.349 9.349 8.071 1.278 25761 2718 1 6 . 1 1 42 42 VAL N N 42 127.668 127.668 122.964 4.704 25761 2719 1 6 . 1 1 42 42 VAL HA H 42 4.269 4.269 3.954 0.315 25761 2720 1 6 . 1 1 42 42 VAL CA C 42 59.621 59.621 63.226 -3.605 25761 2721 1 6 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.751 -1.873 25761 2722 1 6 . 1 1 42 42 VAL H H 42 9.517 9.517 7.973 1.544 25761 2723 1 6 . 1 1 43 43 ASP N N 43 127.524 127.524 124.166 3.358 25761 2724 1 6 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.115 -0.229 25761 2725 1 6 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.837 -3.207 25761 2726 1 6 . 1 1 43 43 ASP CB C 43 38.527 38.527 42.897 -4.370 25761 2727 1 6 . 1 1 43 43 ASP H H 43 8.821 8.821 8.231 0.590 25761 2728 1 6 . 1 1 44 44 ARG N N 44 123.676 123.676 122.262 1.414 25761 2729 1 6 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.648 -0.553 25761 2730 1 6 . 1 1 44 44 ARG CA C 44 54.671 54.671 54.438 0.233 25761 2731 1 6 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.287 -2.193 25761 2732 1 6 . 1 1 44 44 ARG H H 44 8.435 8.435 8.590 -0.155 25761 2733 1 6 . 1 1 45 45 ARG N N 45 120.486 120.486 119.076 1.410 25761 2734 1 6 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.470 -0.339 25761 2735 1 6 . 1 1 45 45 ARG CA C 45 56.607 56.607 57.820 -1.213 25761 2736 1 6 . 1 1 45 45 ARG CB C 45 28.064 28.064 31.569 -3.505 25761 2737 1 6 . 1 1 45 45 ARG H H 45 8.551 8.551 8.893 -0.342 25761 2738 1 6 . 1 1 46 46 GLU N N 46 116.189 116.189 117.849 -1.660 25761 2739 1 6 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.374 -0.121 25761 2740 1 6 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.768 -3.330 25761 2741 1 6 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.626 -2.010 25761 2742 1 6 . 1 1 46 46 GLU H H 46 7.918 7.918 8.695 -0.777 25761 2743 1 6 . 1 1 47 47 GLY N N 47 108.218 108.218 108.359 -0.141 25761 2744 1 6 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.010 -1.040 25761 2745 1 6 . 1 1 47 47 GLY H H 47 8.159 8.159 8.661 -0.502 25761 2746 1 6 . 1 1 48 48 THR N N 48 109.683 109.683 113.176 -3.493 25761 2747 1 6 . 1 1 48 48 THR HA H 48 4.639 4.639 4.452 0.187 25761 2748 1 6 . 1 1 48 48 THR CA C 48 57.215 57.215 60.437 -3.222 25761 2749 1 6 . 1 1 48 48 THR CB C 48 69.275 69.275 70.034 -0.759 25761 2750 1 6 . 1 1 48 48 THR H H 48 7.485 7.485 7.412 0.073 25761 2751 1 6 . 1 1 49 49 ALA N N 49 122.571 122.571 121.965 0.606 25761 2752 1 6 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.660 0.496 25761 2753 1 6 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.616 -3.605 25761 2754 1 6 . 1 1 49 49 ALA CB C 49 21.004 21.004 21.886 -0.882 25761 2755 1 6 . 1 1 49 49 ALA H H 49 8.530 8.530 8.314 0.216 25761 2756 1 6 . 1 1 50 50 ARG N N 50 115.654 115.654 119.686 -4.032 25761 2757 1 6 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.639 0.001 25761 2758 1 6 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.647 -3.141 25761 2759 1 6 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.163 -0.331 25761 2760 1 6 . 1 1 50 50 ARG H H 50 8.168 8.168 8.440 -0.272 25761 2761 1 6 . 1 1 51 51 LEU N N 51 122.400 122.400 119.708 2.692 25761 2762 1 6 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.265 1.009 25761 2763 1 6 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.976 -3.600 25761 2764 1 6 . 1 1 51 51 LEU CB C 51 44.159 44.159 46.240 -2.081 25761 2765 1 6 . 1 1 51 51 LEU H H 51 8.213 8.213 8.181 0.032 25761 2766 1 6 . 1 1 52 52 PHE N N 52 124.579 124.579 119.111 5.468 25761 2767 1 6 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.438 0.112 25761 2768 1 6 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.067 -2.393 25761 2769 1 6 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.072 -2.453 25761 2770 1 6 . 1 1 52 52 PHE H H 52 9.546 9.546 8.210 1.336 25761 2771 1 6 . 1 1 53 53 SER N N 53 115.953 115.953 115.637 0.316 25761 2772 1 6 . 1 1 53 53 SER HA H 53 5.267 5.267 5.724 -0.457 25761 2773 1 6 . 1 1 53 53 SER CA C 53 53.513 53.513 56.485 -2.972 25761 2774 1 6 . 1 1 53 53 SER CB C 53 64.255 64.255 66.668 -2.413 25761 2775 1 6 . 1 1 53 53 SER H H 53 9.727 9.727 8.581 1.146 25761 2776 1 6 . 1 1 54 54 GLU N N 54 124.987 124.987 123.092 1.895 25761 2777 1 6 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.159 -0.551 25761 2778 1 6 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.939 -2.622 25761 2779 1 6 . 1 1 54 54 GLU CB C 54 32.677 32.677 29.888 2.789 25761 2780 1 6 . 1 1 54 54 GLU H H 54 8.431 8.431 8.115 0.316 25761 2781 1 6 . 1 1 55 55 ALA N N 55 127.789 127.789 124.515 3.274 25761 2782 1 6 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.380 -0.120 25761 2783 1 6 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.062 -3.057 25761 2784 1 6 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.166 -1.484 25761 2785 1 6 . 1 1 55 55 ALA H H 55 8.430 8.430 8.002 0.428 25761 2786 1 6 . 1 1 56 56 THR N N 56 111.341 111.341 114.656 -3.315 25761 2787 1 6 . 1 1 56 56 THR HA H 56 5.038 5.038 5.224 -0.186 25761 2788 1 6 . 1 1 56 56 THR CA C 56 58.078 58.078 60.837 -2.759 25761 2789 1 6 . 1 1 56 56 THR CB C 56 68.505 68.505 71.106 -2.601 25761 2790 1 6 . 1 1 56 56 THR H H 56 7.923 7.923 8.137 -0.214 25761 2791 1 6 . 1 1 57 57 ARG N N 57 124.295 124.295 124.496 -0.201 25761 2792 1 6 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.626 -0.039 25761 2793 1 6 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.344 -3.019 25761 2794 1 6 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.998 -1.331 25761 2795 1 6 . 1 1 57 57 ARG H H 57 9.054 9.054 8.916 0.138 25761 2796 1 6 . 1 1 58 58 GLY N N 58 109.220 109.220 106.857 2.363 25761 2797 1 6 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.968 -1.372 25761 2798 1 6 . 1 1 58 58 GLY H H 58 8.706 8.706 8.792 -0.086 25761 2799 1 6 . 1 1 59 59 ASP N N 59 120.555 120.555 119.814 0.741 25761 2800 1 6 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.734 -0.148 25761 2801 1 6 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.534 -3.165 25761 2802 1 6 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.369 -3.972 25761 2803 1 6 . 1 1 59 59 ASP H H 59 8.194 8.194 7.569 0.625 25761 2804 1 6 . 1 1 60 60 GLY N N 60 107.833 107.833 109.383 -1.550 25761 2805 1 6 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.294 -2.381 25761 2806 1 6 . 1 1 60 60 GLY H H 60 7.999 7.999 8.057 -0.058 25761 2807 1 6 . 1 1 61 61 GLU N N 61 121.205 121.205 120.013 1.192 25761 2808 1 6 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.283 -0.097 25761 2809 1 6 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.565 -1.571 25761 2810 1 6 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.212 -2.280 25761 2811 1 6 . 1 1 61 61 GLU H H 61 7.910 7.910 8.241 -0.331 25761 2812 1 6 . 1 1 62 62 ARG N N 62 125.261 125.261 127.299 -2.038 25761 2813 1 6 . 1 1 62 62 ARG HA H 62 4.812 4.812 5.133 -0.321 25761 2814 1 6 . 1 1 62 62 ARG CA C 62 52.887 52.887 55.986 -3.099 25761 2815 1 6 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.486 -2.568 25761 2816 1 6 . 1 1 62 62 ARG H H 62 8.219 8.219 8.521 -0.302 25761 2817 1 6 . 1 1 63 63 PHE N N 63 120.777 120.777 119.933 0.844 25761 2818 1 6 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.605 0.274 25761 2819 1 6 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.191 -2.391 25761 2820 1 6 . 1 1 63 63 PHE CB C 63 39.163 39.163 41.033 -1.870 25761 2821 1 6 . 1 1 63 63 PHE H H 63 8.431 8.431 8.639 -0.208 25761 2822 1 6 . 1 1 64 64 TRP N N 64 119.550 119.550 120.062 -0.512 25761 2823 1 6 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.226 -0.200 25761 2824 1 6 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.628 -2.439 25761 2825 1 6 . 1 1 64 64 TRP CB C 64 29.883 29.883 31.191 -1.308 25761 2826 1 6 . 1 1 64 64 TRP H H 64 8.914 8.914 8.004 0.910 25761 2827 1 6 . 1 1 65 65 MET N N 65 118.324 118.324 120.539 -2.215 25761 2828 1 6 . 1 1 65 65 MET HA H 65 5.156 5.156 5.173 -0.017 25761 2829 1 6 . 1 1 65 65 MET CA C 65 50.438 50.438 53.904 -3.466 25761 2830 1 6 . 1 1 65 65 MET CB C 65 32.296 32.296 35.799 -3.503 25761 2831 1 6 . 1 1 65 65 MET H H 65 9.282 9.282 8.420 0.862 25761 2832 1 6 . 1 1 66 66 GLN N N 66 119.469 119.469 118.804 0.665 25761 2833 1 6 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.829 0.685 25761 2834 1 6 . 1 1 66 66 GLN CA C 66 49.965 49.965 53.511 -3.546 25761 2835 1 6 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.165 0.335 25761 2836 1 6 . 1 1 66 66 GLN H H 66 8.785 8.785 8.933 -0.148 25761 2837 1 6 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.423 -0.302 25761 2838 1 6 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.676 -2.810 25761 2839 1 6 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.146 -2.109 25761 2840 1 6 . 1 1 68 68 VAL N N 68 119.433 119.433 120.599 -1.166 25761 2841 1 6 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.052 -0.093 25761 2842 1 6 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.105 -4.271 25761 2843 1 6 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.753 -0.721 25761 2844 1 6 . 1 1 68 68 VAL H H 68 8.464 8.464 7.563 0.901 25761 2845 1 6 . 1 1 69 69 ARG N N 69 127.119 127.119 129.161 -2.042 25761 2846 1 6 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.330 0.006 25761 2847 1 6 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.858 -4.046 25761 2848 1 6 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.207 -2.284 25761 2849 1 6 . 1 1 69 69 ARG H H 69 8.519 8.519 8.919 -0.400 25761 2850 1 6 . 1 1 70 70 SER N N 70 115.574 115.574 113.056 2.518 25761 2851 1 6 . 1 1 70 70 SER HA H 70 4.598 4.598 4.708 -0.110 25761 2852 1 6 . 1 1 70 70 SER CA C 70 54.127 54.127 57.695 -3.568 25761 2853 1 6 . 1 1 70 70 SER CB C 70 62.189 62.189 64.960 -2.771 25761 2854 1 6 . 1 1 70 70 SER H H 70 7.955 7.955 7.774 0.181 25761 2855 1 6 . 1 1 71 71 THR N N 71 114.592 114.592 111.864 2.728 25761 2856 1 6 . 1 1 71 71 THR HA H 71 5.244 5.244 4.446 0.798 25761 2857 1 6 . 1 1 71 71 THR CA C 71 58.147 58.147 61.145 -2.998 25761 2858 1 6 . 1 1 71 71 THR CB C 71 66.895 66.895 69.533 -2.638 25761 2859 1 6 . 1 1 71 71 THR H H 71 8.285 8.285 8.244 0.041 25761 2860 1 6 . 1 1 72 72 PHE N N 72 125.101 125.101 122.483 2.618 25761 2861 1 6 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.393 0.548 25761 2862 1 6 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.312 -4.177 25761 2863 1 6 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.198 -2.267 25761 2864 1 6 . 1 1 72 72 PHE H H 72 8.649 8.649 7.804 0.845 25761 2865 1 6 . 1 1 73 73 GLU N N 73 129.014 129.014 126.393 2.621 25761 2866 1 6 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.929 -0.378 25761 2867 1 6 . 1 1 73 73 GLU CA C 73 59.415 59.415 62.069 -2.654 25761 2868 1 6 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.288 5.604 25761 2869 1 6 . 1 1 73 73 GLU H H 73 9.018 9.018 9.116 -0.098 25761 2870 1 6 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.214 -2.117 25761 2871 1 6 . 1 1 75 75 ASP N N 75 116.246 116.246 119.514 -3.268 25761 2872 1 6 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.498 -0.048 25761 2873 1 6 . 1 1 75 75 ASP CA C 75 54.550 54.550 57.321 -2.771 25761 2874 1 6 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.389 -2.648 25761 2875 1 6 . 1 1 75 75 ASP H H 75 7.493 7.493 8.031 -0.538 25761 2876 1 6 . 1 1 76 76 LEU N N 76 121.503 121.503 120.561 0.942 25761 2877 1 6 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.018 -0.032 25761 2878 1 6 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.427 -4.183 25761 2879 1 6 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.008 -4.769 25761 2880 1 6 . 1 1 76 76 LEU H H 76 7.651 7.651 7.740 -0.089 25761 2881 1 6 . 1 1 77 77 ASP N N 77 120.554 120.554 119.173 1.381 25761 2882 1 6 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.326 -0.035 25761 2883 1 6 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.206 -2.511 25761 2884 1 6 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.899 -3.705 25761 2885 1 6 . 1 1 77 77 ASP H H 77 8.117 8.117 7.874 0.243 25761 2886 1 6 . 1 1 78 78 ALA N N 78 121.953 121.953 122.623 -0.670 25761 2887 1 6 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.261 -0.118 25761 2888 1 6 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.902 -2.532 25761 2889 1 6 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.307 -2.908 25761 2890 1 6 . 1 1 78 78 ALA H H 78 7.904 7.904 8.005 -0.101 25761 2891 1 6 . 1 1 79 79 TYR N N 79 119.746 119.746 120.584 -0.838 25761 2892 1 6 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.016 -0.127 25761 2893 1 6 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.894 -2.509 25761 2894 1 6 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.405 -2.594 25761 2895 1 6 . 1 1 79 79 TYR H H 79 7.422 7.422 8.009 -0.587 25761 2896 1 6 . 1 1 80 80 ALA N N 80 122.107 122.107 120.658 1.449 25761 2897 1 6 . 1 1 80 80 ALA HA H 80 3.770 3.770 3.999 -0.229 25761 2898 1 6 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.336 -2.806 25761 2899 1 6 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.223 -2.845 25761 2900 1 6 . 1 1 80 80 ALA H H 80 8.376 8.376 8.134 0.242 25761 2901 1 6 . 1 1 81 81 GLU N N 81 118.620 118.620 118.410 0.210 25761 2902 1 6 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.019 -0.175 25761 2903 1 6 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.871 -2.158 25761 2904 1 6 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.708 -2.829 25761 2905 1 6 . 1 1 81 81 GLU H H 81 8.149 8.149 7.991 0.158 25761 2906 1 6 . 1 1 82 82 ARG N N 82 120.032 120.032 119.492 0.540 25761 2907 1 6 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.058 -0.310 25761 2908 1 6 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.847 -2.060 25761 2909 1 6 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.278 -5.125 25761 2910 1 6 . 1 1 82 82 ARG H H 82 7.535 7.535 7.916 -0.381 25761 2911 1 6 . 1 1 83 83 ALA N N 83 122.089 122.089 120.931 1.158 25761 2912 1 6 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.899 -0.191 25761 2913 1 6 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.909 -2.584 25761 2914 1 6 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.329 -2.660 25761 2915 1 6 . 1 1 83 83 ALA H H 83 8.467 8.467 8.100 0.367 25761 2916 1 6 . 1 1 84 84 ALA N N 84 118.529 118.529 117.439 1.090 25761 2917 1 6 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.152 0.090 25761 2918 1 6 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.595 -2.606 25761 2919 1 6 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.028 -2.847 25761 2920 1 6 . 1 1 84 84 ALA H H 84 7.517 7.517 7.634 -0.117 25761 2921 1 6 . 1 1 85 85 ARG N N 85 117.478 117.478 116.337 1.141 25761 2922 1 6 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.389 -0.402 25761 2923 1 6 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.098 -1.407 25761 2924 1 6 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.556 -3.970 25761 2925 1 6 . 1 1 85 85 ARG H H 85 7.278 7.278 7.658 -0.380 25761 2926 1 6 . 1 1 86 86 ILE N N 86 118.079 118.079 118.204 -0.125 25761 2927 1 6 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.137 -0.390 25761 2928 1 6 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.617 -1.086 25761 2929 1 6 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.307 -3.094 25761 2930 1 6 . 1 1 86 86 ILE H H 86 7.286 7.286 7.616 -0.330 25761 2931 1 6 . 1 1 87 87 ASP N N 87 117.833 117.833 121.931 -4.098 25761 2932 1 6 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.709 0.271 25761 2933 1 6 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.262 -6.620 25761 2934 1 6 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.369 -2.193 25761 2935 1 6 . 1 1 87 87 ASP H H 87 7.973 7.973 7.865 0.108 25761 2936 1 6 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.374 0.267 25761 2937 1 6 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.066 -3.517 25761 2938 1 6 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.441 -2.882 25761 2939 1 6 . 1 1 89 89 ASP N N 89 120.189 120.189 118.403 1.786 25761 2940 1 6 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.798 -0.112 25761 2941 1 6 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.843 -2.470 25761 2942 1 6 . 1 1 89 89 ASP H H 89 7.960 7.960 8.467 -0.507 25761 2943 1 6 . 1 1 90 90 ILE N N 90 120.372 120.372 122.355 -1.983 25761 2944 1 6 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.830 -0.275 25761 2945 1 6 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.466 0.556 25761 2946 1 6 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.728 -2.530 25761 2947 1 6 . 1 1 90 90 ILE H H 90 7.234 7.234 8.333 -1.099 25761 2948 1 6 . 1 1 91 91 TRP N N 91 122.596 122.596 126.850 -4.254 25761 2949 1 6 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.941 -0.052 25761 2950 1 6 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.724 -4.057 25761 2951 1 6 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.671 -3.041 25761 2952 1 6 . 1 1 91 91 TRP H H 91 9.295 9.295 9.161 0.134 25761 2953 1 6 . 1 1 92 92 VAL N N 92 118.958 118.958 119.108 -0.150 25761 2954 1 6 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.897 0.251 25761 2955 1 6 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.159 -1.762 25761 2956 1 6 . 1 1 92 92 VAL CB C 92 31.825 31.825 35.014 -3.189 25761 2957 1 6 . 1 1 92 92 VAL H H 92 9.040 9.040 8.615 0.425 25761 2958 1 6 . 1 1 93 93 VAL N N 93 129.129 129.129 126.435 2.694 25761 2959 1 6 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.643 0.126 25761 2960 1 6 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.226 -3.911 25761 2961 1 6 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.482 -0.934 25761 2962 1 6 . 1 1 93 93 VAL H H 93 9.201 9.201 8.925 0.276 25761 2963 1 6 . 1 1 94 94 GLU N N 94 126.192 126.192 127.417 -1.225 25761 2964 1 6 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.987 0.425 25761 2965 1 6 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.591 -2.827 25761 2966 1 6 . 1 1 94 94 GLU CB C 94 29.584 29.584 30.665 -1.081 25761 2967 1 6 . 1 1 94 94 GLU H H 94 9.161 9.161 8.104 1.057 25761 2968 1 6 . 1 1 95 95 ILE N N 95 125.285 125.285 124.672 0.613 25761 2969 1 6 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.841 -0.070 25761 2970 1 6 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.574 -1.254 25761 2971 1 6 . 1 1 95 95 ILE CB C 95 38.475 38.475 39.422 -0.947 25761 2972 1 6 . 1 1 95 95 ILE H H 95 9.347 9.347 8.533 0.814 25761 2973 1 6 . 1 1 96 96 GLU N N 96 128.539 128.539 126.305 2.234 25761 2974 1 6 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.729 0.426 25761 2975 1 6 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.353 -2.803 25761 2976 1 6 . 1 1 96 96 GLU CB C 96 29.061 29.061 32.195 -3.134 25761 2977 1 6 . 1 1 96 96 GLU H H 96 9.390 9.390 8.778 0.612 25761 2978 1 6 . 1 1 97 97 ASP N N 97 123.516 123.516 124.325 -0.809 25761 2979 1 6 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.937 0.382 25761 2980 1 6 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.422 -1.653 25761 2981 1 6 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.734 2.103 25761 2982 1 6 . 1 1 97 97 ASP H H 97 8.582 8.582 8.502 0.080 25761 2983 1 6 . 1 1 98 98 ARG N N 98 127.597 127.597 121.718 5.879 25761 2984 1 6 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.163 -0.092 25761 2985 1 6 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.483 -2.997 25761 2986 1 6 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.640 -3.070 25761 2987 1 6 . 1 1 98 98 ARG H H 98 8.914 8.914 8.738 0.176 25761 2988 1 6 . 1 1 99 99 ASP N N 99 115.196 115.196 117.691 -2.495 25761 2989 1 6 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.624 0.354 25761 2990 1 6 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.263 -2.255 25761 2991 1 6 . 1 1 99 99 ASP CB C 99 39.782 39.782 39.820 -0.038 25761 2992 1 6 . 1 1 99 99 ASP H H 99 7.379 7.379 8.290 -0.911 25761 2993 1 6 . 1 1 100 100 GLY N N 100 106.976 106.976 107.256 -0.280 25761 2994 1 6 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.943 -1.310 25761 2995 1 6 . 1 1 100 100 GLY H H 100 7.481 7.481 7.715 -0.234 25761 2996 1 6 . 1 1 101 101 ARG N N 101 120.072 120.072 119.623 0.449 25761 2997 1 6 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.176 -0.734 25761 2998 1 6 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.221 -1.034 25761 2999 1 6 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.413 -3.554 25761 3000 1 6 . 1 1 101 101 ARG H H 101 8.798 8.798 7.908 0.890 25761 3001 1 6 . 1 1 102 102 HIS N N 102 112.990 112.990 119.311 -6.321 25761 3002 1 6 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.782 -0.429 25761 3003 1 6 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.793 -4.110 25761 3004 1 6 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.181 -0.657 25761 3005 1 6 . 1 1 102 102 HIS H H 102 5.928 5.928 7.826 -1.898 25761 3006 1 6 . 1 1 103 103 PHE N N 103 106.623 106.623 114.311 -7.688 25761 3007 1 6 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.030 -0.637 25761 3008 1 6 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.327 -1.452 25761 3009 1 6 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.544 -3.193 25761 3010 1 6 . 1 1 103 103 PHE H H 103 6.660 6.660 7.845 -1.185 25761 3011 1 6 . 1 1 104 104 LEU N N 104 123.743 123.743 121.148 2.595 25761 3012 1 6 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.191 0.057 25761 3013 1 6 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.715 -2.865 25761 3014 1 6 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.808 -3.551 25761 3015 1 6 . 1 1 104 104 LEU H H 104 10.737 10.737 7.670 3.067 25761 3016 1 6 . 1 1 105 105 THR N N 105 113.822 113.822 118.308 -4.486 25761 3017 1 6 . 1 1 105 105 THR HA H 105 4.313 4.313 4.362 -0.049 25761 3018 1 6 . 1 1 105 105 THR CA C 105 59.658 59.658 63.186 -3.528 25761 3019 1 6 . 1 1 105 105 THR CB C 105 66.210 66.210 68.817 -2.607 25761 3020 1 6 . 1 1 105 105 THR H H 105 9.213 9.213 8.500 0.713 25761 3021 1 6 . 1 1 106 106 GLU N N 106 123.871 123.871 120.673 3.198 25761 3022 1 6 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.684 -0.071 25761 3023 1 6 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.022 -6.887 25761 3024 1 6 . 1 1 106 106 GLU H H 106 7.734 7.734 7.879 -0.145 25761 3025 1 6 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.488 -0.224 25761 3026 1 6 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.956 -1.492 25761 3027 1 6 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.644 -2.841 25761 3028 1 6 . 1 1 108 108 VAL N N 108 120.628 120.628 123.115 -2.487 25761 3029 1 6 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.226 -2.418 25761 3030 1 6 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.095 -1.905 25761 3031 1 6 . 1 1 108 108 VAL H H 108 8.137 8.137 8.239 -0.102 25761 3032 1 6 . 1 1 109 109 GLU N N 109 128.850 128.850 126.912 1.938 25761 3033 1 6 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.544 -0.105 25761 3034 1 6 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.782 -2.874 25761 3035 1 6 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.230 -2.783 25761 3036 1 6 . 1 1 109 109 GLU H H 109 9.095 9.095 8.781 0.314 25761 3037 1 7 . 1 1 2 2 MET HA H 2 4.380 4.380 5.311 -0.931 25761 3038 1 7 . 1 1 2 2 MET CA C 2 52.819 52.819 54.256 -1.437 25761 3039 1 7 . 1 1 2 2 MET CB C 2 30.830 30.830 36.004 -5.174 25761 3040 1 7 . 1 1 3 3 LEU N N 3 123.960 123.960 124.125 -0.165 25761 3041 1 7 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.707 -0.417 25761 3042 1 7 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.700 -2.030 25761 3043 1 7 . 1 1 3 3 LEU CB C 3 39.928 39.928 43.484 -3.556 25761 3044 1 7 . 1 1 3 3 LEU H H 3 8.399 8.399 8.745 -0.346 25761 3045 1 7 . 1 1 4 4 LEU N N 4 123.372 123.372 122.319 1.053 25761 3046 1 7 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.596 -0.139 25761 3047 1 7 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.227 -2.580 25761 3048 1 7 . 1 1 4 4 LEU CB C 4 41.002 41.002 44.187 -3.185 25761 3049 1 7 . 1 1 4 4 LEU H H 4 8.134 8.134 8.202 -0.068 25761 3050 1 7 . 1 1 5 5 SER N N 5 117.439 117.439 114.477 2.962 25761 3051 1 7 . 1 1 5 5 SER HA H 5 4.628 4.628 4.620 0.008 25761 3052 1 7 . 1 1 5 5 SER CA C 5 56.192 56.192 56.685 -0.493 25761 3053 1 7 . 1 1 5 5 SER CB C 5 61.291 61.291 66.122 -4.831 25761 3054 1 7 . 1 1 5 5 SER H H 5 8.075 8.075 7.479 0.596 25761 3055 1 7 . 1 1 6 6 THR N N 6 121.297 121.297 118.765 2.532 25761 3056 1 7 . 1 1 6 6 THR HA H 6 3.713 3.713 4.031 -0.318 25761 3057 1 7 . 1 1 6 6 THR CA C 6 64.981 64.981 67.347 -2.366 25761 3058 1 7 . 1 1 6 6 THR CB C 6 65.860 65.860 68.638 -2.778 25761 3059 1 7 . 1 1 6 6 THR H H 6 7.681 7.681 8.570 -0.889 25761 3060 1 7 . 1 1 7 7 ASP N N 7 119.550 119.550 120.667 -1.117 25761 3061 1 7 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.822 -0.080 25761 3062 1 7 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.086 -2.089 25761 3063 1 7 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.978 -4.186 25761 3064 1 7 . 1 1 7 7 ASP H H 7 9.044 9.044 7.583 1.461 25761 3065 1 7 . 1 1 8 8 ILE N N 8 123.495 123.495 119.940 3.555 25761 3066 1 7 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.700 0.021 25761 3067 1 7 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.536 -2.561 25761 3068 1 7 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.546 -1.419 25761 3069 1 7 . 1 1 8 8 ILE H H 8 7.749 7.749 7.224 0.525 25761 3070 1 7 . 1 1 9 9 TRP N N 9 124.446 124.446 119.842 4.604 25761 3071 1 7 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.387 -0.543 25761 3072 1 7 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.225 -0.089 25761 3073 1 7 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.599 -1.624 25761 3074 1 7 . 1 1 9 9 TRP H H 9 8.232 8.232 7.478 0.754 25761 3075 1 7 . 1 1 10 10 VAL N N 10 121.207 121.207 120.387 0.820 25761 3076 1 7 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.562 -0.397 25761 3077 1 7 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.725 -2.490 25761 3078 1 7 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.704 -1.688 25761 3079 1 7 . 1 1 10 10 VAL H H 10 9.240 9.240 7.916 1.324 25761 3080 1 7 . 1 1 11 11 ALA N N 11 120.679 120.679 122.048 -1.369 25761 3081 1 7 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.944 -0.095 25761 3082 1 7 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.422 -2.943 25761 3083 1 7 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.077 -2.932 25761 3084 1 7 . 1 1 11 11 ALA H H 11 7.718 7.718 8.295 -0.577 25761 3085 1 7 . 1 1 12 12 ALA N N 12 120.217 120.217 121.736 -1.519 25761 3086 1 7 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.042 -0.137 25761 3087 1 7 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.910 -2.914 25761 3088 1 7 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.399 -3.460 25761 3089 1 7 . 1 1 12 12 ALA H H 12 7.642 7.642 8.054 -0.412 25761 3090 1 7 . 1 1 13 13 LEU N N 13 122.821 122.821 120.348 2.473 25761 3091 1 7 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.013 -0.468 25761 3092 1 7 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.008 -2.466 25761 3093 1 7 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.914 -3.465 25761 3094 1 7 . 1 1 13 13 LEU H H 13 7.320 7.320 8.265 -0.945 25761 3095 1 7 . 1 1 14 14 ILE N N 14 117.258 117.258 118.376 -1.118 25761 3096 1 7 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.744 -0.692 25761 3097 1 7 . 1 1 14 14 ILE CA C 14 62.205 62.205 63.608 -1.403 25761 3098 1 7 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.370 -1.593 25761 3099 1 7 . 1 1 14 14 ILE H H 14 8.105 8.105 8.433 -0.328 25761 3100 1 7 . 1 1 15 15 ARG N N 15 117.921 117.921 119.234 -1.313 25761 3101 1 7 . 1 1 15 15 ARG HA H 15 3.960 3.960 4.082 -0.122 25761 3102 1 7 . 1 1 15 15 ARG CA C 15 56.068 56.068 58.254 -2.186 25761 3103 1 7 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.794 -2.492 25761 3104 1 7 . 1 1 15 15 ARG H H 15 7.574 7.574 8.185 -0.611 25761 3105 1 7 . 1 1 16 16 ARG N N 16 118.635 118.635 117.426 1.209 25761 3106 1 7 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.333 -0.632 25761 3107 1 7 . 1 1 16 16 ARG CA C 16 57.654 57.654 57.417 0.237 25761 3108 1 7 . 1 1 16 16 ARG CB C 16 28.131 28.131 30.695 -2.564 25761 3109 1 7 . 1 1 16 16 ARG H H 16 7.832 7.832 7.890 -0.058 25761 3110 1 7 . 1 1 17 17 ALA N N 17 122.335 122.335 122.361 -0.026 25761 3111 1 7 . 1 1 17 17 ALA HA H 17 3.052 3.052 3.072 -0.020 25761 3112 1 7 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.384 7.976 25761 3113 1 7 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.129 -2.576 25761 3114 1 7 . 1 1 17 17 ALA H H 17 7.856 7.856 8.286 -0.430 25761 3115 1 7 . 1 1 18 18 GLU N N 18 118.223 118.223 119.320 -1.097 25761 3116 1 7 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.193 -0.202 25761 3117 1 7 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.752 -2.264 25761 3118 1 7 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.251 -2.465 25761 3119 1 7 . 1 1 18 18 GLU H H 18 8.303 8.303 7.561 0.742 25761 3120 1 7 . 1 1 19 19 LEU N N 19 122.454 122.454 120.003 2.451 25761 3121 1 7 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.013 -0.009 25761 3122 1 7 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.594 -1.737 25761 3123 1 7 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.453 -2.338 25761 3124 1 7 . 1 1 19 19 LEU H H 19 8.402 8.402 8.037 0.365 25761 3125 1 7 . 1 1 20 20 GLY N N 20 105.446 105.446 105.694 -0.248 25761 3126 1 7 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.898 -2.155 25761 3127 1 7 . 1 1 20 20 GLY H H 20 7.468 7.468 7.831 -0.363 25761 3128 1 7 . 1 1 21 21 GLY N N 21 107.714 107.714 109.051 -1.337 25761 3129 1 7 . 1 1 21 21 GLY CA C 21 42.627 42.627 45.009 -2.382 25761 3130 1 7 . 1 1 21 21 GLY H H 21 7.754 7.754 7.980 -0.226 25761 3131 1 7 . 1 1 22 22 ALA N N 22 123.725 123.725 121.141 2.584 25761 3132 1 7 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.701 -0.037 25761 3133 1 7 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.962 -2.724 25761 3134 1 7 . 1 1 22 22 ALA CB C 22 19.283 19.283 22.088 -2.805 25761 3135 1 7 . 1 1 22 22 ALA H H 22 8.012 8.012 7.318 0.694 25761 3136 1 7 . 1 1 23 23 PHE N N 23 117.564 117.564 120.829 -3.265 25761 3137 1 7 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.893 -0.054 25761 3138 1 7 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.690 -2.928 25761 3139 1 7 . 1 1 23 23 PHE CB C 23 38.656 38.656 42.332 -3.676 25761 3140 1 7 . 1 1 23 23 PHE H H 23 8.128 8.128 8.207 -0.079 25761 3141 1 7 . 1 1 24 24 ALA N N 24 128.638 128.638 128.242 0.396 25761 3142 1 7 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.390 0.062 25761 3143 1 7 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.124 -3.613 25761 3144 1 7 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.424 -1.046 25761 3145 1 7 . 1 1 24 24 ALA H H 24 8.542 8.542 8.033 0.509 25761 3146 1 7 . 1 1 25 25 THR N N 25 115.207 115.207 113.820 1.387 25761 3147 1 7 . 1 1 25 25 THR HA H 25 4.394 4.394 4.416 -0.022 25761 3148 1 7 . 1 1 25 25 THR CA C 25 57.830 57.830 61.277 -3.447 25761 3149 1 7 . 1 1 25 25 THR CB C 25 69.095 69.095 70.555 -1.460 25761 3150 1 7 . 1 1 25 25 THR H H 25 9.003 9.003 8.550 0.453 25761 3151 1 7 . 1 1 26 26 VAL N N 26 125.712 125.712 122.217 3.495 25761 3152 1 7 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.639 -0.457 25761 3153 1 7 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.569 -1.083 25761 3154 1 7 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.015 -4.467 25761 3155 1 7 . 1 1 26 26 VAL H H 26 8.739 8.739 8.341 0.398 25761 3156 1 7 . 1 1 27 27 ALA N N 27 134.206 134.206 131.419 2.787 25761 3157 1 7 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.536 -0.291 25761 3158 1 7 . 1 1 27 27 ALA CA C 27 50.742 50.742 51.869 -1.127 25761 3159 1 7 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.646 -4.115 25761 3160 1 7 . 1 1 27 27 ALA H H 27 8.412 8.412 9.232 -0.820 25761 3161 1 7 . 1 1 28 28 ARG N N 28 117.751 117.751 119.184 -1.433 25761 3162 1 7 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.344 -0.136 25761 3163 1 7 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.947 -2.289 25761 3164 1 7 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.733 -2.733 25761 3165 1 7 . 1 1 28 28 ARG H H 28 8.090 8.090 7.766 0.324 25761 3166 1 7 . 1 1 29 29 LYS N N 29 128.417 128.417 125.142 3.275 25761 3167 1 7 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.612 -0.503 25761 3168 1 7 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.878 -2.086 25761 3169 1 7 . 1 1 29 29 LYS CB C 29 30.289 30.289 31.718 -1.429 25761 3170 1 7 . 1 1 29 29 LYS H H 29 8.536 8.536 8.411 0.125 25761 3171 1 7 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.593 -2.735 25761 3172 1 7 . 1 1 31 31 ASP N N 31 120.477 120.477 120.228 0.249 25761 3173 1 7 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.607 -0.103 25761 3174 1 7 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.750 -2.113 25761 3175 1 7 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.951 -1.601 25761 3176 1 7 . 1 1 31 31 ASP H H 31 8.445 8.445 8.065 0.380 25761 3177 1 7 . 1 1 32 32 ALA N N 32 133.865 133.865 130.671 3.194 25761 3178 1 7 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.500 -0.131 25761 3179 1 7 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.909 -1.622 25761 3180 1 7 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.312 -2.257 25761 3181 1 7 . 1 1 32 32 ALA H H 32 9.236 9.236 9.101 0.135 25761 3182 1 7 . 1 1 33 33 ARG N N 33 113.991 113.991 118.465 -4.474 25761 3183 1 7 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.286 0.128 25761 3184 1 7 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.612 -2.827 25761 3185 1 7 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.451 -3.268 25761 3186 1 7 . 1 1 33 33 ARG H H 33 7.913 7.913 9.072 -1.159 25761 3187 1 7 . 1 1 34 34 ALA N N 34 120.593 120.593 120.438 0.155 25761 3188 1 7 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.705 -0.031 25761 3189 1 7 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.896 -2.360 25761 3190 1 7 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.435 -1.621 25761 3191 1 7 . 1 1 34 34 ALA H H 34 8.306 8.306 7.636 0.670 25761 3192 1 7 . 1 1 35 35 GLY N N 35 107.349 107.349 107.751 -0.402 25761 3193 1 7 . 1 1 35 35 GLY CA C 35 44.450 44.450 43.820 0.630 25761 3194 1 7 . 1 1 35 35 GLY H H 35 7.715 7.715 7.823 -0.108 25761 3195 1 7 . 1 1 36 36 ALA N N 36 127.073 127.073 124.268 2.805 25761 3196 1 7 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.585 -0.227 25761 3197 1 7 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.506 -2.365 25761 3198 1 7 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.382 -3.415 25761 3199 1 7 . 1 1 36 36 ALA H H 36 8.935 8.935 8.252 0.683 25761 3200 1 7 . 1 1 37 37 VAL N N 37 116.903 116.903 119.321 -2.418 25761 3201 1 7 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.620 0.129 25761 3202 1 7 . 1 1 37 37 VAL CB C 37 33.582 33.582 34.556 -0.973 25761 3203 1 7 . 1 1 37 37 VAL H H 37 7.830 7.830 8.228 -0.398 25761 3204 1 7 . 1 1 38 38 LEU N N 38 126.366 126.366 128.408 -2.042 25761 3205 1 7 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.013 0.518 25761 3206 1 7 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.920 -3.045 25761 3207 1 7 . 1 1 38 38 LEU CB C 38 41.970 41.970 43.115 -1.145 25761 3208 1 7 . 1 1 38 38 LEU H H 38 8.926 8.926 9.163 -0.237 25761 3209 1 7 . 1 1 39 39 VAL N N 39 121.843 121.843 124.756 -2.913 25761 3210 1 7 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.574 0.305 25761 3211 1 7 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.403 -3.060 25761 3212 1 7 . 1 1 39 39 VAL CB C 39 32.192 32.192 33.097 -0.905 25761 3213 1 7 . 1 1 39 39 VAL H H 39 8.819 8.819 9.052 -0.233 25761 3214 1 7 . 1 1 40 40 LYS N N 40 129.592 129.592 129.043 0.549 25761 3215 1 7 . 1 1 40 40 LYS HA H 40 5.279 5.279 5.020 0.259 25761 3216 1 7 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.664 -6.673 25761 3217 1 7 . 1 1 40 40 LYS CB C 40 31.682 31.682 35.224 -3.542 25761 3218 1 7 . 1 1 40 40 LYS H H 40 9.438 9.438 9.087 0.351 25761 3219 1 7 . 1 1 41 41 ALA N N 41 131.659 131.659 129.784 1.875 25761 3220 1 7 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.468 -0.219 25761 3221 1 7 . 1 1 41 41 ALA CA C 41 51.816 51.816 49.977 1.839 25761 3222 1 7 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.565 -4.920 25761 3223 1 7 . 1 1 41 41 ALA H H 41 9.349 9.349 9.247 0.102 25761 3224 1 7 . 1 1 42 42 VAL N N 42 127.668 127.668 123.017 4.651 25761 3225 1 7 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.423 -0.154 25761 3226 1 7 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.012 -1.391 25761 3227 1 7 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.935 -2.057 25761 3228 1 7 . 1 1 42 42 VAL H H 42 9.517 9.517 8.971 0.546 25761 3229 1 7 . 1 1 43 43 ASP N N 43 127.524 127.524 128.183 -0.659 25761 3230 1 7 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.849 0.037 25761 3231 1 7 . 1 1 43 43 ASP CA C 43 49.630 49.630 54.374 -4.745 25761 3232 1 7 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.829 -3.302 25761 3233 1 7 . 1 1 43 43 ASP H H 43 8.821 8.821 8.795 0.026 25761 3234 1 7 . 1 1 44 44 ARG N N 44 123.676 123.676 127.414 -3.738 25761 3235 1 7 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.076 0.019 25761 3236 1 7 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.739 -3.067 25761 3237 1 7 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.323 -2.229 25761 3238 1 7 . 1 1 44 44 ARG H H 44 8.435 8.435 8.828 -0.393 25761 3239 1 7 . 1 1 45 45 ARG N N 45 120.486 120.486 118.042 2.444 25761 3240 1 7 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.212 -0.081 25761 3241 1 7 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.151 -1.544 25761 3242 1 7 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.550 -2.486 25761 3243 1 7 . 1 1 45 45 ARG H H 45 8.551 8.551 7.892 0.659 25761 3244 1 7 . 1 1 46 46 GLU N N 46 116.189 116.189 117.399 -1.210 25761 3245 1 7 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.236 0.017 25761 3246 1 7 . 1 1 46 46 GLU CA C 46 53.438 53.438 57.049 -3.611 25761 3247 1 7 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.224 -1.609 25761 3248 1 7 . 1 1 46 46 GLU H H 46 7.918 7.918 8.856 -0.938 25761 3249 1 7 . 1 1 47 47 GLY N N 47 108.218 108.218 108.460 -0.242 25761 3250 1 7 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.188 -1.218 25761 3251 1 7 . 1 1 47 47 GLY H H 47 8.159 8.159 8.104 0.055 25761 3252 1 7 . 1 1 48 48 THR N N 48 109.683 109.683 112.913 -3.230 25761 3253 1 7 . 1 1 48 48 THR HA H 48 4.639 4.639 4.494 0.145 25761 3254 1 7 . 1 1 48 48 THR CA C 48 57.215 57.215 60.492 -3.277 25761 3255 1 7 . 1 1 48 48 THR CB C 48 69.275 69.275 69.622 -0.347 25761 3256 1 7 . 1 1 48 48 THR H H 48 7.485 7.485 7.398 0.087 25761 3257 1 7 . 1 1 49 49 ALA N N 49 122.571 122.571 128.061 -5.490 25761 3258 1 7 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.945 0.211 25761 3259 1 7 . 1 1 49 49 ALA CA C 49 48.011 48.011 50.744 -2.733 25761 3260 1 7 . 1 1 49 49 ALA CB C 49 21.004 21.004 21.094 -0.090 25761 3261 1 7 . 1 1 49 49 ALA H H 49 8.530 8.530 8.742 -0.212 25761 3262 1 7 . 1 1 50 50 ARG N N 50 115.654 115.654 119.674 -4.020 25761 3263 1 7 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.617 0.023 25761 3264 1 7 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.843 -3.337 25761 3265 1 7 . 1 1 50 50 ARG CB C 50 33.832 33.832 33.265 0.567 25761 3266 1 7 . 1 1 50 50 ARG H H 50 8.168 8.168 8.634 -0.466 25761 3267 1 7 . 1 1 51 51 LEU N N 51 122.400 122.400 123.228 -0.828 25761 3268 1 7 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.849 0.425 25761 3269 1 7 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.824 -3.448 25761 3270 1 7 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.819 -0.660 25761 3271 1 7 . 1 1 51 51 LEU H H 51 8.213 8.213 8.328 -0.115 25761 3272 1 7 . 1 1 52 52 PHE N N 52 124.579 124.579 124.187 0.392 25761 3273 1 7 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.342 0.208 25761 3274 1 7 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.426 -2.752 25761 3275 1 7 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.544 -1.925 25761 3276 1 7 . 1 1 52 52 PHE H H 52 9.546 9.546 9.390 0.156 25761 3277 1 7 . 1 1 53 53 SER N N 53 115.953 115.953 115.908 0.045 25761 3278 1 7 . 1 1 53 53 SER HA H 53 5.267 5.267 5.130 0.137 25761 3279 1 7 . 1 1 53 53 SER CA C 53 53.513 53.513 56.692 -3.179 25761 3280 1 7 . 1 1 53 53 SER CB C 53 64.255 64.255 66.466 -2.211 25761 3281 1 7 . 1 1 53 53 SER H H 53 9.727 9.727 9.188 0.539 25761 3282 1 7 . 1 1 54 54 GLU N N 54 124.987 124.987 126.441 -1.454 25761 3283 1 7 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.354 -0.746 25761 3284 1 7 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.412 -2.095 25761 3285 1 7 . 1 1 54 54 GLU CB C 54 32.677 32.677 29.970 2.707 25761 3286 1 7 . 1 1 54 54 GLU H H 54 8.431 8.431 7.972 0.459 25761 3287 1 7 . 1 1 55 55 ALA N N 55 127.789 127.789 124.124 3.665 25761 3288 1 7 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.493 -0.233 25761 3289 1 7 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.063 -3.058 25761 3290 1 7 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.154 -1.472 25761 3291 1 7 . 1 1 55 55 ALA H H 55 8.430 8.430 7.382 1.048 25761 3292 1 7 . 1 1 56 56 THR N N 56 111.341 111.341 111.363 -0.022 25761 3293 1 7 . 1 1 56 56 THR HA H 56 5.038 5.038 5.385 -0.347 25761 3294 1 7 . 1 1 56 56 THR CA C 56 58.078 58.078 60.240 -2.163 25761 3295 1 7 . 1 1 56 56 THR CB C 56 68.505 68.505 71.516 -3.011 25761 3296 1 7 . 1 1 56 56 THR H H 56 7.923 7.923 7.978 -0.055 25761 3297 1 7 . 1 1 57 57 ARG N N 57 124.295 124.295 125.084 -0.789 25761 3298 1 7 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.253 0.334 25761 3299 1 7 . 1 1 57 57 ARG CA C 57 52.325 52.325 57.597 -5.272 25761 3300 1 7 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.051 -0.384 25761 3301 1 7 . 1 1 57 57 ARG H H 57 9.054 9.054 9.007 0.047 25761 3302 1 7 . 1 1 58 58 GLY N N 58 109.220 109.220 107.841 1.379 25761 3303 1 7 . 1 1 58 58 GLY CA C 58 44.596 44.596 44.848 -0.252 25761 3304 1 7 . 1 1 58 58 GLY H H 58 8.706 8.706 8.408 0.298 25761 3305 1 7 . 1 1 59 59 ASP N N 59 120.555 120.555 123.282 -2.727 25761 3306 1 7 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.580 0.006 25761 3307 1 7 . 1 1 59 59 ASP CA C 59 50.369 50.369 54.928 -4.559 25761 3308 1 7 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.549 -3.152 25761 3309 1 7 . 1 1 59 59 ASP H H 59 8.194 8.194 8.404 -0.210 25761 3310 1 7 . 1 1 60 60 GLY N N 60 107.833 107.833 107.004 0.829 25761 3311 1 7 . 1 1 60 60 GLY CA C 60 42.913 42.913 44.831 -1.918 25761 3312 1 7 . 1 1 60 60 GLY H H 60 7.999 7.999 7.923 0.076 25761 3313 1 7 . 1 1 61 61 GLU N N 61 121.205 121.205 120.276 0.929 25761 3314 1 7 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.318 -0.132 25761 3315 1 7 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.439 -1.445 25761 3316 1 7 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.395 -2.464 25761 3317 1 7 . 1 1 61 61 GLU H H 61 7.910 7.910 8.297 -0.387 25761 3318 1 7 . 1 1 62 62 ARG N N 62 125.261 125.261 127.080 -1.819 25761 3319 1 7 . 1 1 62 62 ARG HA H 62 4.812 4.812 5.261 -0.449 25761 3320 1 7 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.047 -3.160 25761 3321 1 7 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.726 -2.808 25761 3322 1 7 . 1 1 62 62 ARG H H 62 8.219 8.219 8.559 -0.340 25761 3323 1 7 . 1 1 63 63 PHE N N 63 120.777 120.777 119.736 1.041 25761 3324 1 7 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.722 0.157 25761 3325 1 7 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.448 -2.648 25761 3326 1 7 . 1 1 63 63 PHE CB C 63 39.163 39.163 41.460 -2.297 25761 3327 1 7 . 1 1 63 63 PHE H H 63 8.431 8.431 8.311 0.120 25761 3328 1 7 . 1 1 64 64 TRP N N 64 119.550 119.550 120.986 -1.436 25761 3329 1 7 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.168 -0.142 25761 3330 1 7 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.399 -2.210 25761 3331 1 7 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.789 0.094 25761 3332 1 7 . 1 1 64 64 TRP H H 64 8.914 8.914 8.305 0.609 25761 3333 1 7 . 1 1 65 65 MET N N 65 118.324 118.324 120.463 -2.139 25761 3334 1 7 . 1 1 65 65 MET HA H 65 5.156 5.156 4.935 0.221 25761 3335 1 7 . 1 1 65 65 MET CA C 65 50.438 50.438 54.862 -4.424 25761 3336 1 7 . 1 1 65 65 MET CB C 65 32.296 32.296 34.425 -2.129 25761 3337 1 7 . 1 1 65 65 MET H H 65 9.282 9.282 7.796 1.486 25761 3338 1 7 . 1 1 66 66 GLN N N 66 119.469 119.469 116.491 2.978 25761 3339 1 7 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.922 0.592 25761 3340 1 7 . 1 1 66 66 GLN CA C 66 49.965 49.965 51.826 -1.861 25761 3341 1 7 . 1 1 66 66 GLN CB C 66 28.500 28.500 27.986 0.514 25761 3342 1 7 . 1 1 66 66 GLN H H 66 8.785 8.785 8.715 0.070 25761 3343 1 7 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.345 -0.224 25761 3344 1 7 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.480 -2.614 25761 3345 1 7 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.050 -2.014 25761 3346 1 7 . 1 1 68 68 VAL N N 68 119.433 119.433 122.099 -2.666 25761 3347 1 7 . 1 1 68 68 VAL HA H 68 3.959 3.959 3.853 0.106 25761 3348 1 7 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.806 -4.972 25761 3349 1 7 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.422 -0.390 25761 3350 1 7 . 1 1 68 68 VAL H H 68 8.464 8.464 7.306 1.158 25761 3351 1 7 . 1 1 69 69 ARG N N 69 127.119 127.119 125.986 1.133 25761 3352 1 7 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.359 -0.023 25761 3353 1 7 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.950 -4.138 25761 3354 1 7 . 1 1 69 69 ARG CB C 69 25.923 25.923 30.449 -4.526 25761 3355 1 7 . 1 1 69 69 ARG H H 69 8.519 8.519 8.674 -0.155 25761 3356 1 7 . 1 1 70 70 SER N N 70 115.574 115.574 112.912 2.662 25761 3357 1 7 . 1 1 70 70 SER HA H 70 4.598 4.598 4.615 -0.017 25761 3358 1 7 . 1 1 70 70 SER CA C 70 54.127 54.127 57.174 -3.047 25761 3359 1 7 . 1 1 70 70 SER CB C 70 62.189 62.189 65.655 -3.466 25761 3360 1 7 . 1 1 70 70 SER H H 70 7.955 7.955 7.646 0.309 25761 3361 1 7 . 1 1 71 71 THR N N 71 114.592 114.592 113.209 1.383 25761 3362 1 7 . 1 1 71 71 THR HA H 71 5.244 5.244 4.600 0.644 25761 3363 1 7 . 1 1 71 71 THR CA C 71 58.147 58.147 61.534 -3.387 25761 3364 1 7 . 1 1 71 71 THR CB C 71 66.895 66.895 69.234 -2.340 25761 3365 1 7 . 1 1 71 71 THR H H 71 8.285 8.285 8.549 -0.264 25761 3366 1 7 . 1 1 72 72 PHE N N 72 125.101 125.101 121.844 3.257 25761 3367 1 7 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.797 0.144 25761 3368 1 7 . 1 1 72 72 PHE CA C 72 53.135 53.135 55.492 -2.357 25761 3369 1 7 . 1 1 72 72 PHE CB C 72 36.931 36.931 42.678 -5.747 25761 3370 1 7 . 1 1 72 72 PHE H H 72 8.649 8.649 7.974 0.675 25761 3371 1 7 . 1 1 73 73 GLU N N 73 129.014 129.014 127.112 1.902 25761 3372 1 7 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.927 -0.376 25761 3373 1 7 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.407 -1.992 25761 3374 1 7 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.214 5.678 25761 3375 1 7 . 1 1 73 73 GLU H H 73 9.018 9.018 8.527 0.491 25761 3376 1 7 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.273 -2.176 25761 3377 1 7 . 1 1 75 75 ASP N N 75 116.246 116.246 117.963 -1.717 25761 3378 1 7 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.842 -0.392 25761 3379 1 7 . 1 1 75 75 ASP CA C 75 54.550 54.550 54.873 -0.323 25761 3380 1 7 . 1 1 75 75 ASP CB C 75 37.741 37.741 41.664 -3.924 25761 3381 1 7 . 1 1 75 75 ASP H H 75 7.493 7.493 8.372 -0.879 25761 3382 1 7 . 1 1 76 76 LEU N N 76 121.503 121.503 120.699 0.804 25761 3383 1 7 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.235 -0.249 25761 3384 1 7 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.571 -3.327 25761 3385 1 7 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.560 -5.322 25761 3386 1 7 . 1 1 76 76 LEU H H 76 7.651 7.651 7.318 0.333 25761 3387 1 7 . 1 1 77 77 ASP N N 77 120.554 120.554 119.378 1.176 25761 3388 1 7 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.269 0.022 25761 3389 1 7 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.330 -2.635 25761 3390 1 7 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.707 -3.513 25761 3391 1 7 . 1 1 77 77 ASP H H 77 8.117 8.117 7.835 0.282 25761 3392 1 7 . 1 1 78 78 ALA N N 78 121.953 121.953 121.953 0.000 25761 3393 1 7 . 1 1 78 78 ALA HA H 78 4.143 4.143 3.985 0.158 25761 3394 1 7 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.838 -2.468 25761 3395 1 7 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.271 -2.872 25761 3396 1 7 . 1 1 78 78 ALA H H 78 7.904 7.904 8.320 -0.416 25761 3397 1 7 . 1 1 79 79 TYR N N 79 119.746 119.746 119.753 -0.007 25761 3398 1 7 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.039 -0.150 25761 3399 1 7 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.902 -2.517 25761 3400 1 7 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.338 -2.527 25761 3401 1 7 . 1 1 79 79 TYR H H 79 7.422 7.422 8.401 -0.979 25761 3402 1 7 . 1 1 80 80 ALA N N 80 122.107 122.107 120.742 1.365 25761 3403 1 7 . 1 1 80 80 ALA HA H 80 3.770 3.770 3.974 -0.204 25761 3404 1 7 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.175 -2.645 25761 3405 1 7 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.072 -2.694 25761 3406 1 7 . 1 1 80 80 ALA H H 80 8.376 8.376 7.971 0.405 25761 3407 1 7 . 1 1 81 81 GLU N N 81 118.620 118.620 118.531 0.089 25761 3408 1 7 . 1 1 81 81 GLU HA H 81 3.844 3.844 3.963 -0.119 25761 3409 1 7 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.300 -2.587 25761 3410 1 7 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.567 -2.688 25761 3411 1 7 . 1 1 81 81 GLU H H 81 8.149 8.149 7.759 0.390 25761 3412 1 7 . 1 1 82 82 ARG N N 82 120.032 120.032 119.656 0.376 25761 3413 1 7 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.049 -0.301 25761 3414 1 7 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.786 -1.999 25761 3415 1 7 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.209 -5.056 25761 3416 1 7 . 1 1 82 82 ARG H H 82 7.535 7.535 7.930 -0.395 25761 3417 1 7 . 1 1 83 83 ALA N N 83 122.089 122.089 121.740 0.349 25761 3418 1 7 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.930 -0.222 25761 3419 1 7 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.726 -2.401 25761 3420 1 7 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.493 -2.824 25761 3421 1 7 . 1 1 83 83 ALA H H 83 8.467 8.467 8.201 0.266 25761 3422 1 7 . 1 1 84 84 ALA N N 84 118.529 118.529 117.105 1.424 25761 3423 1 7 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.587 -0.345 25761 3424 1 7 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.280 -2.291 25761 3425 1 7 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.273 -3.092 25761 3426 1 7 . 1 1 84 84 ALA H H 84 7.517 7.517 7.565 -0.048 25761 3427 1 7 . 1 1 85 85 ARG N N 85 117.478 117.478 117.100 0.378 25761 3428 1 7 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.377 -0.390 25761 3429 1 7 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.247 -1.556 25761 3430 1 7 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.966 -3.381 25761 3431 1 7 . 1 1 85 85 ARG H H 85 7.278 7.278 7.528 -0.250 25761 3432 1 7 . 1 1 86 86 ILE N N 86 118.079 118.079 118.238 -0.159 25761 3433 1 7 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.199 -0.452 25761 3434 1 7 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.768 -1.237 25761 3435 1 7 . 1 1 86 86 ILE CB C 86 36.213 36.213 40.479 -4.266 25761 3436 1 7 . 1 1 86 86 ILE H H 86 7.286 7.286 7.648 -0.362 25761 3437 1 7 . 1 1 87 87 ASP N N 87 117.833 117.833 122.768 -4.935 25761 3438 1 7 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.185 -0.205 25761 3439 1 7 . 1 1 87 87 ASP CA C 87 47.642 47.642 51.598 -3.956 25761 3440 1 7 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.497 -2.321 25761 3441 1 7 . 1 1 87 87 ASP H H 87 7.973 7.973 7.922 0.051 25761 3442 1 7 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.339 0.302 25761 3443 1 7 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.420 -3.871 25761 3444 1 7 . 1 1 88 88 PRO CB C 88 29.559 29.559 31.909 -2.350 25761 3445 1 7 . 1 1 89 89 ASP N N 89 120.189 120.189 116.036 4.153 25761 3446 1 7 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.624 0.062 25761 3447 1 7 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.141 -0.768 25761 3448 1 7 . 1 1 89 89 ASP H H 89 7.960 7.960 8.673 -0.713 25761 3449 1 7 . 1 1 90 90 ILE N N 90 120.372 120.372 121.399 -1.027 25761 3450 1 7 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.179 0.376 25761 3451 1 7 . 1 1 90 90 ILE CA C 90 60.022 60.022 62.281 -2.259 25761 3452 1 7 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.142 -0.945 25761 3453 1 7 . 1 1 90 90 ILE H H 90 7.234 7.234 7.298 -0.064 25761 3454 1 7 . 1 1 91 91 TRP N N 91 122.596 122.596 126.107 -3.511 25761 3455 1 7 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.128 -0.239 25761 3456 1 7 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.067 -3.400 25761 3457 1 7 . 1 1 91 91 TRP CB C 91 28.630 28.630 32.663 -4.033 25761 3458 1 7 . 1 1 91 91 TRP H H 91 9.295 9.295 8.729 0.566 25761 3459 1 7 . 1 1 92 92 VAL N N 92 118.958 118.958 120.028 -1.070 25761 3460 1 7 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.672 0.476 25761 3461 1 7 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.718 -2.321 25761 3462 1 7 . 1 1 92 92 VAL CB C 92 31.825 31.825 34.658 -2.833 25761 3463 1 7 . 1 1 92 92 VAL H H 92 9.040 9.040 8.405 0.635 25761 3464 1 7 . 1 1 93 93 VAL N N 93 129.129 129.129 127.435 1.694 25761 3465 1 7 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.911 -0.142 25761 3466 1 7 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.774 -3.459 25761 3467 1 7 . 1 1 93 93 VAL CB C 93 32.548 32.548 34.462 -1.915 25761 3468 1 7 . 1 1 93 93 VAL H H 93 9.201 9.201 9.231 -0.030 25761 3469 1 7 . 1 1 94 94 GLU N N 94 126.192 126.192 127.726 -1.534 25761 3470 1 7 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.100 0.312 25761 3471 1 7 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.646 -2.882 25761 3472 1 7 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.610 -2.026 25761 3473 1 7 . 1 1 94 94 GLU H H 94 9.161 9.161 9.066 0.095 25761 3474 1 7 . 1 1 95 95 ILE N N 95 125.285 125.285 126.468 -1.183 25761 3475 1 7 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.500 0.271 25761 3476 1 7 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.665 -1.346 25761 3477 1 7 . 1 1 95 95 ILE CB C 95 38.475 38.475 37.965 0.510 25761 3478 1 7 . 1 1 95 95 ILE H H 95 9.347 9.347 8.992 0.354 25761 3479 1 7 . 1 1 96 96 GLU N N 96 128.539 128.539 128.720 -0.181 25761 3480 1 7 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.960 0.195 25761 3481 1 7 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.499 -2.948 25761 3482 1 7 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.102 -2.041 25761 3483 1 7 . 1 1 96 96 GLU H H 96 9.390 9.390 8.908 0.482 25761 3484 1 7 . 1 1 97 97 ASP N N 97 123.516 123.516 124.732 -1.216 25761 3485 1 7 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.004 0.315 25761 3486 1 7 . 1 1 97 97 ASP CA C 97 50.769 50.769 51.760 -0.991 25761 3487 1 7 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.395 2.442 25761 3488 1 7 . 1 1 97 97 ASP H H 97 8.582 8.582 8.078 0.504 25761 3489 1 7 . 1 1 98 98 ARG N N 98 127.597 127.597 121.886 5.711 25761 3490 1 7 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.058 0.013 25761 3491 1 7 . 1 1 98 98 ARG CA C 98 56.486 56.486 60.331 -3.845 25761 3492 1 7 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.673 -3.103 25761 3493 1 7 . 1 1 98 98 ARG H H 98 8.914 8.914 8.862 0.052 25761 3494 1 7 . 1 1 99 99 ASP N N 99 115.196 115.196 115.408 -0.212 25761 3495 1 7 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.715 0.263 25761 3496 1 7 . 1 1 99 99 ASP CA C 99 51.008 51.008 52.624 -1.616 25761 3497 1 7 . 1 1 99 99 ASP CB C 99 39.782 39.782 41.012 -1.230 25761 3498 1 7 . 1 1 99 99 ASP H H 99 7.379 7.379 8.231 -0.852 25761 3499 1 7 . 1 1 100 100 GLY N N 100 106.976 106.976 107.779 -0.803 25761 3500 1 7 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.730 -1.097 25761 3501 1 7 . 1 1 100 100 GLY H H 100 7.481 7.481 7.627 -0.146 25761 3502 1 7 . 1 1 101 101 ARG N N 101 120.072 120.072 119.172 0.900 25761 3503 1 7 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.786 -0.344 25761 3504 1 7 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.258 -2.071 25761 3505 1 7 . 1 1 101 101 ARG CB C 101 27.859 27.859 30.436 -2.577 25761 3506 1 7 . 1 1 101 101 ARG H H 101 8.798 8.798 7.737 1.061 25761 3507 1 7 . 1 1 102 102 HIS N N 102 112.990 112.990 116.772 -3.782 25761 3508 1 7 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.502 -0.149 25761 3509 1 7 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.063 -3.380 25761 3510 1 7 . 1 1 102 102 HIS CB C 102 29.524 29.524 29.837 -0.313 25761 3511 1 7 . 1 1 102 102 HIS H H 102 5.928 5.928 7.372 -1.444 25761 3512 1 7 . 1 1 103 103 PHE N N 103 106.623 106.623 118.412 -11.789 25761 3513 1 7 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.137 -0.744 25761 3514 1 7 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.653 -0.778 25761 3515 1 7 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.693 -3.342 25761 3516 1 7 . 1 1 103 103 PHE H H 103 6.660 6.660 7.419 -0.759 25761 3517 1 7 . 1 1 104 104 LEU N N 104 123.743 123.743 120.034 3.709 25761 3518 1 7 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.538 -0.290 25761 3519 1 7 . 1 1 104 104 LEU CA C 104 52.850 52.850 53.768 -0.918 25761 3520 1 7 . 1 1 104 104 LEU CB C 104 38.257 38.257 43.028 -4.771 25761 3521 1 7 . 1 1 104 104 LEU H H 104 10.737 10.737 7.765 2.972 25761 3522 1 7 . 1 1 105 105 THR N N 105 113.822 113.822 117.244 -3.422 25761 3523 1 7 . 1 1 105 105 THR HA H 105 4.313 4.313 4.325 -0.012 25761 3524 1 7 . 1 1 105 105 THR CA C 105 59.658 59.658 63.236 -3.578 25761 3525 1 7 . 1 1 105 105 THR CB C 105 66.210 66.210 69.187 -2.977 25761 3526 1 7 . 1 1 105 105 THR H H 105 9.213 9.213 8.310 0.903 25761 3527 1 7 . 1 1 106 106 GLU N N 106 123.871 123.871 120.209 3.662 25761 3528 1 7 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.741 -0.128 25761 3529 1 7 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.224 -6.089 25761 3530 1 7 . 1 1 106 106 GLU H H 106 7.734 7.734 7.701 0.033 25761 3531 1 7 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.504 -0.240 25761 3532 1 7 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.816 -1.352 25761 3533 1 7 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.544 -2.740 25761 3534 1 7 . 1 1 108 108 VAL N N 108 120.628 120.628 119.419 1.209 25761 3535 1 7 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.141 -3.333 25761 3536 1 7 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.660 -2.470 25761 3537 1 7 . 1 1 108 108 VAL H H 108 8.137 8.137 8.119 0.018 25761 3538 1 7 . 1 1 109 109 GLU N N 109 128.850 128.850 127.096 1.754 25761 3539 1 7 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.602 -0.163 25761 3540 1 7 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.777 -1.869 25761 3541 1 7 . 1 1 109 109 GLU CB C 109 28.447 28.447 30.974 -2.527 25761 3542 1 7 . 1 1 109 109 GLU H H 109 9.095 9.095 8.537 0.558 25761 3543 1 8 . 1 1 2 2 MET HA H 2 4.380 4.380 4.703 -0.323 25761 3544 1 8 . 1 1 2 2 MET CA C 2 52.819 52.819 55.908 -3.090 25761 3545 1 8 . 1 1 2 2 MET CB C 2 30.830 30.830 33.882 -3.052 25761 3546 1 8 . 1 1 3 3 LEU N N 3 123.960 123.960 125.411 -1.451 25761 3547 1 8 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.622 -0.332 25761 3548 1 8 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.793 -2.123 25761 3549 1 8 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.802 -1.874 25761 3550 1 8 . 1 1 3 3 LEU H H 3 8.399 8.399 8.592 -0.193 25761 3551 1 8 . 1 1 4 4 LEU N N 4 123.372 123.372 122.899 0.473 25761 3552 1 8 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.554 -0.097 25761 3553 1 8 . 1 1 4 4 LEU CA C 4 51.647 51.647 53.666 -2.019 25761 3554 1 8 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.632 -1.630 25761 3555 1 8 . 1 1 4 4 LEU H H 4 8.134 8.134 8.220 -0.086 25761 3556 1 8 . 1 1 5 5 SER N N 5 117.439 117.439 112.256 5.183 25761 3557 1 8 . 1 1 5 5 SER HA H 5 4.628 4.628 4.462 0.166 25761 3558 1 8 . 1 1 5 5 SER CA C 5 56.192 56.192 56.465 -0.273 25761 3559 1 8 . 1 1 5 5 SER CB C 5 61.291 61.291 65.281 -3.990 25761 3560 1 8 . 1 1 5 5 SER H H 5 8.075 8.075 7.439 0.636 25761 3561 1 8 . 1 1 6 6 THR N N 6 121.297 121.297 119.182 2.115 25761 3562 1 8 . 1 1 6 6 THR HA H 6 3.713 3.713 4.093 -0.380 25761 3563 1 8 . 1 1 6 6 THR CA C 6 64.981 64.981 67.094 -2.113 25761 3564 1 8 . 1 1 6 6 THR CB C 6 65.860 65.860 68.561 -2.701 25761 3565 1 8 . 1 1 6 6 THR H H 6 7.681 7.681 8.463 -0.782 25761 3566 1 8 . 1 1 7 7 ASP N N 7 119.550 119.550 120.026 -0.476 25761 3567 1 8 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.801 -0.059 25761 3568 1 8 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.978 -1.981 25761 3569 1 8 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.776 -3.984 25761 3570 1 8 . 1 1 7 7 ASP H H 7 9.044 9.044 7.657 1.387 25761 3571 1 8 . 1 1 8 8 ILE N N 8 123.495 123.495 119.592 3.903 25761 3572 1 8 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.675 0.046 25761 3573 1 8 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.469 -2.494 25761 3574 1 8 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.566 -1.439 25761 3575 1 8 . 1 1 8 8 ILE H H 8 7.749 7.749 7.074 0.675 25761 3576 1 8 . 1 1 9 9 TRP N N 9 124.446 124.446 119.725 4.721 25761 3577 1 8 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.368 -0.524 25761 3578 1 8 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.680 -0.544 25761 3579 1 8 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.519 -1.544 25761 3580 1 8 . 1 1 9 9 TRP H H 9 8.232 8.232 7.233 0.999 25761 3581 1 8 . 1 1 10 10 VAL N N 10 121.207 121.207 120.213 0.994 25761 3582 1 8 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.524 -0.359 25761 3583 1 8 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.750 -2.515 25761 3584 1 8 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.205 -2.189 25761 3585 1 8 . 1 1 10 10 VAL H H 10 9.240 9.240 7.944 1.296 25761 3586 1 8 . 1 1 11 11 ALA N N 11 120.679 120.679 122.201 -1.522 25761 3587 1 8 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.872 -0.023 25761 3588 1 8 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.286 -2.807 25761 3589 1 8 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.024 -2.879 25761 3590 1 8 . 1 1 11 11 ALA H H 11 7.718 7.718 8.014 -0.296 25761 3591 1 8 . 1 1 12 12 ALA N N 12 120.217 120.217 121.481 -1.264 25761 3592 1 8 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.036 -0.131 25761 3593 1 8 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.941 -2.945 25761 3594 1 8 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.369 -3.430 25761 3595 1 8 . 1 1 12 12 ALA H H 12 7.642 7.642 7.911 -0.269 25761 3596 1 8 . 1 1 13 13 LEU N N 13 122.821 122.821 120.629 2.192 25761 3597 1 8 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.066 -0.521 25761 3598 1 8 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.878 -2.337 25761 3599 1 8 . 1 1 13 13 LEU CB C 13 38.449 38.449 42.002 -3.553 25761 3600 1 8 . 1 1 13 13 LEU H H 13 7.320 7.320 8.163 -0.843 25761 3601 1 8 . 1 1 14 14 ILE N N 14 117.258 117.258 119.112 -1.854 25761 3602 1 8 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.588 -0.536 25761 3603 1 8 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.349 -2.144 25761 3604 1 8 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.436 -1.659 25761 3605 1 8 . 1 1 14 14 ILE H H 14 8.105 8.105 8.201 -0.096 25761 3606 1 8 . 1 1 15 15 ARG N N 15 117.921 117.921 120.306 -2.385 25761 3607 1 8 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.843 0.117 25761 3608 1 8 . 1 1 15 15 ARG CA C 15 56.068 56.068 60.072 -4.004 25761 3609 1 8 . 1 1 15 15 ARG CB C 15 27.302 27.302 30.020 -2.718 25761 3610 1 8 . 1 1 15 15 ARG H H 15 7.574 7.574 7.874 -0.300 25761 3611 1 8 . 1 1 16 16 ARG N N 16 118.635 118.635 119.099 -0.464 25761 3612 1 8 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.844 -0.143 25761 3613 1 8 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.030 -1.376 25761 3614 1 8 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.931 -1.800 25761 3615 1 8 . 1 1 16 16 ARG H H 16 7.832 7.832 8.251 -0.419 25761 3616 1 8 . 1 1 17 17 ALA N N 17 122.335 122.335 121.538 0.797 25761 3617 1 8 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.793 0.259 25761 3618 1 8 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.358 8.002 25761 3619 1 8 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.871 -2.318 25761 3620 1 8 . 1 1 17 17 ALA H H 17 7.856 7.856 7.881 -0.025 25761 3621 1 8 . 1 1 18 18 GLU N N 18 118.223 118.223 119.795 -1.572 25761 3622 1 8 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.227 -0.236 25761 3623 1 8 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.752 -2.263 25761 3624 1 8 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.514 -2.728 25761 3625 1 8 . 1 1 18 18 GLU H H 18 8.303 8.303 8.168 0.135 25761 3626 1 8 . 1 1 19 19 LEU N N 19 122.454 122.454 119.985 2.469 25761 3627 1 8 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.080 -0.076 25761 3628 1 8 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.310 -2.454 25761 3629 1 8 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.458 -2.342 25761 3630 1 8 . 1 1 19 19 LEU H H 19 8.402 8.402 8.301 0.101 25761 3631 1 8 . 1 1 20 20 GLY N N 20 105.446 105.446 104.007 1.439 25761 3632 1 8 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.689 -1.946 25761 3633 1 8 . 1 1 20 20 GLY H H 20 7.468 7.468 7.417 0.051 25761 3634 1 8 . 1 1 21 21 GLY N N 21 107.714 107.714 107.950 -0.236 25761 3635 1 8 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.954 -2.327 25761 3636 1 8 . 1 1 21 21 GLY H H 21 7.754 7.754 7.731 0.023 25761 3637 1 8 . 1 1 22 22 ALA N N 22 123.725 123.725 123.023 0.702 25761 3638 1 8 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.341 0.323 25761 3639 1 8 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.897 -3.659 25761 3640 1 8 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.552 -1.269 25761 3641 1 8 . 1 1 22 22 ALA H H 22 8.012 8.012 7.515 0.497 25761 3642 1 8 . 1 1 23 23 PHE N N 23 117.564 117.564 121.383 -3.819 25761 3643 1 8 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.739 0.100 25761 3644 1 8 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.562 -3.800 25761 3645 1 8 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.248 -2.592 25761 3646 1 8 . 1 1 23 23 PHE H H 23 8.128 8.128 8.381 -0.253 25761 3647 1 8 . 1 1 24 24 ALA N N 24 128.638 128.638 128.033 0.605 25761 3648 1 8 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.204 0.248 25761 3649 1 8 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.062 -3.551 25761 3650 1 8 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.528 -1.150 25761 3651 1 8 . 1 1 24 24 ALA H H 24 8.542 8.542 8.046 0.496 25761 3652 1 8 . 1 1 25 25 THR N N 25 115.207 115.207 113.685 1.522 25761 3653 1 8 . 1 1 25 25 THR HA H 25 4.394 4.394 4.513 -0.119 25761 3654 1 8 . 1 1 25 25 THR CA C 25 57.830 57.830 60.996 -3.166 25761 3655 1 8 . 1 1 25 25 THR CB C 25 69.095 69.095 71.120 -2.025 25761 3656 1 8 . 1 1 25 25 THR H H 25 9.003 9.003 8.602 0.401 25761 3657 1 8 . 1 1 26 26 VAL N N 26 125.712 125.712 123.534 2.178 25761 3658 1 8 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.612 -0.430 25761 3659 1 8 . 1 1 26 26 VAL CA C 26 60.486 60.486 62.575 -2.089 25761 3660 1 8 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.102 -3.554 25761 3661 1 8 . 1 1 26 26 VAL H H 26 8.739 8.739 8.544 0.195 25761 3662 1 8 . 1 1 27 27 ALA N N 27 134.206 134.206 131.116 3.090 25761 3663 1 8 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.383 -0.138 25761 3664 1 8 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.347 -1.605 25761 3665 1 8 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.358 -2.828 25761 3666 1 8 . 1 1 27 27 ALA H H 27 8.412 8.412 9.155 -0.743 25761 3667 1 8 . 1 1 28 28 ARG N N 28 117.751 117.751 118.198 -0.447 25761 3668 1 8 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.540 -0.332 25761 3669 1 8 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.110 -1.452 25761 3670 1 8 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.764 -2.764 25761 3671 1 8 . 1 1 28 28 ARG H H 28 8.090 8.090 7.536 0.554 25761 3672 1 8 . 1 1 29 29 LYS N N 29 128.417 128.417 120.628 7.789 25761 3673 1 8 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.659 -0.550 25761 3674 1 8 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.908 -2.116 25761 3675 1 8 . 1 1 29 29 LYS CB C 29 30.289 30.289 34.055 -3.766 25761 3676 1 8 . 1 1 29 29 LYS H H 29 8.536 8.536 8.306 0.230 25761 3677 1 8 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.292 -2.434 25761 3678 1 8 . 1 1 31 31 ASP N N 31 120.477 120.477 120.764 -0.287 25761 3679 1 8 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.635 -0.131 25761 3680 1 8 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.870 -2.233 25761 3681 1 8 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.894 -1.544 25761 3682 1 8 . 1 1 31 31 ASP H H 31 8.445 8.445 8.151 0.294 25761 3683 1 8 . 1 1 32 32 ALA N N 32 133.865 133.865 129.950 3.915 25761 3684 1 8 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.421 -0.052 25761 3685 1 8 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.450 -2.163 25761 3686 1 8 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.222 -2.167 25761 3687 1 8 . 1 1 32 32 ALA H H 32 9.236 9.236 8.946 0.290 25761 3688 1 8 . 1 1 33 33 ARG N N 33 113.991 113.991 117.634 -3.643 25761 3689 1 8 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.312 0.102 25761 3690 1 8 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.069 -2.284 25761 3691 1 8 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.015 -2.832 25761 3692 1 8 . 1 1 33 33 ARG H H 33 7.913 7.913 8.591 -0.678 25761 3693 1 8 . 1 1 34 34 ALA N N 34 120.593 120.593 119.676 0.917 25761 3694 1 8 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.542 0.132 25761 3695 1 8 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.114 -2.578 25761 3696 1 8 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.552 -1.738 25761 3697 1 8 . 1 1 34 34 ALA H H 34 8.306 8.306 7.805 0.501 25761 3698 1 8 . 1 1 35 35 GLY N N 35 107.349 107.349 108.797 -1.448 25761 3699 1 8 . 1 1 35 35 GLY CA C 35 44.450 44.450 45.301 -0.851 25761 3700 1 8 . 1 1 35 35 GLY H H 35 7.715 7.715 7.914 -0.199 25761 3701 1 8 . 1 1 36 36 ALA N N 36 127.073 127.073 125.536 1.537 25761 3702 1 8 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.647 -0.289 25761 3703 1 8 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.959 -2.818 25761 3704 1 8 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.131 -3.164 25761 3705 1 8 . 1 1 36 36 ALA H H 36 8.935 8.935 8.254 0.681 25761 3706 1 8 . 1 1 37 37 VAL N N 37 116.903 116.903 119.520 -2.617 25761 3707 1 8 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.989 -0.240 25761 3708 1 8 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.139 -1.557 25761 3709 1 8 . 1 1 37 37 VAL H H 37 7.830 7.830 8.316 -0.486 25761 3710 1 8 . 1 1 38 38 LEU N N 38 126.366 126.366 127.011 -0.645 25761 3711 1 8 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.309 0.222 25761 3712 1 8 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.398 -2.523 25761 3713 1 8 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.466 -2.496 25761 3714 1 8 . 1 1 38 38 LEU H H 38 8.926 8.926 9.191 -0.265 25761 3715 1 8 . 1 1 39 39 VAL N N 39 121.843 121.843 122.532 -0.689 25761 3716 1 8 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.538 0.341 25761 3717 1 8 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.148 -2.805 25761 3718 1 8 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.617 -0.425 25761 3719 1 8 . 1 1 39 39 VAL H H 39 8.819 8.819 9.096 -0.277 25761 3720 1 8 . 1 1 40 40 LYS N N 40 129.592 129.592 128.916 0.676 25761 3721 1 8 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.504 0.775 25761 3722 1 8 . 1 1 40 40 LYS CA C 40 47.991 47.991 56.071 -8.080 25761 3723 1 8 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.292 -2.610 25761 3724 1 8 . 1 1 40 40 LYS H H 40 9.438 9.438 8.879 0.559 25761 3725 1 8 . 1 1 41 41 ALA N N 41 131.659 131.659 127.988 3.671 25761 3726 1 8 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.441 -0.192 25761 3727 1 8 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.774 1.042 25761 3728 1 8 . 1 1 41 41 ALA CB C 41 17.645 17.645 23.032 -5.386 25761 3729 1 8 . 1 1 41 41 ALA H H 41 9.349 9.349 8.645 0.704 25761 3730 1 8 . 1 1 42 42 VAL N N 42 127.668 127.668 122.751 4.917 25761 3731 1 8 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.471 -0.202 25761 3732 1 8 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.940 -2.319 25761 3733 1 8 . 1 1 42 42 VAL CB C 42 31.878 31.878 35.630 -3.752 25761 3734 1 8 . 1 1 42 42 VAL H H 42 9.517 9.517 8.915 0.602 25761 3735 1 8 . 1 1 43 43 ASP N N 43 127.524 127.524 129.150 -1.626 25761 3736 1 8 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.186 -0.300 25761 3737 1 8 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.881 -4.251 25761 3738 1 8 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.197 -1.670 25761 3739 1 8 . 1 1 43 43 ASP H H 43 8.821 8.821 8.980 -0.159 25761 3740 1 8 . 1 1 44 44 ARG N N 44 123.676 123.676 124.586 -0.910 25761 3741 1 8 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.084 0.011 25761 3742 1 8 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.654 -2.983 25761 3743 1 8 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.815 -1.721 25761 3744 1 8 . 1 1 44 44 ARG H H 44 8.435 8.435 8.660 -0.225 25761 3745 1 8 . 1 1 45 45 ARG N N 45 120.486 120.486 119.146 1.340 25761 3746 1 8 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.294 -0.163 25761 3747 1 8 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.216 -1.609 25761 3748 1 8 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.461 -2.397 25761 3749 1 8 . 1 1 45 45 ARG H H 45 8.551 8.551 7.755 0.796 25761 3750 1 8 . 1 1 46 46 GLU N N 46 116.189 116.189 117.189 -1.000 25761 3751 1 8 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.374 -0.121 25761 3752 1 8 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.384 -2.946 25761 3753 1 8 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.460 -1.845 25761 3754 1 8 . 1 1 46 46 GLU H H 46 7.918 7.918 8.285 -0.367 25761 3755 1 8 . 1 1 47 47 GLY N N 47 108.218 108.218 108.631 -0.413 25761 3756 1 8 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.638 -1.668 25761 3757 1 8 . 1 1 47 47 GLY H H 47 8.159 8.159 8.371 -0.212 25761 3758 1 8 . 1 1 48 48 THR N N 48 109.683 109.683 113.052 -3.369 25761 3759 1 8 . 1 1 48 48 THR HA H 48 4.639 4.639 4.117 0.522 25761 3760 1 8 . 1 1 48 48 THR CA C 48 57.215 57.215 62.656 -5.441 25761 3761 1 8 . 1 1 48 48 THR CB C 48 69.275 69.275 69.143 0.132 25761 3762 1 8 . 1 1 48 48 THR H H 48 7.485 7.485 7.458 0.027 25761 3763 1 8 . 1 1 49 49 ALA N N 49 122.571 122.571 126.889 -4.318 25761 3764 1 8 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.827 0.329 25761 3765 1 8 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.121 -3.110 25761 3766 1 8 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.424 -1.420 25761 3767 1 8 . 1 1 49 49 ALA H H 49 8.530 8.530 8.597 -0.067 25761 3768 1 8 . 1 1 50 50 ARG N N 50 115.654 115.654 118.894 -3.240 25761 3769 1 8 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.689 -0.049 25761 3770 1 8 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.415 -1.909 25761 3771 1 8 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.962 -1.130 25761 3772 1 8 . 1 1 50 50 ARG H H 50 8.168 8.168 8.784 -0.616 25761 3773 1 8 . 1 1 51 51 LEU N N 51 122.400 122.400 120.598 1.802 25761 3774 1 8 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.448 0.826 25761 3775 1 8 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.968 -3.592 25761 3776 1 8 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.651 -1.492 25761 3777 1 8 . 1 1 51 51 LEU H H 51 8.213 8.213 8.265 -0.052 25761 3778 1 8 . 1 1 52 52 PHE N N 52 124.579 124.579 121.257 3.322 25761 3779 1 8 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.507 0.043 25761 3780 1 8 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.078 -2.404 25761 3781 1 8 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.944 -2.325 25761 3782 1 8 . 1 1 52 52 PHE H H 52 9.546 9.546 8.711 0.835 25761 3783 1 8 . 1 1 53 53 SER N N 53 115.953 115.953 116.157 -0.204 25761 3784 1 8 . 1 1 53 53 SER HA H 53 5.267 5.267 5.455 -0.188 25761 3785 1 8 . 1 1 53 53 SER CA C 53 53.513 53.513 55.833 -2.320 25761 3786 1 8 . 1 1 53 53 SER CB C 53 64.255 64.255 66.099 -1.844 25761 3787 1 8 . 1 1 53 53 SER H H 53 9.727 9.727 9.079 0.648 25761 3788 1 8 . 1 1 54 54 GLU N N 54 124.987 124.987 124.948 0.039 25761 3789 1 8 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.719 -1.111 25761 3790 1 8 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.273 -1.956 25761 3791 1 8 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.445 2.232 25761 3792 1 8 . 1 1 54 54 GLU H H 54 8.431 8.431 8.064 0.367 25761 3793 1 8 . 1 1 55 55 ALA N N 55 127.789 127.789 122.980 4.809 25761 3794 1 8 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.451 -0.191 25761 3795 1 8 . 1 1 55 55 ALA CA C 55 48.005 48.005 50.866 -2.861 25761 3796 1 8 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.868 -2.186 25761 3797 1 8 . 1 1 55 55 ALA H H 55 8.430 8.430 7.733 0.697 25761 3798 1 8 . 1 1 56 56 THR N N 56 111.341 111.341 112.820 -1.479 25761 3799 1 8 . 1 1 56 56 THR HA H 56 5.038 5.038 5.294 -0.256 25761 3800 1 8 . 1 1 56 56 THR CA C 56 58.078 58.078 60.331 -2.253 25761 3801 1 8 . 1 1 56 56 THR CB C 56 68.505 68.505 71.093 -2.588 25761 3802 1 8 . 1 1 56 56 THR H H 56 7.923 7.923 8.127 -0.204 25761 3803 1 8 . 1 1 57 57 ARG N N 57 124.295 124.295 124.250 0.045 25761 3804 1 8 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.422 0.165 25761 3805 1 8 . 1 1 57 57 ARG CA C 57 52.325 52.325 56.105 -3.780 25761 3806 1 8 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.717 -1.050 25761 3807 1 8 . 1 1 57 57 ARG H H 57 9.054 9.054 9.043 0.011 25761 3808 1 8 . 1 1 58 58 GLY N N 58 109.220 109.220 107.274 1.946 25761 3809 1 8 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.965 -1.369 25761 3810 1 8 . 1 1 58 58 GLY H H 58 8.706 8.706 8.676 0.030 25761 3811 1 8 . 1 1 59 59 ASP N N 59 120.555 120.555 119.291 1.264 25761 3812 1 8 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.713 -0.127 25761 3813 1 8 . 1 1 59 59 ASP CA C 59 50.369 50.369 52.723 -2.354 25761 3814 1 8 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.133 -3.736 25761 3815 1 8 . 1 1 59 59 ASP H H 59 8.194 8.194 7.467 0.727 25761 3816 1 8 . 1 1 60 60 GLY N N 60 107.833 107.833 108.455 -0.622 25761 3817 1 8 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.456 -2.543 25761 3818 1 8 . 1 1 60 60 GLY H H 60 7.999 7.999 7.910 0.089 25761 3819 1 8 . 1 1 61 61 GLU N N 61 121.205 121.205 120.192 1.013 25761 3820 1 8 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.135 0.051 25761 3821 1 8 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.017 -2.023 25761 3822 1 8 . 1 1 61 61 GLU CB C 61 27.931 27.931 29.982 -2.051 25761 3823 1 8 . 1 1 61 61 GLU H H 61 7.910 7.910 8.444 -0.534 25761 3824 1 8 . 1 1 62 62 ARG N N 62 125.261 125.261 127.426 -2.165 25761 3825 1 8 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.952 -0.140 25761 3826 1 8 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.809 -3.922 25761 3827 1 8 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.428 -2.510 25761 3828 1 8 . 1 1 62 62 ARG H H 62 8.219 8.219 8.458 -0.239 25761 3829 1 8 . 1 1 63 63 PHE N N 63 120.777 120.777 119.014 1.763 25761 3830 1 8 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.854 0.025 25761 3831 1 8 . 1 1 63 63 PHE CA C 63 52.800 52.800 54.727 -1.927 25761 3832 1 8 . 1 1 63 63 PHE CB C 63 39.163 39.163 41.603 -2.440 25761 3833 1 8 . 1 1 63 63 PHE H H 63 8.431 8.431 8.626 -0.195 25761 3834 1 8 . 1 1 64 64 TRP N N 64 119.550 119.550 121.693 -2.143 25761 3835 1 8 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.130 -0.104 25761 3836 1 8 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.586 -2.397 25761 3837 1 8 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.818 0.065 25761 3838 1 8 . 1 1 64 64 TRP H H 64 8.914 8.914 8.763 0.151 25761 3839 1 8 . 1 1 65 65 MET N N 65 118.324 118.324 121.241 -2.917 25761 3840 1 8 . 1 1 65 65 MET HA H 65 5.156 5.156 5.017 0.139 25761 3841 1 8 . 1 1 65 65 MET CA C 65 50.438 50.438 54.665 -4.227 25761 3842 1 8 . 1 1 65 65 MET CB C 65 32.296 32.296 34.452 -2.156 25761 3843 1 8 . 1 1 65 65 MET H H 65 9.282 9.282 8.868 0.413 25761 3844 1 8 . 1 1 66 66 GLN N N 66 119.469 119.469 118.895 0.574 25761 3845 1 8 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.805 0.709 25761 3846 1 8 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.283 -2.318 25761 3847 1 8 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.533 -0.033 25761 3848 1 8 . 1 1 66 66 GLN H H 66 8.785 8.785 8.859 -0.074 25761 3849 1 8 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.379 -0.258 25761 3850 1 8 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.458 -2.592 25761 3851 1 8 . 1 1 67 67 PRO CB C 67 30.037 30.037 31.880 -1.843 25761 3852 1 8 . 1 1 68 68 VAL N N 68 119.433 119.433 119.872 -0.439 25761 3853 1 8 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.262 -0.303 25761 3854 1 8 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.658 -2.824 25761 3855 1 8 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.725 -1.693 25761 3856 1 8 . 1 1 68 68 VAL H H 68 8.464 8.464 7.642 0.822 25761 3857 1 8 . 1 1 69 69 ARG N N 69 127.119 127.119 128.794 -1.675 25761 3858 1 8 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.302 0.034 25761 3859 1 8 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.918 -4.106 25761 3860 1 8 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.527 -2.604 25761 3861 1 8 . 1 1 69 69 ARG H H 69 8.519 8.519 8.825 -0.306 25761 3862 1 8 . 1 1 70 70 SER N N 70 115.574 115.574 114.718 0.856 25761 3863 1 8 . 1 1 70 70 SER HA H 70 4.598 4.598 4.631 -0.033 25761 3864 1 8 . 1 1 70 70 SER CA C 70 54.127 54.127 56.559 -2.432 25761 3865 1 8 . 1 1 70 70 SER CB C 70 62.189 62.189 64.310 -2.121 25761 3866 1 8 . 1 1 70 70 SER H H 70 7.955 7.955 7.839 0.116 25761 3867 1 8 . 1 1 71 71 THR N N 71 114.592 114.592 116.317 -1.725 25761 3868 1 8 . 1 1 71 71 THR HA H 71 5.244 5.244 4.555 0.689 25761 3869 1 8 . 1 1 71 71 THR CA C 71 58.147 58.147 61.216 -3.069 25761 3870 1 8 . 1 1 71 71 THR CB C 71 66.895 66.895 69.536 -2.641 25761 3871 1 8 . 1 1 71 71 THR H H 71 8.285 8.285 8.349 -0.064 25761 3872 1 8 . 1 1 72 72 PHE N N 72 125.101 125.101 122.774 2.327 25761 3873 1 8 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.425 0.516 25761 3874 1 8 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.270 -5.135 25761 3875 1 8 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.712 -2.781 25761 3876 1 8 . 1 1 72 72 PHE H H 72 8.649 8.649 7.530 1.119 25761 3877 1 8 . 1 1 73 73 GLU N N 73 129.014 129.014 125.544 3.470 25761 3878 1 8 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.079 -0.528 25761 3879 1 8 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.332 -1.917 25761 3880 1 8 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.741 5.151 25761 3881 1 8 . 1 1 73 73 GLU H H 73 9.018 9.018 9.058 -0.040 25761 3882 1 8 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.021 -1.924 25761 3883 1 8 . 1 1 75 75 ASP N N 75 116.246 116.246 119.813 -3.567 25761 3884 1 8 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.678 -0.228 25761 3885 1 8 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.621 -2.071 25761 3886 1 8 . 1 1 75 75 ASP CB C 75 37.741 37.741 41.505 -3.764 25761 3887 1 8 . 1 1 75 75 ASP H H 75 7.493 7.493 7.989 -0.496 25761 3888 1 8 . 1 1 76 76 LEU N N 76 121.503 121.503 120.449 1.054 25761 3889 1 8 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.151 -0.165 25761 3890 1 8 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.665 -3.421 25761 3891 1 8 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.231 -4.992 25761 3892 1 8 . 1 1 76 76 LEU H H 76 7.651 7.651 7.566 0.085 25761 3893 1 8 . 1 1 77 77 ASP N N 77 120.554 120.554 118.889 1.665 25761 3894 1 8 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.290 0.001 25761 3895 1 8 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.253 -2.558 25761 3896 1 8 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.912 -3.718 25761 3897 1 8 . 1 1 77 77 ASP H H 77 8.117 8.117 8.368 -0.251 25761 3898 1 8 . 1 1 78 78 ALA N N 78 121.953 121.953 121.501 0.452 25761 3899 1 8 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.077 0.066 25761 3900 1 8 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.661 -2.291 25761 3901 1 8 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.159 -2.760 25761 3902 1 8 . 1 1 78 78 ALA H H 78 7.904 7.904 7.849 0.055 25761 3903 1 8 . 1 1 79 79 TYR N N 79 119.746 119.746 120.132 -0.386 25761 3904 1 8 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.053 -0.164 25761 3905 1 8 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.344 -2.959 25761 3906 1 8 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.307 -2.496 25761 3907 1 8 . 1 1 79 79 TYR H H 79 7.422 7.422 8.116 -0.694 25761 3908 1 8 . 1 1 80 80 ALA N N 80 122.107 122.107 117.673 4.434 25761 3909 1 8 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.238 -0.468 25761 3910 1 8 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.209 -1.679 25761 3911 1 8 . 1 1 80 80 ALA CB C 80 15.378 15.378 17.754 -2.376 25761 3912 1 8 . 1 1 80 80 ALA H H 80 8.376 8.376 8.239 0.137 25761 3913 1 8 . 1 1 81 81 GLU N N 81 118.620 118.620 119.852 -1.232 25761 3914 1 8 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.077 -0.233 25761 3915 1 8 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.828 -2.115 25761 3916 1 8 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.736 -2.857 25761 3917 1 8 . 1 1 81 81 GLU H H 81 8.149 8.149 7.495 0.654 25761 3918 1 8 . 1 1 82 82 ARG N N 82 120.032 120.032 119.640 0.392 25761 3919 1 8 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.032 -0.284 25761 3920 1 8 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.851 -2.064 25761 3921 1 8 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.253 -5.101 25761 3922 1 8 . 1 1 82 82 ARG H H 82 7.535 7.535 8.205 -0.670 25761 3923 1 8 . 1 1 83 83 ALA N N 83 122.089 122.089 121.554 0.535 25761 3924 1 8 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.941 -0.233 25761 3925 1 8 . 1 1 83 83 ALA CA C 83 52.325 52.325 55.190 -2.865 25761 3926 1 8 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.233 -2.564 25761 3927 1 8 . 1 1 83 83 ALA H H 83 8.467 8.467 8.278 0.189 25761 3928 1 8 . 1 1 84 84 ALA N N 84 118.529 118.529 118.399 0.130 25761 3929 1 8 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.454 -0.212 25761 3930 1 8 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.718 -3.729 25761 3931 1 8 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.480 -3.299 25761 3932 1 8 . 1 1 84 84 ALA H H 84 7.517 7.517 8.217 -0.700 25761 3933 1 8 . 1 1 85 85 ARG N N 85 117.478 117.478 117.063 0.415 25761 3934 1 8 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.179 -0.192 25761 3935 1 8 . 1 1 85 85 ARG CA C 85 55.691 55.691 58.124 -2.433 25761 3936 1 8 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.684 -3.098 25761 3937 1 8 . 1 1 85 85 ARG H H 85 7.278 7.278 7.669 -0.391 25761 3938 1 8 . 1 1 86 86 ILE N N 86 118.079 118.079 117.451 0.628 25761 3939 1 8 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.176 -0.429 25761 3940 1 8 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.852 -1.321 25761 3941 1 8 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.361 -3.148 25761 3942 1 8 . 1 1 86 86 ILE H H 86 7.286 7.286 7.397 -0.111 25761 3943 1 8 . 1 1 87 87 ASP N N 87 117.833 117.833 120.634 -2.801 25761 3944 1 8 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.006 -0.026 25761 3945 1 8 . 1 1 87 87 ASP CA C 87 47.642 47.642 51.669 -4.027 25761 3946 1 8 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.270 -2.094 25761 3947 1 8 . 1 1 87 87 ASP H H 87 7.973 7.973 8.170 -0.197 25761 3948 1 8 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.346 0.295 25761 3949 1 8 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.160 -3.611 25761 3950 1 8 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.288 -2.729 25761 3951 1 8 . 1 1 89 89 ASP N N 89 120.189 120.189 117.724 2.465 25761 3952 1 8 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.694 -0.008 25761 3953 1 8 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.747 -1.374 25761 3954 1 8 . 1 1 89 89 ASP H H 89 7.960 7.960 8.304 -0.344 25761 3955 1 8 . 1 1 90 90 ILE N N 90 120.372 120.372 121.685 -1.313 25761 3956 1 8 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.292 0.263 25761 3957 1 8 . 1 1 90 90 ILE CA C 90 60.022 60.022 61.841 -1.819 25761 3958 1 8 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.285 -1.087 25761 3959 1 8 . 1 1 90 90 ILE H H 90 7.234 7.234 7.362 -0.128 25761 3960 1 8 . 1 1 91 91 TRP N N 91 122.596 122.596 127.746 -5.150 25761 3961 1 8 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.824 0.065 25761 3962 1 8 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.478 -3.811 25761 3963 1 8 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.222 -2.592 25761 3964 1 8 . 1 1 91 91 TRP H H 91 9.295 9.295 9.212 0.083 25761 3965 1 8 . 1 1 92 92 VAL N N 92 118.958 118.958 123.434 -4.476 25761 3966 1 8 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.482 0.666 25761 3967 1 8 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.729 -2.332 25761 3968 1 8 . 1 1 92 92 VAL CB C 92 31.825 31.825 32.686 -0.861 25761 3969 1 8 . 1 1 92 92 VAL H H 92 9.040 9.040 8.775 0.265 25761 3970 1 8 . 1 1 93 93 VAL N N 93 129.129 129.129 128.873 0.256 25761 3971 1 8 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.693 0.076 25761 3972 1 8 . 1 1 93 93 VAL CA C 93 57.315 57.315 62.016 -4.701 25761 3973 1 8 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.236 -0.688 25761 3974 1 8 . 1 1 93 93 VAL H H 93 9.201 9.201 9.219 -0.018 25761 3975 1 8 . 1 1 94 94 GLU N N 94 126.192 126.192 125.837 0.355 25761 3976 1 8 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.346 0.066 25761 3977 1 8 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.691 -2.927 25761 3978 1 8 . 1 1 94 94 GLU CB C 94 29.584 29.584 33.461 -3.877 25761 3979 1 8 . 1 1 94 94 GLU H H 94 9.161 9.161 9.009 0.152 25761 3980 1 8 . 1 1 95 95 ILE N N 95 125.285 125.285 123.729 1.556 25761 3981 1 8 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.737 0.034 25761 3982 1 8 . 1 1 95 95 ILE CA C 95 57.319 57.319 59.140 -1.821 25761 3983 1 8 . 1 1 95 95 ILE CB C 95 38.475 38.475 40.289 -1.814 25761 3984 1 8 . 1 1 95 95 ILE H H 95 9.347 9.347 8.492 0.855 25761 3985 1 8 . 1 1 96 96 GLU N N 96 128.539 128.539 126.719 1.820 25761 3986 1 8 . 1 1 96 96 GLU HA H 96 5.155 5.155 5.178 -0.023 25761 3987 1 8 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.251 -2.700 25761 3988 1 8 . 1 1 96 96 GLU CB C 96 29.061 29.061 32.396 -3.335 25761 3989 1 8 . 1 1 96 96 GLU H H 96 9.390 9.390 9.301 0.089 25761 3990 1 8 . 1 1 97 97 ASP N N 97 123.516 123.516 123.935 -0.419 25761 3991 1 8 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.975 0.344 25761 3992 1 8 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.242 -1.473 25761 3993 1 8 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.414 2.423 25761 3994 1 8 . 1 1 97 97 ASP H H 97 8.582 8.582 8.391 0.191 25761 3995 1 8 . 1 1 98 98 ARG N N 98 127.597 127.597 124.826 2.771 25761 3996 1 8 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.136 -0.065 25761 3997 1 8 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.986 -3.500 25761 3998 1 8 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.522 -2.952 25761 3999 1 8 . 1 1 98 98 ARG H H 98 8.914 8.914 8.837 0.077 25761 4000 1 8 . 1 1 99 99 ASP N N 99 115.196 115.196 115.831 -0.635 25761 4001 1 8 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.569 0.409 25761 4002 1 8 . 1 1 99 99 ASP CA C 99 51.008 51.008 54.788 -3.780 25761 4003 1 8 . 1 1 99 99 ASP CB C 99 39.782 39.782 41.970 -2.188 25761 4004 1 8 . 1 1 99 99 ASP H H 99 7.379 7.379 8.301 -0.922 25761 4005 1 8 . 1 1 100 100 GLY N N 100 106.976 106.976 107.799 -0.823 25761 4006 1 8 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.251 -0.618 25761 4007 1 8 . 1 1 100 100 GLY H H 100 7.481 7.481 7.640 -0.159 25761 4008 1 8 . 1 1 101 101 ARG N N 101 120.072 120.072 119.550 0.522 25761 4009 1 8 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.941 -0.499 25761 4010 1 8 . 1 1 101 101 ARG CA C 101 54.187 54.187 53.971 0.216 25761 4011 1 8 . 1 1 101 101 ARG CB C 101 27.859 27.859 32.231 -4.372 25761 4012 1 8 . 1 1 101 101 ARG H H 101 8.798 8.798 7.452 1.346 25761 4013 1 8 . 1 1 102 102 HIS N N 102 112.990 112.990 116.707 -3.717 25761 4014 1 8 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.721 -0.368 25761 4015 1 8 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.540 -3.857 25761 4016 1 8 . 1 1 102 102 HIS CB C 102 29.524 29.524 31.151 -1.627 25761 4017 1 8 . 1 1 102 102 HIS H H 102 5.928 5.928 7.993 -2.065 25761 4018 1 8 . 1 1 103 103 PHE N N 103 106.623 106.623 115.752 -9.129 25761 4019 1 8 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.060 -0.667 25761 4020 1 8 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.834 -0.959 25761 4021 1 8 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.779 -3.428 25761 4022 1 8 . 1 1 103 103 PHE H H 103 6.660 6.660 7.551 -0.891 25761 4023 1 8 . 1 1 104 104 LEU N N 104 123.743 123.743 117.767 5.976 25761 4024 1 8 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.284 -0.036 25761 4025 1 8 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.509 -2.659 25761 4026 1 8 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.199 -3.942 25761 4027 1 8 . 1 1 104 104 LEU H H 104 10.737 10.737 7.879 2.858 25761 4028 1 8 . 1 1 105 105 THR N N 105 113.822 113.822 113.601 0.221 25761 4029 1 8 . 1 1 105 105 THR HA H 105 4.313 4.313 4.562 -0.249 25761 4030 1 8 . 1 1 105 105 THR CA C 105 59.658 59.658 62.301 -2.643 25761 4031 1 8 . 1 1 105 105 THR CB C 105 66.210 66.210 69.614 -3.404 25761 4032 1 8 . 1 1 105 105 THR H H 105 9.213 9.213 8.332 0.881 25761 4033 1 8 . 1 1 106 106 GLU N N 106 123.871 123.871 121.214 2.657 25761 4034 1 8 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.744 -0.131 25761 4035 1 8 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.150 -6.015 25761 4036 1 8 . 1 1 106 106 GLU H H 106 7.734 7.734 8.056 -0.322 25761 4037 1 8 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.470 -0.206 25761 4038 1 8 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.239 -1.775 25761 4039 1 8 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.404 -2.601 25761 4040 1 8 . 1 1 108 108 VAL N N 108 120.628 120.628 121.228 -0.600 25761 4041 1 8 . 1 1 108 108 VAL CA C 108 57.808 57.808 59.746 -1.938 25761 4042 1 8 . 1 1 108 108 VAL CB C 108 32.190 32.190 35.686 -3.496 25761 4043 1 8 . 1 1 108 108 VAL H H 108 8.137 8.137 8.181 -0.043 25761 4044 1 8 . 1 1 109 109 GLU N N 109 128.850 128.850 126.133 2.717 25761 4045 1 8 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.814 -0.375 25761 4046 1 8 . 1 1 109 109 GLU CA C 109 53.908 53.908 54.894 -0.986 25761 4047 1 8 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.981 -3.534 25761 4048 1 8 . 1 1 109 109 GLU H H 109 9.095 9.095 9.126 -0.031 25761 4049 1 9 . 1 1 2 2 MET HA H 2 4.380 4.380 4.890 -0.510 25761 4050 1 9 . 1 1 2 2 MET CA C 2 52.819 52.819 55.212 -2.393 25761 4051 1 9 . 1 1 2 2 MET CB C 2 30.830 30.830 34.374 -3.544 25761 4052 1 9 . 1 1 3 3 LEU N N 3 123.960 123.960 124.031 -0.071 25761 4053 1 9 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.661 -0.371 25761 4054 1 9 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.742 -2.072 25761 4055 1 9 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.418 -2.490 25761 4056 1 9 . 1 1 3 3 LEU H H 3 8.399 8.399 8.685 -0.286 25761 4057 1 9 . 1 1 4 4 LEU N N 4 123.372 123.372 121.600 1.772 25761 4058 1 9 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.005 0.452 25761 4059 1 9 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.224 -3.576 25761 4060 1 9 . 1 1 4 4 LEU CB C 4 41.002 41.002 41.913 -0.911 25761 4061 1 9 . 1 1 4 4 LEU H H 4 8.134 8.134 8.140 -0.006 25761 4062 1 9 . 1 1 5 5 SER N N 5 117.439 117.439 117.330 0.109 25761 4063 1 9 . 1 1 5 5 SER HA H 5 4.628 4.628 4.295 0.333 25761 4064 1 9 . 1 1 5 5 SER CA C 5 56.192 56.192 57.025 -0.833 25761 4065 1 9 . 1 1 5 5 SER CB C 5 61.291 61.291 65.615 -4.324 25761 4066 1 9 . 1 1 5 5 SER H H 5 8.075 8.075 7.731 0.344 25761 4067 1 9 . 1 1 6 6 THR N N 6 121.297 121.297 118.547 2.750 25761 4068 1 9 . 1 1 6 6 THR HA H 6 3.713 3.713 3.970 -0.257 25761 4069 1 9 . 1 1 6 6 THR CA C 6 64.981 64.981 67.295 -2.314 25761 4070 1 9 . 1 1 6 6 THR CB C 6 65.860 65.860 68.656 -2.796 25761 4071 1 9 . 1 1 6 6 THR H H 6 7.681 7.681 8.510 -0.829 25761 4072 1 9 . 1 1 7 7 ASP N N 7 119.550 119.550 120.595 -1.045 25761 4073 1 9 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.604 0.138 25761 4074 1 9 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.035 -2.038 25761 4075 1 9 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.883 -4.090 25761 4076 1 9 . 1 1 7 7 ASP H H 7 9.044 9.044 7.635 1.409 25761 4077 1 9 . 1 1 8 8 ILE N N 8 123.495 123.495 119.561 3.934 25761 4078 1 9 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.673 0.048 25761 4079 1 9 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.421 -2.446 25761 4080 1 9 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.471 -1.343 25761 4081 1 9 . 1 1 8 8 ILE H H 8 7.749 7.749 7.256 0.493 25761 4082 1 9 . 1 1 9 9 TRP N N 9 124.446 124.446 119.493 4.953 25761 4083 1 9 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.356 -0.512 25761 4084 1 9 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.224 -0.088 25761 4085 1 9 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.268 -1.293 25761 4086 1 9 . 1 1 9 9 TRP H H 9 8.232 8.232 7.198 1.034 25761 4087 1 9 . 1 1 10 10 VAL N N 10 121.207 121.207 120.608 0.599 25761 4088 1 9 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.552 -0.387 25761 4089 1 9 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.830 -2.595 25761 4090 1 9 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.890 -1.874 25761 4091 1 9 . 1 1 10 10 VAL H H 10 9.240 9.240 7.641 1.599 25761 4092 1 9 . 1 1 11 11 ALA N N 11 120.679 120.679 121.413 -0.734 25761 4093 1 9 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.931 -0.082 25761 4094 1 9 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.431 -2.952 25761 4095 1 9 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.965 -2.820 25761 4096 1 9 . 1 1 11 11 ALA H H 11 7.718 7.718 8.264 -0.546 25761 4097 1 9 . 1 1 12 12 ALA N N 12 120.217 120.217 121.146 -0.929 25761 4098 1 9 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.142 -0.237 25761 4099 1 9 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.675 -2.679 25761 4100 1 9 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.474 -3.535 25761 4101 1 9 . 1 1 12 12 ALA H H 12 7.642 7.642 7.526 0.116 25761 4102 1 9 . 1 1 13 13 LEU N N 13 122.821 122.821 121.340 1.481 25761 4103 1 9 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.060 -0.515 25761 4104 1 9 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.926 -2.385 25761 4105 1 9 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.947 -3.498 25761 4106 1 9 . 1 1 13 13 LEU H H 13 7.320 7.320 8.183 -0.863 25761 4107 1 9 . 1 1 14 14 ILE N N 14 117.258 117.258 118.491 -1.233 25761 4108 1 9 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.593 -0.541 25761 4109 1 9 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.345 -2.140 25761 4110 1 9 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.486 -1.708 25761 4111 1 9 . 1 1 14 14 ILE H H 14 8.105 8.105 8.410 -0.305 25761 4112 1 9 . 1 1 15 15 ARG N N 15 117.921 117.921 119.699 -1.778 25761 4113 1 9 . 1 1 15 15 ARG HA H 15 3.960 3.960 4.173 -0.213 25761 4114 1 9 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.747 -3.679 25761 4115 1 9 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.936 -2.634 25761 4116 1 9 . 1 1 15 15 ARG H H 15 7.574 7.574 7.497 0.077 25761 4117 1 9 . 1 1 16 16 ARG N N 16 118.635 118.635 119.231 -0.596 25761 4118 1 9 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.012 -0.311 25761 4119 1 9 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.271 -1.617 25761 4120 1 9 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.963 -1.832 25761 4121 1 9 . 1 1 16 16 ARG H H 16 7.832 7.832 8.550 -0.718 25761 4122 1 9 . 1 1 17 17 ALA N N 17 122.335 122.335 121.738 0.597 25761 4123 1 9 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.888 0.164 25761 4124 1 9 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.411 7.949 25761 4125 1 9 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.045 -2.492 25761 4126 1 9 . 1 1 17 17 ALA H H 17 7.856 7.856 7.679 0.177 25761 4127 1 9 . 1 1 18 18 GLU N N 18 118.223 118.223 120.170 -1.947 25761 4128 1 9 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.119 -0.128 25761 4129 1 9 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.897 -2.408 25761 4130 1 9 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.556 -2.770 25761 4131 1 9 . 1 1 18 18 GLU H H 18 8.303 8.303 7.903 0.400 25761 4132 1 9 . 1 1 19 19 LEU N N 19 122.454 122.454 120.878 1.576 25761 4133 1 9 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.069 -0.065 25761 4134 1 9 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.531 -2.674 25761 4135 1 9 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.972 -2.857 25761 4136 1 9 . 1 1 19 19 LEU H H 19 8.402 8.402 8.356 0.046 25761 4137 1 9 . 1 1 20 20 GLY N N 20 105.446 105.446 104.653 0.793 25761 4138 1 9 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.957 -2.214 25761 4139 1 9 . 1 1 20 20 GLY H H 20 7.468 7.468 7.673 -0.205 25761 4140 1 9 . 1 1 21 21 GLY N N 21 107.714 107.714 108.291 -0.577 25761 4141 1 9 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.752 -2.125 25761 4142 1 9 . 1 1 21 21 GLY H H 21 7.754 7.754 7.620 0.134 25761 4143 1 9 . 1 1 22 22 ALA N N 22 123.725 123.725 120.319 3.406 25761 4144 1 9 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.833 -0.169 25761 4145 1 9 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.418 -2.180 25761 4146 1 9 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.918 -2.635 25761 4147 1 9 . 1 1 22 22 ALA H H 22 8.012 8.012 7.338 0.674 25761 4148 1 9 . 1 1 23 23 PHE N N 23 117.564 117.564 120.150 -2.586 25761 4149 1 9 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.547 0.292 25761 4150 1 9 . 1 1 23 23 PHE CA C 23 53.762 53.762 59.005 -5.243 25761 4151 1 9 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.499 -1.843 25761 4152 1 9 . 1 1 23 23 PHE H H 23 8.128 8.128 8.038 0.090 25761 4153 1 9 . 1 1 24 24 ALA N N 24 128.638 128.638 126.194 2.444 25761 4154 1 9 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.074 0.378 25761 4155 1 9 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.426 -3.915 25761 4156 1 9 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.566 -1.188 25761 4157 1 9 . 1 1 24 24 ALA H H 24 8.542 8.542 8.105 0.437 25761 4158 1 9 . 1 1 25 25 THR N N 25 115.207 115.207 113.895 1.312 25761 4159 1 9 . 1 1 25 25 THR HA H 25 4.394 4.394 4.418 -0.024 25761 4160 1 9 . 1 1 25 25 THR CA C 25 57.830 57.830 61.640 -3.810 25761 4161 1 9 . 1 1 25 25 THR CB C 25 69.095 69.095 70.485 -1.390 25761 4162 1 9 . 1 1 25 25 THR H H 25 9.003 9.003 8.413 0.590 25761 4163 1 9 . 1 1 26 26 VAL N N 26 125.712 125.712 123.579 2.133 25761 4164 1 9 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.784 -0.602 25761 4165 1 9 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.236 -0.750 25761 4166 1 9 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.954 -4.406 25761 4167 1 9 . 1 1 26 26 VAL H H 26 8.739 8.739 8.396 0.343 25761 4168 1 9 . 1 1 27 27 ALA N N 27 134.206 134.206 132.423 1.783 25761 4169 1 9 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.509 -0.264 25761 4170 1 9 . 1 1 27 27 ALA CA C 27 50.742 50.742 51.985 -1.243 25761 4171 1 9 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.611 -4.080 25761 4172 1 9 . 1 1 27 27 ALA H H 27 8.412 8.412 9.237 -0.825 25761 4173 1 9 . 1 1 28 28 ARG N N 28 117.751 117.751 118.621 -0.870 25761 4174 1 9 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.433 -0.225 25761 4175 1 9 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.422 -1.764 25761 4176 1 9 . 1 1 28 28 ARG CB C 28 31.000 31.000 34.127 -3.127 25761 4177 1 9 . 1 1 28 28 ARG H H 28 8.090 8.090 7.650 0.440 25761 4178 1 9 . 1 1 29 29 LYS N N 29 128.417 128.417 123.850 4.567 25761 4179 1 9 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.531 -0.422 25761 4180 1 9 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.958 -2.166 25761 4181 1 9 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.645 -3.356 25761 4182 1 9 . 1 1 29 29 LYS H H 29 8.536 8.536 8.264 0.272 25761 4183 1 9 . 1 1 30 30 GLY CA C 30 40.858 40.858 44.326 -3.468 25761 4184 1 9 . 1 1 31 31 ASP N N 31 120.477 120.477 122.385 -1.908 25761 4185 1 9 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.628 -0.124 25761 4186 1 9 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.606 -1.969 25761 4187 1 9 . 1 1 31 31 ASP CB C 31 40.350 40.350 39.684 0.666 25761 4188 1 9 . 1 1 31 31 ASP H H 31 8.445 8.445 8.884 -0.439 25761 4189 1 9 . 1 1 32 32 ALA N N 32 133.865 133.865 122.337 11.528 25761 4190 1 9 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.234 0.135 25761 4191 1 9 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.545 -1.258 25761 4192 1 9 . 1 1 32 32 ALA CB C 32 17.055 17.055 18.373 -1.318 25761 4193 1 9 . 1 1 32 32 ALA H H 32 9.236 9.236 8.837 0.399 25761 4194 1 9 . 1 1 33 33 ARG N N 33 113.991 113.991 116.063 -2.072 25761 4195 1 9 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.333 0.081 25761 4196 1 9 . 1 1 33 33 ARG CA C 33 55.785 55.785 56.895 -1.110 25761 4197 1 9 . 1 1 33 33 ARG CB C 33 28.183 28.183 32.453 -4.270 25761 4198 1 9 . 1 1 33 33 ARG H H 33 7.913 7.913 8.360 -0.447 25761 4199 1 9 . 1 1 34 34 ALA N N 34 120.593 120.593 123.528 -2.935 25761 4200 1 9 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.611 0.063 25761 4201 1 9 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.145 -2.609 25761 4202 1 9 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.124 -1.310 25761 4203 1 9 . 1 1 34 34 ALA H H 34 8.306 8.306 7.711 0.595 25761 4204 1 9 . 1 1 35 35 GLY N N 35 107.349 107.349 107.721 -0.372 25761 4205 1 9 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.055 0.395 25761 4206 1 9 . 1 1 35 35 GLY H H 35 7.715 7.715 7.617 0.098 25761 4207 1 9 . 1 1 36 36 ALA N N 36 127.073 127.073 127.469 -0.396 25761 4208 1 9 . 1 1 36 36 ALA HA H 36 4.358 4.358 5.194 -0.836 25761 4209 1 9 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.009 -1.868 25761 4210 1 9 . 1 1 36 36 ALA CB C 36 16.967 16.967 21.001 -4.034 25761 4211 1 9 . 1 1 36 36 ALA H H 36 8.935 8.935 8.387 0.548 25761 4212 1 9 . 1 1 37 37 VAL N N 37 116.903 116.903 116.398 0.505 25761 4213 1 9 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.075 -0.326 25761 4214 1 9 . 1 1 37 37 VAL CB C 37 33.582 33.582 36.453 -2.871 25761 4215 1 9 . 1 1 37 37 VAL H H 37 7.830 7.830 8.731 -0.901 25761 4216 1 9 . 1 1 38 38 LEU N N 38 126.366 126.366 122.969 3.397 25761 4217 1 9 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.003 0.528 25761 4218 1 9 . 1 1 38 38 LEU CA C 38 50.875 50.875 54.026 -3.151 25761 4219 1 9 . 1 1 38 38 LEU CB C 38 41.970 41.970 45.751 -3.781 25761 4220 1 9 . 1 1 38 38 LEU H H 38 8.926 8.926 8.615 0.311 25761 4221 1 9 . 1 1 39 39 VAL N N 39 121.843 121.843 123.358 -1.515 25761 4222 1 9 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.462 0.417 25761 4223 1 9 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.313 -2.970 25761 4224 1 9 . 1 1 39 39 VAL CB C 39 32.192 32.192 31.960 0.232 25761 4225 1 9 . 1 1 39 39 VAL H H 39 8.819 8.819 8.827 -0.008 25761 4226 1 9 . 1 1 40 40 LYS N N 40 129.592 129.592 128.221 1.371 25761 4227 1 9 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.497 0.782 25761 4228 1 9 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.832 -6.841 25761 4229 1 9 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.999 -3.317 25761 4230 1 9 . 1 1 40 40 LYS H H 40 9.438 9.438 8.489 0.949 25761 4231 1 9 . 1 1 41 41 ALA N N 41 131.659 131.659 127.254 4.405 25761 4232 1 9 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.185 0.064 25761 4233 1 9 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.024 1.792 25761 4234 1 9 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.132 -4.487 25761 4235 1 9 . 1 1 41 41 ALA H H 41 9.349 9.349 7.908 1.441 25761 4236 1 9 . 1 1 42 42 VAL N N 42 127.668 127.668 117.215 10.453 25761 4237 1 9 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.225 0.044 25761 4238 1 9 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.465 -1.844 25761 4239 1 9 . 1 1 42 42 VAL CB C 42 31.878 31.878 36.827 -4.949 25761 4240 1 9 . 1 1 42 42 VAL H H 42 9.517 9.517 8.484 1.033 25761 4241 1 9 . 1 1 43 43 ASP N N 43 127.524 127.524 123.681 3.843 25761 4242 1 9 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.372 -0.486 25761 4243 1 9 . 1 1 43 43 ASP CA C 43 49.630 49.630 51.956 -2.326 25761 4244 1 9 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.710 -2.183 25761 4245 1 9 . 1 1 43 43 ASP H H 43 8.821 8.821 8.552 0.269 25761 4246 1 9 . 1 1 44 44 ARG N N 44 123.676 123.676 123.997 -0.321 25761 4247 1 9 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.152 -0.057 25761 4248 1 9 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.413 -2.742 25761 4249 1 9 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.990 -1.896 25761 4250 1 9 . 1 1 44 44 ARG H H 44 8.435 8.435 8.036 0.399 25761 4251 1 9 . 1 1 45 45 ARG N N 45 120.486 120.486 119.602 0.884 25761 4252 1 9 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.208 -0.077 25761 4253 1 9 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.561 -1.954 25761 4254 1 9 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.842 -2.778 25761 4255 1 9 . 1 1 45 45 ARG H H 45 8.551 8.551 7.792 0.759 25761 4256 1 9 . 1 1 46 46 GLU N N 46 116.189 116.189 116.446 -0.257 25761 4257 1 9 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.315 -0.062 25761 4258 1 9 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.548 -3.110 25761 4259 1 9 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.517 -1.901 25761 4260 1 9 . 1 1 46 46 GLU H H 46 7.918 7.918 8.615 -0.697 25761 4261 1 9 . 1 1 47 47 GLY N N 47 108.218 108.218 110.479 -2.261 25761 4262 1 9 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.571 -1.601 25761 4263 1 9 . 1 1 47 47 GLY H H 47 8.159 8.159 8.050 0.109 25761 4264 1 9 . 1 1 48 48 THR N N 48 109.683 109.683 110.520 -0.837 25761 4265 1 9 . 1 1 48 48 THR HA H 48 4.639 4.639 4.635 0.004 25761 4266 1 9 . 1 1 48 48 THR CA C 48 57.215 57.215 59.758 -2.543 25761 4267 1 9 . 1 1 48 48 THR CB C 48 69.275 69.275 71.401 -2.126 25761 4268 1 9 . 1 1 48 48 THR H H 48 7.485 7.485 8.011 -0.526 25761 4269 1 9 . 1 1 49 49 ALA N N 49 122.571 122.571 121.769 0.802 25761 4270 1 9 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.733 0.423 25761 4271 1 9 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.615 -3.604 25761 4272 1 9 . 1 1 49 49 ALA CB C 49 21.004 21.004 21.773 -0.769 25761 4273 1 9 . 1 1 49 49 ALA H H 49 8.530 8.530 8.520 0.010 25761 4274 1 9 . 1 1 50 50 ARG N N 50 115.654 115.654 118.059 -2.405 25761 4275 1 9 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.661 -0.021 25761 4276 1 9 . 1 1 50 50 ARG CA C 50 51.506 51.506 55.680 -4.174 25761 4277 1 9 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.430 -0.598 25761 4278 1 9 . 1 1 50 50 ARG H H 50 8.168 8.168 7.884 0.284 25761 4279 1 9 . 1 1 51 51 LEU N N 51 122.400 122.400 119.993 2.407 25761 4280 1 9 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.403 0.871 25761 4281 1 9 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.414 -4.038 25761 4282 1 9 . 1 1 51 51 LEU CB C 51 44.159 44.159 46.228 -2.070 25761 4283 1 9 . 1 1 51 51 LEU H H 51 8.213 8.213 8.209 0.004 25761 4284 1 9 . 1 1 52 52 PHE N N 52 124.579 124.579 120.693 3.886 25761 4285 1 9 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.578 -0.028 25761 4286 1 9 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.081 -2.407 25761 4287 1 9 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.241 -2.622 25761 4288 1 9 . 1 1 52 52 PHE H H 52 9.546 9.546 8.698 0.848 25761 4289 1 9 . 1 1 53 53 SER N N 53 115.953 115.953 115.211 0.742 25761 4290 1 9 . 1 1 53 53 SER HA H 53 5.267 5.267 5.233 0.034 25761 4291 1 9 . 1 1 53 53 SER CA C 53 53.513 53.513 56.604 -3.091 25761 4292 1 9 . 1 1 53 53 SER CB C 53 64.255 64.255 66.309 -2.054 25761 4293 1 9 . 1 1 53 53 SER H H 53 9.727 9.727 9.034 0.693 25761 4294 1 9 . 1 1 54 54 GLU N N 54 124.987 124.987 123.623 1.364 25761 4295 1 9 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.081 -0.473 25761 4296 1 9 . 1 1 54 54 GLU CA C 54 53.317 53.317 57.084 -3.767 25761 4297 1 9 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.574 2.103 25761 4298 1 9 . 1 1 54 54 GLU H H 54 8.431 8.431 8.520 -0.089 25761 4299 1 9 . 1 1 55 55 ALA N N 55 127.789 127.789 121.449 6.340 25761 4300 1 9 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.655 -0.395 25761 4301 1 9 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.645 -3.639 25761 4302 1 9 . 1 1 55 55 ALA CB C 55 19.682 19.682 20.717 -1.035 25761 4303 1 9 . 1 1 55 55 ALA H H 55 8.430 8.430 7.743 0.687 25761 4304 1 9 . 1 1 56 56 THR N N 56 111.341 111.341 109.283 2.058 25761 4305 1 9 . 1 1 56 56 THR HA H 56 5.038 5.038 4.824 0.214 25761 4306 1 9 . 1 1 56 56 THR CA C 56 58.078 58.078 60.888 -2.810 25761 4307 1 9 . 1 1 56 56 THR CB C 56 68.505 68.505 71.232 -2.727 25761 4308 1 9 . 1 1 56 56 THR H H 56 7.923 7.923 7.771 0.152 25761 4309 1 9 . 1 1 57 57 ARG N N 57 124.295 124.295 119.852 4.443 25761 4310 1 9 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.919 -0.332 25761 4311 1 9 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.708 -2.383 25761 4312 1 9 . 1 1 57 57 ARG CB C 57 29.667 29.667 31.640 -1.973 25761 4313 1 9 . 1 1 57 57 ARG H H 57 9.054 9.054 8.800 0.254 25761 4314 1 9 . 1 1 58 58 GLY N N 58 109.220 109.220 108.213 1.007 25761 4315 1 9 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.312 -1.716 25761 4316 1 9 . 1 1 58 58 GLY H H 58 8.706 8.706 8.777 -0.071 25761 4317 1 9 . 1 1 59 59 ASP N N 59 120.555 120.555 120.416 0.139 25761 4318 1 9 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.531 0.055 25761 4319 1 9 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.668 -3.299 25761 4320 1 9 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.645 -3.248 25761 4321 1 9 . 1 1 59 59 ASP H H 59 8.194 8.194 7.973 0.221 25761 4322 1 9 . 1 1 60 60 GLY N N 60 107.833 107.833 108.227 -0.394 25761 4323 1 9 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.535 -2.622 25761 4324 1 9 . 1 1 60 60 GLY H H 60 7.999 7.999 7.898 0.101 25761 4325 1 9 . 1 1 61 61 GLU N N 61 121.205 121.205 119.419 1.786 25761 4326 1 9 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.476 -0.290 25761 4327 1 9 . 1 1 61 61 GLU CA C 61 53.994 53.994 54.615 -0.621 25761 4328 1 9 . 1 1 61 61 GLU CB C 61 27.931 27.931 31.747 -3.816 25761 4329 1 9 . 1 1 61 61 GLU H H 61 7.910 7.910 7.774 0.136 25761 4330 1 9 . 1 1 62 62 ARG N N 62 125.261 125.261 127.778 -2.517 25761 4331 1 9 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.112 0.700 25761 4332 1 9 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.126 -3.239 25761 4333 1 9 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.618 -2.700 25761 4334 1 9 . 1 1 62 62 ARG H H 62 8.219 8.219 8.562 -0.344 25761 4335 1 9 . 1 1 63 63 PHE N N 63 120.777 120.777 116.320 4.457 25761 4336 1 9 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.570 0.309 25761 4337 1 9 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.584 -2.784 25761 4338 1 9 . 1 1 63 63 PHE CB C 63 39.163 39.163 39.733 -0.570 25761 4339 1 9 . 1 1 63 63 PHE H H 63 8.431 8.431 7.483 0.948 25761 4340 1 9 . 1 1 64 64 TRP N N 64 119.550 119.550 122.122 -2.572 25761 4341 1 9 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.010 0.016 25761 4342 1 9 . 1 1 64 64 TRP CA C 64 53.189 53.189 56.318 -3.129 25761 4343 1 9 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.869 0.014 25761 4344 1 9 . 1 1 64 64 TRP H H 64 8.914 8.914 8.546 0.368 25761 4345 1 9 . 1 1 65 65 MET N N 65 118.324 118.324 121.542 -3.218 25761 4346 1 9 . 1 1 65 65 MET HA H 65 5.156 5.156 5.227 -0.071 25761 4347 1 9 . 1 1 65 65 MET CA C 65 50.438 50.438 53.953 -3.515 25761 4348 1 9 . 1 1 65 65 MET CB C 65 32.296 32.296 35.598 -3.302 25761 4349 1 9 . 1 1 65 65 MET H H 65 9.282 9.282 9.233 0.049 25761 4350 1 9 . 1 1 66 66 GLN N N 66 119.469 119.469 119.313 0.156 25761 4351 1 9 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.793 0.721 25761 4352 1 9 . 1 1 66 66 GLN CA C 66 49.965 49.965 53.142 -3.177 25761 4353 1 9 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.608 -0.108 25761 4354 1 9 . 1 1 66 66 GLN H H 66 8.785 8.785 8.869 -0.084 25761 4355 1 9 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.404 -0.283 25761 4356 1 9 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.178 -2.312 25761 4357 1 9 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.189 -2.152 25761 4358 1 9 . 1 1 68 68 VAL N N 68 119.433 119.433 119.868 -0.435 25761 4359 1 9 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.220 -0.261 25761 4360 1 9 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.953 -3.119 25761 4361 1 9 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.454 -1.422 25761 4362 1 9 . 1 1 68 68 VAL H H 68 8.464 8.464 7.630 0.834 25761 4363 1 9 . 1 1 69 69 ARG N N 69 127.119 127.119 128.356 -1.237 25761 4364 1 9 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.496 -0.160 25761 4365 1 9 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.568 -3.756 25761 4366 1 9 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.705 -2.782 25761 4367 1 9 . 1 1 69 69 ARG H H 69 8.519 8.519 8.720 -0.201 25761 4368 1 9 . 1 1 70 70 SER N N 70 115.574 115.574 116.264 -0.690 25761 4369 1 9 . 1 1 70 70 SER HA H 70 4.598 4.598 4.819 -0.221 25761 4370 1 9 . 1 1 70 70 SER CA C 70 54.127 54.127 57.895 -3.768 25761 4371 1 9 . 1 1 70 70 SER CB C 70 62.189 62.189 64.549 -2.360 25761 4372 1 9 . 1 1 70 70 SER H H 70 7.955 7.955 7.844 0.111 25761 4373 1 9 . 1 1 71 71 THR N N 71 114.592 114.592 115.417 -0.825 25761 4374 1 9 . 1 1 71 71 THR HA H 71 5.244 5.244 4.522 0.722 25761 4375 1 9 . 1 1 71 71 THR CA C 71 58.147 58.147 61.310 -3.163 25761 4376 1 9 . 1 1 71 71 THR CB C 71 66.895 66.895 69.436 -2.541 25761 4377 1 9 . 1 1 71 71 THR H H 71 8.285 8.285 8.356 -0.071 25761 4378 1 9 . 1 1 72 72 PHE N N 72 125.101 125.101 123.261 1.840 25761 4379 1 9 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.389 0.552 25761 4380 1 9 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.923 -5.788 25761 4381 1 9 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.755 -2.825 25761 4382 1 9 . 1 1 72 72 PHE H H 72 8.649 8.649 7.824 0.825 25761 4383 1 9 . 1 1 73 73 GLU N N 73 129.014 129.014 127.282 1.732 25761 4384 1 9 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.991 -0.440 25761 4385 1 9 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.657 -2.242 25761 4386 1 9 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.286 5.606 25761 4387 1 9 . 1 1 73 73 GLU H H 73 9.018 9.018 8.940 0.078 25761 4388 1 9 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.229 -2.132 25761 4389 1 9 . 1 1 75 75 ASP N N 75 116.246 116.246 119.341 -3.095 25761 4390 1 9 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.633 -0.183 25761 4391 1 9 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.784 -2.234 25761 4392 1 9 . 1 1 75 75 ASP CB C 75 37.741 37.741 42.450 -4.709 25761 4393 1 9 . 1 1 75 75 ASP H H 75 7.493 7.493 7.854 -0.361 25761 4394 1 9 . 1 1 76 76 LEU N N 76 121.503 121.503 120.898 0.605 25761 4395 1 9 . 1 1 76 76 LEU HA H 76 3.986 3.986 3.956 0.030 25761 4396 1 9 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.020 -3.776 25761 4397 1 9 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.129 -4.890 25761 4398 1 9 . 1 1 76 76 LEU H H 76 7.651 7.651 8.439 -0.788 25761 4399 1 9 . 1 1 77 77 ASP N N 77 120.554 120.554 118.582 1.972 25761 4400 1 9 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.297 -0.006 25761 4401 1 9 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.402 -2.707 25761 4402 1 9 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.877 -3.683 25761 4403 1 9 . 1 1 77 77 ASP H H 77 8.117 8.117 8.219 -0.102 25761 4404 1 9 . 1 1 78 78 ALA N N 78 121.953 121.953 121.420 0.533 25761 4405 1 9 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.055 0.088 25761 4406 1 9 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.808 -2.438 25761 4407 1 9 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.241 -2.842 25761 4408 1 9 . 1 1 78 78 ALA H H 78 7.904 7.904 8.095 -0.191 25761 4409 1 9 . 1 1 79 79 TYR N N 79 119.746 119.746 120.114 -0.368 25761 4410 1 9 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.033 -0.144 25761 4411 1 9 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.596 -2.212 25761 4412 1 9 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.200 -2.389 25761 4413 1 9 . 1 1 79 79 TYR H H 79 7.422 7.422 7.945 -0.523 25761 4414 1 9 . 1 1 80 80 ALA N N 80 122.107 122.107 120.943 1.164 25761 4415 1 9 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.000 -0.230 25761 4416 1 9 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.885 -3.355 25761 4417 1 9 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.016 -2.638 25761 4418 1 9 . 1 1 80 80 ALA H H 80 8.376 8.376 7.919 0.457 25761 4419 1 9 . 1 1 81 81 GLU N N 81 118.620 118.620 118.226 0.394 25761 4420 1 9 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.041 -0.197 25761 4421 1 9 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.417 -2.704 25761 4422 1 9 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.445 -2.567 25761 4423 1 9 . 1 1 81 81 GLU H H 81 8.149 8.149 8.023 0.126 25761 4424 1 9 . 1 1 82 82 ARG N N 82 120.032 120.032 120.413 -0.381 25761 4425 1 9 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.103 -0.355 25761 4426 1 9 . 1 1 82 82 ARG CA C 82 56.787 56.787 59.019 -2.232 25761 4427 1 9 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.197 -5.044 25761 4428 1 9 . 1 1 82 82 ARG H H 82 7.535 7.535 8.342 -0.807 25761 4429 1 9 . 1 1 83 83 ALA N N 83 122.089 122.089 122.015 0.074 25761 4430 1 9 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.891 -0.183 25761 4431 1 9 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.931 -2.606 25761 4432 1 9 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.335 -2.666 25761 4433 1 9 . 1 1 83 83 ALA H H 83 8.467 8.467 8.188 0.279 25761 4434 1 9 . 1 1 84 84 ALA N N 84 118.529 118.529 117.830 0.699 25761 4435 1 9 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.257 -0.015 25761 4436 1 9 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.879 -2.890 25761 4437 1 9 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.373 -3.192 25761 4438 1 9 . 1 1 84 84 ALA H H 84 7.517 7.517 7.530 -0.013 25761 4439 1 9 . 1 1 85 85 ARG N N 85 117.478 117.478 116.667 0.811 25761 4440 1 9 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.436 -0.449 25761 4441 1 9 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.143 -1.452 25761 4442 1 9 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.116 -3.530 25761 4443 1 9 . 1 1 85 85 ARG H H 85 7.278 7.278 7.663 -0.385 25761 4444 1 9 . 1 1 86 86 ILE N N 86 118.079 118.079 119.335 -1.256 25761 4445 1 9 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.177 -0.430 25761 4446 1 9 . 1 1 86 86 ILE CA C 86 60.531 60.531 62.180 -1.649 25761 4447 1 9 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.539 -3.326 25761 4448 1 9 . 1 1 86 86 ILE H H 86 7.286 7.286 7.614 -0.328 25761 4449 1 9 . 1 1 87 87 ASP N N 87 117.833 117.833 121.984 -4.151 25761 4450 1 9 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.679 0.301 25761 4451 1 9 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.548 -6.906 25761 4452 1 9 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.608 -2.432 25761 4453 1 9 . 1 1 87 87 ASP H H 87 7.973 7.973 7.818 0.155 25761 4454 1 9 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.395 0.246 25761 4455 1 9 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.087 -3.538 25761 4456 1 9 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.359 -2.800 25761 4457 1 9 . 1 1 89 89 ASP N N 89 120.189 120.189 116.382 3.807 25761 4458 1 9 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.791 -0.105 25761 4459 1 9 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.026 -1.653 25761 4460 1 9 . 1 1 89 89 ASP H H 89 7.960 7.960 8.483 -0.523 25761 4461 1 9 . 1 1 90 90 ILE N N 90 120.372 120.372 121.409 -1.037 25761 4462 1 9 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.798 -0.243 25761 4463 1 9 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.848 0.174 25761 4464 1 9 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.584 -2.386 25761 4465 1 9 . 1 1 90 90 ILE H H 90 7.234 7.234 8.110 -0.876 25761 4466 1 9 . 1 1 91 91 TRP N N 91 122.596 122.596 129.157 -6.561 25761 4467 1 9 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.785 0.104 25761 4468 1 9 . 1 1 91 91 TRP CA C 91 52.667 52.667 57.069 -4.402 25761 4469 1 9 . 1 1 91 91 TRP CB C 91 28.630 28.630 30.496 -1.866 25761 4470 1 9 . 1 1 91 91 TRP H H 91 9.295 9.295 8.844 0.451 25761 4471 1 9 . 1 1 92 92 VAL N N 92 118.958 118.958 122.184 -3.226 25761 4472 1 9 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.344 0.804 25761 4473 1 9 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.325 -1.928 25761 4474 1 9 . 1 1 92 92 VAL CB C 92 31.825 31.825 32.847 -1.022 25761 4475 1 9 . 1 1 92 92 VAL H H 92 9.040 9.040 8.187 0.853 25761 4476 1 9 . 1 1 93 93 VAL N N 93 129.129 129.129 128.174 0.955 25761 4477 1 9 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.847 -0.078 25761 4478 1 9 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.289 -3.974 25761 4479 1 9 . 1 1 93 93 VAL CB C 93 32.548 32.548 34.307 -1.759 25761 4480 1 9 . 1 1 93 93 VAL H H 93 9.201 9.201 8.914 0.287 25761 4481 1 9 . 1 1 94 94 GLU N N 94 126.192 126.192 127.823 -1.631 25761 4482 1 9 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.889 0.523 25761 4483 1 9 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.967 -3.203 25761 4484 1 9 . 1 1 94 94 GLU CB C 94 29.584 29.584 30.550 -0.966 25761 4485 1 9 . 1 1 94 94 GLU H H 94 9.161 9.161 8.859 0.302 25761 4486 1 9 . 1 1 95 95 ILE N N 95 125.285 125.285 125.243 0.042 25761 4487 1 9 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.344 0.427 25761 4488 1 9 . 1 1 95 95 ILE CA C 95 57.319 57.319 59.118 -1.799 25761 4489 1 9 . 1 1 95 95 ILE CB C 95 38.475 38.475 37.763 0.712 25761 4490 1 9 . 1 1 95 95 ILE H H 95 9.347 9.347 9.143 0.204 25761 4491 1 9 . 1 1 96 96 GLU N N 96 128.539 128.539 126.228 2.311 25761 4492 1 9 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.622 0.533 25761 4493 1 9 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.334 -2.783 25761 4494 1 9 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.144 -2.083 25761 4495 1 9 . 1 1 96 96 GLU H H 96 9.390 9.390 9.092 0.298 25761 4496 1 9 . 1 1 97 97 ASP N N 97 123.516 123.516 123.228 0.288 25761 4497 1 9 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.861 0.458 25761 4498 1 9 . 1 1 97 97 ASP CA C 97 50.769 50.769 54.547 -3.778 25761 4499 1 9 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.279 2.558 25761 4500 1 9 . 1 1 97 97 ASP H H 97 8.582 8.582 8.511 0.071 25761 4501 1 9 . 1 1 98 98 ARG N N 98 127.597 127.597 119.702 7.895 25761 4502 1 9 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.144 -0.073 25761 4503 1 9 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.156 -2.670 25761 4504 1 9 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.595 -3.025 25761 4505 1 9 . 1 1 98 98 ARG H H 98 8.914 8.914 8.534 0.380 25761 4506 1 9 . 1 1 99 99 ASP N N 99 115.196 115.196 118.471 -3.275 25761 4507 1 9 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.579 0.399 25761 4508 1 9 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.764 -2.756 25761 4509 1 9 . 1 1 99 99 ASP CB C 99 39.782 39.782 39.461 0.321 25761 4510 1 9 . 1 1 99 99 ASP H H 99 7.379 7.379 8.358 -0.979 25761 4511 1 9 . 1 1 100 100 GLY N N 100 106.976 106.976 110.843 -3.867 25761 4512 1 9 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.001 -1.367 25761 4513 1 9 . 1 1 100 100 GLY H H 100 7.481 7.481 8.050 -0.569 25761 4514 1 9 . 1 1 101 101 ARG N N 101 120.072 120.072 118.336 1.736 25761 4515 1 9 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.090 -0.648 25761 4516 1 9 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.138 -1.951 25761 4517 1 9 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.294 -3.435 25761 4518 1 9 . 1 1 101 101 ARG H H 101 8.798 8.798 8.136 0.662 25761 4519 1 9 . 1 1 102 102 HIS N N 102 112.990 112.990 114.396 -1.406 25761 4520 1 9 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.764 -0.411 25761 4521 1 9 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.402 -3.719 25761 4522 1 9 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.927 -1.403 25761 4523 1 9 . 1 1 102 102 HIS H H 102 5.928 5.928 8.111 -2.183 25761 4524 1 9 . 1 1 103 103 PHE N N 103 106.623 106.623 116.193 -9.570 25761 4525 1 9 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.014 -0.621 25761 4526 1 9 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.877 -1.002 25761 4527 1 9 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.202 -2.851 25761 4528 1 9 . 1 1 103 103 PHE H H 103 6.660 6.660 7.678 -1.018 25761 4529 1 9 . 1 1 104 104 LEU N N 104 123.743 123.743 119.034 4.709 25761 4530 1 9 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.441 -0.193 25761 4531 1 9 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.456 -2.607 25761 4532 1 9 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.742 -4.485 25761 4533 1 9 . 1 1 104 104 LEU H H 104 10.737 10.737 7.498 3.239 25761 4534 1 9 . 1 1 105 105 THR N N 105 113.822 113.822 111.782 2.040 25761 4535 1 9 . 1 1 105 105 THR HA H 105 4.313 4.313 4.526 -0.213 25761 4536 1 9 . 1 1 105 105 THR CA C 105 59.658 59.658 62.298 -2.640 25761 4537 1 9 . 1 1 105 105 THR CB C 105 66.210 66.210 69.194 -2.984 25761 4538 1 9 . 1 1 105 105 THR H H 105 9.213 9.213 8.255 0.958 25761 4539 1 9 . 1 1 106 106 GLU N N 106 123.871 123.871 121.463 2.408 25761 4540 1 9 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.734 -0.121 25761 4541 1 9 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.714 -6.579 25761 4542 1 9 . 1 1 106 106 GLU H H 106 7.734 7.734 7.915 -0.181 25761 4543 1 9 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.509 -0.245 25761 4544 1 9 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.936 -1.472 25761 4545 1 9 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.325 -2.522 25761 4546 1 9 . 1 1 108 108 VAL N N 108 120.628 120.628 120.092 0.536 25761 4547 1 9 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.812 -3.004 25761 4548 1 9 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.623 -1.433 25761 4549 1 9 . 1 1 108 108 VAL H H 108 8.137 8.137 8.401 -0.264 25761 4550 1 9 . 1 1 109 109 GLU N N 109 128.850 128.850 129.246 -0.396 25761 4551 1 9 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.334 0.105 25761 4552 1 9 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.774 -2.866 25761 4553 1 9 . 1 1 109 109 GLU CB C 109 28.447 28.447 30.878 -2.431 25761 4554 1 9 . 1 1 109 109 GLU H H 109 9.095 9.095 8.884 0.211 25761 4555 1 10 . 1 1 2 2 MET HA H 2 4.380 4.380 4.746 -0.366 25761 4556 1 10 . 1 1 2 2 MET CA C 2 52.819 52.819 54.593 -1.774 25761 4557 1 10 . 1 1 2 2 MET CB C 2 30.830 30.830 33.783 -2.953 25761 4558 1 10 . 1 1 3 3 LEU N N 3 123.960 123.960 124.911 -0.951 25761 4559 1 10 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.656 -0.366 25761 4560 1 10 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.865 -2.195 25761 4561 1 10 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.571 -2.643 25761 4562 1 10 . 1 1 3 3 LEU H H 3 8.399 8.399 8.410 -0.011 25761 4563 1 10 . 1 1 4 4 LEU N N 4 123.372 123.372 124.986 -1.614 25761 4564 1 10 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.289 0.168 25761 4565 1 10 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.306 -2.659 25761 4566 1 10 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.331 -1.329 25761 4567 1 10 . 1 1 4 4 LEU H H 4 8.134 8.134 8.349 -0.215 25761 4568 1 10 . 1 1 5 5 SER N N 5 117.439 117.439 117.885 -0.446 25761 4569 1 10 . 1 1 5 5 SER HA H 5 4.628 4.628 4.289 0.339 25761 4570 1 10 . 1 1 5 5 SER CA C 5 56.192 56.192 57.455 -1.262 25761 4571 1 10 . 1 1 5 5 SER CB C 5 61.291 61.291 64.488 -3.197 25761 4572 1 10 . 1 1 5 5 SER H H 5 8.075 8.075 7.992 0.083 25761 4573 1 10 . 1 1 6 6 THR N N 6 121.297 121.297 118.288 3.009 25761 4574 1 10 . 1 1 6 6 THR HA H 6 3.713 3.713 3.502 0.211 25761 4575 1 10 . 1 1 6 6 THR CA C 6 64.981 64.981 67.011 -2.030 25761 4576 1 10 . 1 1 6 6 THR CB C 6 65.860 65.860 68.340 -2.480 25761 4577 1 10 . 1 1 6 6 THR H H 6 7.681 7.681 7.943 -0.262 25761 4578 1 10 . 1 1 7 7 ASP N N 7 119.550 119.550 120.763 -1.213 25761 4579 1 10 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.817 -0.075 25761 4580 1 10 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.332 -2.335 25761 4581 1 10 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.391 -3.599 25761 4582 1 10 . 1 1 7 7 ASP H H 7 9.044 9.044 7.827 1.217 25761 4583 1 10 . 1 1 8 8 ILE N N 8 123.495 123.495 120.200 3.295 25761 4584 1 10 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.771 -0.050 25761 4585 1 10 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.433 -2.458 25761 4586 1 10 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.510 -1.383 25761 4587 1 10 . 1 1 8 8 ILE H H 8 7.749 7.749 7.653 0.096 25761 4588 1 10 . 1 1 9 9 TRP N N 9 124.446 124.446 119.578 4.868 25761 4589 1 10 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.363 -0.519 25761 4590 1 10 . 1 1 9 9 TRP CA C 9 60.136 60.136 59.769 0.367 25761 4591 1 10 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.252 -1.277 25761 4592 1 10 . 1 1 9 9 TRP H H 9 8.232 8.232 7.049 1.183 25761 4593 1 10 . 1 1 10 10 VAL N N 10 121.207 121.207 119.746 1.461 25761 4594 1 10 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.634 -0.469 25761 4595 1 10 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.514 -2.279 25761 4596 1 10 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.741 -1.725 25761 4597 1 10 . 1 1 10 10 VAL H H 10 9.240 9.240 7.616 1.624 25761 4598 1 10 . 1 1 11 11 ALA N N 11 120.679 120.679 121.846 -1.167 25761 4599 1 10 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.019 -0.170 25761 4600 1 10 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.354 -2.875 25761 4601 1 10 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.196 -3.051 25761 4602 1 10 . 1 1 11 11 ALA H H 11 7.718 7.718 8.110 -0.392 25761 4603 1 10 . 1 1 12 12 ALA N N 12 120.217 120.217 121.343 -1.126 25761 4604 1 10 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.189 -0.284 25761 4605 1 10 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.455 -2.459 25761 4606 1 10 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.571 -3.632 25761 4607 1 10 . 1 1 12 12 ALA H H 12 7.642 7.642 7.516 0.126 25761 4608 1 10 . 1 1 13 13 LEU N N 13 122.821 122.821 121.566 1.255 25761 4609 1 10 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.001 -0.456 25761 4610 1 10 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.073 -2.532 25761 4611 1 10 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.902 -3.453 25761 4612 1 10 . 1 1 13 13 LEU H H 13 7.320 7.320 8.440 -1.120 25761 4613 1 10 . 1 1 14 14 ILE N N 14 117.258 117.258 117.736 -0.478 25761 4614 1 10 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.549 -0.497 25761 4615 1 10 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.400 -2.195 25761 4616 1 10 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.367 -1.590 25761 4617 1 10 . 1 1 14 14 ILE H H 14 8.105 8.105 8.612 -0.507 25761 4618 1 10 . 1 1 15 15 ARG N N 15 117.921 117.921 119.838 -1.917 25761 4619 1 10 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.903 0.057 25761 4620 1 10 . 1 1 15 15 ARG CA C 15 56.068 56.068 60.091 -4.023 25761 4621 1 10 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.744 -2.442 25761 4622 1 10 . 1 1 15 15 ARG H H 15 7.574 7.574 7.803 -0.229 25761 4623 1 10 . 1 1 16 16 ARG N N 16 118.635 118.635 118.945 -0.310 25761 4624 1 10 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.044 -0.343 25761 4625 1 10 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.695 -1.041 25761 4626 1 10 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.302 -1.171 25761 4627 1 10 . 1 1 16 16 ARG H H 16 7.832 7.832 8.211 -0.379 25761 4628 1 10 . 1 1 17 17 ALA N N 17 122.335 122.335 120.037 2.298 25761 4629 1 10 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.906 0.146 25761 4630 1 10 . 1 1 17 17 ALA CA C 17 62.360 62.360 53.780 8.580 25761 4631 1 10 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.621 -3.068 25761 4632 1 10 . 1 1 17 17 ALA H H 17 7.856 7.856 7.934 -0.078 25761 4633 1 10 . 1 1 18 18 GLU N N 18 118.223 118.223 119.588 -1.365 25761 4634 1 10 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.177 -0.186 25761 4635 1 10 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.684 -2.195 25761 4636 1 10 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.678 -2.892 25761 4637 1 10 . 1 1 18 18 GLU H H 18 8.303 8.303 8.045 0.258 25761 4638 1 10 . 1 1 19 19 LEU N N 19 122.454 122.454 120.128 2.326 25761 4639 1 10 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.210 -0.206 25761 4640 1 10 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.499 -1.642 25761 4641 1 10 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.998 -2.883 25761 4642 1 10 . 1 1 19 19 LEU H H 19 8.402 8.402 8.302 0.100 25761 4643 1 10 . 1 1 20 20 GLY N N 20 105.446 105.446 104.979 0.467 25761 4644 1 10 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.574 -1.831 25761 4645 1 10 . 1 1 20 20 GLY H H 20 7.468 7.468 7.278 0.190 25761 4646 1 10 . 1 1 21 21 GLY N N 21 107.714 107.714 109.233 -1.519 25761 4647 1 10 . 1 1 21 21 GLY CA C 21 42.627 42.627 45.349 -2.722 25761 4648 1 10 . 1 1 21 21 GLY H H 21 7.754 7.754 7.666 0.088 25761 4649 1 10 . 1 1 22 22 ALA N N 22 123.725 123.725 120.654 3.071 25761 4650 1 10 . 1 1 22 22 ALA HA H 22 4.664 4.664 5.178 -0.514 25761 4651 1 10 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.389 -2.151 25761 4652 1 10 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.744 -2.461 25761 4653 1 10 . 1 1 22 22 ALA H H 22 8.012 8.012 7.305 0.707 25761 4654 1 10 . 1 1 23 23 PHE N N 23 117.564 117.564 119.928 -2.364 25761 4655 1 10 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.859 -0.020 25761 4656 1 10 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.067 -3.305 25761 4657 1 10 . 1 1 23 23 PHE CB C 23 38.656 38.656 42.466 -3.810 25761 4658 1 10 . 1 1 23 23 PHE H H 23 8.128 8.128 8.095 0.033 25761 4659 1 10 . 1 1 24 24 ALA N N 24 128.638 128.638 128.658 -0.020 25761 4660 1 10 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.516 -0.064 25761 4661 1 10 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.358 -2.847 25761 4662 1 10 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.026 -0.648 25761 4663 1 10 . 1 1 24 24 ALA H H 24 8.542 8.542 8.110 0.432 25761 4664 1 10 . 1 1 25 25 THR N N 25 115.207 115.207 113.337 1.870 25761 4665 1 10 . 1 1 25 25 THR HA H 25 4.394 4.394 4.426 -0.032 25761 4666 1 10 . 1 1 25 25 THR CA C 25 57.830 57.830 61.604 -3.774 25761 4667 1 10 . 1 1 25 25 THR CB C 25 69.095 69.095 70.029 -0.934 25761 4668 1 10 . 1 1 25 25 THR H H 25 9.003 9.003 8.303 0.700 25761 4669 1 10 . 1 1 26 26 VAL N N 26 125.712 125.712 122.463 3.249 25761 4670 1 10 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.776 -0.594 25761 4671 1 10 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.221 -0.735 25761 4672 1 10 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.167 -4.619 25761 4673 1 10 . 1 1 26 26 VAL H H 26 8.739 8.739 8.392 0.347 25761 4674 1 10 . 1 1 27 27 ALA N N 27 134.206 134.206 132.600 1.606 25761 4675 1 10 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.306 -0.061 25761 4676 1 10 . 1 1 27 27 ALA CA C 27 50.742 50.742 53.073 -2.331 25761 4677 1 10 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.735 -3.204 25761 4678 1 10 . 1 1 27 27 ALA H H 27 8.412 8.412 9.047 -0.635 25761 4679 1 10 . 1 1 28 28 ARG N N 28 117.751 117.751 118.841 -1.090 25761 4680 1 10 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.456 -0.248 25761 4681 1 10 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.558 -1.900 25761 4682 1 10 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.550 -2.550 25761 4683 1 10 . 1 1 28 28 ARG H H 28 8.090 8.090 7.330 0.760 25761 4684 1 10 . 1 1 29 29 LYS N N 29 128.417 128.417 125.117 3.300 25761 4685 1 10 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.364 -0.255 25761 4686 1 10 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.577 -1.785 25761 4687 1 10 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.042 -2.753 25761 4688 1 10 . 1 1 29 29 LYS H H 29 8.536 8.536 8.446 0.090 25761 4689 1 10 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.897 -3.039 25761 4690 1 10 . 1 1 31 31 ASP N N 31 120.477 120.477 120.944 -0.467 25761 4691 1 10 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.664 -0.160 25761 4692 1 10 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.547 -1.910 25761 4693 1 10 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.319 -1.969 25761 4694 1 10 . 1 1 31 31 ASP H H 31 8.445 8.445 8.100 0.345 25761 4695 1 10 . 1 1 32 32 ALA N N 32 133.865 133.865 131.090 2.775 25761 4696 1 10 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.213 0.156 25761 4697 1 10 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.025 -1.738 25761 4698 1 10 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.148 -2.093 25761 4699 1 10 . 1 1 32 32 ALA H H 32 9.236 9.236 8.948 0.288 25761 4700 1 10 . 1 1 33 33 ARG N N 33 113.991 113.991 117.889 -3.898 25761 4701 1 10 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.050 0.364 25761 4702 1 10 . 1 1 33 33 ARG CA C 33 55.785 55.785 59.050 -3.265 25761 4703 1 10 . 1 1 33 33 ARG CB C 33 28.183 28.183 30.756 -2.573 25761 4704 1 10 . 1 1 33 33 ARG H H 33 7.913 7.913 8.807 -0.894 25761 4705 1 10 . 1 1 34 34 ALA N N 34 120.593 120.593 118.416 2.177 25761 4706 1 10 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.650 0.024 25761 4707 1 10 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.873 -2.337 25761 4708 1 10 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.306 -1.492 25761 4709 1 10 . 1 1 34 34 ALA H H 34 8.306 8.306 7.677 0.629 25761 4710 1 10 . 1 1 35 35 GLY N N 35 107.349 107.349 108.244 -0.895 25761 4711 1 10 . 1 1 35 35 GLY CA C 35 44.450 44.450 45.054 -0.604 25761 4712 1 10 . 1 1 35 35 GLY H H 35 7.715 7.715 7.720 -0.005 25761 4713 1 10 . 1 1 36 36 ALA N N 36 127.073 127.073 126.184 0.889 25761 4714 1 10 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.745 -0.387 25761 4715 1 10 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.797 -2.656 25761 4716 1 10 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.219 -3.252 25761 4717 1 10 . 1 1 36 36 ALA H H 36 8.935 8.935 8.316 0.619 25761 4718 1 10 . 1 1 37 37 VAL N N 37 116.903 116.903 118.612 -1.709 25761 4719 1 10 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.102 -0.353 25761 4720 1 10 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.550 -1.968 25761 4721 1 10 . 1 1 37 37 VAL H H 37 7.830 7.830 8.219 -0.389 25761 4722 1 10 . 1 1 38 38 LEU N N 38 126.366 126.366 127.427 -1.061 25761 4723 1 10 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.278 0.253 25761 4724 1 10 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.478 -2.603 25761 4725 1 10 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.517 -2.547 25761 4726 1 10 . 1 1 38 38 LEU H H 38 8.926 8.926 8.867 0.059 25761 4727 1 10 . 1 1 39 39 VAL N N 39 121.843 121.843 122.688 -0.845 25761 4728 1 10 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.751 0.128 25761 4729 1 10 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.005 -2.662 25761 4730 1 10 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.700 -0.508 25761 4731 1 10 . 1 1 39 39 VAL H H 39 8.819 8.819 9.092 -0.273 25761 4732 1 10 . 1 1 40 40 LYS N N 40 129.592 129.592 129.119 0.473 25761 4733 1 10 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.464 0.815 25761 4734 1 10 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.274 -6.283 25761 4735 1 10 . 1 1 40 40 LYS CB C 40 31.682 31.682 33.200 -1.518 25761 4736 1 10 . 1 1 40 40 LYS H H 40 9.438 9.438 8.023 1.415 25761 4737 1 10 . 1 1 41 41 ALA N N 41 131.659 131.659 129.119 2.540 25761 4738 1 10 . 1 1 41 41 ALA HA H 41 5.249 5.249 4.784 0.465 25761 4739 1 10 . 1 1 41 41 ALA CA C 41 51.816 51.816 51.642 0.174 25761 4740 1 10 . 1 1 41 41 ALA CB C 41 17.645 17.645 20.431 -2.786 25761 4741 1 10 . 1 1 41 41 ALA H H 41 9.349 9.349 8.231 1.118 25761 4742 1 10 . 1 1 42 42 VAL N N 42 127.668 127.668 120.515 7.153 25761 4743 1 10 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.256 0.013 25761 4744 1 10 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.223 -1.602 25761 4745 1 10 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.697 -2.820 25761 4746 1 10 . 1 1 42 42 VAL H H 42 9.517 9.517 8.754 0.763 25761 4747 1 10 . 1 1 43 43 ASP N N 43 127.524 127.524 129.714 -2.190 25761 4748 1 10 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.840 0.046 25761 4749 1 10 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.939 -4.309 25761 4750 1 10 . 1 1 43 43 ASP CB C 43 38.527 38.527 39.448 -0.921 25761 4751 1 10 . 1 1 43 43 ASP H H 43 8.821 8.821 8.638 0.183 25761 4752 1 10 . 1 1 44 44 ARG N N 44 123.676 123.676 121.196 2.480 25761 4753 1 10 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.045 0.050 25761 4754 1 10 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.505 -2.834 25761 4755 1 10 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.591 -1.497 25761 4756 1 10 . 1 1 44 44 ARG H H 44 8.435 8.435 7.819 0.616 25761 4757 1 10 . 1 1 45 45 ARG N N 45 120.486 120.486 117.719 2.767 25761 4758 1 10 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.206 -0.075 25761 4759 1 10 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.284 -1.677 25761 4760 1 10 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.002 -1.938 25761 4761 1 10 . 1 1 45 45 ARG H H 45 8.551 8.551 7.998 0.553 25761 4762 1 10 . 1 1 46 46 GLU N N 46 116.189 116.189 116.216 -0.027 25761 4763 1 10 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.455 -0.202 25761 4764 1 10 . 1 1 46 46 GLU CA C 46 53.438 53.438 55.834 -2.396 25761 4765 1 10 . 1 1 46 46 GLU CB C 46 28.616 28.616 31.088 -2.472 25761 4766 1 10 . 1 1 46 46 GLU H H 46 7.918 7.918 8.007 -0.089 25761 4767 1 10 . 1 1 47 47 GLY N N 47 108.218 108.218 109.394 -1.176 25761 4768 1 10 . 1 1 47 47 GLY CA C 47 43.970 43.970 46.058 -2.088 25761 4769 1 10 . 1 1 47 47 GLY H H 47 8.159 8.159 8.402 -0.243 25761 4770 1 10 . 1 1 48 48 THR N N 48 109.683 109.683 113.130 -3.447 25761 4771 1 10 . 1 1 48 48 THR HA H 48 4.639 4.639 4.195 0.444 25761 4772 1 10 . 1 1 48 48 THR CA C 48 57.215 57.215 61.733 -4.518 25761 4773 1 10 . 1 1 48 48 THR CB C 48 69.275 69.275 69.258 0.017 25761 4774 1 10 . 1 1 48 48 THR H H 48 7.485 7.485 7.344 0.141 25761 4775 1 10 . 1 1 49 49 ALA N N 49 122.571 122.571 123.269 -0.698 25761 4776 1 10 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.814 0.342 25761 4777 1 10 . 1 1 49 49 ALA CA C 49 48.011 48.011 50.821 -2.810 25761 4778 1 10 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.250 -1.246 25761 4779 1 10 . 1 1 49 49 ALA H H 49 8.530 8.530 8.397 0.133 25761 4780 1 10 . 1 1 50 50 ARG N N 50 115.654 115.654 118.720 -3.066 25761 4781 1 10 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.642 -0.002 25761 4782 1 10 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.191 -1.685 25761 4783 1 10 . 1 1 50 50 ARG CB C 50 33.832 33.832 32.684 1.148 25761 4784 1 10 . 1 1 50 50 ARG H H 50 8.168 8.168 8.598 -0.430 25761 4785 1 10 . 1 1 51 51 LEU N N 51 122.400 122.400 119.879 2.521 25761 4786 1 10 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.298 0.976 25761 4787 1 10 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.908 -3.533 25761 4788 1 10 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.081 -0.922 25761 4789 1 10 . 1 1 51 51 LEU H H 51 8.213 8.213 7.940 0.273 25761 4790 1 10 . 1 1 52 52 PHE N N 52 124.579 124.579 122.258 2.321 25761 4791 1 10 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.570 -0.020 25761 4792 1 10 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.559 -1.885 25761 4793 1 10 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.409 -1.790 25761 4794 1 10 . 1 1 52 52 PHE H H 52 9.546 9.546 8.887 0.659 25761 4795 1 10 . 1 1 53 53 SER N N 53 115.953 115.953 116.170 -0.217 25761 4796 1 10 . 1 1 53 53 SER HA H 53 5.267 5.267 5.647 -0.380 25761 4797 1 10 . 1 1 53 53 SER CA C 53 53.513 53.513 56.675 -3.162 25761 4798 1 10 . 1 1 53 53 SER CB C 53 64.255 64.255 66.874 -2.619 25761 4799 1 10 . 1 1 53 53 SER H H 53 9.727 9.727 9.281 0.446 25761 4800 1 10 . 1 1 54 54 GLU N N 54 124.987 124.987 123.325 1.662 25761 4801 1 10 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.769 -1.161 25761 4802 1 10 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.370 -2.054 25761 4803 1 10 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.519 2.158 25761 4804 1 10 . 1 1 54 54 GLU H H 54 8.431 8.431 8.216 0.215 25761 4805 1 10 . 1 1 55 55 ALA N N 55 127.789 127.789 121.695 6.094 25761 4806 1 10 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.450 -0.190 25761 4807 1 10 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.171 -3.166 25761 4808 1 10 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.098 -1.416 25761 4809 1 10 . 1 1 55 55 ALA H H 55 8.430 8.430 7.517 0.913 25761 4810 1 10 . 1 1 56 56 THR N N 56 111.341 111.341 111.608 -0.267 25761 4811 1 10 . 1 1 56 56 THR HA H 56 5.038 5.038 5.379 -0.341 25761 4812 1 10 . 1 1 56 56 THR CA C 56 58.078 58.078 59.817 -1.739 25761 4813 1 10 . 1 1 56 56 THR CB C 56 68.505 68.505 71.529 -3.024 25761 4814 1 10 . 1 1 56 56 THR H H 56 7.923 7.923 7.983 -0.060 25761 4815 1 10 . 1 1 57 57 ARG N N 57 124.295 124.295 121.430 2.865 25761 4816 1 10 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.830 -0.243 25761 4817 1 10 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.970 -2.645 25761 4818 1 10 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.737 -1.070 25761 4819 1 10 . 1 1 57 57 ARG H H 57 9.054 9.054 9.058 -0.004 25761 4820 1 10 . 1 1 58 58 GLY N N 58 109.220 109.220 106.756 2.464 25761 4821 1 10 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.823 -1.227 25761 4822 1 10 . 1 1 58 58 GLY H H 58 8.706 8.706 8.760 -0.054 25761 4823 1 10 . 1 1 59 59 ASP N N 59 120.555 120.555 119.894 0.661 25761 4824 1 10 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.738 -0.152 25761 4825 1 10 . 1 1 59 59 ASP CA C 59 50.369 50.369 52.964 -2.595 25761 4826 1 10 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.840 -3.443 25761 4827 1 10 . 1 1 59 59 ASP H H 59 8.194 8.194 7.527 0.667 25761 4828 1 10 . 1 1 60 60 GLY N N 60 107.833 107.833 108.572 -0.739 25761 4829 1 10 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.702 -2.789 25761 4830 1 10 . 1 1 60 60 GLY H H 60 7.999 7.999 8.026 -0.027 25761 4831 1 10 . 1 1 61 61 GLU N N 61 121.205 121.205 119.484 1.721 25761 4832 1 10 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.434 -0.248 25761 4833 1 10 . 1 1 61 61 GLU CA C 61 53.994 53.994 54.987 -0.993 25761 4834 1 10 . 1 1 61 61 GLU CB C 61 27.931 27.931 31.714 -3.783 25761 4835 1 10 . 1 1 61 61 GLU H H 61 7.910 7.910 7.988 -0.078 25761 4836 1 10 . 1 1 62 62 ARG N N 62 125.261 125.261 126.592 -1.331 25761 4837 1 10 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.958 -0.146 25761 4838 1 10 . 1 1 62 62 ARG CA C 62 52.887 52.887 55.566 -2.679 25761 4839 1 10 . 1 1 62 62 ARG CB C 62 28.918 28.918 32.323 -3.405 25761 4840 1 10 . 1 1 62 62 ARG H H 62 8.219 8.219 8.501 -0.282 25761 4841 1 10 . 1 1 63 63 PHE N N 63 120.777 120.777 118.493 2.284 25761 4842 1 10 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.695 0.184 25761 4843 1 10 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.350 -2.550 25761 4844 1 10 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.156 -0.993 25761 4845 1 10 . 1 1 63 63 PHE H H 63 8.431 8.431 8.190 0.241 25761 4846 1 10 . 1 1 64 64 TRP N N 64 119.550 119.550 120.614 -1.064 25761 4847 1 10 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.352 -0.326 25761 4848 1 10 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.384 -2.195 25761 4849 1 10 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.959 -1.076 25761 4850 1 10 . 1 1 64 64 TRP H H 64 8.914 8.914 8.382 0.532 25761 4851 1 10 . 1 1 65 65 MET N N 65 118.324 118.324 121.046 -2.722 25761 4852 1 10 . 1 1 65 65 MET HA H 65 5.156 5.156 5.127 0.029 25761 4853 1 10 . 1 1 65 65 MET CA C 65 50.438 50.438 53.954 -3.516 25761 4854 1 10 . 1 1 65 65 MET CB C 65 32.296 32.296 35.346 -3.050 25761 4855 1 10 . 1 1 65 65 MET H H 65 9.282 9.282 9.137 0.145 25761 4856 1 10 . 1 1 66 66 GLN N N 66 119.469 119.469 119.335 0.134 25761 4857 1 10 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.860 0.654 25761 4858 1 10 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.729 -2.764 25761 4859 1 10 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.211 0.289 25761 4860 1 10 . 1 1 66 66 GLN H H 66 8.785 8.785 8.876 -0.091 25761 4861 1 10 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.454 -0.333 25761 4862 1 10 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.915 -3.049 25761 4863 1 10 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.194 -2.157 25761 4864 1 10 . 1 1 68 68 VAL N N 68 119.433 119.433 118.185 1.248 25761 4865 1 10 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.281 -0.322 25761 4866 1 10 . 1 1 68 68 VAL CA C 68 57.834 57.834 61.062 -3.228 25761 4867 1 10 . 1 1 68 68 VAL CB C 68 31.032 31.032 33.526 -2.494 25761 4868 1 10 . 1 1 68 68 VAL H H 68 8.464 8.464 7.351 1.113 25761 4869 1 10 . 1 1 69 69 ARG N N 69 127.119 127.119 128.223 -1.104 25761 4870 1 10 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.519 -0.183 25761 4871 1 10 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.831 -4.019 25761 4872 1 10 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.650 -2.727 25761 4873 1 10 . 1 1 69 69 ARG H H 69 8.519 8.519 8.730 -0.211 25761 4874 1 10 . 1 1 70 70 SER N N 70 115.574 115.574 116.512 -0.938 25761 4875 1 10 . 1 1 70 70 SER HA H 70 4.598 4.598 4.662 -0.064 25761 4876 1 10 . 1 1 70 70 SER CA C 70 54.127 54.127 57.080 -2.953 25761 4877 1 10 . 1 1 70 70 SER CB C 70 62.189 62.189 65.264 -3.075 25761 4878 1 10 . 1 1 70 70 SER H H 70 7.955 7.955 7.972 -0.017 25761 4879 1 10 . 1 1 71 71 THR N N 71 114.592 114.592 115.176 -0.584 25761 4880 1 10 . 1 1 71 71 THR HA H 71 5.244 5.244 4.554 0.690 25761 4881 1 10 . 1 1 71 71 THR CA C 71 58.147 58.147 61.344 -3.197 25761 4882 1 10 . 1 1 71 71 THR CB C 71 66.895 66.895 69.507 -2.612 25761 4883 1 10 . 1 1 71 71 THR H H 71 8.285 8.285 8.551 -0.266 25761 4884 1 10 . 1 1 72 72 PHE N N 72 125.101 125.101 122.845 2.256 25761 4885 1 10 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.372 0.569 25761 4886 1 10 . 1 1 72 72 PHE CA C 72 53.135 53.135 56.823 -3.688 25761 4887 1 10 . 1 1 72 72 PHE CB C 72 36.931 36.931 38.894 -1.963 25761 4888 1 10 . 1 1 72 72 PHE H H 72 8.649 8.649 8.376 0.273 25761 4889 1 10 . 1 1 73 73 GLU N N 73 129.014 129.014 125.663 3.351 25761 4890 1 10 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.932 -0.381 25761 4891 1 10 . 1 1 73 73 GLU CA C 73 59.415 59.415 60.733 -1.318 25761 4892 1 10 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.762 6.130 25761 4893 1 10 . 1 1 73 73 GLU H H 73 9.018 9.018 8.667 0.351 25761 4894 1 10 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.277 -2.180 25761 4895 1 10 . 1 1 75 75 ASP N N 75 116.246 116.246 119.884 -3.638 25761 4896 1 10 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.567 -0.117 25761 4897 1 10 . 1 1 75 75 ASP CA C 75 54.550 54.550 57.245 -2.695 25761 4898 1 10 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.501 -2.760 25761 4899 1 10 . 1 1 75 75 ASP H H 75 7.493 7.493 8.124 -0.631 25761 4900 1 10 . 1 1 76 76 LEU N N 76 121.503 121.503 116.900 4.603 25761 4901 1 10 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.370 -0.384 25761 4902 1 10 . 1 1 76 76 LEU CA C 76 54.244 54.244 55.771 -1.527 25761 4903 1 10 . 1 1 76 76 LEU CB C 76 37.239 37.239 41.940 -4.701 25761 4904 1 10 . 1 1 76 76 LEU H H 76 7.651 7.651 7.726 -0.075 25761 4905 1 10 . 1 1 77 77 ASP N N 77 120.554 120.554 120.632 -0.078 25761 4906 1 10 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.672 -0.381 25761 4907 1 10 . 1 1 77 77 ASP CA C 77 54.695 54.695 56.791 -2.096 25761 4908 1 10 . 1 1 77 77 ASP CB C 77 37.194 37.194 42.248 -5.054 25761 4909 1 10 . 1 1 77 77 ASP H H 77 8.117 8.117 7.688 0.429 25761 4910 1 10 . 1 1 78 78 ALA N N 78 121.953 121.953 123.135 -1.182 25761 4911 1 10 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.277 -0.134 25761 4912 1 10 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.551 -2.181 25761 4913 1 10 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.480 -3.081 25761 4914 1 10 . 1 1 78 78 ALA H H 78 7.904 7.904 8.250 -0.346 25761 4915 1 10 . 1 1 79 79 TYR N N 79 119.746 119.746 120.387 -0.641 25761 4916 1 10 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.030 -0.141 25761 4917 1 10 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.873 -2.488 25761 4918 1 10 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.155 -2.344 25761 4919 1 10 . 1 1 79 79 TYR H H 79 7.422 7.422 7.817 -0.395 25761 4920 1 10 . 1 1 80 80 ALA N N 80 122.107 122.107 120.038 2.069 25761 4921 1 10 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.095 -0.325 25761 4922 1 10 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.150 -2.620 25761 4923 1 10 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.217 -2.839 25761 4924 1 10 . 1 1 80 80 ALA H H 80 8.376 8.376 8.099 0.277 25761 4925 1 10 . 1 1 81 81 GLU N N 81 118.620 118.620 118.570 0.050 25761 4926 1 10 . 1 1 81 81 GLU HA H 81 3.844 3.844 3.986 -0.142 25761 4927 1 10 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.133 -2.420 25761 4928 1 10 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.509 -2.630 25761 4929 1 10 . 1 1 81 81 GLU H H 81 8.149 8.149 7.667 0.482 25761 4930 1 10 . 1 1 82 82 ARG N N 82 120.032 120.032 119.579 0.453 25761 4931 1 10 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.056 -0.308 25761 4932 1 10 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.834 -2.047 25761 4933 1 10 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.374 -5.221 25761 4934 1 10 . 1 1 82 82 ARG H H 82 7.535 7.535 8.030 -0.495 25761 4935 1 10 . 1 1 83 83 ALA N N 83 122.089 122.089 120.810 1.279 25761 4936 1 10 . 1 1 83 83 ALA HA H 83 3.708 3.708 4.028 -0.320 25761 4937 1 10 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.890 -2.565 25761 4938 1 10 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.764 -3.095 25761 4939 1 10 . 1 1 83 83 ALA H H 83 8.467 8.467 8.191 0.276 25761 4940 1 10 . 1 1 84 84 ALA N N 84 118.529 118.529 116.749 1.780 25761 4941 1 10 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.535 -0.293 25761 4942 1 10 . 1 1 84 84 ALA CA C 84 49.989 49.989 51.668 -1.679 25761 4943 1 10 . 1 1 84 84 ALA CB C 84 15.181 15.181 17.844 -2.663 25761 4944 1 10 . 1 1 84 84 ALA H H 84 7.517 7.517 7.616 -0.099 25761 4945 1 10 . 1 1 85 85 ARG N N 85 117.478 117.478 117.800 -0.322 25761 4946 1 10 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.377 -0.390 25761 4947 1 10 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.456 -1.765 25761 4948 1 10 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.583 -3.997 25761 4949 1 10 . 1 1 85 85 ARG H H 85 7.278 7.278 7.753 -0.475 25761 4950 1 10 . 1 1 86 86 ILE N N 86 118.079 118.079 118.791 -0.712 25761 4951 1 10 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.202 -0.456 25761 4952 1 10 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.736 -1.205 25761 4953 1 10 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.486 -3.273 25761 4954 1 10 . 1 1 86 86 ILE H H 86 7.286 7.286 7.550 -0.264 25761 4955 1 10 . 1 1 87 87 ASP N N 87 117.833 117.833 121.410 -3.577 25761 4956 1 10 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.017 -0.037 25761 4957 1 10 . 1 1 87 87 ASP CA C 87 47.642 47.642 52.014 -4.372 25761 4958 1 10 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.596 -2.420 25761 4959 1 10 . 1 1 87 87 ASP H H 87 7.973 7.973 7.805 0.168 25761 4960 1 10 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.290 0.351 25761 4961 1 10 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.493 -3.944 25761 4962 1 10 . 1 1 88 88 PRO CB C 88 29.559 29.559 31.906 -2.347 25761 4963 1 10 . 1 1 89 89 ASP N N 89 120.189 120.189 118.050 2.139 25761 4964 1 10 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.657 0.029 25761 4965 1 10 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.390 -1.017 25761 4966 1 10 . 1 1 89 89 ASP H H 89 7.960 7.960 8.579 -0.619 25761 4967 1 10 . 1 1 90 90 ILE N N 90 120.372 120.372 120.505 -0.133 25761 4968 1 10 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.586 -0.031 25761 4969 1 10 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.871 -0.849 25761 4970 1 10 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.227 -2.029 25761 4971 1 10 . 1 1 90 90 ILE H H 90 7.234 7.234 7.269 -0.035 25761 4972 1 10 . 1 1 91 91 TRP N N 91 122.596 122.596 124.907 -2.311 25761 4973 1 10 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.909 -0.020 25761 4974 1 10 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.440 -3.773 25761 4975 1 10 . 1 1 91 91 TRP CB C 91 28.630 28.630 32.390 -3.760 25761 4976 1 10 . 1 1 91 91 TRP H H 91 9.295 9.295 9.206 0.089 25761 4977 1 10 . 1 1 92 92 VAL N N 92 118.958 118.958 120.960 -2.002 25761 4978 1 10 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.795 0.353 25761 4979 1 10 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.695 -2.298 25761 4980 1 10 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.877 -2.051 25761 4981 1 10 . 1 1 92 92 VAL H H 92 9.040 9.040 8.821 0.219 25761 4982 1 10 . 1 1 93 93 VAL N N 93 129.129 129.129 127.806 1.323 25761 4983 1 10 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.670 0.099 25761 4984 1 10 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.912 -3.597 25761 4985 1 10 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.837 -1.289 25761 4986 1 10 . 1 1 93 93 VAL H H 93 9.201 9.201 9.224 -0.023 25761 4987 1 10 . 1 1 94 94 GLU N N 94 126.192 126.192 127.647 -1.455 25761 4988 1 10 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.786 0.626 25761 4989 1 10 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.222 -2.458 25761 4990 1 10 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.647 -2.063 25761 4991 1 10 . 1 1 94 94 GLU H H 94 9.161 9.161 8.648 0.513 25761 4992 1 10 . 1 1 95 95 ILE N N 95 125.285 125.285 127.131 -1.846 25761 4993 1 10 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.403 0.368 25761 4994 1 10 . 1 1 95 95 ILE CA C 95 57.319 57.319 60.493 -3.174 25761 4995 1 10 . 1 1 95 95 ILE CB C 95 38.475 38.475 39.239 -0.764 25761 4996 1 10 . 1 1 95 95 ILE H H 95 9.347 9.347 8.062 1.285 25761 4997 1 10 . 1 1 96 96 GLU N N 96 128.539 128.539 128.588 -0.049 25761 4998 1 10 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.638 0.517 25761 4999 1 10 . 1 1 96 96 GLU CA C 96 52.551 52.551 56.576 -4.025 25761 5000 1 10 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.088 -2.027 25761 5001 1 10 . 1 1 96 96 GLU H H 96 9.390 9.390 8.373 1.017 25761 5002 1 10 . 1 1 97 97 ASP N N 97 123.516 123.516 124.711 -1.195 25761 5003 1 10 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.996 0.323 25761 5004 1 10 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.121 -1.352 25761 5005 1 10 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.039 1.798 25761 5006 1 10 . 1 1 97 97 ASP H H 97 8.582 8.582 8.614 -0.032 25761 5007 1 10 . 1 1 98 98 ARG N N 98 127.597 127.597 120.936 6.661 25761 5008 1 10 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.426 -0.355 25761 5009 1 10 . 1 1 98 98 ARG CA C 98 56.486 56.486 56.937 -0.451 25761 5010 1 10 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.821 -3.251 25761 5011 1 10 . 1 1 98 98 ARG H H 98 8.914 8.914 8.713 0.202 25761 5012 1 10 . 1 1 99 99 ASP N N 99 115.196 115.196 117.729 -2.533 25761 5013 1 10 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.761 0.217 25761 5014 1 10 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.225 -2.217 25761 5015 1 10 . 1 1 99 99 ASP CB C 99 39.782 39.782 41.824 -2.042 25761 5016 1 10 . 1 1 99 99 ASP H H 99 7.379 7.379 8.368 -0.989 25761 5017 1 10 . 1 1 100 100 GLY N N 100 106.976 106.976 108.467 -1.491 25761 5018 1 10 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.149 -1.516 25761 5019 1 10 . 1 1 100 100 GLY H H 100 7.481 7.481 7.873 -0.392 25761 5020 1 10 . 1 1 101 101 ARG N N 101 120.072 120.072 118.176 1.896 25761 5021 1 10 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.172 -0.730 25761 5022 1 10 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.199 -2.012 25761 5023 1 10 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.235 -3.376 25761 5024 1 10 . 1 1 101 101 ARG H H 101 8.798 8.798 8.504 0.294 25761 5025 1 10 . 1 1 102 102 HIS N N 102 112.990 112.990 114.430 -1.440 25761 5026 1 10 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.732 -0.379 25761 5027 1 10 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.666 -3.983 25761 5028 1 10 . 1 1 102 102 HIS CB C 102 29.524 29.524 31.279 -1.755 25761 5029 1 10 . 1 1 102 102 HIS H H 102 5.928 5.928 7.990 -2.062 25761 5030 1 10 . 1 1 103 103 PHE N N 103 106.623 106.623 116.319 -9.696 25761 5031 1 10 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.057 -0.664 25761 5032 1 10 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.393 -1.518 25761 5033 1 10 . 1 1 103 103 PHE CB C 103 33.351 33.351 37.627 -4.276 25761 5034 1 10 . 1 1 103 103 PHE H H 103 6.660 6.660 7.394 -0.734 25761 5035 1 10 . 1 1 104 104 LEU N N 104 123.743 123.743 119.109 4.634 25761 5036 1 10 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.285 -0.037 25761 5037 1 10 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.255 -2.405 25761 5038 1 10 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.132 -3.874 25761 5039 1 10 . 1 1 104 104 LEU H H 104 10.737 10.737 7.728 3.009 25761 5040 1 10 . 1 1 105 105 THR N N 105 113.822 113.822 114.465 -0.643 25761 5041 1 10 . 1 1 105 105 THR HA H 105 4.313 4.313 4.131 0.182 25761 5042 1 10 . 1 1 105 105 THR CA C 105 59.658 59.658 63.385 -3.727 25761 5043 1 10 . 1 1 105 105 THR CB C 105 66.210 66.210 69.092 -2.882 25761 5044 1 10 . 1 1 105 105 THR H H 105 9.213 9.213 8.495 0.718 25761 5045 1 10 . 1 1 106 106 GLU N N 106 123.871 123.871 121.523 2.348 25761 5046 1 10 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.450 0.163 25761 5047 1 10 . 1 1 106 106 GLU CB C 106 24.135 24.135 29.419 -5.284 25761 5048 1 10 . 1 1 106 106 GLU H H 106 7.734 7.734 8.207 -0.473 25761 5049 1 10 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.367 -0.103 25761 5050 1 10 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.094 -1.630 25761 5051 1 10 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.226 -2.423 25761 5052 1 10 . 1 1 108 108 VAL N N 108 120.628 120.628 124.214 -3.586 25761 5053 1 10 . 1 1 108 108 VAL CA C 108 57.808 57.808 59.908 -2.100 25761 5054 1 10 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.743 -1.553 25761 5055 1 10 . 1 1 108 108 VAL H H 108 8.137 8.137 8.266 -0.129 25761 5056 1 10 . 1 1 109 109 GLU N N 109 128.850 128.850 128.171 0.679 25761 5057 1 10 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.312 0.127 25761 5058 1 10 . 1 1 109 109 GLU CA C 109 53.908 53.908 57.439 -3.531 25761 5059 1 10 . 1 1 109 109 GLU CB C 109 28.447 28.447 30.939 -2.493 25761 5060 1 10 . 1 1 109 109 GLU H H 109 9.095 9.095 8.939 0.156 25761 5061 1 11 . 1 1 2 2 MET HA H 2 4.380 4.380 5.265 -0.885 25761 5062 1 11 . 1 1 2 2 MET CA C 2 52.819 52.819 54.517 -1.698 25761 5063 1 11 . 1 1 2 2 MET CB C 2 30.830 30.830 34.081 -3.251 25761 5064 1 11 . 1 1 3 3 LEU N N 3 123.960 123.960 122.909 1.051 25761 5065 1 11 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.702 -0.412 25761 5066 1 11 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.811 -2.141 25761 5067 1 11 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.852 -1.923 25761 5068 1 11 . 1 1 3 3 LEU H H 3 8.399 8.399 8.538 -0.139 25761 5069 1 11 . 1 1 4 4 LEU N N 4 123.372 123.372 122.358 1.014 25761 5070 1 11 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.096 0.361 25761 5071 1 11 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.266 -3.619 25761 5072 1 11 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.442 -1.440 25761 5073 1 11 . 1 1 4 4 LEU H H 4 8.134 8.134 7.596 0.538 25761 5074 1 11 . 1 1 5 5 SER N N 5 117.439 117.439 113.141 4.298 25761 5075 1 11 . 1 1 5 5 SER HA H 5 4.628 4.628 4.712 -0.084 25761 5076 1 11 . 1 1 5 5 SER CA C 5 56.192 56.192 56.478 -0.286 25761 5077 1 11 . 1 1 5 5 SER CB C 5 61.291 61.291 65.374 -4.083 25761 5078 1 11 . 1 1 5 5 SER H H 5 8.075 8.075 7.544 0.531 25761 5079 1 11 . 1 1 6 6 THR N N 6 121.297 121.297 118.849 2.448 25761 5080 1 11 . 1 1 6 6 THR HA H 6 3.713 3.713 3.952 -0.239 25761 5081 1 11 . 1 1 6 6 THR CA C 6 64.981 64.981 66.917 -1.936 25761 5082 1 11 . 1 1 6 6 THR CB C 6 65.860 65.860 68.577 -2.717 25761 5083 1 11 . 1 1 6 6 THR H H 6 7.681 7.681 8.588 -0.907 25761 5084 1 11 . 1 1 7 7 ASP N N 7 119.550 119.550 120.917 -1.367 25761 5085 1 11 . 1 1 7 7 ASP HA H 7 3.742 3.742 4.176 -0.434 25761 5086 1 11 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.068 -2.071 25761 5087 1 11 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.792 -4.000 25761 5088 1 11 . 1 1 7 7 ASP H H 7 9.044 9.044 7.812 1.232 25761 5089 1 11 . 1 1 8 8 ILE N N 8 123.495 123.495 119.436 4.059 25761 5090 1 11 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.725 -0.004 25761 5091 1 11 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.928 -2.953 25761 5092 1 11 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.802 -1.675 25761 5093 1 11 . 1 1 8 8 ILE H H 8 7.749 7.749 7.372 0.377 25761 5094 1 11 . 1 1 9 9 TRP N N 9 124.446 124.446 119.886 4.560 25761 5095 1 11 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.400 -0.556 25761 5096 1 11 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.365 -0.229 25761 5097 1 11 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.577 -1.602 25761 5098 1 11 . 1 1 9 9 TRP H H 9 8.232 8.232 7.247 0.985 25761 5099 1 11 . 1 1 10 10 VAL N N 10 121.207 121.207 119.902 1.305 25761 5100 1 11 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.487 -0.322 25761 5101 1 11 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.645 -2.410 25761 5102 1 11 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.114 -2.098 25761 5103 1 11 . 1 1 10 10 VAL H H 10 9.240 9.240 7.959 1.281 25761 5104 1 11 . 1 1 11 11 ALA N N 11 120.679 120.679 122.345 -1.666 25761 5105 1 11 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.907 -0.058 25761 5106 1 11 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.441 -2.962 25761 5107 1 11 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.056 -2.911 25761 5108 1 11 . 1 1 11 11 ALA H H 11 7.718 7.718 8.263 -0.545 25761 5109 1 11 . 1 1 12 12 ALA N N 12 120.217 120.217 121.383 -1.166 25761 5110 1 11 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.113 -0.208 25761 5111 1 11 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.631 -2.635 25761 5112 1 11 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.411 -3.472 25761 5113 1 11 . 1 1 12 12 ALA H H 12 7.642 7.642 7.477 0.165 25761 5114 1 11 . 1 1 13 13 LEU N N 13 122.821 122.821 121.400 1.421 25761 5115 1 11 . 1 1 13 13 LEU HA H 13 3.545 3.545 3.996 -0.451 25761 5116 1 11 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.959 -2.418 25761 5117 1 11 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.874 -3.425 25761 5118 1 11 . 1 1 13 13 LEU H H 13 7.320 7.320 8.215 -0.895 25761 5119 1 11 . 1 1 14 14 ILE N N 14 117.258 117.258 118.148 -0.890 25761 5120 1 11 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.598 -0.546 25761 5121 1 11 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.197 -1.992 25761 5122 1 11 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.617 -1.840 25761 5123 1 11 . 1 1 14 14 ILE H H 14 8.105 8.105 8.632 -0.527 25761 5124 1 11 . 1 1 15 15 ARG N N 15 117.921 117.921 119.453 -1.532 25761 5125 1 11 . 1 1 15 15 ARG HA H 15 3.960 3.960 4.055 -0.095 25761 5126 1 11 . 1 1 15 15 ARG CA C 15 56.068 56.068 58.562 -2.494 25761 5127 1 11 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.831 -2.530 25761 5128 1 11 . 1 1 15 15 ARG H H 15 7.574 7.574 7.911 -0.337 25761 5129 1 11 . 1 1 16 16 ARG N N 16 118.635 118.635 118.304 0.331 25761 5130 1 11 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.215 -0.514 25761 5131 1 11 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.160 -0.506 25761 5132 1 11 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.699 -1.568 25761 5133 1 11 . 1 1 16 16 ARG H H 16 7.832 7.832 8.325 -0.493 25761 5134 1 11 . 1 1 17 17 ALA N N 17 122.335 122.335 123.281 -0.946 25761 5135 1 11 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.907 0.145 25761 5136 1 11 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.143 8.217 25761 5137 1 11 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.829 -2.276 25761 5138 1 11 . 1 1 17 17 ALA H H 17 7.856 7.856 8.028 -0.172 25761 5139 1 11 . 1 1 18 18 GLU N N 18 118.223 118.223 119.120 -0.897 25761 5140 1 11 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.158 -0.167 25761 5141 1 11 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.531 -2.042 25761 5142 1 11 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.297 -2.511 25761 5143 1 11 . 1 1 18 18 GLU H H 18 8.303 8.303 7.777 0.526 25761 5144 1 11 . 1 1 19 19 LEU N N 19 122.454 122.454 120.802 1.652 25761 5145 1 11 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.010 -0.006 25761 5146 1 11 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.678 -1.821 25761 5147 1 11 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.938 -2.823 25761 5148 1 11 . 1 1 19 19 LEU H H 19 8.402 8.402 7.652 0.750 25761 5149 1 11 . 1 1 20 20 GLY N N 20 105.446 105.446 104.961 0.485 25761 5150 1 11 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.266 -2.523 25761 5151 1 11 . 1 1 20 20 GLY H H 20 7.468 7.468 7.950 -0.482 25761 5152 1 11 . 1 1 21 21 GLY N N 21 107.714 107.714 108.059 -0.345 25761 5153 1 11 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.572 -1.946 25761 5154 1 11 . 1 1 21 21 GLY H H 21 7.754 7.754 7.736 0.018 25761 5155 1 11 . 1 1 22 22 ALA N N 22 123.725 123.725 123.392 0.333 25761 5156 1 11 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.357 0.307 25761 5157 1 11 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.640 -3.402 25761 5158 1 11 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.428 -1.145 25761 5159 1 11 . 1 1 22 22 ALA H H 22 8.012 8.012 7.506 0.506 25761 5160 1 11 . 1 1 23 23 PHE N N 23 117.564 117.564 121.149 -3.585 25761 5161 1 11 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.641 0.198 25761 5162 1 11 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.721 -3.958 25761 5163 1 11 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.095 -2.439 25761 5164 1 11 . 1 1 23 23 PHE H H 23 8.128 8.128 8.013 0.115 25761 5165 1 11 . 1 1 24 24 ALA N N 24 128.638 128.638 129.033 -0.395 25761 5166 1 11 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.431 0.021 25761 5167 1 11 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.839 -3.328 25761 5168 1 11 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.321 -0.943 25761 5169 1 11 . 1 1 24 24 ALA H H 24 8.542 8.542 8.050 0.492 25761 5170 1 11 . 1 1 25 25 THR N N 25 115.207 115.207 114.409 0.798 25761 5171 1 11 . 1 1 25 25 THR HA H 25 4.394 4.394 4.366 0.028 25761 5172 1 11 . 1 1 25 25 THR CA C 25 57.830 57.830 61.593 -3.763 25761 5173 1 11 . 1 1 25 25 THR CB C 25 69.095 69.095 70.542 -1.447 25761 5174 1 11 . 1 1 25 25 THR H H 25 9.003 9.003 8.433 0.570 25761 5175 1 11 . 1 1 26 26 VAL N N 26 125.712 125.712 122.925 2.787 25761 5176 1 11 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.552 -0.370 25761 5177 1 11 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.759 -1.273 25761 5178 1 11 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.775 -4.227 25761 5179 1 11 . 1 1 26 26 VAL H H 26 8.739 8.739 8.387 0.352 25761 5180 1 11 . 1 1 27 27 ALA N N 27 134.206 134.206 131.901 2.305 25761 5181 1 11 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.581 -0.336 25761 5182 1 11 . 1 1 27 27 ALA CA C 27 50.742 50.742 51.812 -1.070 25761 5183 1 11 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.665 -4.134 25761 5184 1 11 . 1 1 27 27 ALA H H 27 8.412 8.412 9.363 -0.951 25761 5185 1 11 . 1 1 28 28 ARG N N 28 117.751 117.751 118.057 -0.306 25761 5186 1 11 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.346 -0.138 25761 5187 1 11 . 1 1 28 28 ARG CA C 28 53.658 53.658 56.209 -2.551 25761 5188 1 11 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.803 -2.803 25761 5189 1 11 . 1 1 28 28 ARG H H 28 8.090 8.090 7.664 0.426 25761 5190 1 11 . 1 1 29 29 LYS N N 29 128.417 128.417 123.863 4.554 25761 5191 1 11 . 1 1 29 29 LYS HA H 29 3.109 3.109 2.693 0.416 25761 5192 1 11 . 1 1 29 29 LYS CA C 29 52.792 52.792 53.687 -0.895 25761 5193 1 11 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.304 -2.015 25761 5194 1 11 . 1 1 29 29 LYS H H 29 8.536 8.536 8.412 0.124 25761 5195 1 11 . 1 1 30 30 GLY CA C 30 40.858 40.858 44.910 -4.052 25761 5196 1 11 . 1 1 31 31 ASP N N 31 120.477 120.477 124.634 -4.157 25761 5197 1 11 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.199 0.305 25761 5198 1 11 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.891 -2.254 25761 5199 1 11 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.232 -0.882 25761 5200 1 11 . 1 1 31 31 ASP H H 31 8.445 8.445 8.188 0.257 25761 5201 1 11 . 1 1 32 32 ALA N N 32 133.865 133.865 128.628 5.237 25761 5202 1 11 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.353 0.016 25761 5203 1 11 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.812 -1.525 25761 5204 1 11 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.122 -2.067 25761 5205 1 11 . 1 1 32 32 ALA H H 32 9.236 9.236 8.888 0.348 25761 5206 1 11 . 1 1 33 33 ARG N N 33 113.991 113.991 118.596 -4.605 25761 5207 1 11 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.102 0.312 25761 5208 1 11 . 1 1 33 33 ARG CA C 33 55.785 55.785 59.388 -3.603 25761 5209 1 11 . 1 1 33 33 ARG CB C 33 28.183 28.183 30.936 -2.753 25761 5210 1 11 . 1 1 33 33 ARG H H 33 7.913 7.913 8.031 -0.118 25761 5211 1 11 . 1 1 34 34 ALA N N 34 120.593 120.593 118.221 2.372 25761 5212 1 11 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.833 -0.159 25761 5213 1 11 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.645 -2.109 25761 5214 1 11 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.163 -2.349 25761 5215 1 11 . 1 1 34 34 ALA H H 34 8.306 8.306 8.144 0.162 25761 5216 1 11 . 1 1 35 35 GLY N N 35 107.349 107.349 108.552 -1.203 25761 5217 1 11 . 1 1 35 35 GLY CA C 35 44.450 44.450 45.390 -0.940 25761 5218 1 11 . 1 1 35 35 GLY H H 35 7.715 7.715 8.213 -0.498 25761 5219 1 11 . 1 1 36 36 ALA N N 36 127.073 127.073 123.277 3.796 25761 5220 1 11 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.644 -0.286 25761 5221 1 11 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.531 -2.390 25761 5222 1 11 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.482 -3.515 25761 5223 1 11 . 1 1 36 36 ALA H H 36 8.935 8.935 7.993 0.942 25761 5224 1 11 . 1 1 37 37 VAL N N 37 116.903 116.903 118.108 -1.205 25761 5225 1 11 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.324 -0.575 25761 5226 1 11 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.453 -1.871 25761 5227 1 11 . 1 1 37 37 VAL H H 37 7.830 7.830 8.214 -0.384 25761 5228 1 11 . 1 1 38 38 LEU N N 38 126.366 126.366 126.101 0.265 25761 5229 1 11 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.333 0.198 25761 5230 1 11 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.502 -2.627 25761 5231 1 11 . 1 1 38 38 LEU CB C 38 41.970 41.970 45.137 -3.167 25761 5232 1 11 . 1 1 38 38 LEU H H 38 8.926 8.926 8.839 0.087 25761 5233 1 11 . 1 1 39 39 VAL N N 39 121.843 121.843 122.135 -0.292 25761 5234 1 11 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.581 0.298 25761 5235 1 11 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.195 -2.852 25761 5236 1 11 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.590 -0.398 25761 5237 1 11 . 1 1 39 39 VAL H H 39 8.819 8.819 9.041 -0.222 25761 5238 1 11 . 1 1 40 40 LYS N N 40 129.592 129.592 129.056 0.536 25761 5239 1 11 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.593 0.686 25761 5240 1 11 . 1 1 40 40 LYS CA C 40 47.991 47.991 55.893 -7.902 25761 5241 1 11 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.422 -2.740 25761 5242 1 11 . 1 1 40 40 LYS H H 40 9.438 9.438 8.233 1.205 25761 5243 1 11 . 1 1 41 41 ALA N N 41 131.659 131.659 129.043 2.616 25761 5244 1 11 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.357 -0.108 25761 5245 1 11 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.763 1.053 25761 5246 1 11 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.454 -4.809 25761 5247 1 11 . 1 1 41 41 ALA H H 41 9.349 9.349 8.816 0.533 25761 5248 1 11 . 1 1 42 42 VAL N N 42 127.668 127.668 123.020 4.648 25761 5249 1 11 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.275 -0.006 25761 5250 1 11 . 1 1 42 42 VAL CA C 42 59.621 59.621 60.789 -1.168 25761 5251 1 11 . 1 1 42 42 VAL CB C 42 31.878 31.878 35.073 -3.195 25761 5252 1 11 . 1 1 42 42 VAL H H 42 9.517 9.517 8.503 1.014 25761 5253 1 11 . 1 1 43 43 ASP N N 43 127.524 127.524 126.032 1.492 25761 5254 1 11 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.113 -0.227 25761 5255 1 11 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.747 -4.117 25761 5256 1 11 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.370 -1.843 25761 5257 1 11 . 1 1 43 43 ASP H H 43 8.821 8.821 8.834 -0.013 25761 5258 1 11 . 1 1 44 44 ARG N N 44 123.676 123.676 124.406 -0.730 25761 5259 1 11 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.029 0.066 25761 5260 1 11 . 1 1 44 44 ARG CA C 44 54.671 54.671 58.196 -3.525 25761 5261 1 11 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.064 -1.970 25761 5262 1 11 . 1 1 44 44 ARG H H 44 8.435 8.435 8.710 -0.275 25761 5263 1 11 . 1 1 45 45 ARG N N 45 120.486 120.486 118.725 1.761 25761 5264 1 11 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.102 0.029 25761 5265 1 11 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.762 -2.155 25761 5266 1 11 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.357 -2.293 25761 5267 1 11 . 1 1 45 45 ARG H H 45 8.551 8.551 8.100 0.451 25761 5268 1 11 . 1 1 46 46 GLU N N 46 116.189 116.189 115.345 0.844 25761 5269 1 11 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.412 -0.159 25761 5270 1 11 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.282 -2.844 25761 5271 1 11 . 1 1 46 46 GLU CB C 46 28.616 28.616 31.630 -3.014 25761 5272 1 11 . 1 1 46 46 GLU H H 46 7.918 7.918 7.789 0.129 25761 5273 1 11 . 1 1 47 47 GLY N N 47 108.218 108.218 109.382 -1.164 25761 5274 1 11 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.408 -1.438 25761 5275 1 11 . 1 1 47 47 GLY H H 47 8.159 8.159 8.729 -0.570 25761 5276 1 11 . 1 1 48 48 THR N N 48 109.683 109.683 111.946 -2.263 25761 5277 1 11 . 1 1 48 48 THR HA H 48 4.639 4.639 4.250 0.389 25761 5278 1 11 . 1 1 48 48 THR CA C 48 57.215 57.215 61.249 -4.034 25761 5279 1 11 . 1 1 48 48 THR CB C 48 69.275 69.275 69.678 -0.403 25761 5280 1 11 . 1 1 48 48 THR H H 48 7.485 7.485 7.397 0.088 25761 5281 1 11 . 1 1 49 49 ALA N N 49 122.571 122.571 123.313 -0.742 25761 5282 1 11 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.776 0.380 25761 5283 1 11 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.122 -3.111 25761 5284 1 11 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.693 -1.689 25761 5285 1 11 . 1 1 49 49 ALA H H 49 8.530 8.530 8.375 0.155 25761 5286 1 11 . 1 1 50 50 ARG N N 50 115.654 115.654 120.162 -4.508 25761 5287 1 11 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.632 0.008 25761 5288 1 11 . 1 1 50 50 ARG CA C 50 51.506 51.506 55.033 -3.527 25761 5289 1 11 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.585 -0.753 25761 5290 1 11 . 1 1 50 50 ARG H H 50 8.168 8.168 8.767 -0.599 25761 5291 1 11 . 1 1 51 51 LEU N N 51 122.400 122.400 122.040 0.360 25761 5292 1 11 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.552 0.722 25761 5293 1 11 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.958 -3.582 25761 5294 1 11 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.509 -1.350 25761 5295 1 11 . 1 1 51 51 LEU H H 51 8.213 8.213 8.241 -0.028 25761 5296 1 11 . 1 1 52 52 PHE N N 52 124.579 124.579 122.131 2.448 25761 5297 1 11 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.679 -0.129 25761 5298 1 11 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.654 -1.980 25761 5299 1 11 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.058 -2.439 25761 5300 1 11 . 1 1 52 52 PHE H H 52 9.546 9.546 9.049 0.497 25761 5301 1 11 . 1 1 53 53 SER N N 53 115.953 115.953 115.583 0.370 25761 5302 1 11 . 1 1 53 53 SER HA H 53 5.267 5.267 5.479 -0.212 25761 5303 1 11 . 1 1 53 53 SER CA C 53 53.513 53.513 56.449 -2.936 25761 5304 1 11 . 1 1 53 53 SER CB C 53 64.255 64.255 66.006 -1.751 25761 5305 1 11 . 1 1 53 53 SER H H 53 9.727 9.727 9.167 0.560 25761 5306 1 11 . 1 1 54 54 GLU N N 54 124.987 124.987 126.704 -1.717 25761 5307 1 11 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.487 -0.879 25761 5308 1 11 . 1 1 54 54 GLU CA C 54 53.317 53.317 54.627 -1.310 25761 5309 1 11 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.052 2.625 25761 5310 1 11 . 1 1 54 54 GLU H H 54 8.431 8.431 8.125 0.306 25761 5311 1 11 . 1 1 55 55 ALA N N 55 127.789 127.789 120.572 7.217 25761 5312 1 11 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.288 -0.028 25761 5313 1 11 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.177 -3.172 25761 5314 1 11 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.108 -1.426 25761 5315 1 11 . 1 1 55 55 ALA H H 55 8.430 8.430 7.377 1.053 25761 5316 1 11 . 1 1 56 56 THR N N 56 111.341 111.341 111.358 -0.017 25761 5317 1 11 . 1 1 56 56 THR HA H 56 5.038 5.038 5.254 -0.216 25761 5318 1 11 . 1 1 56 56 THR CA C 56 58.078 58.078 60.343 -2.265 25761 5319 1 11 . 1 1 56 56 THR CB C 56 68.505 68.505 71.348 -2.843 25761 5320 1 11 . 1 1 56 56 THR H H 56 7.923 7.923 8.089 -0.166 25761 5321 1 11 . 1 1 57 57 ARG N N 57 124.295 124.295 123.539 0.756 25761 5322 1 11 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.503 0.084 25761 5323 1 11 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.798 -3.473 25761 5324 1 11 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.974 -1.307 25761 5325 1 11 . 1 1 57 57 ARG H H 57 9.054 9.054 9.012 0.042 25761 5326 1 11 . 1 1 58 58 GLY N N 58 109.220 109.220 107.514 1.706 25761 5327 1 11 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.883 -1.288 25761 5328 1 11 . 1 1 58 58 GLY H H 58 8.706 8.706 8.764 -0.058 25761 5329 1 11 . 1 1 59 59 ASP N N 59 120.555 120.555 119.125 1.430 25761 5330 1 11 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.687 -0.101 25761 5331 1 11 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.522 -3.153 25761 5332 1 11 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.302 -3.905 25761 5333 1 11 . 1 1 59 59 ASP H H 59 8.194 8.194 7.477 0.717 25761 5334 1 11 . 1 1 60 60 GLY N N 60 107.833 107.833 109.144 -1.311 25761 5335 1 11 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.948 -3.035 25761 5336 1 11 . 1 1 60 60 GLY H H 60 7.999 7.999 8.011 -0.012 25761 5337 1 11 . 1 1 61 61 GLU N N 61 121.205 121.205 119.900 1.305 25761 5338 1 11 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.160 0.026 25761 5339 1 11 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.621 -2.627 25761 5340 1 11 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.010 -2.079 25761 5341 1 11 . 1 1 61 61 GLU H H 61 7.910 7.910 8.095 -0.185 25761 5342 1 11 . 1 1 62 62 ARG N N 62 125.261 125.261 128.272 -3.011 25761 5343 1 11 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.909 -0.097 25761 5344 1 11 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.581 -3.694 25761 5345 1 11 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.768 -2.850 25761 5346 1 11 . 1 1 62 62 ARG H H 62 8.219 8.219 8.292 -0.073 25761 5347 1 11 . 1 1 63 63 PHE N N 63 120.777 120.777 117.886 2.891 25761 5348 1 11 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.896 -0.017 25761 5349 1 11 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.581 -2.781 25761 5350 1 11 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.141 -0.978 25761 5351 1 11 . 1 1 63 63 PHE H H 63 8.431 8.431 8.080 0.351 25761 5352 1 11 . 1 1 64 64 TRP N N 64 119.550 119.550 120.657 -1.107 25761 5353 1 11 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.225 -0.199 25761 5354 1 11 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.629 -2.440 25761 5355 1 11 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.540 -0.657 25761 5356 1 11 . 1 1 64 64 TRP H H 64 8.914 8.914 8.782 0.132 25761 5357 1 11 . 1 1 65 65 MET N N 65 118.324 118.324 120.758 -2.434 25761 5358 1 11 . 1 1 65 65 MET HA H 65 5.156 5.156 4.941 0.215 25761 5359 1 11 . 1 1 65 65 MET CA C 65 50.438 50.438 55.404 -4.965 25761 5360 1 11 . 1 1 65 65 MET CB C 65 32.296 32.296 34.076 -1.780 25761 5361 1 11 . 1 1 65 65 MET H H 65 9.282 9.282 8.796 0.486 25761 5362 1 11 . 1 1 66 66 GLN N N 66 119.469 119.469 118.520 0.949 25761 5363 1 11 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.076 0.438 25761 5364 1 11 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.087 -2.122 25761 5365 1 11 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.844 -0.344 25761 5366 1 11 . 1 1 66 66 GLN H H 66 8.785 8.785 8.789 -0.004 25761 5367 1 11 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.385 -0.264 25761 5368 1 11 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.920 -3.054 25761 5369 1 11 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.023 -1.986 25761 5370 1 11 . 1 1 68 68 VAL N N 68 119.433 119.433 119.463 -0.030 25761 5371 1 11 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.190 -0.231 25761 5372 1 11 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.610 -2.776 25761 5373 1 11 . 1 1 68 68 VAL CB C 68 31.032 31.032 34.026 -2.994 25761 5374 1 11 . 1 1 68 68 VAL H H 68 8.464 8.464 7.532 0.932 25761 5375 1 11 . 1 1 69 69 ARG N N 69 127.119 127.119 126.224 0.895 25761 5376 1 11 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.473 -0.137 25761 5377 1 11 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.456 -3.644 25761 5378 1 11 . 1 1 69 69 ARG CB C 69 25.923 25.923 30.126 -4.203 25761 5379 1 11 . 1 1 69 69 ARG H H 69 8.519 8.519 8.309 0.210 25761 5380 1 11 . 1 1 70 70 SER N N 70 115.574 115.574 116.717 -1.143 25761 5381 1 11 . 1 1 70 70 SER HA H 70 4.598 4.598 4.444 0.154 25761 5382 1 11 . 1 1 70 70 SER CA C 70 54.127 54.127 58.871 -4.744 25761 5383 1 11 . 1 1 70 70 SER CB C 70 62.189 62.189 63.865 -1.676 25761 5384 1 11 . 1 1 70 70 SER H H 70 7.955 7.955 7.818 0.137 25761 5385 1 11 . 1 1 71 71 THR N N 71 114.592 114.592 116.400 -1.808 25761 5386 1 11 . 1 1 71 71 THR HA H 71 5.244 5.244 4.465 0.779 25761 5387 1 11 . 1 1 71 71 THR CA C 71 58.147 58.147 61.863 -3.716 25761 5388 1 11 . 1 1 71 71 THR CB C 71 66.895 66.895 68.799 -1.904 25761 5389 1 11 . 1 1 71 71 THR H H 71 8.285 8.285 8.268 0.017 25761 5390 1 11 . 1 1 72 72 PHE N N 72 125.101 125.101 123.264 1.837 25761 5391 1 11 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.382 0.559 25761 5392 1 11 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.711 -5.576 25761 5393 1 11 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.613 -2.682 25761 5394 1 11 . 1 1 72 72 PHE H H 72 8.649 8.649 7.595 1.054 25761 5395 1 11 . 1 1 73 73 GLU N N 73 129.014 129.014 127.360 1.654 25761 5396 1 11 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.913 -0.362 25761 5397 1 11 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.724 -2.309 25761 5398 1 11 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.430 5.462 25761 5399 1 11 . 1 1 73 73 GLU H H 73 9.018 9.018 8.984 0.034 25761 5400 1 11 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.159 -2.062 25761 5401 1 11 . 1 1 75 75 ASP N N 75 116.246 116.246 119.919 -3.673 25761 5402 1 11 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.488 -0.038 25761 5403 1 11 . 1 1 75 75 ASP CA C 75 54.550 54.550 57.066 -2.516 25761 5404 1 11 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.363 -2.622 25761 5405 1 11 . 1 1 75 75 ASP H H 75 7.493 7.493 7.929 -0.436 25761 5406 1 11 . 1 1 76 76 LEU N N 76 121.503 121.503 120.094 1.409 25761 5407 1 11 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.136 -0.150 25761 5408 1 11 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.638 -3.394 25761 5409 1 11 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.046 -4.807 25761 5410 1 11 . 1 1 76 76 LEU H H 76 7.651 7.651 7.538 0.113 25761 5411 1 11 . 1 1 77 77 ASP N N 77 120.554 120.554 119.273 1.281 25761 5412 1 11 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.383 -0.092 25761 5413 1 11 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.298 -2.603 25761 5414 1 11 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.906 -3.712 25761 5415 1 11 . 1 1 77 77 ASP H H 77 8.117 8.117 8.073 0.044 25761 5416 1 11 . 1 1 78 78 ALA N N 78 121.953 121.953 121.445 0.508 25761 5417 1 11 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.095 0.048 25761 5418 1 11 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.712 -2.342 25761 5419 1 11 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.228 -2.829 25761 5420 1 11 . 1 1 78 78 ALA H H 78 7.904 7.904 7.999 -0.095 25761 5421 1 11 . 1 1 79 79 TYR N N 79 119.746 119.746 120.354 -0.608 25761 5422 1 11 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.026 -0.137 25761 5423 1 11 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.352 -2.967 25761 5424 1 11 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.292 -2.481 25761 5425 1 11 . 1 1 79 79 TYR H H 79 7.422 7.422 7.908 -0.486 25761 5426 1 11 . 1 1 80 80 ALA N N 80 122.107 122.107 119.669 2.438 25761 5427 1 11 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.094 -0.324 25761 5428 1 11 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.003 -2.473 25761 5429 1 11 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.177 -2.799 25761 5430 1 11 . 1 1 80 80 ALA H H 80 8.376 8.376 8.033 0.343 25761 5431 1 11 . 1 1 81 81 GLU N N 81 118.620 118.620 118.193 0.427 25761 5432 1 11 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.071 -0.227 25761 5433 1 11 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.013 -2.300 25761 5434 1 11 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.679 -2.800 25761 5435 1 11 . 1 1 81 81 GLU H H 81 8.149 8.149 7.559 0.590 25761 5436 1 11 . 1 1 82 82 ARG N N 82 120.032 120.032 119.415 0.617 25761 5437 1 11 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.058 -0.310 25761 5438 1 11 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.797 -2.010 25761 5439 1 11 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.430 -5.277 25761 5440 1 11 . 1 1 82 82 ARG H H 82 7.535 7.535 8.022 -0.487 25761 5441 1 11 . 1 1 83 83 ALA N N 83 122.089 122.089 121.011 1.078 25761 5442 1 11 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.927 -0.219 25761 5443 1 11 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.918 -2.593 25761 5444 1 11 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.026 -2.357 25761 5445 1 11 . 1 1 83 83 ALA H H 83 8.467 8.467 8.292 0.175 25761 5446 1 11 . 1 1 84 84 ALA N N 84 118.529 118.529 118.463 0.066 25761 5447 1 11 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.158 0.084 25761 5448 1 11 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.843 -3.854 25761 5449 1 11 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.294 -3.113 25761 5450 1 11 . 1 1 84 84 ALA H H 84 7.517 7.517 7.828 -0.311 25761 5451 1 11 . 1 1 85 85 ARG N N 85 117.478 117.478 115.948 1.530 25761 5452 1 11 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.372 -0.385 25761 5453 1 11 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.296 -1.605 25761 5454 1 11 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.015 -3.429 25761 5455 1 11 . 1 1 85 85 ARG H H 85 7.278 7.278 7.927 -0.649 25761 5456 1 11 . 1 1 86 86 ILE N N 86 118.079 118.079 118.292 -0.213 25761 5457 1 11 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.201 -0.454 25761 5458 1 11 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.566 -1.035 25761 5459 1 11 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.663 -3.450 25761 5460 1 11 . 1 1 86 86 ILE H H 86 7.286 7.286 7.818 -0.532 25761 5461 1 11 . 1 1 87 87 ASP N N 87 117.833 117.833 122.434 -4.601 25761 5462 1 11 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.683 0.297 25761 5463 1 11 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.872 -7.230 25761 5464 1 11 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.700 -2.524 25761 5465 1 11 . 1 1 87 87 ASP H H 87 7.973 7.973 8.003 -0.030 25761 5466 1 11 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.370 0.271 25761 5467 1 11 . 1 1 88 88 PRO CA C 88 60.549 60.549 63.831 -3.282 25761 5468 1 11 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.412 -2.853 25761 5469 1 11 . 1 1 89 89 ASP N N 89 120.189 120.189 118.096 2.093 25761 5470 1 11 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.804 -0.118 25761 5471 1 11 . 1 1 89 89 ASP CB C 89 39.373 39.373 42.156 -2.783 25761 5472 1 11 . 1 1 89 89 ASP H H 89 7.960 7.960 8.472 -0.512 25761 5473 1 11 . 1 1 90 90 ILE N N 90 120.372 120.372 123.652 -3.280 25761 5474 1 11 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.707 -0.152 25761 5475 1 11 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.311 0.711 25761 5476 1 11 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.854 -2.656 25761 5477 1 11 . 1 1 90 90 ILE H H 90 7.234 7.234 8.328 -1.094 25761 5478 1 11 . 1 1 91 91 TRP N N 91 122.596 122.596 128.476 -5.880 25761 5479 1 11 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.748 0.141 25761 5480 1 11 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.895 -4.228 25761 5481 1 11 . 1 1 91 91 TRP CB C 91 28.630 28.630 30.922 -2.292 25761 5482 1 11 . 1 1 91 91 TRP H H 91 9.295 9.295 9.084 0.211 25761 5483 1 11 . 1 1 92 92 VAL N N 92 118.958 118.958 121.482 -2.524 25761 5484 1 11 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.590 0.558 25761 5485 1 11 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.994 -2.597 25761 5486 1 11 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.397 -1.572 25761 5487 1 11 . 1 1 92 92 VAL H H 92 9.040 9.040 8.366 0.674 25761 5488 1 11 . 1 1 93 93 VAL N N 93 129.129 129.129 128.098 1.031 25761 5489 1 11 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.755 0.014 25761 5490 1 11 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.230 -3.915 25761 5491 1 11 . 1 1 93 93 VAL CB C 93 32.548 32.548 32.171 0.377 25761 5492 1 11 . 1 1 93 93 VAL H H 93 9.201 9.201 9.361 -0.160 25761 5493 1 11 . 1 1 94 94 GLU N N 94 126.192 126.192 127.760 -1.568 25761 5494 1 11 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.814 0.598 25761 5495 1 11 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.976 -3.212 25761 5496 1 11 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.387 -1.803 25761 5497 1 11 . 1 1 94 94 GLU H H 94 9.161 9.161 8.710 0.451 25761 5498 1 11 . 1 1 95 95 ILE N N 95 125.285 125.285 126.531 -1.246 25761 5499 1 11 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.730 0.041 25761 5500 1 11 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.742 -1.423 25761 5501 1 11 . 1 1 95 95 ILE CB C 95 38.475 38.475 37.917 0.558 25761 5502 1 11 . 1 1 95 95 ILE H H 95 9.347 9.347 8.132 1.215 25761 5503 1 11 . 1 1 96 96 GLU N N 96 128.539 128.539 128.959 -0.420 25761 5504 1 11 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.478 0.677 25761 5505 1 11 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.516 -2.965 25761 5506 1 11 . 1 1 96 96 GLU CB C 96 29.061 29.061 29.452 -0.391 25761 5507 1 11 . 1 1 96 96 GLU H H 96 9.390 9.390 8.528 0.862 25761 5508 1 11 . 1 1 97 97 ASP N N 97 123.516 123.516 122.913 0.603 25761 5509 1 11 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.888 0.431 25761 5510 1 11 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.191 -1.422 25761 5511 1 11 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.034 2.803 25761 5512 1 11 . 1 1 97 97 ASP H H 97 8.582 8.582 7.944 0.638 25761 5513 1 11 . 1 1 98 98 ARG N N 98 127.597 127.597 121.075 6.522 25761 5514 1 11 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.289 -0.218 25761 5515 1 11 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.425 -2.939 25761 5516 1 11 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.678 -3.108 25761 5517 1 11 . 1 1 98 98 ARG H H 98 8.914 8.914 8.662 0.252 25761 5518 1 11 . 1 1 99 99 ASP N N 99 115.196 115.196 116.972 -1.776 25761 5519 1 11 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.654 0.324 25761 5520 1 11 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.580 -2.572 25761 5521 1 11 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.956 -1.173 25761 5522 1 11 . 1 1 99 99 ASP H H 99 7.379 7.379 8.111 -0.732 25761 5523 1 11 . 1 1 100 100 GLY N N 100 106.976 106.976 107.017 -0.041 25761 5524 1 11 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.554 -0.921 25761 5525 1 11 . 1 1 100 100 GLY H H 100 7.481 7.481 7.993 -0.512 25761 5526 1 11 . 1 1 101 101 ARG N N 101 120.072 120.072 118.726 1.346 25761 5527 1 11 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.082 -0.640 25761 5528 1 11 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.984 -1.797 25761 5529 1 11 . 1 1 101 101 ARG CB C 101 27.859 27.859 30.816 -2.957 25761 5530 1 11 . 1 1 101 101 ARG H H 101 8.798 8.798 8.301 0.497 25761 5531 1 11 . 1 1 102 102 HIS N N 102 112.990 112.990 116.929 -3.939 25761 5532 1 11 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.557 -0.204 25761 5533 1 11 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.692 -4.009 25761 5534 1 11 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.053 -0.529 25761 5535 1 11 . 1 1 102 102 HIS H H 102 5.928 5.928 7.710 -1.782 25761 5536 1 11 . 1 1 103 103 PHE N N 103 106.623 106.623 114.817 -8.194 25761 5537 1 11 . 1 1 103 103 PHE HA H 103 3.393 3.393 3.900 -0.507 25761 5538 1 11 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.916 -1.041 25761 5539 1 11 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.339 -2.987 25761 5540 1 11 . 1 1 103 103 PHE H H 103 6.660 6.660 7.346 -0.686 25761 5541 1 11 . 1 1 104 104 LEU N N 104 123.743 123.743 118.314 5.429 25761 5542 1 11 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.202 0.046 25761 5543 1 11 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.838 -2.988 25761 5544 1 11 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.105 -3.848 25761 5545 1 11 . 1 1 104 104 LEU H H 104 10.737 10.737 7.307 3.430 25761 5546 1 11 . 1 1 105 105 THR N N 105 113.822 113.822 112.535 1.287 25761 5547 1 11 . 1 1 105 105 THR HA H 105 4.313 4.313 4.438 -0.125 25761 5548 1 11 . 1 1 105 105 THR CA C 105 59.658 59.658 61.555 -1.897 25761 5549 1 11 . 1 1 105 105 THR CB C 105 66.210 66.210 68.666 -2.456 25761 5550 1 11 . 1 1 105 105 THR H H 105 9.213 9.213 8.277 0.936 25761 5551 1 11 . 1 1 106 106 GLU N N 106 123.871 123.871 121.545 2.326 25761 5552 1 11 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.704 -0.091 25761 5553 1 11 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.003 -6.868 25761 5554 1 11 . 1 1 106 106 GLU H H 106 7.734 7.734 7.929 -0.195 25761 5555 1 11 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.413 -0.149 25761 5556 1 11 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.189 -1.725 25761 5557 1 11 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.164 -2.361 25761 5558 1 11 . 1 1 108 108 VAL N N 108 120.628 120.628 122.500 -1.872 25761 5559 1 11 . 1 1 108 108 VAL CA C 108 57.808 57.808 59.029 -1.221 25761 5560 1 11 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.318 -2.128 25761 5561 1 11 . 1 1 108 108 VAL H H 108 8.137 8.137 8.160 -0.023 25761 5562 1 11 . 1 1 109 109 GLU N N 109 128.850 128.850 127.875 0.975 25761 5563 1 11 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.595 -0.156 25761 5564 1 11 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.509 -1.601 25761 5565 1 11 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.140 -2.693 25761 5566 1 11 . 1 1 109 109 GLU H H 109 9.095 9.095 8.980 0.115 25761 5567 1 12 . 1 1 2 2 MET HA H 2 4.380 4.380 5.099 -0.719 25761 5568 1 12 . 1 1 2 2 MET CA C 2 52.819 52.819 54.560 -1.741 25761 5569 1 12 . 1 1 2 2 MET CB C 2 30.830 30.830 35.087 -4.257 25761 5570 1 12 . 1 1 3 3 LEU N N 3 123.960 123.960 123.229 0.731 25761 5571 1 12 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.708 -0.418 25761 5572 1 12 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.775 -2.105 25761 5573 1 12 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.448 -2.520 25761 5574 1 12 . 1 1 3 3 LEU H H 3 8.399 8.399 8.638 -0.239 25761 5575 1 12 . 1 1 4 4 LEU N N 4 123.372 123.372 121.693 1.679 25761 5576 1 12 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.289 0.168 25761 5577 1 12 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.232 -3.585 25761 5578 1 12 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.456 -1.454 25761 5579 1 12 . 1 1 4 4 LEU H H 4 8.134 8.134 7.993 0.141 25761 5580 1 12 . 1 1 5 5 SER N N 5 117.439 117.439 113.382 4.057 25761 5581 1 12 . 1 1 5 5 SER HA H 5 4.628 4.628 4.513 0.115 25761 5582 1 12 . 1 1 5 5 SER CA C 5 56.192 56.192 56.393 -0.201 25761 5583 1 12 . 1 1 5 5 SER CB C 5 61.291 61.291 65.271 -3.980 25761 5584 1 12 . 1 1 5 5 SER H H 5 8.075 8.075 7.472 0.603 25761 5585 1 12 . 1 1 6 6 THR N N 6 121.297 121.297 118.708 2.589 25761 5586 1 12 . 1 1 6 6 THR HA H 6 3.713 3.713 3.698 0.015 25761 5587 1 12 . 1 1 6 6 THR CA C 6 64.981 64.981 67.186 -2.205 25761 5588 1 12 . 1 1 6 6 THR CB C 6 65.860 65.860 68.604 -2.744 25761 5589 1 12 . 1 1 6 6 THR H H 6 7.681 7.681 8.395 -0.714 25761 5590 1 12 . 1 1 7 7 ASP N N 7 119.550 119.550 120.266 -0.716 25761 5591 1 12 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.830 -0.088 25761 5592 1 12 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.091 -2.094 25761 5593 1 12 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.976 -4.184 25761 5594 1 12 . 1 1 7 7 ASP H H 7 9.044 9.044 7.668 1.376 25761 5595 1 12 . 1 1 8 8 ILE N N 8 123.495 123.495 119.632 3.863 25761 5596 1 12 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.639 0.082 25761 5597 1 12 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.440 -2.465 25761 5598 1 12 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.435 -1.308 25761 5599 1 12 . 1 1 8 8 ILE H H 8 7.749 7.749 7.060 0.689 25761 5600 1 12 . 1 1 9 9 TRP N N 9 124.446 124.446 119.600 4.846 25761 5601 1 12 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.367 -0.523 25761 5602 1 12 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.101 0.035 25761 5603 1 12 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.416 -1.441 25761 5604 1 12 . 1 1 9 9 TRP H H 9 8.232 8.232 7.016 1.216 25761 5605 1 12 . 1 1 10 10 VAL N N 10 121.207 121.207 120.285 0.922 25761 5606 1 12 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.584 -0.419 25761 5607 1 12 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.464 -2.229 25761 5608 1 12 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.616 -1.600 25761 5609 1 12 . 1 1 10 10 VAL H H 10 9.240 9.240 7.586 1.654 25761 5610 1 12 . 1 1 11 11 ALA N N 11 120.679 120.679 121.973 -1.294 25761 5611 1 12 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.927 -0.078 25761 5612 1 12 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.335 -2.856 25761 5613 1 12 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.103 -2.958 25761 5614 1 12 . 1 1 11 11 ALA H H 11 7.718 7.718 8.242 -0.523 25761 5615 1 12 . 1 1 12 12 ALA N N 12 120.217 120.217 121.704 -1.487 25761 5616 1 12 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.083 -0.178 25761 5617 1 12 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.684 -2.688 25761 5618 1 12 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.426 -3.487 25761 5619 1 12 . 1 1 12 12 ALA H H 12 7.642 7.642 8.133 -0.491 25761 5620 1 12 . 1 1 13 13 LEU N N 13 122.821 122.821 121.584 1.237 25761 5621 1 12 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.009 -0.464 25761 5622 1 12 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.959 -2.418 25761 5623 1 12 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.981 -3.533 25761 5624 1 12 . 1 1 13 13 LEU H H 13 7.320 7.320 8.392 -1.072 25761 5625 1 12 . 1 1 14 14 ILE N N 14 117.258 117.258 117.412 -0.154 25761 5626 1 12 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.681 -0.629 25761 5627 1 12 . 1 1 14 14 ILE CA C 14 62.205 62.205 63.977 -1.772 25761 5628 1 12 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.230 -1.453 25761 5629 1 12 . 1 1 14 14 ILE H H 14 8.105 8.105 8.496 -0.391 25761 5630 1 12 . 1 1 15 15 ARG N N 15 117.921 117.921 120.219 -2.298 25761 5631 1 12 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.976 -0.016 25761 5632 1 12 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.288 -3.220 25761 5633 1 12 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.611 -2.309 25761 5634 1 12 . 1 1 15 15 ARG H H 15 7.574 7.574 7.386 0.188 25761 5635 1 12 . 1 1 16 16 ARG N N 16 118.635 118.635 118.727 -0.092 25761 5636 1 12 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.009 -0.308 25761 5637 1 12 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.672 -1.018 25761 5638 1 12 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.632 -1.501 25761 5639 1 12 . 1 1 16 16 ARG H H 16 7.832 7.832 8.176 -0.344 25761 5640 1 12 . 1 1 17 17 ALA N N 17 122.335 122.335 122.708 -0.373 25761 5641 1 12 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.380 0.672 25761 5642 1 12 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.157 8.204 25761 5643 1 12 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.093 -2.539 25761 5644 1 12 . 1 1 17 17 ALA H H 17 7.856 7.856 8.331 -0.475 25761 5645 1 12 . 1 1 18 18 GLU N N 18 118.223 118.223 119.941 -1.718 25761 5646 1 12 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.223 -0.232 25761 5647 1 12 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.582 -2.093 25761 5648 1 12 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.477 -2.691 25761 5649 1 12 . 1 1 18 18 GLU H H 18 8.303 8.303 7.531 0.772 25761 5650 1 12 . 1 1 19 19 LEU N N 19 122.454 122.454 120.352 2.102 25761 5651 1 12 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.037 -0.032 25761 5652 1 12 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.358 -2.501 25761 5653 1 12 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.624 -2.509 25761 5654 1 12 . 1 1 19 19 LEU H H 19 8.402 8.402 8.082 0.320 25761 5655 1 12 . 1 1 20 20 GLY N N 20 105.446 105.446 104.014 1.432 25761 5656 1 12 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.093 -2.350 25761 5657 1 12 . 1 1 20 20 GLY H H 20 7.468 7.468 7.547 -0.079 25761 5658 1 12 . 1 1 21 21 GLY N N 21 107.714 107.714 108.647 -0.933 25761 5659 1 12 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.991 -2.364 25761 5660 1 12 . 1 1 21 21 GLY H H 21 7.754 7.754 7.823 -0.069 25761 5661 1 12 . 1 1 22 22 ALA N N 22 123.725 123.725 124.756 -1.031 25761 5662 1 12 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.714 -0.050 25761 5663 1 12 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.425 -3.187 25761 5664 1 12 . 1 1 22 22 ALA CB C 22 19.283 19.283 22.361 -3.078 25761 5665 1 12 . 1 1 22 22 ALA H H 22 8.012 8.012 7.456 0.556 25761 5666 1 12 . 1 1 23 23 PHE N N 23 117.564 117.564 121.263 -3.699 25761 5667 1 12 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.884 -0.045 25761 5668 1 12 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.467 -2.704 25761 5669 1 12 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.124 -2.468 25761 5670 1 12 . 1 1 23 23 PHE H H 23 8.128 8.128 8.190 -0.062 25761 5671 1 12 . 1 1 24 24 ALA N N 24 128.638 128.638 129.656 -1.018 25761 5672 1 12 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.480 -0.028 25761 5673 1 12 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.403 -2.892 25761 5674 1 12 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.316 -0.938 25761 5675 1 12 . 1 1 24 24 ALA H H 24 8.542 8.542 8.234 0.308 25761 5676 1 12 . 1 1 25 25 THR N N 25 115.207 115.207 114.010 1.197 25761 5677 1 12 . 1 1 25 25 THR HA H 25 4.394 4.394 4.406 -0.012 25761 5678 1 12 . 1 1 25 25 THR CA C 25 57.830 57.830 61.697 -3.868 25761 5679 1 12 . 1 1 25 25 THR CB C 25 69.095 69.095 70.936 -1.841 25761 5680 1 12 . 1 1 25 25 THR H H 25 9.003 9.003 8.524 0.479 25761 5681 1 12 . 1 1 26 26 VAL N N 26 125.712 125.712 122.217 3.495 25761 5682 1 12 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.924 -0.742 25761 5683 1 12 . 1 1 26 26 VAL CA C 26 60.486 60.486 60.627 -0.141 25761 5684 1 12 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.669 -4.121 25761 5685 1 12 . 1 1 26 26 VAL H H 26 8.739 8.739 8.281 0.458 25761 5686 1 12 . 1 1 27 27 ALA N N 27 134.206 134.206 131.949 2.257 25761 5687 1 12 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.255 -0.010 25761 5688 1 12 . 1 1 27 27 ALA CA C 27 50.742 50.742 53.200 -2.458 25761 5689 1 12 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.497 -2.966 25761 5690 1 12 . 1 1 27 27 ALA H H 27 8.412 8.412 8.521 -0.109 25761 5691 1 12 . 1 1 28 28 ARG N N 28 117.751 117.751 119.274 -1.523 25761 5692 1 12 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.443 -0.235 25761 5693 1 12 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.590 -1.932 25761 5694 1 12 . 1 1 28 28 ARG CB C 28 31.000 31.000 32.868 -1.868 25761 5695 1 12 . 1 1 28 28 ARG H H 28 8.090 8.090 7.486 0.604 25761 5696 1 12 . 1 1 29 29 LYS N N 29 128.417 128.417 126.766 1.651 25761 5697 1 12 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.448 -0.339 25761 5698 1 12 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.876 -2.084 25761 5699 1 12 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.890 -2.601 25761 5700 1 12 . 1 1 29 29 LYS H H 29 8.536 8.536 8.405 0.131 25761 5701 1 12 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.245 -2.387 25761 5702 1 12 . 1 1 31 31 ASP N N 31 120.477 120.477 120.833 -0.356 25761 5703 1 12 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.556 -0.052 25761 5704 1 12 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.752 -2.115 25761 5705 1 12 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.517 -2.167 25761 5706 1 12 . 1 1 31 31 ASP H H 31 8.445 8.445 8.101 0.344 25761 5707 1 12 . 1 1 32 32 ALA N N 32 133.865 133.865 129.315 4.550 25761 5708 1 12 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.453 -0.084 25761 5709 1 12 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.675 -1.388 25761 5710 1 12 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.336 -2.281 25761 5711 1 12 . 1 1 32 32 ALA H H 32 9.236 9.236 8.961 0.275 25761 5712 1 12 . 1 1 33 33 ARG N N 33 113.991 113.991 113.578 0.413 25761 5713 1 12 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.458 -0.044 25761 5714 1 12 . 1 1 33 33 ARG CA C 33 55.785 55.785 56.623 -0.838 25761 5715 1 12 . 1 1 33 33 ARG CB C 33 28.183 28.183 32.460 -4.277 25761 5716 1 12 . 1 1 33 33 ARG H H 33 7.913 7.913 8.986 -1.073 25761 5717 1 12 . 1 1 34 34 ALA N N 34 120.593 120.593 121.414 -0.821 25761 5718 1 12 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.631 0.043 25761 5719 1 12 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.260 -2.724 25761 5720 1 12 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.433 -2.619 25761 5721 1 12 . 1 1 34 34 ALA H H 34 8.306 8.306 8.339 -0.033 25761 5722 1 12 . 1 1 35 35 GLY N N 35 107.349 107.349 108.164 -0.815 25761 5723 1 12 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.239 0.212 25761 5724 1 12 . 1 1 35 35 GLY H H 35 7.715 7.715 7.632 0.083 25761 5725 1 12 . 1 1 36 36 ALA N N 36 127.073 127.073 127.430 -0.357 25761 5726 1 12 . 1 1 36 36 ALA HA H 36 4.358 4.358 5.191 -0.833 25761 5727 1 12 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.095 -1.954 25761 5728 1 12 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.768 -3.801 25761 5729 1 12 . 1 1 36 36 ALA H H 36 8.935 8.935 8.117 0.818 25761 5730 1 12 . 1 1 37 37 VAL N N 37 116.903 116.903 118.143 -1.240 25761 5731 1 12 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.788 -0.039 25761 5732 1 12 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.382 -1.800 25761 5733 1 12 . 1 1 37 37 VAL H H 37 7.830 7.830 8.134 -0.304 25761 5734 1 12 . 1 1 38 38 LEU N N 38 126.366 126.366 126.548 -0.182 25761 5735 1 12 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.256 0.275 25761 5736 1 12 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.350 -2.475 25761 5737 1 12 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.208 -2.238 25761 5738 1 12 . 1 1 38 38 LEU H H 38 8.926 8.926 8.744 0.182 25761 5739 1 12 . 1 1 39 39 VAL N N 39 121.843 121.843 121.405 0.438 25761 5740 1 12 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.633 0.246 25761 5741 1 12 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.971 -2.628 25761 5742 1 12 . 1 1 39 39 VAL CB C 39 32.192 32.192 33.924 -1.732 25761 5743 1 12 . 1 1 39 39 VAL H H 39 8.819 8.819 8.955 -0.136 25761 5744 1 12 . 1 1 40 40 LYS N N 40 129.592 129.592 128.910 0.682 25761 5745 1 12 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.838 0.441 25761 5746 1 12 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.179 -6.189 25761 5747 1 12 . 1 1 40 40 LYS CB C 40 31.682 31.682 35.724 -4.042 25761 5748 1 12 . 1 1 40 40 LYS H H 40 9.438 9.438 8.941 0.497 25761 5749 1 12 . 1 1 41 41 ALA N N 41 131.659 131.659 131.176 0.483 25761 5750 1 12 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.199 0.050 25761 5751 1 12 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.508 1.308 25761 5752 1 12 . 1 1 41 41 ALA CB C 41 17.645 17.645 20.876 -3.231 25761 5753 1 12 . 1 1 41 41 ALA H H 41 9.349 9.349 8.697 0.652 25761 5754 1 12 . 1 1 42 42 VAL N N 42 127.668 127.668 124.671 2.997 25761 5755 1 12 . 1 1 42 42 VAL HA H 42 4.269 4.269 3.914 0.355 25761 5756 1 12 . 1 1 42 42 VAL CA C 42 59.621 59.621 64.052 -4.431 25761 5757 1 12 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.819 -1.941 25761 5758 1 12 . 1 1 42 42 VAL H H 42 9.517 9.517 8.514 1.003 25761 5759 1 12 . 1 1 43 43 ASP N N 43 127.524 127.524 124.578 2.946 25761 5760 1 12 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.961 -0.075 25761 5761 1 12 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.488 -2.858 25761 5762 1 12 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.955 -2.428 25761 5763 1 12 . 1 1 43 43 ASP H H 43 8.821 8.821 8.792 0.029 25761 5764 1 12 . 1 1 44 44 ARG N N 44 123.676 123.676 124.665 -0.989 25761 5765 1 12 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.176 -0.081 25761 5766 1 12 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.377 -2.706 25761 5767 1 12 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.894 -1.800 25761 5768 1 12 . 1 1 44 44 ARG H H 44 8.435 8.435 7.865 0.570 25761 5769 1 12 . 1 1 45 45 ARG N N 45 120.486 120.486 119.801 0.685 25761 5770 1 12 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.198 -0.067 25761 5771 1 12 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.664 -2.057 25761 5772 1 12 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.103 -2.039 25761 5773 1 12 . 1 1 45 45 ARG H H 45 8.551 8.551 8.406 0.145 25761 5774 1 12 . 1 1 46 46 GLU N N 46 116.189 116.189 117.557 -1.368 25761 5775 1 12 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.376 -0.123 25761 5776 1 12 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.071 -2.633 25761 5777 1 12 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.571 -1.955 25761 5778 1 12 . 1 1 46 46 GLU H H 46 7.918 7.918 7.780 0.138 25761 5779 1 12 . 1 1 47 47 GLY N N 47 108.218 108.218 109.545 -1.327 25761 5780 1 12 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.678 -1.708 25761 5781 1 12 . 1 1 47 47 GLY H H 47 8.159 8.159 8.576 -0.417 25761 5782 1 12 . 1 1 48 48 THR N N 48 109.683 109.683 111.329 -1.646 25761 5783 1 12 . 1 1 48 48 THR HA H 48 4.639 4.639 4.483 0.156 25761 5784 1 12 . 1 1 48 48 THR CA C 48 57.215 57.215 59.798 -2.583 25761 5785 1 12 . 1 1 48 48 THR CB C 48 69.275 69.275 70.527 -1.252 25761 5786 1 12 . 1 1 48 48 THR H H 48 7.485 7.485 7.499 -0.014 25761 5787 1 12 . 1 1 49 49 ALA N N 49 122.571 122.571 121.141 1.430 25761 5788 1 12 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.686 0.470 25761 5789 1 12 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.138 -3.127 25761 5790 1 12 . 1 1 49 49 ALA CB C 49 21.004 21.004 21.862 -0.858 25761 5791 1 12 . 1 1 49 49 ALA H H 49 8.530 8.530 8.370 0.160 25761 5792 1 12 . 1 1 50 50 ARG N N 50 115.654 115.654 118.378 -2.724 25761 5793 1 12 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.717 -0.077 25761 5794 1 12 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.857 -2.351 25761 5795 1 12 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.334 -0.502 25761 5796 1 12 . 1 1 50 50 ARG H H 50 8.168 8.168 8.269 -0.101 25761 5797 1 12 . 1 1 51 51 LEU N N 51 122.400 122.400 121.040 1.360 25761 5798 1 12 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.509 0.765 25761 5799 1 12 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.210 -3.834 25761 5800 1 12 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.491 -1.332 25761 5801 1 12 . 1 1 51 51 LEU H H 51 8.213 8.213 8.012 0.201 25761 5802 1 12 . 1 1 52 52 PHE N N 52 124.579 124.579 120.086 4.493 25761 5803 1 12 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.529 0.021 25761 5804 1 12 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.235 -2.561 25761 5805 1 12 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.630 -3.011 25761 5806 1 12 . 1 1 52 52 PHE H H 52 9.546 9.546 8.824 0.722 25761 5807 1 12 . 1 1 53 53 SER N N 53 115.953 115.953 115.353 0.600 25761 5808 1 12 . 1 1 53 53 SER HA H 53 5.267 5.267 5.601 -0.334 25761 5809 1 12 . 1 1 53 53 SER CA C 53 53.513 53.513 56.148 -2.635 25761 5810 1 12 . 1 1 53 53 SER CB C 53 64.255 64.255 66.252 -1.997 25761 5811 1 12 . 1 1 53 53 SER H H 53 9.727 9.727 8.611 1.116 25761 5812 1 12 . 1 1 54 54 GLU N N 54 124.987 124.987 123.107 1.880 25761 5813 1 12 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.043 -0.435 25761 5814 1 12 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.617 -2.300 25761 5815 1 12 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.154 2.523 25761 5816 1 12 . 1 1 54 54 GLU H H 54 8.431 8.431 8.042 0.389 25761 5817 1 12 . 1 1 55 55 ALA N N 55 127.789 127.789 123.043 4.746 25761 5818 1 12 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.385 -0.125 25761 5819 1 12 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.251 -3.246 25761 5820 1 12 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.545 -1.863 25761 5821 1 12 . 1 1 55 55 ALA H H 55 8.430 8.430 7.678 0.752 25761 5822 1 12 . 1 1 56 56 THR N N 56 111.341 111.341 112.048 -0.707 25761 5823 1 12 . 1 1 56 56 THR HA H 56 5.038 5.038 5.389 -0.351 25761 5824 1 12 . 1 1 56 56 THR CA C 56 58.078 58.078 60.103 -2.025 25761 5825 1 12 . 1 1 56 56 THR CB C 56 68.505 68.505 71.824 -3.319 25761 5826 1 12 . 1 1 56 56 THR H H 56 7.923 7.923 8.027 -0.104 25761 5827 1 12 . 1 1 57 57 ARG N N 57 124.295 124.295 123.322 0.973 25761 5828 1 12 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.515 0.072 25761 5829 1 12 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.387 -3.062 25761 5830 1 12 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.217 -0.550 25761 5831 1 12 . 1 1 57 57 ARG H H 57 9.054 9.054 9.031 0.023 25761 5832 1 12 . 1 1 58 58 GLY N N 58 109.220 109.220 108.548 0.672 25761 5833 1 12 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.570 -1.974 25761 5834 1 12 . 1 1 58 58 GLY H H 58 8.706 8.706 8.757 -0.051 25761 5835 1 12 . 1 1 59 59 ASP N N 59 120.555 120.555 120.993 -0.438 25761 5836 1 12 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.571 0.015 25761 5837 1 12 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.886 -3.517 25761 5838 1 12 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.884 -3.487 25761 5839 1 12 . 1 1 59 59 ASP H H 59 8.194 8.194 8.292 -0.098 25761 5840 1 12 . 1 1 60 60 GLY N N 60 107.833 107.833 107.993 -0.160 25761 5841 1 12 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.268 -2.355 25761 5842 1 12 . 1 1 60 60 GLY H H 60 7.999 7.999 7.707 0.292 25761 5843 1 12 . 1 1 61 61 GLU N N 61 121.205 121.205 120.010 1.195 25761 5844 1 12 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.305 -0.119 25761 5845 1 12 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.925 -1.931 25761 5846 1 12 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.436 -2.506 25761 5847 1 12 . 1 1 61 61 GLU H H 61 7.910 7.910 8.368 -0.458 25761 5848 1 12 . 1 1 62 62 ARG N N 62 125.261 125.261 126.844 -1.583 25761 5849 1 12 . 1 1 62 62 ARG HA H 62 4.812 4.812 5.167 -0.355 25761 5850 1 12 . 1 1 62 62 ARG CA C 62 52.887 52.887 55.545 -2.658 25761 5851 1 12 . 1 1 62 62 ARG CB C 62 28.918 28.918 32.401 -3.483 25761 5852 1 12 . 1 1 62 62 ARG H H 62 8.219 8.219 8.397 -0.178 25761 5853 1 12 . 1 1 63 63 PHE N N 63 120.777 120.777 118.808 1.969 25761 5854 1 12 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.771 0.108 25761 5855 1 12 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.676 -2.876 25761 5856 1 12 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.151 -0.989 25761 5857 1 12 . 1 1 63 63 PHE H H 63 8.431 8.431 8.404 0.027 25761 5858 1 12 . 1 1 64 64 TRP N N 64 119.550 119.550 120.916 -1.366 25761 5859 1 12 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.244 -0.218 25761 5860 1 12 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.804 -2.615 25761 5861 1 12 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.795 -0.912 25761 5862 1 12 . 1 1 64 64 TRP H H 64 8.914 8.914 8.094 0.820 25761 5863 1 12 . 1 1 65 65 MET N N 65 118.324 118.324 120.821 -2.497 25761 5864 1 12 . 1 1 65 65 MET HA H 65 5.156 5.156 5.429 -0.273 25761 5865 1 12 . 1 1 65 65 MET CA C 65 50.438 50.438 54.218 -3.780 25761 5866 1 12 . 1 1 65 65 MET CB C 65 32.296 32.296 35.427 -3.131 25761 5867 1 12 . 1 1 65 65 MET H H 65 9.282 9.282 8.609 0.673 25761 5868 1 12 . 1 1 66 66 GLN N N 66 119.469 119.469 118.590 0.879 25761 5869 1 12 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.759 0.755 25761 5870 1 12 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.938 -2.973 25761 5871 1 12 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.460 0.040 25761 5872 1 12 . 1 1 66 66 GLN H H 66 8.785 8.785 8.654 0.131 25761 5873 1 12 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.355 -0.234 25761 5874 1 12 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.525 -2.659 25761 5875 1 12 . 1 1 67 67 PRO CB C 67 30.037 30.037 31.969 -1.932 25761 5876 1 12 . 1 1 68 68 VAL N N 68 119.433 119.433 121.158 -1.725 25761 5877 1 12 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.194 -0.235 25761 5878 1 12 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.415 -2.581 25761 5879 1 12 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.088 -1.056 25761 5880 1 12 . 1 1 68 68 VAL H H 68 8.464 8.464 7.606 0.858 25761 5881 1 12 . 1 1 69 69 ARG N N 69 127.119 127.119 128.463 -1.344 25761 5882 1 12 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.352 -0.016 25761 5883 1 12 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.220 -4.408 25761 5884 1 12 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.276 -2.353 25761 5885 1 12 . 1 1 69 69 ARG H H 69 8.519 8.519 8.793 -0.274 25761 5886 1 12 . 1 1 70 70 SER N N 70 115.574 115.574 116.888 -1.314 25761 5887 1 12 . 1 1 70 70 SER HA H 70 4.598 4.598 4.699 -0.101 25761 5888 1 12 . 1 1 70 70 SER CA C 70 54.127 54.127 57.799 -3.672 25761 5889 1 12 . 1 1 70 70 SER CB C 70 62.189 62.189 64.173 -1.984 25761 5890 1 12 . 1 1 70 70 SER H H 70 7.955 7.955 7.989 -0.034 25761 5891 1 12 . 1 1 71 71 THR N N 71 114.592 114.592 115.889 -1.297 25761 5892 1 12 . 1 1 71 71 THR HA H 71 5.244 5.244 4.621 0.623 25761 5893 1 12 . 1 1 71 71 THR CA C 71 58.147 58.147 61.578 -3.432 25761 5894 1 12 . 1 1 71 71 THR CB C 71 66.895 66.895 69.517 -2.623 25761 5895 1 12 . 1 1 71 71 THR H H 71 8.285 8.285 8.517 -0.232 25761 5896 1 12 . 1 1 72 72 PHE N N 72 125.101 125.101 122.264 2.837 25761 5897 1 12 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.564 0.377 25761 5898 1 12 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.765 -4.630 25761 5899 1 12 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.679 -2.748 25761 5900 1 12 . 1 1 72 72 PHE H H 72 8.649 8.649 8.037 0.612 25761 5901 1 12 . 1 1 73 73 GLU N N 73 129.014 129.014 125.588 3.426 25761 5902 1 12 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.104 -0.553 25761 5903 1 12 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.933 -2.518 25761 5904 1 12 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.773 6.119 25761 5905 1 12 . 1 1 73 73 GLU H H 73 9.018 9.018 9.153 -0.135 25761 5906 1 12 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.032 -1.935 25761 5907 1 12 . 1 1 75 75 ASP N N 75 116.246 116.246 118.613 -2.367 25761 5908 1 12 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.721 -0.271 25761 5909 1 12 . 1 1 75 75 ASP CA C 75 54.550 54.550 55.675 -1.125 25761 5910 1 12 . 1 1 75 75 ASP CB C 75 37.741 37.741 41.960 -4.219 25761 5911 1 12 . 1 1 75 75 ASP H H 75 7.493 7.493 8.140 -0.647 25761 5912 1 12 . 1 1 76 76 LEU N N 76 121.503 121.503 121.075 0.428 25761 5913 1 12 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.002 -0.016 25761 5914 1 12 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.085 -3.841 25761 5915 1 12 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.009 -4.770 25761 5916 1 12 . 1 1 76 76 LEU H H 76 7.651 7.651 8.372 -0.721 25761 5917 1 12 . 1 1 77 77 ASP N N 77 120.554 120.554 118.897 1.657 25761 5918 1 12 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.399 -0.108 25761 5919 1 12 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.038 -2.343 25761 5920 1 12 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.867 -3.673 25761 5921 1 12 . 1 1 77 77 ASP H H 77 8.117 8.117 8.318 -0.201 25761 5922 1 12 . 1 1 78 78 ALA N N 78 121.953 121.953 121.441 0.512 25761 5923 1 12 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.076 0.067 25761 5924 1 12 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.591 -2.221 25761 5925 1 12 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.182 -2.783 25761 5926 1 12 . 1 1 78 78 ALA H H 78 7.904 7.904 7.554 0.350 25761 5927 1 12 . 1 1 79 79 TYR N N 79 119.746 119.746 120.186 -0.440 25761 5928 1 12 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.037 -0.148 25761 5929 1 12 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.187 -2.802 25761 5930 1 12 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.341 -2.530 25761 5931 1 12 . 1 1 79 79 TYR H H 79 7.422 7.422 8.434 -1.012 25761 5932 1 12 . 1 1 80 80 ALA N N 80 122.107 122.107 117.623 4.484 25761 5933 1 12 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.168 -0.398 25761 5934 1 12 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.371 -1.841 25761 5935 1 12 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.231 -2.853 25761 5936 1 12 . 1 1 80 80 ALA H H 80 8.376 8.376 8.001 0.375 25761 5937 1 12 . 1 1 81 81 GLU N N 81 118.620 118.620 118.759 -0.139 25761 5938 1 12 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.242 -0.398 25761 5939 1 12 . 1 1 81 81 GLU CA C 81 56.713 56.713 57.902 -1.189 25761 5940 1 12 . 1 1 81 81 GLU CB C 81 26.879 26.879 30.059 -3.180 25761 5941 1 12 . 1 1 81 81 GLU H H 81 8.149 8.149 7.500 0.649 25761 5942 1 12 . 1 1 82 82 ARG N N 82 120.032 120.032 120.271 -0.239 25761 5943 1 12 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.030 -0.282 25761 5944 1 12 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.808 -2.021 25761 5945 1 12 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.364 -5.211 25761 5946 1 12 . 1 1 82 82 ARG H H 82 7.535 7.535 8.214 -0.679 25761 5947 1 12 . 1 1 83 83 ALA N N 83 122.089 122.089 121.305 0.784 25761 5948 1 12 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.857 -0.149 25761 5949 1 12 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.806 -2.481 25761 5950 1 12 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.119 -2.450 25761 5951 1 12 . 1 1 83 83 ALA H H 83 8.467 8.467 8.251 0.216 25761 5952 1 12 . 1 1 84 84 ALA N N 84 118.529 118.529 117.372 1.157 25761 5953 1 12 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.211 0.031 25761 5954 1 12 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.767 -2.778 25761 5955 1 12 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.038 -2.857 25761 5956 1 12 . 1 1 84 84 ALA H H 84 7.517 7.517 7.846 -0.329 25761 5957 1 12 . 1 1 85 85 ARG N N 85 117.478 117.478 116.272 1.206 25761 5958 1 12 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.353 -0.366 25761 5959 1 12 . 1 1 85 85 ARG CA C 85 55.691 55.691 56.929 -1.238 25761 5960 1 12 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.162 -3.576 25761 5961 1 12 . 1 1 85 85 ARG H H 85 7.278 7.278 7.371 -0.093 25761 5962 1 12 . 1 1 86 86 ILE N N 86 118.079 118.079 118.683 -0.604 25761 5963 1 12 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.168 -0.421 25761 5964 1 12 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.841 -1.310 25761 5965 1 12 . 1 1 86 86 ILE CB C 86 36.213 36.213 40.213 -4.000 25761 5966 1 12 . 1 1 86 86 ILE H H 86 7.286 7.286 7.653 -0.367 25761 5967 1 12 . 1 1 87 87 ASP N N 87 117.833 117.833 122.544 -4.711 25761 5968 1 12 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.786 0.194 25761 5969 1 12 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.664 -6.022 25761 5970 1 12 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.238 -2.062 25761 5971 1 12 . 1 1 87 87 ASP H H 87 7.973 7.973 7.748 0.225 25761 5972 1 12 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.382 0.259 25761 5973 1 12 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.209 -3.659 25761 5974 1 12 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.361 -2.802 25761 5975 1 12 . 1 1 89 89 ASP N N 89 120.189 120.189 118.163 2.026 25761 5976 1 12 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.761 -0.075 25761 5977 1 12 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.104 -1.731 25761 5978 1 12 . 1 1 89 89 ASP H H 89 7.960 7.960 8.480 -0.520 25761 5979 1 12 . 1 1 90 90 ILE N N 90 120.372 120.372 120.901 -0.529 25761 5980 1 12 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.644 -0.089 25761 5981 1 12 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.977 0.045 25761 5982 1 12 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.691 -1.492 25761 5983 1 12 . 1 1 90 90 ILE H H 90 7.234 7.234 8.007 -0.773 25761 5984 1 12 . 1 1 91 91 TRP N N 91 122.596 122.596 128.884 -6.288 25761 5985 1 12 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.034 -0.145 25761 5986 1 12 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.202 -3.535 25761 5987 1 12 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.222 -2.592 25761 5988 1 12 . 1 1 91 91 TRP H H 91 9.295 9.295 9.096 0.199 25761 5989 1 12 . 1 1 92 92 VAL N N 92 118.958 118.958 122.527 -3.569 25761 5990 1 12 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.451 0.697 25761 5991 1 12 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.921 -2.524 25761 5992 1 12 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.852 -2.027 25761 5993 1 12 . 1 1 92 92 VAL H H 92 9.040 9.040 8.242 0.798 25761 5994 1 12 . 1 1 93 93 VAL N N 93 129.129 129.129 127.445 1.684 25761 5995 1 12 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.700 0.069 25761 5996 1 12 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.319 -4.004 25761 5997 1 12 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.373 -0.826 25761 5998 1 12 . 1 1 93 93 VAL H H 93 9.201 9.201 8.656 0.545 25761 5999 1 12 . 1 1 94 94 GLU N N 94 126.192 126.192 126.981 -0.789 25761 6000 1 12 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.061 0.351 25761 6001 1 12 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.106 -2.342 25761 6002 1 12 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.110 -1.526 25761 6003 1 12 . 1 1 94 94 GLU H H 94 9.161 9.161 8.437 0.724 25761 6004 1 12 . 1 1 95 95 ILE N N 95 125.285 125.285 126.910 -1.625 25761 6005 1 12 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.488 0.283 25761 6006 1 12 . 1 1 95 95 ILE CA C 95 57.319 57.319 60.171 -2.852 25761 6007 1 12 . 1 1 95 95 ILE CB C 95 38.475 38.475 39.125 -0.650 25761 6008 1 12 . 1 1 95 95 ILE H H 95 9.347 9.347 9.341 0.006 25761 6009 1 12 . 1 1 96 96 GLU N N 96 128.539 128.539 129.459 -0.920 25761 6010 1 12 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.536 0.619 25761 6011 1 12 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.413 -2.862 25761 6012 1 12 . 1 1 96 96 GLU CB C 96 29.061 29.061 29.844 -0.783 25761 6013 1 12 . 1 1 96 96 GLU H H 96 9.390 9.390 8.904 0.486 25761 6014 1 12 . 1 1 97 97 ASP N N 97 123.516 123.516 123.441 0.075 25761 6015 1 12 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.860 0.459 25761 6016 1 12 . 1 1 97 97 ASP CA C 97 50.769 50.769 54.174 -3.405 25761 6017 1 12 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.647 2.190 25761 6018 1 12 . 1 1 97 97 ASP H H 97 8.582 8.582 8.139 0.443 25761 6019 1 12 . 1 1 98 98 ARG N N 98 127.597 127.597 117.286 10.311 25761 6020 1 12 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.565 -0.494 25761 6021 1 12 . 1 1 98 98 ARG CA C 98 56.486 56.486 56.302 0.184 25761 6022 1 12 . 1 1 98 98 ARG CB C 98 27.570 27.570 31.467 -3.897 25761 6023 1 12 . 1 1 98 98 ARG H H 98 8.914 8.914 8.760 0.154 25761 6024 1 12 . 1 1 99 99 ASP N N 99 115.196 115.196 118.117 -2.921 25761 6025 1 12 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.674 0.304 25761 6026 1 12 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.759 -2.751 25761 6027 1 12 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.860 -1.078 25761 6028 1 12 . 1 1 99 99 ASP H H 99 7.379 7.379 7.717 -0.338 25761 6029 1 12 . 1 1 100 100 GLY N N 100 106.976 106.976 108.565 -1.589 25761 6030 1 12 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.066 -1.433 25761 6031 1 12 . 1 1 100 100 GLY H H 100 7.481 7.481 7.789 -0.308 25761 6032 1 12 . 1 1 101 101 ARG N N 101 120.072 120.072 118.810 1.262 25761 6033 1 12 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.150 -0.708 25761 6034 1 12 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.024 -1.837 25761 6035 1 12 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.589 -3.730 25761 6036 1 12 . 1 1 101 101 ARG H H 101 8.798 8.798 8.168 0.630 25761 6037 1 12 . 1 1 102 102 HIS N N 102 112.990 112.990 114.523 -1.533 25761 6038 1 12 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.658 -0.305 25761 6039 1 12 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.731 -4.048 25761 6040 1 12 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.968 -1.444 25761 6041 1 12 . 1 1 102 102 HIS H H 102 5.928 5.928 7.715 -1.787 25761 6042 1 12 . 1 1 103 103 PHE N N 103 106.623 106.623 115.275 -8.652 25761 6043 1 12 . 1 1 103 103 PHE HA H 103 3.393 3.393 3.996 -0.603 25761 6044 1 12 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.195 -1.320 25761 6045 1 12 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.683 -3.332 25761 6046 1 12 . 1 1 103 103 PHE H H 103 6.660 6.660 7.161 -0.501 25761 6047 1 12 . 1 1 104 104 LEU N N 104 123.743 123.743 118.292 5.451 25761 6048 1 12 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.236 0.012 25761 6049 1 12 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.688 -2.838 25761 6050 1 12 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.097 -3.840 25761 6051 1 12 . 1 1 104 104 LEU H H 104 10.737 10.737 7.598 3.139 25761 6052 1 12 . 1 1 105 105 THR N N 105 113.822 113.822 113.108 0.714 25761 6053 1 12 . 1 1 105 105 THR HA H 105 4.313 4.313 4.475 -0.162 25761 6054 1 12 . 1 1 105 105 THR CA C 105 59.658 59.658 61.780 -2.122 25761 6055 1 12 . 1 1 105 105 THR CB C 105 66.210 66.210 68.968 -2.757 25761 6056 1 12 . 1 1 105 105 THR H H 105 9.213 9.213 8.299 0.914 25761 6057 1 12 . 1 1 106 106 GLU N N 106 123.871 123.871 121.798 2.073 25761 6058 1 12 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.719 -0.106 25761 6059 1 12 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.727 -6.592 25761 6060 1 12 . 1 1 106 106 GLU H H 106 7.734 7.734 8.246 -0.512 25761 6061 1 12 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.462 -0.198 25761 6062 1 12 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.736 -1.272 25761 6063 1 12 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.277 -2.474 25761 6064 1 12 . 1 1 108 108 VAL N N 108 120.628 120.628 116.957 3.671 25761 6065 1 12 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.894 -3.086 25761 6066 1 12 . 1 1 108 108 VAL CB C 108 32.190 32.190 35.538 -3.348 25761 6067 1 12 . 1 1 108 108 VAL H H 108 8.137 8.137 8.307 -0.170 25761 6068 1 12 . 1 1 109 109 GLU N N 109 128.850 128.850 123.746 5.104 25761 6069 1 12 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.810 -0.371 25761 6070 1 12 . 1 1 109 109 GLU CA C 109 53.908 53.908 54.735 -0.827 25761 6071 1 12 . 1 1 109 109 GLU CB C 109 28.447 28.447 33.325 -4.878 25761 6072 1 12 . 1 1 109 109 GLU H H 109 9.095 9.095 9.007 0.088 25761 6073 1 13 . 1 1 2 2 MET HA H 2 4.380 4.380 4.889 -0.509 25761 6074 1 13 . 1 1 2 2 MET CA C 2 52.819 52.819 54.556 -1.737 25761 6075 1 13 . 1 1 2 2 MET CB C 2 30.830 30.830 35.242 -4.412 25761 6076 1 13 . 1 1 3 3 LEU N N 3 123.960 123.960 124.677 -0.717 25761 6077 1 13 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.842 -0.552 25761 6078 1 13 . 1 1 3 3 LEU CA C 3 52.670 52.670 55.117 -2.447 25761 6079 1 13 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.044 -2.116 25761 6080 1 13 . 1 1 3 3 LEU H H 3 8.399 8.399 8.536 -0.137 25761 6081 1 13 . 1 1 4 4 LEU N N 4 123.372 123.372 124.840 -1.468 25761 6082 1 13 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.530 -0.073 25761 6083 1 13 . 1 1 4 4 LEU CA C 4 51.647 51.647 53.550 -1.903 25761 6084 1 13 . 1 1 4 4 LEU CB C 4 41.002 41.002 44.560 -3.558 25761 6085 1 13 . 1 1 4 4 LEU H H 4 8.134 8.134 8.143 -0.009 25761 6086 1 13 . 1 1 5 5 SER N N 5 117.439 117.439 112.343 5.096 25761 6087 1 13 . 1 1 5 5 SER HA H 5 4.628 4.628 4.340 0.288 25761 6088 1 13 . 1 1 5 5 SER CA C 5 56.192 56.192 57.030 -0.838 25761 6089 1 13 . 1 1 5 5 SER CB C 5 61.291 61.291 65.563 -4.272 25761 6090 1 13 . 1 1 5 5 SER H H 5 8.075 8.075 7.550 0.525 25761 6091 1 13 . 1 1 6 6 THR N N 6 121.297 121.297 118.805 2.492 25761 6092 1 13 . 1 1 6 6 THR HA H 6 3.713 3.713 4.069 -0.356 25761 6093 1 13 . 1 1 6 6 THR CA C 6 64.981 64.981 67.065 -2.084 25761 6094 1 13 . 1 1 6 6 THR CB C 6 65.860 65.860 68.569 -2.709 25761 6095 1 13 . 1 1 6 6 THR H H 6 7.681 7.681 8.278 -0.597 25761 6096 1 13 . 1 1 7 7 ASP N N 7 119.550 119.550 120.416 -0.866 25761 6097 1 13 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.718 0.024 25761 6098 1 13 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.913 -1.917 25761 6099 1 13 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.867 -4.075 25761 6100 1 13 . 1 1 7 7 ASP H H 7 9.044 9.044 7.430 1.614 25761 6101 1 13 . 1 1 8 8 ILE N N 8 123.495 123.495 120.023 3.472 25761 6102 1 13 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.634 0.087 25761 6103 1 13 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.806 -2.830 25761 6104 1 13 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.594 -1.467 25761 6105 1 13 . 1 1 8 8 ILE H H 8 7.749 7.749 7.124 0.625 25761 6106 1 13 . 1 1 9 9 TRP N N 9 124.446 124.446 119.355 5.091 25761 6107 1 13 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.363 -0.519 25761 6108 1 13 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.815 -0.679 25761 6109 1 13 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.480 -1.505 25761 6110 1 13 . 1 1 9 9 TRP H H 9 8.232 8.232 7.338 0.894 25761 6111 1 13 . 1 1 10 10 VAL N N 10 121.207 121.207 120.559 0.648 25761 6112 1 13 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.562 -0.397 25761 6113 1 13 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.963 -2.728 25761 6114 1 13 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.897 -1.881 25761 6115 1 13 . 1 1 10 10 VAL H H 10 9.240 9.240 7.690 1.550 25761 6116 1 13 . 1 1 11 11 ALA N N 11 120.679 120.679 121.470 -0.791 25761 6117 1 13 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.929 -0.080 25761 6118 1 13 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.333 -2.854 25761 6119 1 13 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.907 -2.762 25761 6120 1 13 . 1 1 11 11 ALA H H 11 7.718 7.718 8.145 -0.427 25761 6121 1 13 . 1 1 12 12 ALA N N 12 120.217 120.217 121.772 -1.555 25761 6122 1 13 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.110 -0.205 25761 6123 1 13 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.684 -2.688 25761 6124 1 13 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.387 -3.447 25761 6125 1 13 . 1 1 12 12 ALA H H 12 7.642 7.642 8.147 -0.505 25761 6126 1 13 . 1 1 13 13 LEU N N 13 122.821 122.821 121.905 0.916 25761 6127 1 13 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.034 -0.489 25761 6128 1 13 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.120 -2.579 25761 6129 1 13 . 1 1 13 13 LEU CB C 13 38.449 38.449 42.054 -3.605 25761 6130 1 13 . 1 1 13 13 LEU H H 13 7.320 7.320 8.136 -0.816 25761 6131 1 13 . 1 1 14 14 ILE N N 14 117.258 117.258 118.406 -1.148 25761 6132 1 13 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.574 -0.522 25761 6133 1 13 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.261 -2.056 25761 6134 1 13 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.397 -1.620 25761 6135 1 13 . 1 1 14 14 ILE H H 14 8.105 8.105 8.568 -0.463 25761 6136 1 13 . 1 1 15 15 ARG N N 15 117.921 117.921 119.810 -1.889 25761 6137 1 13 . 1 1 15 15 ARG HA H 15 3.960 3.960 4.032 -0.072 25761 6138 1 13 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.099 -3.031 25761 6139 1 13 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.700 -2.398 25761 6140 1 13 . 1 1 15 15 ARG H H 15 7.574 7.574 8.201 -0.627 25761 6141 1 13 . 1 1 16 16 ARG N N 16 118.635 118.635 119.283 -0.648 25761 6142 1 13 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.980 -0.279 25761 6143 1 13 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.288 -1.635 25761 6144 1 13 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.921 -1.790 25761 6145 1 13 . 1 1 16 16 ARG H H 16 7.832 7.832 8.074 -0.242 25761 6146 1 13 . 1 1 17 17 ALA N N 17 122.335 122.335 121.226 1.109 25761 6147 1 13 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.648 0.404 25761 6148 1 13 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.445 7.915 25761 6149 1 13 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.788 -2.235 25761 6150 1 13 . 1 1 17 17 ALA H H 17 7.856 7.856 7.679 0.177 25761 6151 1 13 . 1 1 18 18 GLU N N 18 118.223 118.223 119.403 -1.180 25761 6152 1 13 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.121 -0.130 25761 6153 1 13 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.825 -2.336 25761 6154 1 13 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.546 -2.760 25761 6155 1 13 . 1 1 18 18 GLU H H 18 8.303 8.303 8.113 0.190 25761 6156 1 13 . 1 1 19 19 LEU N N 19 122.454 122.454 120.436 2.018 25761 6157 1 13 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.064 -0.060 25761 6158 1 13 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.220 -2.363 25761 6159 1 13 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.655 -2.540 25761 6160 1 13 . 1 1 19 19 LEU H H 19 8.402 8.402 8.125 0.277 25761 6161 1 13 . 1 1 20 20 GLY N N 20 105.446 105.446 104.711 0.735 25761 6162 1 13 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.004 -2.261 25761 6163 1 13 . 1 1 20 20 GLY H H 20 7.468 7.468 7.573 -0.105 25761 6164 1 13 . 1 1 21 21 GLY N N 21 107.714 107.714 108.016 -0.302 25761 6165 1 13 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.838 -2.211 25761 6166 1 13 . 1 1 21 21 GLY H H 21 7.754 7.754 7.787 -0.033 25761 6167 1 13 . 1 1 22 22 ALA N N 22 123.725 123.725 122.859 0.866 25761 6168 1 13 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.456 0.208 25761 6169 1 13 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.871 -2.633 25761 6170 1 13 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.944 -1.661 25761 6171 1 13 . 1 1 22 22 ALA H H 22 8.012 8.012 7.264 0.748 25761 6172 1 13 . 1 1 23 23 PHE N N 23 117.564 117.564 120.366 -2.802 25761 6173 1 13 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.742 0.097 25761 6174 1 13 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.420 -2.658 25761 6175 1 13 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.491 -1.835 25761 6176 1 13 . 1 1 23 23 PHE H H 23 8.128 8.128 8.184 -0.056 25761 6177 1 13 . 1 1 24 24 ALA N N 24 128.638 128.638 129.763 -1.125 25761 6178 1 13 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.429 0.023 25761 6179 1 13 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.470 -2.959 25761 6180 1 13 . 1 1 24 24 ALA CB C 24 21.378 21.378 21.585 -0.207 25761 6181 1 13 . 1 1 24 24 ALA H H 24 8.542 8.542 7.582 0.960 25761 6182 1 13 . 1 1 25 25 THR N N 25 115.207 115.207 115.251 -0.044 25761 6183 1 13 . 1 1 25 25 THR HA H 25 4.394 4.394 4.468 -0.074 25761 6184 1 13 . 1 1 25 25 THR CA C 25 57.830 57.830 61.170 -3.340 25761 6185 1 13 . 1 1 25 25 THR CB C 25 69.095 69.095 72.040 -2.945 25761 6186 1 13 . 1 1 25 25 THR H H 25 9.003 9.003 8.364 0.639 25761 6187 1 13 . 1 1 26 26 VAL N N 26 125.712 125.712 122.957 2.755 25761 6188 1 13 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.913 -0.731 25761 6189 1 13 . 1 1 26 26 VAL CA C 26 60.486 60.486 60.694 -0.208 25761 6190 1 13 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.227 -4.679 25761 6191 1 13 . 1 1 26 26 VAL H H 26 8.739 8.739 8.391 0.348 25761 6192 1 13 . 1 1 27 27 ALA N N 27 134.206 134.206 132.645 1.561 25761 6193 1 13 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.310 -0.065 25761 6194 1 13 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.917 -2.175 25761 6195 1 13 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.628 -3.097 25761 6196 1 13 . 1 1 27 27 ALA H H 27 8.412 8.412 9.135 -0.723 25761 6197 1 13 . 1 1 28 28 ARG N N 28 117.751 117.751 117.657 0.094 25761 6198 1 13 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.408 -0.200 25761 6199 1 13 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.541 -1.883 25761 6200 1 13 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.742 -2.742 25761 6201 1 13 . 1 1 28 28 ARG H H 28 8.090 8.090 7.573 0.517 25761 6202 1 13 . 1 1 29 29 LYS N N 29 128.417 128.417 126.025 2.392 25761 6203 1 13 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.738 -0.629 25761 6204 1 13 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.078 -1.286 25761 6205 1 13 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.075 -2.785 25761 6206 1 13 . 1 1 29 29 LYS H H 29 8.536 8.536 8.340 0.196 25761 6207 1 13 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.253 -2.395 25761 6208 1 13 . 1 1 31 31 ASP N N 31 120.477 120.477 120.127 0.350 25761 6209 1 13 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.646 -0.142 25761 6210 1 13 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.728 -2.091 25761 6211 1 13 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.905 -2.555 25761 6212 1 13 . 1 1 31 31 ASP H H 31 8.445 8.445 8.090 0.355 25761 6213 1 13 . 1 1 32 32 ALA N N 32 133.865 133.865 129.695 4.170 25761 6214 1 13 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.550 -0.181 25761 6215 1 13 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.660 -1.373 25761 6216 1 13 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.332 -2.277 25761 6217 1 13 . 1 1 32 32 ALA H H 32 9.236 9.236 8.940 0.296 25761 6218 1 13 . 1 1 33 33 ARG N N 33 113.991 113.991 114.139 -0.148 25761 6219 1 13 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.463 -0.049 25761 6220 1 13 . 1 1 33 33 ARG CA C 33 55.785 55.785 56.603 -0.819 25761 6221 1 13 . 1 1 33 33 ARG CB C 33 28.183 28.183 32.235 -4.052 25761 6222 1 13 . 1 1 33 33 ARG H H 33 7.913 7.913 8.825 -0.912 25761 6223 1 13 . 1 1 34 34 ALA N N 34 120.593 120.593 121.950 -1.357 25761 6224 1 13 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.644 0.030 25761 6225 1 13 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.105 -2.569 25761 6226 1 13 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.494 -2.680 25761 6227 1 13 . 1 1 34 34 ALA H H 34 8.306 8.306 8.458 -0.152 25761 6228 1 13 . 1 1 35 35 GLY N N 35 107.349 107.349 107.871 -0.522 25761 6229 1 13 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.313 0.137 25761 6230 1 13 . 1 1 35 35 GLY H H 35 7.715 7.715 7.689 0.026 25761 6231 1 13 . 1 1 36 36 ALA N N 36 127.073 127.073 128.620 -1.547 25761 6232 1 13 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.718 -0.360 25761 6233 1 13 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.990 -2.849 25761 6234 1 13 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.031 -3.064 25761 6235 1 13 . 1 1 36 36 ALA H H 36 8.935 8.935 8.387 0.548 25761 6236 1 13 . 1 1 37 37 VAL N N 37 116.903 116.903 117.960 -1.057 25761 6237 1 13 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.002 -0.253 25761 6238 1 13 . 1 1 37 37 VAL CB C 37 33.582 33.582 36.062 -2.480 25761 6239 1 13 . 1 1 37 37 VAL H H 37 7.830 7.830 8.354 -0.524 25761 6240 1 13 . 1 1 38 38 LEU N N 38 126.366 126.366 122.906 3.460 25761 6241 1 13 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.121 0.410 25761 6242 1 13 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.619 -2.744 25761 6243 1 13 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.902 -2.932 25761 6244 1 13 . 1 1 38 38 LEU H H 38 8.926 8.926 8.762 0.164 25761 6245 1 13 . 1 1 39 39 VAL N N 39 121.843 121.843 121.825 0.018 25761 6246 1 13 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.409 0.470 25761 6247 1 13 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.127 -2.784 25761 6248 1 13 . 1 1 39 39 VAL CB C 39 32.192 32.192 31.802 0.390 25761 6249 1 13 . 1 1 39 39 VAL H H 39 8.819 8.819 8.831 -0.012 25761 6250 1 13 . 1 1 40 40 LYS N N 40 129.592 129.592 127.640 1.952 25761 6251 1 13 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.242 1.037 25761 6252 1 13 . 1 1 40 40 LYS CA C 40 47.991 47.991 55.557 -7.566 25761 6253 1 13 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.363 -2.681 25761 6254 1 13 . 1 1 40 40 LYS H H 40 9.438 9.438 8.898 0.540 25761 6255 1 13 . 1 1 41 41 ALA N N 41 131.659 131.659 125.526 6.133 25761 6256 1 13 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.482 -0.233 25761 6257 1 13 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.252 1.564 25761 6258 1 13 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.772 -5.127 25761 6259 1 13 . 1 1 41 41 ALA H H 41 9.349 9.349 7.809 1.540 25761 6260 1 13 . 1 1 42 42 VAL N N 42 127.668 127.668 118.913 8.755 25761 6261 1 13 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.268 0.001 25761 6262 1 13 . 1 1 42 42 VAL CA C 42 59.621 59.621 60.851 -1.230 25761 6263 1 13 . 1 1 42 42 VAL CB C 42 31.878 31.878 36.154 -4.276 25761 6264 1 13 . 1 1 42 42 VAL H H 42 9.517 9.517 8.042 1.475 25761 6265 1 13 . 1 1 43 43 ASP N N 43 127.524 127.524 126.853 0.671 25761 6266 1 13 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.048 -0.162 25761 6267 1 13 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.874 -4.244 25761 6268 1 13 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.391 -1.864 25761 6269 1 13 . 1 1 43 43 ASP H H 43 8.821 8.821 8.773 0.048 25761 6270 1 13 . 1 1 44 44 ARG N N 44 123.676 123.676 123.476 0.200 25761 6271 1 13 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.255 -0.160 25761 6272 1 13 . 1 1 44 44 ARG CA C 44 54.671 54.671 55.672 -1.001 25761 6273 1 13 . 1 1 44 44 ARG CB C 44 28.094 28.094 28.099 -0.005 25761 6274 1 13 . 1 1 44 44 ARG H H 44 8.435 8.435 8.809 -0.374 25761 6275 1 13 . 1 1 45 45 ARG N N 45 120.486 120.486 119.108 1.378 25761 6276 1 13 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.399 -0.268 25761 6277 1 13 . 1 1 45 45 ARG CA C 45 56.607 56.607 56.740 -0.133 25761 6278 1 13 . 1 1 45 45 ARG CB C 45 28.064 28.064 31.626 -3.562 25761 6279 1 13 . 1 1 45 45 ARG H H 45 8.551 8.551 8.261 0.289 25761 6280 1 13 . 1 1 46 46 GLU N N 46 116.189 116.189 118.984 -2.795 25761 6281 1 13 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.338 -0.085 25761 6282 1 13 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.723 -3.285 25761 6283 1 13 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.267 -1.651 25761 6284 1 13 . 1 1 46 46 GLU H H 46 7.918 7.918 8.573 -0.655 25761 6285 1 13 . 1 1 47 47 GLY N N 47 108.218 108.218 108.627 -0.409 25761 6286 1 13 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.178 -1.208 25761 6287 1 13 . 1 1 47 47 GLY H H 47 8.159 8.159 8.318 -0.159 25761 6288 1 13 . 1 1 48 48 THR N N 48 109.683 109.683 112.197 -2.514 25761 6289 1 13 . 1 1 48 48 THR HA H 48 4.639 4.639 4.374 0.265 25761 6290 1 13 . 1 1 48 48 THR CA C 48 57.215 57.215 61.154 -3.939 25761 6291 1 13 . 1 1 48 48 THR CB C 48 69.275 69.275 69.498 -0.223 25761 6292 1 13 . 1 1 48 48 THR H H 48 7.485 7.485 7.400 0.085 25761 6293 1 13 . 1 1 49 49 ALA N N 49 122.571 122.571 121.848 0.723 25761 6294 1 13 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.562 0.594 25761 6295 1 13 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.456 -3.446 25761 6296 1 13 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.113 -1.109 25761 6297 1 13 . 1 1 49 49 ALA H H 49 8.530 8.530 7.867 0.663 25761 6298 1 13 . 1 1 50 50 ARG N N 50 115.654 115.654 118.161 -2.507 25761 6299 1 13 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.685 -0.045 25761 6300 1 13 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.732 -2.226 25761 6301 1 13 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.579 -0.747 25761 6302 1 13 . 1 1 50 50 ARG H H 50 8.168 8.168 8.671 -0.503 25761 6303 1 13 . 1 1 51 51 LEU N N 51 122.400 122.400 121.455 0.945 25761 6304 1 13 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.260 1.014 25761 6305 1 13 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.497 -4.121 25761 6306 1 13 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.901 -0.742 25761 6307 1 13 . 1 1 51 51 LEU H H 51 8.213 8.213 8.290 -0.077 25761 6308 1 13 . 1 1 52 52 PHE N N 52 124.579 124.579 123.453 1.126 25761 6309 1 13 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.641 -0.091 25761 6310 1 13 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.948 -2.274 25761 6311 1 13 . 1 1 52 52 PHE CB C 52 40.619 40.619 41.389 -0.770 25761 6312 1 13 . 1 1 52 52 PHE H H 52 9.546 9.546 8.556 0.990 25761 6313 1 13 . 1 1 53 53 SER N N 53 115.953 115.953 115.335 0.618 25761 6314 1 13 . 1 1 53 53 SER HA H 53 5.267 5.267 5.202 0.065 25761 6315 1 13 . 1 1 53 53 SER CA C 53 53.513 53.513 56.899 -3.386 25761 6316 1 13 . 1 1 53 53 SER CB C 53 64.255 64.255 66.663 -2.408 25761 6317 1 13 . 1 1 53 53 SER H H 53 9.727 9.727 9.109 0.618 25761 6318 1 13 . 1 1 54 54 GLU N N 54 124.987 124.987 124.371 0.616 25761 6319 1 13 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.555 -0.947 25761 6320 1 13 . 1 1 54 54 GLU CA C 54 53.317 53.317 56.052 -2.735 25761 6321 1 13 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.555 2.122 25761 6322 1 13 . 1 1 54 54 GLU H H 54 8.431 8.431 8.199 0.232 25761 6323 1 13 . 1 1 55 55 ALA N N 55 127.789 127.789 123.148 4.641 25761 6324 1 13 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.456 -0.196 25761 6325 1 13 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.343 -3.338 25761 6326 1 13 . 1 1 55 55 ALA CB C 55 19.682 19.682 20.728 -1.046 25761 6327 1 13 . 1 1 55 55 ALA H H 55 8.430 8.430 7.378 1.052 25761 6328 1 13 . 1 1 56 56 THR N N 56 111.341 111.341 112.100 -0.759 25761 6329 1 13 . 1 1 56 56 THR HA H 56 5.038 5.038 5.208 -0.170 25761 6330 1 13 . 1 1 56 56 THR CA C 56 58.078 58.078 60.547 -2.469 25761 6331 1 13 . 1 1 56 56 THR CB C 56 68.505 68.505 71.751 -3.246 25761 6332 1 13 . 1 1 56 56 THR H H 56 7.923 7.923 7.979 -0.056 25761 6333 1 13 . 1 1 57 57 ARG N N 57 124.295 124.295 119.986 4.309 25761 6334 1 13 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.898 -0.311 25761 6335 1 13 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.551 -2.227 25761 6336 1 13 . 1 1 57 57 ARG CB C 57 29.667 29.667 31.624 -1.957 25761 6337 1 13 . 1 1 57 57 ARG H H 57 9.054 9.054 8.559 0.495 25761 6338 1 13 . 1 1 58 58 GLY N N 58 109.220 109.220 108.364 0.856 25761 6339 1 13 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.213 -1.617 25761 6340 1 13 . 1 1 58 58 GLY H H 58 8.706 8.706 8.789 -0.083 25761 6341 1 13 . 1 1 59 59 ASP N N 59 120.555 120.555 120.969 -0.414 25761 6342 1 13 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.582 0.004 25761 6343 1 13 . 1 1 59 59 ASP CA C 59 50.369 50.369 54.065 -3.696 25761 6344 1 13 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.778 -3.381 25761 6345 1 13 . 1 1 59 59 ASP H H 59 8.194 8.194 7.795 0.399 25761 6346 1 13 . 1 1 60 60 GLY N N 60 107.833 107.833 107.998 -0.165 25761 6347 1 13 . 1 1 60 60 GLY CA C 60 42.913 42.913 44.925 -2.012 25761 6348 1 13 . 1 1 60 60 GLY H H 60 7.999 7.999 7.717 0.282 25761 6349 1 13 . 1 1 61 61 GLU N N 61 121.205 121.205 119.872 1.333 25761 6350 1 13 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.353 -0.167 25761 6351 1 13 . 1 1 61 61 GLU CA C 61 53.994 53.994 54.978 -0.984 25761 6352 1 13 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.676 -2.745 25761 6353 1 13 . 1 1 61 61 GLU H H 61 7.910 7.910 8.194 -0.284 25761 6354 1 13 . 1 1 62 62 ARG N N 62 125.261 125.261 126.467 -1.206 25761 6355 1 13 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.665 0.147 25761 6356 1 13 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.114 -3.228 25761 6357 1 13 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.364 -2.446 25761 6358 1 13 . 1 1 62 62 ARG H H 62 8.219 8.219 8.484 -0.265 25761 6359 1 13 . 1 1 63 63 PHE N N 63 120.777 120.777 117.258 3.519 25761 6360 1 13 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.451 0.428 25761 6361 1 13 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.227 -2.426 25761 6362 1 13 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.746 -1.583 25761 6363 1 13 . 1 1 63 63 PHE H H 63 8.431 8.431 7.481 0.950 25761 6364 1 13 . 1 1 64 64 TRP N N 64 119.550 119.550 121.702 -2.152 25761 6365 1 13 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.074 -0.048 25761 6366 1 13 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.547 -2.358 25761 6367 1 13 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.736 0.147 25761 6368 1 13 . 1 1 64 64 TRP H H 64 8.914 8.914 8.325 0.589 25761 6369 1 13 . 1 1 65 65 MET N N 65 118.324 118.324 121.309 -2.985 25761 6370 1 13 . 1 1 65 65 MET HA H 65 5.156 5.156 5.157 -0.001 25761 6371 1 13 . 1 1 65 65 MET CA C 65 50.438 50.438 53.943 -3.505 25761 6372 1 13 . 1 1 65 65 MET CB C 65 32.296 32.296 35.412 -3.116 25761 6373 1 13 . 1 1 65 65 MET H H 65 9.282 9.282 9.084 0.198 25761 6374 1 13 . 1 1 66 66 GLN N N 66 119.469 119.469 120.556 -1.087 25761 6375 1 13 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.924 0.590 25761 6376 1 13 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.828 -2.863 25761 6377 1 13 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.810 -0.310 25761 6378 1 13 . 1 1 66 66 GLN H H 66 8.785 8.785 8.990 -0.205 25761 6379 1 13 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.438 -0.317 25761 6380 1 13 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.829 -2.963 25761 6381 1 13 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.561 -2.524 25761 6382 1 13 . 1 1 68 68 VAL N N 68 119.433 119.433 121.048 -1.615 25761 6383 1 13 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.258 -0.299 25761 6384 1 13 . 1 1 68 68 VAL CA C 68 57.834 57.834 60.447 -2.613 25761 6385 1 13 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.990 -0.958 25761 6386 1 13 . 1 1 68 68 VAL H H 68 8.464 8.464 7.766 0.698 25761 6387 1 13 . 1 1 69 69 ARG N N 69 127.119 127.119 128.460 -1.341 25761 6388 1 13 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.382 -0.046 25761 6389 1 13 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.408 -3.596 25761 6390 1 13 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.440 -2.517 25761 6391 1 13 . 1 1 69 69 ARG H H 69 8.519 8.519 8.820 -0.301 25761 6392 1 13 . 1 1 70 70 SER N N 70 115.574 115.574 114.136 1.438 25761 6393 1 13 . 1 1 70 70 SER HA H 70 4.598 4.598 4.609 -0.011 25761 6394 1 13 . 1 1 70 70 SER CA C 70 54.127 54.127 56.340 -2.213 25761 6395 1 13 . 1 1 70 70 SER CB C 70 62.189 62.189 64.491 -2.302 25761 6396 1 13 . 1 1 70 70 SER H H 70 7.955 7.955 7.774 0.181 25761 6397 1 13 . 1 1 71 71 THR N N 71 114.592 114.592 116.257 -1.665 25761 6398 1 13 . 1 1 71 71 THR HA H 71 5.244 5.244 4.662 0.582 25761 6399 1 13 . 1 1 71 71 THR CA C 71 58.147 58.147 61.138 -2.991 25761 6400 1 13 . 1 1 71 71 THR CB C 71 66.895 66.895 69.180 -2.285 25761 6401 1 13 . 1 1 71 71 THR H H 71 8.285 8.285 8.390 -0.105 25761 6402 1 13 . 1 1 72 72 PHE N N 72 125.101 125.101 124.518 0.583 25761 6403 1 13 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.462 0.479 25761 6404 1 13 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.048 -3.913 25761 6405 1 13 . 1 1 72 72 PHE CB C 72 36.931 36.931 38.482 -1.551 25761 6406 1 13 . 1 1 72 72 PHE H H 72 8.649 8.649 7.519 1.130 25761 6407 1 13 . 1 1 73 73 GLU N N 73 129.014 129.014 126.192 2.822 25761 6408 1 13 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.968 -0.417 25761 6409 1 13 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.026 -1.611 25761 6410 1 13 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.106 6.786 25761 6411 1 13 . 1 1 73 73 GLU H H 73 9.018 9.018 8.696 0.322 25761 6412 1 13 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.156 -2.059 25761 6413 1 13 . 1 1 75 75 ASP N N 75 116.246 116.246 119.975 -3.729 25761 6414 1 13 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.682 -0.232 25761 6415 1 13 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.146 -1.596 25761 6416 1 13 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.836 -3.095 25761 6417 1 13 . 1 1 75 75 ASP H H 75 7.493 7.493 8.103 -0.610 25761 6418 1 13 . 1 1 76 76 LEU N N 76 121.503 121.503 121.448 0.055 25761 6419 1 13 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.108 -0.122 25761 6420 1 13 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.911 -3.667 25761 6421 1 13 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.147 -4.908 25761 6422 1 13 . 1 1 76 76 LEU H H 76 7.651 7.651 7.880 -0.229 25761 6423 1 13 . 1 1 77 77 ASP N N 77 120.554 120.554 119.133 1.421 25761 6424 1 13 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.337 -0.046 25761 6425 1 13 . 1 1 77 77 ASP CA C 77 54.695 54.695 58.003 -3.308 25761 6426 1 13 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.487 -3.293 25761 6427 1 13 . 1 1 77 77 ASP H H 77 8.117 8.117 8.761 -0.644 25761 6428 1 13 . 1 1 78 78 ALA N N 78 121.953 121.953 121.400 0.553 25761 6429 1 13 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.143 0.000 25761 6430 1 13 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.295 -1.925 25761 6431 1 13 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.555 -3.156 25761 6432 1 13 . 1 1 78 78 ALA H H 78 7.904 7.904 7.573 0.331 25761 6433 1 13 . 1 1 79 79 TYR N N 79 119.746 119.746 120.757 -1.011 25761 6434 1 13 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.030 -0.141 25761 6435 1 13 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.131 -2.746 25761 6436 1 13 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.186 -2.375 25761 6437 1 13 . 1 1 79 79 TYR H H 79 7.422 7.422 8.099 -0.677 25761 6438 1 13 . 1 1 80 80 ALA N N 80 122.107 122.107 119.224 2.883 25761 6439 1 13 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.031 -0.261 25761 6440 1 13 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.284 -2.754 25761 6441 1 13 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.071 -2.693 25761 6442 1 13 . 1 1 80 80 ALA H H 80 8.376 8.376 8.462 -0.086 25761 6443 1 13 . 1 1 81 81 GLU N N 81 118.620 118.620 118.307 0.313 25761 6444 1 13 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.013 -0.169 25761 6445 1 13 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.966 -2.253 25761 6446 1 13 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.511 -2.632 25761 6447 1 13 . 1 1 81 81 GLU H H 81 8.149 8.149 7.529 0.620 25761 6448 1 13 . 1 1 82 82 ARG N N 82 120.032 120.032 119.674 0.358 25761 6449 1 13 . 1 1 82 82 ARG HA H 82 3.748 3.748 3.952 -0.204 25761 6450 1 13 . 1 1 82 82 ARG CA C 82 56.787 56.787 59.065 -2.277 25761 6451 1 13 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.154 -5.001 25761 6452 1 13 . 1 1 82 82 ARG H H 82 7.535 7.535 8.266 -0.731 25761 6453 1 13 . 1 1 83 83 ALA N N 83 122.089 122.089 121.311 0.778 25761 6454 1 13 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.933 -0.225 25761 6455 1 13 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.982 -2.657 25761 6456 1 13 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.159 -2.490 25761 6457 1 13 . 1 1 83 83 ALA H H 83 8.467 8.467 8.242 0.225 25761 6458 1 13 . 1 1 84 84 ALA N N 84 118.529 118.529 117.867 0.662 25761 6459 1 13 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.259 -0.017 25761 6460 1 13 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.701 -3.712 25761 6461 1 13 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.165 -2.984 25761 6462 1 13 . 1 1 84 84 ALA H H 84 7.517 7.517 7.581 -0.064 25761 6463 1 13 . 1 1 85 85 ARG N N 85 117.478 117.478 117.134 0.344 25761 6464 1 13 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.318 -0.331 25761 6465 1 13 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.629 -1.938 25761 6466 1 13 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.812 -3.226 25761 6467 1 13 . 1 1 85 85 ARG H H 85 7.278 7.278 7.306 -0.028 25761 6468 1 13 . 1 1 86 86 ILE N N 86 118.079 118.079 118.175 -0.096 25761 6469 1 13 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.149 -0.402 25761 6470 1 13 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.646 -1.115 25761 6471 1 13 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.832 -3.619 25761 6472 1 13 . 1 1 86 86 ILE H H 86 7.286 7.286 7.541 -0.255 25761 6473 1 13 . 1 1 87 87 ASP N N 87 117.833 117.833 122.547 -4.714 25761 6474 1 13 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.693 0.287 25761 6475 1 13 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.119 -6.477 25761 6476 1 13 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.203 -2.027 25761 6477 1 13 . 1 1 87 87 ASP H H 87 7.973 7.973 7.766 0.207 25761 6478 1 13 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.426 0.215 25761 6479 1 13 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.111 -3.562 25761 6480 1 13 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.386 -2.827 25761 6481 1 13 . 1 1 89 89 ASP N N 89 120.189 120.189 117.414 2.775 25761 6482 1 13 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.793 -0.107 25761 6483 1 13 . 1 1 89 89 ASP CB C 89 39.373 39.373 42.047 -2.675 25761 6484 1 13 . 1 1 89 89 ASP H H 89 7.960 7.960 8.149 -0.189 25761 6485 1 13 . 1 1 90 90 ILE N N 90 120.372 120.372 121.605 -1.233 25761 6486 1 13 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.843 -0.288 25761 6487 1 13 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.107 0.915 25761 6488 1 13 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.881 -2.683 25761 6489 1 13 . 1 1 90 90 ILE H H 90 7.234 7.234 8.232 -0.998 25761 6490 1 13 . 1 1 91 91 TRP N N 91 122.596 122.596 126.288 -3.692 25761 6491 1 13 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.028 -0.139 25761 6492 1 13 . 1 1 91 91 TRP CA C 91 52.667 52.667 55.964 -3.297 25761 6493 1 13 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.330 -2.700 25761 6494 1 13 . 1 1 91 91 TRP H H 91 9.295 9.295 8.876 0.419 25761 6495 1 13 . 1 1 92 92 VAL N N 92 118.958 118.958 122.476 -3.518 25761 6496 1 13 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.372 0.776 25761 6497 1 13 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.828 -2.431 25761 6498 1 13 . 1 1 92 92 VAL CB C 92 31.825 31.825 32.715 -0.890 25761 6499 1 13 . 1 1 92 92 VAL H H 92 9.040 9.040 8.381 0.659 25761 6500 1 13 . 1 1 93 93 VAL N N 93 129.129 129.129 128.330 0.799 25761 6501 1 13 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.673 0.096 25761 6502 1 13 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.696 -3.381 25761 6503 1 13 . 1 1 93 93 VAL CB C 93 32.548 32.548 31.827 0.721 25761 6504 1 13 . 1 1 93 93 VAL H H 93 9.201 9.201 8.799 0.402 25761 6505 1 13 . 1 1 94 94 GLU N N 94 126.192 126.192 128.573 -2.381 25761 6506 1 13 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.671 0.741 25761 6507 1 13 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.896 -3.132 25761 6508 1 13 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.814 -2.230 25761 6509 1 13 . 1 1 94 94 GLU H H 94 9.161 9.161 9.045 0.116 25761 6510 1 13 . 1 1 95 95 ILE N N 95 125.285 125.285 126.557 -1.272 25761 6511 1 13 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.272 0.499 25761 6512 1 13 . 1 1 95 95 ILE CA C 95 57.319 57.319 60.950 -3.631 25761 6513 1 13 . 1 1 95 95 ILE CB C 95 38.475 38.475 39.449 -0.974 25761 6514 1 13 . 1 1 95 95 ILE H H 95 9.347 9.347 8.188 1.159 25761 6515 1 13 . 1 1 96 96 GLU N N 96 128.539 128.539 129.289 -0.750 25761 6516 1 13 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.646 0.509 25761 6517 1 13 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.715 -3.164 25761 6518 1 13 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.012 -1.952 25761 6519 1 13 . 1 1 96 96 GLU H H 96 9.390 9.390 8.370 1.020 25761 6520 1 13 . 1 1 97 97 ASP N N 97 123.516 123.516 125.278 -1.762 25761 6521 1 13 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.194 0.125 25761 6522 1 13 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.702 -1.933 25761 6523 1 13 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.030 1.807 25761 6524 1 13 . 1 1 97 97 ASP H H 97 8.582 8.582 8.323 0.259 25761 6525 1 13 . 1 1 98 98 ARG N N 98 127.597 127.597 120.918 6.679 25761 6526 1 13 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.211 -0.140 25761 6527 1 13 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.352 -2.865 25761 6528 1 13 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.294 -2.724 25761 6529 1 13 . 1 1 98 98 ARG H H 98 8.914 8.914 8.681 0.233 25761 6530 1 13 . 1 1 99 99 ASP N N 99 115.196 115.196 117.107 -1.911 25761 6531 1 13 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.600 0.378 25761 6532 1 13 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.859 -2.851 25761 6533 1 13 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.278 -0.496 25761 6534 1 13 . 1 1 99 99 ASP H H 99 7.379 7.379 8.200 -0.821 25761 6535 1 13 . 1 1 100 100 GLY N N 100 106.976 106.976 107.995 -1.019 25761 6536 1 13 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.626 -0.993 25761 6537 1 13 . 1 1 100 100 GLY H H 100 7.481 7.481 7.380 0.101 25761 6538 1 13 . 1 1 101 101 ARG N N 101 120.072 120.072 118.702 1.370 25761 6539 1 13 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.131 -0.689 25761 6540 1 13 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.899 -2.712 25761 6541 1 13 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.187 -3.328 25761 6542 1 13 . 1 1 101 101 ARG H H 101 8.798 8.798 8.175 0.623 25761 6543 1 13 . 1 1 102 102 HIS N N 102 112.990 112.990 114.490 -1.500 25761 6544 1 13 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.730 -0.377 25761 6545 1 13 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.820 -4.137 25761 6546 1 13 . 1 1 102 102 HIS CB C 102 29.524 29.524 31.599 -2.075 25761 6547 1 13 . 1 1 102 102 HIS H H 102 5.928 5.928 8.001 -2.073 25761 6548 1 13 . 1 1 103 103 PHE N N 103 106.623 106.623 116.270 -9.647 25761 6549 1 13 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.068 -0.675 25761 6550 1 13 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.092 -1.217 25761 6551 1 13 . 1 1 103 103 PHE CB C 103 33.351 33.351 37.321 -3.970 25761 6552 1 13 . 1 1 103 103 PHE H H 103 6.660 6.660 7.334 -0.674 25761 6553 1 13 . 1 1 104 104 LEU N N 104 123.743 123.743 118.786 4.957 25761 6554 1 13 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.663 -0.415 25761 6555 1 13 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.433 -2.583 25761 6556 1 13 . 1 1 104 104 LEU CB C 104 38.257 38.257 43.041 -4.784 25761 6557 1 13 . 1 1 104 104 LEU H H 104 10.737 10.737 7.449 3.288 25761 6558 1 13 . 1 1 105 105 THR N N 105 113.822 113.822 115.047 -1.225 25761 6559 1 13 . 1 1 105 105 THR HA H 105 4.313 4.313 4.546 -0.233 25761 6560 1 13 . 1 1 105 105 THR CA C 105 59.658 59.658 61.951 -2.293 25761 6561 1 13 . 1 1 105 105 THR CB C 105 66.210 66.210 68.826 -2.616 25761 6562 1 13 . 1 1 105 105 THR H H 105 9.213 9.213 8.417 0.796 25761 6563 1 13 . 1 1 106 106 GLU N N 106 123.871 123.871 120.742 3.129 25761 6564 1 13 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.733 -0.120 25761 6565 1 13 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.172 -7.037 25761 6566 1 13 . 1 1 106 106 GLU H H 106 7.734 7.734 8.343 -0.609 25761 6567 1 13 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.503 -0.239 25761 6568 1 13 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.936 -1.472 25761 6569 1 13 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.323 -2.520 25761 6570 1 13 . 1 1 108 108 VAL N N 108 120.628 120.628 120.488 0.140 25761 6571 1 13 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.018 -3.210 25761 6572 1 13 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.953 -1.763 25761 6573 1 13 . 1 1 108 108 VAL H H 108 8.137 8.137 8.317 -0.180 25761 6574 1 13 . 1 1 109 109 GLU N N 109 128.850 128.850 128.335 0.515 25761 6575 1 13 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.364 0.075 25761 6576 1 13 . 1 1 109 109 GLU CA C 109 53.908 53.908 57.098 -3.190 25761 6577 1 13 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.173 -2.726 25761 6578 1 13 . 1 1 109 109 GLU H H 109 9.095 9.095 8.785 0.310 25761 6579 1 14 . 1 1 2 2 MET HA H 2 4.380 4.380 5.174 -0.794 25761 6580 1 14 . 1 1 2 2 MET CA C 2 52.819 52.819 54.742 -1.923 25761 6581 1 14 . 1 1 2 2 MET CB C 2 30.830 30.830 35.226 -4.396 25761 6582 1 14 . 1 1 3 3 LEU N N 3 123.960 123.960 123.803 0.157 25761 6583 1 14 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.767 -0.477 25761 6584 1 14 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.844 -2.174 25761 6585 1 14 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.455 -2.527 25761 6586 1 14 . 1 1 3 3 LEU H H 3 8.399 8.399 8.579 -0.180 25761 6587 1 14 . 1 1 4 4 LEU N N 4 123.372 123.372 122.206 1.166 25761 6588 1 14 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.504 -0.047 25761 6589 1 14 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.018 -3.371 25761 6590 1 14 . 1 1 4 4 LEU CB C 4 41.002 41.002 43.364 -2.362 25761 6591 1 14 . 1 1 4 4 LEU H H 4 8.134 8.134 8.324 -0.190 25761 6592 1 14 . 1 1 5 5 SER N N 5 117.439 117.439 111.987 5.452 25761 6593 1 14 . 1 1 5 5 SER HA H 5 4.628 4.628 4.253 0.375 25761 6594 1 14 . 1 1 5 5 SER CA C 5 56.192 56.192 56.624 -0.432 25761 6595 1 14 . 1 1 5 5 SER CB C 5 61.291 61.291 65.530 -4.239 25761 6596 1 14 . 1 1 5 5 SER H H 5 8.075 8.075 7.261 0.814 25761 6597 1 14 . 1 1 6 6 THR N N 6 121.297 121.297 119.393 1.904 25761 6598 1 14 . 1 1 6 6 THR HA H 6 3.713 3.713 3.878 -0.165 25761 6599 1 14 . 1 1 6 6 THR CA C 6 64.981 64.981 66.944 -1.963 25761 6600 1 14 . 1 1 6 6 THR CB C 6 65.860 65.860 68.412 -2.552 25761 6601 1 14 . 1 1 6 6 THR H H 6 7.681 7.681 8.361 -0.680 25761 6602 1 14 . 1 1 7 7 ASP N N 7 119.550 119.550 120.440 -0.890 25761 6603 1 14 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.619 0.123 25761 6604 1 14 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.908 -1.911 25761 6605 1 14 . 1 1 7 7 ASP CB C 7 36.792 36.792 39.888 -3.095 25761 6606 1 14 . 1 1 7 7 ASP H H 7 9.044 9.044 7.739 1.305 25761 6607 1 14 . 1 1 8 8 ILE N N 8 123.495 123.495 120.376 3.119 25761 6608 1 14 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.643 0.078 25761 6609 1 14 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.560 -2.585 25761 6610 1 14 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.332 -1.205 25761 6611 1 14 . 1 1 8 8 ILE H H 8 7.749 7.749 7.684 0.065 25761 6612 1 14 . 1 1 9 9 TRP N N 9 124.446 124.446 119.492 4.954 25761 6613 1 14 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.380 -0.536 25761 6614 1 14 . 1 1 9 9 TRP CA C 9 60.136 60.136 59.824 0.312 25761 6615 1 14 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.493 -1.518 25761 6616 1 14 . 1 1 9 9 TRP H H 9 8.232 8.232 7.397 0.835 25761 6617 1 14 . 1 1 10 10 VAL N N 10 121.207 121.207 119.551 1.656 25761 6618 1 14 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.577 -0.412 25761 6619 1 14 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.256 -2.021 25761 6620 1 14 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.606 -1.590 25761 6621 1 14 . 1 1 10 10 VAL H H 10 9.240 9.240 7.685 1.555 25761 6622 1 14 . 1 1 11 11 ALA N N 11 120.679 120.679 122.523 -1.844 25761 6623 1 14 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.939 -0.090 25761 6624 1 14 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.474 -2.995 25761 6625 1 14 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.017 -2.872 25761 6626 1 14 . 1 1 11 11 ALA H H 11 7.718 7.718 8.347 -0.629 25761 6627 1 14 . 1 1 12 12 ALA N N 12 120.217 120.217 121.213 -0.996 25761 6628 1 14 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.069 -0.164 25761 6629 1 14 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.868 -2.872 25761 6630 1 14 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.407 -3.469 25761 6631 1 14 . 1 1 12 12 ALA H H 12 7.642 7.642 7.505 0.137 25761 6632 1 14 . 1 1 13 13 LEU N N 13 122.821 122.821 120.476 2.345 25761 6633 1 14 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.050 -0.505 25761 6634 1 14 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.952 -2.411 25761 6635 1 14 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.961 -3.512 25761 6636 1 14 . 1 1 13 13 LEU H H 13 7.320 7.320 8.156 -0.836 25761 6637 1 14 . 1 1 14 14 ILE N N 14 117.258 117.258 118.991 -1.733 25761 6638 1 14 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.530 -0.478 25761 6639 1 14 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.572 -2.367 25761 6640 1 14 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.647 -1.870 25761 6641 1 14 . 1 1 14 14 ILE H H 14 8.105 8.105 8.030 0.075 25761 6642 1 14 . 1 1 15 15 ARG N N 15 117.921 117.921 118.932 -1.011 25761 6643 1 14 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.915 0.045 25761 6644 1 14 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.647 -3.579 25761 6645 1 14 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.762 -2.460 25761 6646 1 14 . 1 1 15 15 ARG H H 15 7.574 7.574 7.790 -0.216 25761 6647 1 14 . 1 1 16 16 ARG N N 16 118.635 118.635 119.430 -0.795 25761 6648 1 14 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.932 -0.231 25761 6649 1 14 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.132 -1.478 25761 6650 1 14 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.846 -1.715 25761 6651 1 14 . 1 1 16 16 ARG H H 16 7.832 7.832 8.453 -0.621 25761 6652 1 14 . 1 1 17 17 ALA N N 17 122.335 122.335 120.609 1.726 25761 6653 1 14 . 1 1 17 17 ALA HA H 17 3.052 3.052 1.951 1.101 25761 6654 1 14 . 1 1 17 17 ALA CA C 17 62.360 62.360 53.726 8.634 25761 6655 1 14 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.555 -2.002 25761 6656 1 14 . 1 1 17 17 ALA H H 17 7.856 7.856 7.502 0.354 25761 6657 1 14 . 1 1 18 18 GLU N N 18 118.223 118.223 119.052 -0.829 25761 6658 1 14 . 1 1 18 18 GLU HA H 18 3.991 3.991 3.911 0.080 25761 6659 1 14 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.442 -1.953 25761 6660 1 14 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.425 -2.639 25761 6661 1 14 . 1 1 18 18 GLU H H 18 8.303 8.303 7.782 0.521 25761 6662 1 14 . 1 1 19 19 LEU N N 19 122.454 122.454 119.632 2.822 25761 6663 1 14 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.122 -0.118 25761 6664 1 14 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.124 -2.267 25761 6665 1 14 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.896 -2.781 25761 6666 1 14 . 1 1 19 19 LEU H H 19 8.402 8.402 8.258 0.144 25761 6667 1 14 . 1 1 20 20 GLY N N 20 105.446 105.446 104.253 1.193 25761 6668 1 14 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.675 -1.932 25761 6669 1 14 . 1 1 20 20 GLY H H 20 7.468 7.468 7.457 0.011 25761 6670 1 14 . 1 1 21 21 GLY N N 21 107.714 107.714 109.403 -1.689 25761 6671 1 14 . 1 1 21 21 GLY CA C 21 42.627 42.627 45.085 -2.458 25761 6672 1 14 . 1 1 21 21 GLY H H 21 7.754 7.754 7.535 0.219 25761 6673 1 14 . 1 1 22 22 ALA N N 22 123.725 123.725 124.393 -0.668 25761 6674 1 14 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.547 0.117 25761 6675 1 14 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.893 -2.655 25761 6676 1 14 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.629 -2.346 25761 6677 1 14 . 1 1 22 22 ALA H H 22 8.012 8.012 7.446 0.566 25761 6678 1 14 . 1 1 23 23 PHE N N 23 117.564 117.564 121.512 -3.948 25761 6679 1 14 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.817 0.022 25761 6680 1 14 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.009 -3.247 25761 6681 1 14 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.215 -2.559 25761 6682 1 14 . 1 1 23 23 PHE H H 23 8.128 8.128 8.137 -0.009 25761 6683 1 14 . 1 1 24 24 ALA N N 24 128.638 128.638 129.321 -0.683 25761 6684 1 14 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.587 -0.135 25761 6685 1 14 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.455 -2.944 25761 6686 1 14 . 1 1 24 24 ALA CB C 24 21.378 21.378 21.880 -0.502 25761 6687 1 14 . 1 1 24 24 ALA H H 24 8.542 8.542 8.102 0.440 25761 6688 1 14 . 1 1 25 25 THR N N 25 115.207 115.207 114.074 1.133 25761 6689 1 14 . 1 1 25 25 THR HA H 25 4.394 4.394 4.498 -0.104 25761 6690 1 14 . 1 1 25 25 THR CA C 25 57.830 57.830 61.703 -3.873 25761 6691 1 14 . 1 1 25 25 THR CB C 25 69.095 69.095 71.330 -2.235 25761 6692 1 14 . 1 1 25 25 THR H H 25 9.003 9.003 8.286 0.717 25761 6693 1 14 . 1 1 26 26 VAL N N 26 125.712 125.712 124.171 1.541 25761 6694 1 14 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.728 -0.546 25761 6695 1 14 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.257 -0.771 25761 6696 1 14 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.265 -4.717 25761 6697 1 14 . 1 1 26 26 VAL H H 26 8.739 8.739 8.493 0.246 25761 6698 1 14 . 1 1 27 27 ALA N N 27 134.206 134.206 131.541 2.665 25761 6699 1 14 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.619 -0.374 25761 6700 1 14 . 1 1 27 27 ALA CA C 27 50.742 50.742 51.988 -1.246 25761 6701 1 14 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.223 -3.692 25761 6702 1 14 . 1 1 27 27 ALA H H 27 8.412 8.412 9.249 -0.837 25761 6703 1 14 . 1 1 28 28 ARG N N 28 117.751 117.751 118.702 -0.951 25761 6704 1 14 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.502 -0.294 25761 6705 1 14 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.293 -1.635 25761 6706 1 14 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.886 -2.886 25761 6707 1 14 . 1 1 28 28 ARG H H 28 8.090 8.090 7.636 0.454 25761 6708 1 14 . 1 1 29 29 LYS N N 29 128.417 128.417 121.749 6.668 25761 6709 1 14 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.664 -0.555 25761 6710 1 14 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.847 -2.055 25761 6711 1 14 . 1 1 29 29 LYS CB C 29 30.289 30.289 32.781 -2.492 25761 6712 1 14 . 1 1 29 29 LYS H H 29 8.536 8.536 8.340 0.196 25761 6713 1 14 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.908 -3.050 25761 6714 1 14 . 1 1 31 31 ASP N N 31 120.477 120.477 119.497 0.980 25761 6715 1 14 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.541 -0.037 25761 6716 1 14 . 1 1 31 31 ASP CA C 31 52.637 52.637 55.241 -2.604 25761 6717 1 14 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.495 -2.145 25761 6718 1 14 . 1 1 31 31 ASP H H 31 8.445 8.445 8.027 0.418 25761 6719 1 14 . 1 1 32 32 ALA N N 32 133.865 133.865 130.668 3.197 25761 6720 1 14 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.466 -0.097 25761 6721 1 14 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.026 -1.738 25761 6722 1 14 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.218 -2.163 25761 6723 1 14 . 1 1 32 32 ALA H H 32 9.236 9.236 9.048 0.188 25761 6724 1 14 . 1 1 33 33 ARG N N 33 113.991 113.991 114.696 -0.705 25761 6725 1 14 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.399 0.016 25761 6726 1 14 . 1 1 33 33 ARG CA C 33 55.785 55.785 57.157 -1.372 25761 6727 1 14 . 1 1 33 33 ARG CB C 33 28.183 28.183 32.229 -4.046 25761 6728 1 14 . 1 1 33 33 ARG H H 33 7.913 7.913 8.448 -0.535 25761 6729 1 14 . 1 1 34 34 ALA N N 34 120.593 120.593 121.745 -1.152 25761 6730 1 14 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.628 0.046 25761 6731 1 14 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.185 -2.649 25761 6732 1 14 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.027 -2.213 25761 6733 1 14 . 1 1 34 34 ALA H H 34 8.306 8.306 8.116 0.190 25761 6734 1 14 . 1 1 35 35 GLY N N 35 107.349 107.349 107.487 -0.138 25761 6735 1 14 . 1 1 35 35 GLY CA C 35 44.450 44.450 43.982 0.468 25761 6736 1 14 . 1 1 35 35 GLY H H 35 7.715 7.715 7.615 0.100 25761 6737 1 14 . 1 1 36 36 ALA N N 36 127.073 127.073 126.778 0.295 25761 6738 1 14 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.913 -0.555 25761 6739 1 14 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.490 -2.349 25761 6740 1 14 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.593 -3.626 25761 6741 1 14 . 1 1 36 36 ALA H H 36 8.935 8.935 8.336 0.599 25761 6742 1 14 . 1 1 37 37 VAL N N 37 116.903 116.903 116.982 -0.079 25761 6743 1 14 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.070 -0.321 25761 6744 1 14 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.608 -2.026 25761 6745 1 14 . 1 1 37 37 VAL H H 37 7.830 7.830 9.139 -1.309 25761 6746 1 14 . 1 1 38 38 LEU N N 38 126.366 126.366 123.920 2.446 25761 6747 1 14 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.174 0.357 25761 6748 1 14 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.573 -2.698 25761 6749 1 14 . 1 1 38 38 LEU CB C 38 41.970 41.970 45.987 -4.017 25761 6750 1 14 . 1 1 38 38 LEU H H 38 8.926 8.926 8.693 0.233 25761 6751 1 14 . 1 1 39 39 VAL N N 39 121.843 121.843 120.526 1.317 25761 6752 1 14 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.550 0.329 25761 6753 1 14 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.050 -2.707 25761 6754 1 14 . 1 1 39 39 VAL CB C 39 32.192 32.192 34.657 -2.465 25761 6755 1 14 . 1 1 39 39 VAL H H 39 8.819 8.819 8.953 -0.134 25761 6756 1 14 . 1 1 40 40 LYS N N 40 129.592 129.592 127.314 2.278 25761 6757 1 14 . 1 1 40 40 LYS HA H 40 5.279 5.279 5.039 0.240 25761 6758 1 14 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.480 -6.489 25761 6759 1 14 . 1 1 40 40 LYS CB C 40 31.682 31.682 36.893 -5.211 25761 6760 1 14 . 1 1 40 40 LYS H H 40 9.438 9.438 8.762 0.676 25761 6761 1 14 . 1 1 41 41 ALA N N 41 131.659 131.659 127.251 4.408 25761 6762 1 14 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.336 -0.087 25761 6763 1 14 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.823 0.993 25761 6764 1 14 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.978 -5.333 25761 6765 1 14 . 1 1 41 41 ALA H H 41 9.349 9.349 8.793 0.556 25761 6766 1 14 . 1 1 42 42 VAL N N 42 127.668 127.668 123.488 4.180 25761 6767 1 14 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.459 -0.190 25761 6768 1 14 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.694 -2.073 25761 6769 1 14 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.940 -3.062 25761 6770 1 14 . 1 1 42 42 VAL H H 42 9.517 9.517 8.819 0.698 25761 6771 1 14 . 1 1 43 43 ASP N N 43 127.524 127.524 127.707 -0.183 25761 6772 1 14 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.117 -0.231 25761 6773 1 14 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.969 -4.339 25761 6774 1 14 . 1 1 43 43 ASP CB C 43 38.527 38.527 42.689 -4.162 25761 6775 1 14 . 1 1 43 43 ASP H H 43 8.821 8.821 8.878 -0.057 25761 6776 1 14 . 1 1 44 44 ARG N N 44 123.676 123.676 125.976 -2.300 25761 6777 1 14 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.439 -0.344 25761 6778 1 14 . 1 1 44 44 ARG CA C 44 54.671 54.671 55.429 -0.758 25761 6779 1 14 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.556 -2.462 25761 6780 1 14 . 1 1 44 44 ARG H H 44 8.435 8.435 8.912 -0.477 25761 6781 1 14 . 1 1 45 45 ARG N N 45 120.486 120.486 119.563 0.923 25761 6782 1 14 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.459 -0.328 25761 6783 1 14 . 1 1 45 45 ARG CA C 45 56.607 56.607 57.510 -0.903 25761 6784 1 14 . 1 1 45 45 ARG CB C 45 28.064 28.064 31.457 -3.393 25761 6785 1 14 . 1 1 45 45 ARG H H 45 8.551 8.551 9.070 -0.519 25761 6786 1 14 . 1 1 46 46 GLU N N 46 116.189 116.189 118.842 -2.653 25761 6787 1 14 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.204 0.049 25761 6788 1 14 . 1 1 46 46 GLU CA C 46 53.438 53.438 57.204 -3.766 25761 6789 1 14 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.046 -1.430 25761 6790 1 14 . 1 1 46 46 GLU H H 46 7.918 7.918 8.754 -0.836 25761 6791 1 14 . 1 1 47 47 GLY N N 47 108.218 108.218 108.028 0.190 25761 6792 1 14 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.381 -1.411 25761 6793 1 14 . 1 1 47 47 GLY H H 47 8.159 8.159 8.095 0.064 25761 6794 1 14 . 1 1 48 48 THR N N 48 109.683 109.683 109.741 -0.058 25761 6795 1 14 . 1 1 48 48 THR HA H 48 4.639 4.639 4.381 0.258 25761 6796 1 14 . 1 1 48 48 THR CA C 48 57.215 57.215 60.276 -3.062 25761 6797 1 14 . 1 1 48 48 THR CB C 48 69.275 69.275 70.480 -1.205 25761 6798 1 14 . 1 1 48 48 THR H H 48 7.485 7.485 7.162 0.323 25761 6799 1 14 . 1 1 49 49 ALA N N 49 122.571 122.571 123.011 -0.440 25761 6800 1 14 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.105 0.051 25761 6801 1 14 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.319 -3.308 25761 6802 1 14 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.136 -1.132 25761 6803 1 14 . 1 1 49 49 ALA H H 49 8.530 8.530 8.480 0.050 25761 6804 1 14 . 1 1 50 50 ARG N N 50 115.654 115.654 119.294 -3.640 25761 6805 1 14 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.640 0.000 25761 6806 1 14 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.714 -3.208 25761 6807 1 14 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.813 -0.981 25761 6808 1 14 . 1 1 50 50 ARG H H 50 8.168 8.168 8.746 -0.578 25761 6809 1 14 . 1 1 51 51 LEU N N 51 122.400 122.400 120.602 1.798 25761 6810 1 14 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.737 0.537 25761 6811 1 14 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.087 -3.711 25761 6812 1 14 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.930 -1.771 25761 6813 1 14 . 1 1 51 51 LEU H H 51 8.213 8.213 8.327 -0.114 25761 6814 1 14 . 1 1 52 52 PHE N N 52 124.579 124.579 123.371 1.208 25761 6815 1 14 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.595 -0.045 25761 6816 1 14 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.026 -2.352 25761 6817 1 14 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.706 -2.087 25761 6818 1 14 . 1 1 52 52 PHE H H 52 9.546 9.546 9.300 0.246 25761 6819 1 14 . 1 1 53 53 SER N N 53 115.953 115.953 117.178 -1.225 25761 6820 1 14 . 1 1 53 53 SER HA H 53 5.267 5.267 5.261 0.006 25761 6821 1 14 . 1 1 53 53 SER CA C 53 53.513 53.513 57.278 -3.765 25761 6822 1 14 . 1 1 53 53 SER CB C 53 64.255 64.255 66.570 -2.316 25761 6823 1 14 . 1 1 53 53 SER H H 53 9.727 9.727 9.248 0.479 25761 6824 1 14 . 1 1 54 54 GLU N N 54 124.987 124.987 123.334 1.653 25761 6825 1 14 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.185 -0.577 25761 6826 1 14 . 1 1 54 54 GLU CA C 54 53.317 53.317 56.176 -2.859 25761 6827 1 14 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.433 2.244 25761 6828 1 14 . 1 1 54 54 GLU H H 54 8.431 8.431 8.350 0.081 25761 6829 1 14 . 1 1 55 55 ALA N N 55 127.789 127.789 126.483 1.306 25761 6830 1 14 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.603 -0.343 25761 6831 1 14 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.204 -3.199 25761 6832 1 14 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.370 -1.688 25761 6833 1 14 . 1 1 55 55 ALA H H 55 8.430 8.430 7.432 0.998 25761 6834 1 14 . 1 1 56 56 THR N N 56 111.341 111.341 112.282 -0.941 25761 6835 1 14 . 1 1 56 56 THR HA H 56 5.038 5.038 5.245 -0.207 25761 6836 1 14 . 1 1 56 56 THR CA C 56 58.078 58.078 60.407 -2.329 25761 6837 1 14 . 1 1 56 56 THR CB C 56 68.505 68.505 72.092 -3.587 25761 6838 1 14 . 1 1 56 56 THR H H 56 7.923 7.923 8.063 -0.140 25761 6839 1 14 . 1 1 57 57 ARG N N 57 124.295 124.295 122.512 1.783 25761 6840 1 14 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.704 -0.117 25761 6841 1 14 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.657 -3.332 25761 6842 1 14 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.587 -0.920 25761 6843 1 14 . 1 1 57 57 ARG H H 57 9.054 9.054 8.786 0.268 25761 6844 1 14 . 1 1 58 58 GLY N N 58 109.220 109.220 108.187 1.033 25761 6845 1 14 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.480 -1.883 25761 6846 1 14 . 1 1 58 58 GLY H H 58 8.706 8.706 8.790 -0.084 25761 6847 1 14 . 1 1 59 59 ASP N N 59 120.555 120.555 120.464 0.091 25761 6848 1 14 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.563 0.023 25761 6849 1 14 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.290 -2.921 25761 6850 1 14 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.424 -3.027 25761 6851 1 14 . 1 1 59 59 ASP H H 59 8.194 8.194 8.012 0.182 25761 6852 1 14 . 1 1 60 60 GLY N N 60 107.833 107.833 108.171 -0.338 25761 6853 1 14 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.371 -2.458 25761 6854 1 14 . 1 1 60 60 GLY H H 60 7.999 7.999 7.716 0.283 25761 6855 1 14 . 1 1 61 61 GLU N N 61 121.205 121.205 119.364 1.841 25761 6856 1 14 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.391 -0.205 25761 6857 1 14 . 1 1 61 61 GLU CA C 61 53.994 53.994 54.799 -0.805 25761 6858 1 14 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.848 -2.917 25761 6859 1 14 . 1 1 61 61 GLU H H 61 7.910 7.910 8.204 -0.294 25761 6860 1 14 . 1 1 62 62 ARG N N 62 125.261 125.261 128.293 -3.032 25761 6861 1 14 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.481 0.331 25761 6862 1 14 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.650 -3.763 25761 6863 1 14 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.218 -2.300 25761 6864 1 14 . 1 1 62 62 ARG H H 62 8.219 8.219 8.508 -0.289 25761 6865 1 14 . 1 1 63 63 PHE N N 63 120.777 120.777 119.018 1.759 25761 6866 1 14 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.767 0.112 25761 6867 1 14 . 1 1 63 63 PHE CA C 63 52.800 52.800 54.952 -2.151 25761 6868 1 14 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.525 -1.362 25761 6869 1 14 . 1 1 63 63 PHE H H 63 8.431 8.431 7.321 1.110 25761 6870 1 14 . 1 1 64 64 TRP N N 64 119.550 119.550 122.116 -2.566 25761 6871 1 14 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.134 -0.108 25761 6872 1 14 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.613 -2.424 25761 6873 1 14 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.702 0.181 25761 6874 1 14 . 1 1 64 64 TRP H H 64 8.914 8.914 8.282 0.632 25761 6875 1 14 . 1 1 65 65 MET N N 65 118.324 118.324 120.327 -2.003 25761 6876 1 14 . 1 1 65 65 MET HA H 65 5.156 5.156 5.183 -0.027 25761 6877 1 14 . 1 1 65 65 MET CA C 65 50.438 50.438 54.739 -4.301 25761 6878 1 14 . 1 1 65 65 MET CB C 65 32.296 32.296 34.374 -2.078 25761 6879 1 14 . 1 1 65 65 MET H H 65 9.282 9.282 9.094 0.188 25761 6880 1 14 . 1 1 66 66 GLN N N 66 119.469 119.469 119.183 0.286 25761 6881 1 14 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.761 0.753 25761 6882 1 14 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.714 -2.749 25761 6883 1 14 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.570 -0.070 25761 6884 1 14 . 1 1 66 66 GLN H H 66 8.785 8.785 8.907 -0.122 25761 6885 1 14 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.306 -0.185 25761 6886 1 14 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.753 -2.887 25761 6887 1 14 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.114 -2.077 25761 6888 1 14 . 1 1 68 68 VAL N N 68 119.433 119.433 120.823 -1.390 25761 6889 1 14 . 1 1 68 68 VAL HA H 68 3.959 3.959 3.982 -0.023 25761 6890 1 14 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.119 -4.285 25761 6891 1 14 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.309 -0.277 25761 6892 1 14 . 1 1 68 68 VAL H H 68 8.464 8.464 7.646 0.818 25761 6893 1 14 . 1 1 69 69 ARG N N 69 127.119 127.119 129.310 -2.191 25761 6894 1 14 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.261 0.075 25761 6895 1 14 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.990 -4.178 25761 6896 1 14 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.123 -2.200 25761 6897 1 14 . 1 1 69 69 ARG H H 69 8.519 8.519 8.644 -0.125 25761 6898 1 14 . 1 1 70 70 SER N N 70 115.574 115.574 113.936 1.638 25761 6899 1 14 . 1 1 70 70 SER HA H 70 4.598 4.598 4.657 -0.059 25761 6900 1 14 . 1 1 70 70 SER CA C 70 54.127 54.127 56.669 -2.542 25761 6901 1 14 . 1 1 70 70 SER CB C 70 62.189 62.189 64.222 -2.033 25761 6902 1 14 . 1 1 70 70 SER H H 70 7.955 7.955 7.928 0.027 25761 6903 1 14 . 1 1 71 71 THR N N 71 114.592 114.592 112.259 2.333 25761 6904 1 14 . 1 1 71 71 THR HA H 71 5.244 5.244 4.582 0.662 25761 6905 1 14 . 1 1 71 71 THR CA C 71 58.147 58.147 61.342 -3.195 25761 6906 1 14 . 1 1 71 71 THR CB C 71 66.895 66.895 69.551 -2.656 25761 6907 1 14 . 1 1 71 71 THR H H 71 8.285 8.285 8.232 0.053 25761 6908 1 14 . 1 1 72 72 PHE N N 72 125.101 125.101 124.759 0.342 25761 6909 1 14 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.340 0.601 25761 6910 1 14 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.166 -5.031 25761 6911 1 14 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.405 -2.474 25761 6912 1 14 . 1 1 72 72 PHE H H 72 8.649 8.649 7.483 1.166 25761 6913 1 14 . 1 1 73 73 GLU N N 73 129.014 129.014 125.882 3.132 25761 6914 1 14 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.040 -0.489 25761 6915 1 14 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.764 -2.349 25761 6916 1 14 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.184 5.708 25761 6917 1 14 . 1 1 73 73 GLU H H 73 9.018 9.018 9.211 -0.193 25761 6918 1 14 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.206 -2.109 25761 6919 1 14 . 1 1 75 75 ASP N N 75 116.246 116.246 120.638 -4.392 25761 6920 1 14 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.559 -0.109 25761 6921 1 14 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.776 -2.226 25761 6922 1 14 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.771 -3.030 25761 6923 1 14 . 1 1 75 75 ASP H H 75 7.493 7.493 7.861 -0.368 25761 6924 1 14 . 1 1 76 76 LEU N N 76 121.503 121.503 120.525 0.978 25761 6925 1 14 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.011 -0.025 25761 6926 1 14 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.184 -3.940 25761 6927 1 14 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.046 -4.807 25761 6928 1 14 . 1 1 76 76 LEU H H 76 7.651 7.651 8.283 -0.632 25761 6929 1 14 . 1 1 77 77 ASP N N 77 120.554 120.554 118.816 1.738 25761 6930 1 14 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.359 -0.068 25761 6931 1 14 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.244 -2.549 25761 6932 1 14 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.793 -3.599 25761 6933 1 14 . 1 1 77 77 ASP H H 77 8.117 8.117 8.358 -0.241 25761 6934 1 14 . 1 1 78 78 ALA N N 78 121.953 121.953 121.562 0.391 25761 6935 1 14 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.063 0.080 25761 6936 1 14 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.652 -2.282 25761 6937 1 14 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.201 -2.802 25761 6938 1 14 . 1 1 78 78 ALA H H 78 7.904 7.904 7.565 0.339 25761 6939 1 14 . 1 1 79 79 TYR N N 79 119.746 119.746 120.319 -0.573 25761 6940 1 14 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.054 -0.165 25761 6941 1 14 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.817 -2.432 25761 6942 1 14 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.259 -2.448 25761 6943 1 14 . 1 1 79 79 TYR H H 79 7.422 7.422 8.283 -0.861 25761 6944 1 14 . 1 1 80 80 ALA N N 80 122.107 122.107 120.268 1.839 25761 6945 1 14 . 1 1 80 80 ALA HA H 80 3.770 3.770 3.925 -0.155 25761 6946 1 14 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.166 -2.636 25761 6947 1 14 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.077 -2.699 25761 6948 1 14 . 1 1 80 80 ALA H H 80 8.376 8.376 7.941 0.435 25761 6949 1 14 . 1 1 81 81 GLU N N 81 118.620 118.620 118.013 0.607 25761 6950 1 14 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.009 -0.165 25761 6951 1 14 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.005 -2.292 25761 6952 1 14 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.556 -2.677 25761 6953 1 14 . 1 1 81 81 GLU H H 81 8.149 8.149 7.475 0.674 25761 6954 1 14 . 1 1 82 82 ARG N N 82 120.032 120.032 118.728 1.304 25761 6955 1 14 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.048 -0.300 25761 6956 1 14 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.377 -1.590 25761 6957 1 14 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.490 -5.337 25761 6958 1 14 . 1 1 82 82 ARG H H 82 7.535 7.535 7.852 -0.317 25761 6959 1 14 . 1 1 83 83 ALA N N 83 122.089 122.089 121.106 0.983 25761 6960 1 14 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.930 -0.222 25761 6961 1 14 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.608 -2.283 25761 6962 1 14 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.571 -2.902 25761 6963 1 14 . 1 1 83 83 ALA H H 83 8.467 8.467 8.056 0.411 25761 6964 1 14 . 1 1 84 84 ALA N N 84 118.529 118.529 116.944 1.585 25761 6965 1 14 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.266 -0.024 25761 6966 1 14 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.357 -2.368 25761 6967 1 14 . 1 1 84 84 ALA CB C 84 15.181 15.181 17.565 -2.384 25761 6968 1 14 . 1 1 84 84 ALA H H 84 7.517 7.517 7.499 0.018 25761 6969 1 14 . 1 1 85 85 ARG N N 85 117.478 117.478 117.368 0.110 25761 6970 1 14 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.385 -0.398 25761 6971 1 14 . 1 1 85 85 ARG CA C 85 55.691 55.691 56.695 -1.004 25761 6972 1 14 . 1 1 85 85 ARG CB C 85 27.586 27.586 32.202 -4.615 25761 6973 1 14 . 1 1 85 85 ARG H H 85 7.278 7.278 7.890 -0.612 25761 6974 1 14 . 1 1 86 86 ILE N N 86 118.079 118.079 118.885 -0.806 25761 6975 1 14 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.206 -0.459 25761 6976 1 14 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.498 -0.967 25761 6977 1 14 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.560 -3.347 25761 6978 1 14 . 1 1 86 86 ILE H H 86 7.286 7.286 7.557 -0.271 25761 6979 1 14 . 1 1 87 87 ASP N N 87 117.833 117.833 122.291 -4.458 25761 6980 1 14 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.816 0.164 25761 6981 1 14 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.573 -5.931 25761 6982 1 14 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.456 -2.280 25761 6983 1 14 . 1 1 87 87 ASP H H 87 7.973 7.973 7.763 0.210 25761 6984 1 14 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.386 0.255 25761 6985 1 14 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.216 -3.667 25761 6986 1 14 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.283 -2.724 25761 6987 1 14 . 1 1 89 89 ASP N N 89 120.189 120.189 118.506 1.683 25761 6988 1 14 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.776 -0.090 25761 6989 1 14 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.971 -1.598 25761 6990 1 14 . 1 1 89 89 ASP H H 89 7.960 7.960 8.384 -0.424 25761 6991 1 14 . 1 1 90 90 ILE N N 90 120.372 120.372 121.370 -0.998 25761 6992 1 14 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.551 0.004 25761 6993 1 14 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.479 -0.457 25761 6994 1 14 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.835 -1.637 25761 6995 1 14 . 1 1 90 90 ILE H H 90 7.234 7.234 8.328 -1.094 25761 6996 1 14 . 1 1 91 91 TRP N N 91 122.596 122.596 126.768 -4.172 25761 6997 1 14 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.847 0.042 25761 6998 1 14 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.795 -4.128 25761 6999 1 14 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.283 -2.653 25761 7000 1 14 . 1 1 91 91 TRP H H 91 9.295 9.295 9.048 0.247 25761 7001 1 14 . 1 1 92 92 VAL N N 92 118.958 118.958 121.822 -2.864 25761 7002 1 14 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.370 0.778 25761 7003 1 14 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.500 -2.103 25761 7004 1 14 . 1 1 92 92 VAL CB C 92 31.825 31.825 34.526 -2.701 25761 7005 1 14 . 1 1 92 92 VAL H H 92 9.040 9.040 8.463 0.577 25761 7006 1 14 . 1 1 93 93 VAL N N 93 129.129 129.129 126.529 2.600 25761 7007 1 14 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.840 -0.071 25761 7008 1 14 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.534 -4.219 25761 7009 1 14 . 1 1 93 93 VAL CB C 93 32.548 32.548 35.623 -3.075 25761 7010 1 14 . 1 1 93 93 VAL H H 93 9.201 9.201 8.295 0.906 25761 7011 1 14 . 1 1 94 94 GLU N N 94 126.192 126.192 127.252 -1.060 25761 7012 1 14 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.852 0.560 25761 7013 1 14 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.758 -2.994 25761 7014 1 14 . 1 1 94 94 GLU CB C 94 29.584 29.584 32.210 -2.626 25761 7015 1 14 . 1 1 94 94 GLU H H 94 9.161 9.161 8.706 0.455 25761 7016 1 14 . 1 1 95 95 ILE N N 95 125.285 125.285 126.445 -1.160 25761 7017 1 14 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.692 0.079 25761 7018 1 14 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.949 -1.630 25761 7019 1 14 . 1 1 95 95 ILE CB C 95 38.475 38.475 37.536 0.939 25761 7020 1 14 . 1 1 95 95 ILE H H 95 9.347 9.347 8.462 0.885 25761 7021 1 14 . 1 1 96 96 GLU N N 96 128.539 128.539 128.142 0.397 25761 7022 1 14 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.799 0.356 25761 7023 1 14 . 1 1 96 96 GLU CA C 96 52.551 52.551 57.199 -4.648 25761 7024 1 14 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.039 -1.978 25761 7025 1 14 . 1 1 96 96 GLU H H 96 9.390 9.390 8.808 0.582 25761 7026 1 14 . 1 1 97 97 ASP N N 97 123.516 123.516 123.219 0.297 25761 7027 1 14 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.093 0.226 25761 7028 1 14 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.358 -1.589 25761 7029 1 14 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.487 1.350 25761 7030 1 14 . 1 1 97 97 ASP H H 97 8.582 8.582 8.725 -0.143 25761 7031 1 14 . 1 1 98 98 ARG N N 98 127.597 127.597 118.357 9.240 25761 7032 1 14 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.305 -0.234 25761 7033 1 14 . 1 1 98 98 ARG CA C 98 56.486 56.486 57.453 -0.967 25761 7034 1 14 . 1 1 98 98 ARG CB C 98 27.570 27.570 31.108 -3.538 25761 7035 1 14 . 1 1 98 98 ARG H H 98 8.914 8.914 8.676 0.238 25761 7036 1 14 . 1 1 99 99 ASP N N 99 115.196 115.196 119.404 -4.208 25761 7037 1 14 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.816 0.162 25761 7038 1 14 . 1 1 99 99 ASP CA C 99 51.008 51.008 52.901 -1.893 25761 7039 1 14 . 1 1 99 99 ASP CB C 99 39.782 39.782 41.533 -1.751 25761 7040 1 14 . 1 1 99 99 ASP H H 99 7.379 7.379 8.343 -0.964 25761 7041 1 14 . 1 1 100 100 GLY N N 100 106.976 106.976 108.704 -1.728 25761 7042 1 14 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.173 -1.540 25761 7043 1 14 . 1 1 100 100 GLY H H 100 7.481 7.481 8.165 -0.684 25761 7044 1 14 . 1 1 101 101 ARG N N 101 120.072 120.072 118.468 1.604 25761 7045 1 14 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.912 -0.470 25761 7046 1 14 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.591 -2.404 25761 7047 1 14 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.044 -3.184 25761 7048 1 14 . 1 1 101 101 ARG H H 101 8.798 8.798 7.938 0.860 25761 7049 1 14 . 1 1 102 102 HIS N N 102 112.990 112.990 114.511 -1.521 25761 7050 1 14 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.735 -0.382 25761 7051 1 14 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.694 -4.011 25761 7052 1 14 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.880 -1.356 25761 7053 1 14 . 1 1 102 102 HIS H H 102 5.928 5.928 7.860 -1.932 25761 7054 1 14 . 1 1 103 103 PHE N N 103 106.623 106.623 116.600 -9.977 25761 7055 1 14 . 1 1 103 103 PHE HA H 103 3.393 3.393 3.981 -0.588 25761 7056 1 14 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.511 -1.636 25761 7057 1 14 . 1 1 103 103 PHE CB C 103 33.351 33.351 37.119 -3.768 25761 7058 1 14 . 1 1 103 103 PHE H H 103 6.660 6.660 7.544 -0.884 25761 7059 1 14 . 1 1 104 104 LEU N N 104 123.743 123.743 118.901 4.842 25761 7060 1 14 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.308 -0.060 25761 7061 1 14 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.301 -2.451 25761 7062 1 14 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.997 -3.740 25761 7063 1 14 . 1 1 104 104 LEU H H 104 10.737 10.737 7.623 3.114 25761 7064 1 14 . 1 1 105 105 THR N N 105 113.822 113.822 115.396 -1.574 25761 7065 1 14 . 1 1 105 105 THR HA H 105 4.313 4.313 4.363 -0.050 25761 7066 1 14 . 1 1 105 105 THR CA C 105 59.658 59.658 63.192 -3.534 25761 7067 1 14 . 1 1 105 105 THR CB C 105 66.210 66.210 69.377 -3.167 25761 7068 1 14 . 1 1 105 105 THR H H 105 9.213 9.213 8.487 0.726 25761 7069 1 14 . 1 1 106 106 GLU N N 106 123.871 123.871 120.453 3.418 25761 7070 1 14 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.647 -0.034 25761 7071 1 14 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.464 -6.329 25761 7072 1 14 . 1 1 106 106 GLU H H 106 7.734 7.734 7.903 -0.169 25761 7073 1 14 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.567 -0.303 25761 7074 1 14 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.990 -1.526 25761 7075 1 14 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.529 -2.725 25761 7076 1 14 . 1 1 108 108 VAL N N 108 120.628 120.628 117.630 2.998 25761 7077 1 14 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.977 -3.169 25761 7078 1 14 . 1 1 108 108 VAL CB C 108 32.190 32.190 35.850 -3.660 25761 7079 1 14 . 1 1 108 108 VAL H H 108 8.137 8.137 8.349 -0.212 25761 7080 1 14 . 1 1 109 109 GLU N N 109 128.850 128.850 124.097 4.753 25761 7081 1 14 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.807 -0.368 25761 7082 1 14 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.072 -1.163 25761 7083 1 14 . 1 1 109 109 GLU CB C 109 28.447 28.447 33.914 -5.467 25761 7084 1 14 . 1 1 109 109 GLU H H 109 9.095 9.095 9.041 0.054 25761 7085 1 15 . 1 1 2 2 MET HA H 2 4.380 4.380 4.507 -0.127 25761 7086 1 15 . 1 1 2 2 MET CA C 2 52.819 52.819 55.592 -2.772 25761 7087 1 15 . 1 1 2 2 MET CB C 2 30.830 30.830 33.207 -2.377 25761 7088 1 15 . 1 1 3 3 LEU N N 3 123.960 123.960 126.964 -3.004 25761 7089 1 15 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.683 -0.393 25761 7090 1 15 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.601 -1.931 25761 7091 1 15 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.869 -1.941 25761 7092 1 15 . 1 1 3 3 LEU H H 3 8.399 8.399 8.326 0.073 25761 7093 1 15 . 1 1 4 4 LEU N N 4 123.372 123.372 125.360 -1.988 25761 7094 1 15 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.385 0.072 25761 7095 1 15 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.804 -3.157 25761 7096 1 15 . 1 1 4 4 LEU CB C 4 41.002 41.002 41.966 -0.964 25761 7097 1 15 . 1 1 4 4 LEU H H 4 8.134 8.134 8.369 -0.235 25761 7098 1 15 . 1 1 5 5 SER N N 5 117.439 117.439 111.630 5.809 25761 7099 1 15 . 1 1 5 5 SER HA H 5 4.628 4.628 4.285 0.343 25761 7100 1 15 . 1 1 5 5 SER CA C 5 56.192 56.192 57.287 -1.095 25761 7101 1 15 . 1 1 5 5 SER CB C 5 61.291 61.291 65.702 -4.411 25761 7102 1 15 . 1 1 5 5 SER H H 5 8.075 8.075 7.717 0.358 25761 7103 1 15 . 1 1 6 6 THR N N 6 121.297 121.297 119.874 1.423 25761 7104 1 15 . 1 1 6 6 THR HA H 6 3.713 3.713 3.458 0.255 25761 7105 1 15 . 1 1 6 6 THR CA C 6 64.981 64.981 66.839 -1.858 25761 7106 1 15 . 1 1 6 6 THR CB C 6 65.860 65.860 68.409 -2.549 25761 7107 1 15 . 1 1 6 6 THR H H 6 7.681 7.681 8.136 -0.455 25761 7108 1 15 . 1 1 7 7 ASP N N 7 119.550 119.550 120.735 -1.185 25761 7109 1 15 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.657 0.085 25761 7110 1 15 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.060 -2.063 25761 7111 1 15 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.220 -3.428 25761 7112 1 15 . 1 1 7 7 ASP H H 7 9.044 9.044 7.747 1.297 25761 7113 1 15 . 1 1 8 8 ILE N N 8 123.495 123.495 120.198 3.297 25761 7114 1 15 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.743 -0.022 25761 7115 1 15 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.176 -2.201 25761 7116 1 15 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.456 -1.329 25761 7117 1 15 . 1 1 8 8 ILE H H 8 7.749 7.749 6.943 0.806 25761 7118 1 15 . 1 1 9 9 TRP N N 9 124.446 124.446 120.182 4.264 25761 7119 1 15 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.384 -0.540 25761 7120 1 15 . 1 1 9 9 TRP CA C 9 60.136 60.136 59.921 0.215 25761 7121 1 15 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.247 -1.272 25761 7122 1 15 . 1 1 9 9 TRP H H 9 8.232 8.232 7.375 0.857 25761 7123 1 15 . 1 1 10 10 VAL N N 10 121.207 121.207 119.410 1.797 25761 7124 1 15 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.676 -0.511 25761 7125 1 15 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.430 -2.195 25761 7126 1 15 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.797 -1.781 25761 7127 1 15 . 1 1 10 10 VAL H H 10 9.240 9.240 8.299 0.941 25761 7128 1 15 . 1 1 11 11 ALA N N 11 120.679 120.679 122.719 -2.040 25761 7129 1 15 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.022 -0.173 25761 7130 1 15 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.401 -2.922 25761 7131 1 15 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.919 -2.774 25761 7132 1 15 . 1 1 11 11 ALA H H 11 7.718 7.718 7.872 -0.154 25761 7133 1 15 . 1 1 12 12 ALA N N 12 120.217 120.217 121.700 -1.483 25761 7134 1 15 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.065 -0.160 25761 7135 1 15 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.897 -2.901 25761 7136 1 15 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.352 -3.413 25761 7137 1 15 . 1 1 12 12 ALA H H 12 7.642 7.642 7.801 -0.159 25761 7138 1 15 . 1 1 13 13 LEU N N 13 122.821 122.821 121.019 1.802 25761 7139 1 15 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.058 -0.513 25761 7140 1 15 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.151 -2.610 25761 7141 1 15 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.996 -3.547 25761 7142 1 15 . 1 1 13 13 LEU H H 13 7.320 7.320 8.514 -1.194 25761 7143 1 15 . 1 1 14 14 ILE N N 14 117.258 117.258 118.623 -1.365 25761 7144 1 15 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.588 -0.536 25761 7145 1 15 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.298 -2.093 25761 7146 1 15 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.624 -1.847 25761 7147 1 15 . 1 1 14 14 ILE H H 14 8.105 8.105 7.813 0.292 25761 7148 1 15 . 1 1 15 15 ARG N N 15 117.921 117.921 119.555 -1.634 25761 7149 1 15 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.875 0.085 25761 7150 1 15 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.807 -3.739 25761 7151 1 15 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.710 -2.408 25761 7152 1 15 . 1 1 15 15 ARG H H 15 7.574 7.574 8.361 -0.787 25761 7153 1 15 . 1 1 16 16 ARG N N 16 118.635 118.635 119.084 -0.449 25761 7154 1 15 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.846 -0.145 25761 7155 1 15 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.252 -1.598 25761 7156 1 15 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.691 -1.560 25761 7157 1 15 . 1 1 16 16 ARG H H 16 7.832 7.832 8.484 -0.652 25761 7158 1 15 . 1 1 17 17 ALA N N 17 122.335 122.335 121.924 0.411 25761 7159 1 15 . 1 1 17 17 ALA HA H 17 3.052 3.052 3.598 -0.546 25761 7160 1 15 . 1 1 17 17 ALA CA C 17 62.360 62.360 55.083 7.277 25761 7161 1 15 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.209 -2.656 25761 7162 1 15 . 1 1 17 17 ALA H H 17 7.856 7.856 7.615 0.241 25761 7163 1 15 . 1 1 18 18 GLU N N 18 118.223 118.223 119.725 -1.502 25761 7164 1 15 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.160 -0.169 25761 7165 1 15 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.763 -2.274 25761 7166 1 15 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.537 -2.751 25761 7167 1 15 . 1 1 18 18 GLU H H 18 8.303 8.303 7.954 0.349 25761 7168 1 15 . 1 1 19 19 LEU N N 19 122.454 122.454 120.954 1.500 25761 7169 1 15 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.045 -0.041 25761 7170 1 15 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.278 -2.421 25761 7171 1 15 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.650 -2.535 25761 7172 1 15 . 1 1 19 19 LEU H H 19 8.402 8.402 8.400 0.002 25761 7173 1 15 . 1 1 20 20 GLY N N 20 105.446 105.446 104.235 1.211 25761 7174 1 15 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.902 -2.159 25761 7175 1 15 . 1 1 20 20 GLY H H 20 7.468 7.468 7.938 -0.470 25761 7176 1 15 . 1 1 21 21 GLY N N 21 107.714 107.714 108.319 -0.605 25761 7177 1 15 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.562 -1.935 25761 7178 1 15 . 1 1 21 21 GLY H H 21 7.754 7.754 7.548 0.206 25761 7179 1 15 . 1 1 22 22 ALA N N 22 123.725 123.725 123.027 0.698 25761 7180 1 15 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.339 0.325 25761 7181 1 15 . 1 1 22 22 ALA CA C 22 48.238 48.238 52.068 -3.830 25761 7182 1 15 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.457 -1.174 25761 7183 1 15 . 1 1 22 22 ALA H H 22 8.012 8.012 7.798 0.214 25761 7184 1 15 . 1 1 23 23 PHE N N 23 117.564 117.564 120.286 -2.722 25761 7185 1 15 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.681 0.158 25761 7186 1 15 . 1 1 23 23 PHE CA C 23 53.762 53.762 58.184 -4.423 25761 7187 1 15 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.563 -2.907 25761 7188 1 15 . 1 1 23 23 PHE H H 23 8.128 8.128 8.115 0.013 25761 7189 1 15 . 1 1 24 24 ALA N N 24 128.638 128.638 127.677 0.961 25761 7190 1 15 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.227 0.225 25761 7191 1 15 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.641 -4.130 25761 7192 1 15 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.129 -0.751 25761 7193 1 15 . 1 1 24 24 ALA H H 24 8.542 8.542 7.989 0.553 25761 7194 1 15 . 1 1 25 25 THR N N 25 115.207 115.207 115.335 -0.128 25761 7195 1 15 . 1 1 25 25 THR HA H 25 4.394 4.394 4.619 -0.225 25761 7196 1 15 . 1 1 25 25 THR CA C 25 57.830 57.830 60.743 -2.913 25761 7197 1 15 . 1 1 25 25 THR CB C 25 69.095 69.095 71.153 -2.058 25761 7198 1 15 . 1 1 25 25 THR H H 25 9.003 9.003 8.522 0.481 25761 7199 1 15 . 1 1 26 26 VAL N N 26 125.712 125.712 122.365 3.347 25761 7200 1 15 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.591 -0.409 25761 7201 1 15 . 1 1 26 26 VAL CA C 26 60.486 60.486 62.479 -1.993 25761 7202 1 15 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.805 -4.257 25761 7203 1 15 . 1 1 26 26 VAL H H 26 8.739 8.739 8.519 0.220 25761 7204 1 15 . 1 1 27 27 ALA N N 27 134.206 134.206 128.591 5.615 25761 7205 1 15 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.575 -0.330 25761 7206 1 15 . 1 1 27 27 ALA CA C 27 50.742 50.742 51.421 -0.679 25761 7207 1 15 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.314 -3.783 25761 7208 1 15 . 1 1 27 27 ALA H H 27 8.412 8.412 9.039 -0.627 25761 7209 1 15 . 1 1 28 28 ARG N N 28 117.751 117.751 118.262 -0.511 25761 7210 1 15 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.525 -0.317 25761 7211 1 15 . 1 1 28 28 ARG CA C 28 53.658 53.658 54.916 -1.258 25761 7212 1 15 . 1 1 28 28 ARG CB C 28 31.000 31.000 32.583 -1.583 25761 7213 1 15 . 1 1 28 28 ARG H H 28 8.090 8.090 7.754 0.336 25761 7214 1 15 . 1 1 29 29 LYS N N 29 128.417 128.417 121.621 6.796 25761 7215 1 15 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.332 -0.223 25761 7216 1 15 . 1 1 29 29 LYS CA C 29 52.792 52.792 55.673 -2.881 25761 7217 1 15 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.343 -3.054 25761 7218 1 15 . 1 1 29 29 LYS H H 29 8.536 8.536 8.421 0.115 25761 7219 1 15 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.947 -3.089 25761 7220 1 15 . 1 1 31 31 ASP N N 31 120.477 120.477 120.472 0.005 25761 7221 1 15 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.585 -0.081 25761 7222 1 15 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.926 -2.289 25761 7223 1 15 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.918 -1.568 25761 7224 1 15 . 1 1 31 31 ASP H H 31 8.445 8.445 7.988 0.457 25761 7225 1 15 . 1 1 32 32 ALA N N 32 133.865 133.865 129.994 3.871 25761 7226 1 15 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.253 0.116 25761 7227 1 15 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.339 -2.052 25761 7228 1 15 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.132 -2.077 25761 7229 1 15 . 1 1 32 32 ALA H H 32 9.236 9.236 9.020 0.216 25761 7230 1 15 . 1 1 33 33 ARG N N 33 113.991 113.991 116.647 -2.656 25761 7231 1 15 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.117 0.297 25761 7232 1 15 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.329 -2.544 25761 7233 1 15 . 1 1 33 33 ARG CB C 33 28.183 28.183 30.574 -2.391 25761 7234 1 15 . 1 1 33 33 ARG H H 33 7.913 7.913 8.641 -0.728 25761 7235 1 15 . 1 1 34 34 ALA N N 34 120.593 120.593 116.927 3.666 25761 7236 1 15 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.469 0.205 25761 7237 1 15 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.368 -2.832 25761 7238 1 15 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.206 -2.392 25761 7239 1 15 . 1 1 34 34 ALA H H 34 8.306 8.306 7.568 0.738 25761 7240 1 15 . 1 1 35 35 GLY N N 35 107.349 107.349 109.392 -2.043 25761 7241 1 15 . 1 1 35 35 GLY CA C 35 44.450 44.450 45.166 -0.716 25761 7242 1 15 . 1 1 35 35 GLY H H 35 7.715 7.715 8.055 -0.340 25761 7243 1 15 . 1 1 36 36 ALA N N 36 127.073 127.073 124.673 2.400 25761 7244 1 15 . 1 1 36 36 ALA HA H 36 4.358 4.358 5.090 -0.732 25761 7245 1 15 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.181 -2.040 25761 7246 1 15 . 1 1 36 36 ALA CB C 36 16.967 16.967 21.071 -4.104 25761 7247 1 15 . 1 1 36 36 ALA H H 36 8.935 8.935 8.031 0.904 25761 7248 1 15 . 1 1 37 37 VAL N N 37 116.903 116.903 116.827 0.076 25761 7249 1 15 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.948 -0.199 25761 7250 1 15 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.200 -1.618 25761 7251 1 15 . 1 1 37 37 VAL H H 37 7.830 7.830 8.751 -0.921 25761 7252 1 15 . 1 1 38 38 LEU N N 38 126.366 126.366 125.850 0.516 25761 7253 1 15 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.094 0.437 25761 7254 1 15 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.468 -2.593 25761 7255 1 15 . 1 1 38 38 LEU CB C 38 41.970 41.970 45.273 -3.304 25761 7256 1 15 . 1 1 38 38 LEU H H 38 8.926 8.926 9.028 -0.102 25761 7257 1 15 . 1 1 39 39 VAL N N 39 121.843 121.843 118.891 2.952 25761 7258 1 15 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.683 0.196 25761 7259 1 15 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.778 -2.435 25761 7260 1 15 . 1 1 39 39 VAL CB C 39 32.192 32.192 35.348 -3.156 25761 7261 1 15 . 1 1 39 39 VAL H H 39 8.819 8.819 8.611 0.208 25761 7262 1 15 . 1 1 40 40 LYS N N 40 129.592 129.592 126.924 2.668 25761 7263 1 15 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.476 0.803 25761 7264 1 15 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.917 -6.926 25761 7265 1 15 . 1 1 40 40 LYS CB C 40 31.682 31.682 36.193 -4.511 25761 7266 1 15 . 1 1 40 40 LYS H H 40 9.438 9.438 8.184 1.254 25761 7267 1 15 . 1 1 41 41 ALA N N 41 131.659 131.659 129.559 2.100 25761 7268 1 15 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.232 0.017 25761 7269 1 15 . 1 1 41 41 ALA CA C 41 51.816 51.816 49.912 1.904 25761 7270 1 15 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.825 -4.180 25761 7271 1 15 . 1 1 41 41 ALA H H 41 9.349 9.349 8.000 1.349 25761 7272 1 15 . 1 1 42 42 VAL N N 42 127.668 127.668 121.383 6.285 25761 7273 1 15 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.295 -0.026 25761 7274 1 15 . 1 1 42 42 VAL CA C 42 59.621 59.621 60.498 -0.877 25761 7275 1 15 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.399 -1.521 25761 7276 1 15 . 1 1 42 42 VAL H H 42 9.517 9.517 8.203 1.314 25761 7277 1 15 . 1 1 43 43 ASP N N 43 127.524 127.524 127.257 0.267 25761 7278 1 15 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.148 -0.262 25761 7279 1 15 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.649 -3.019 25761 7280 1 15 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.597 -3.070 25761 7281 1 15 . 1 1 43 43 ASP H H 43 8.821 8.821 8.431 0.390 25761 7282 1 15 . 1 1 44 44 ARG N N 44 123.676 123.676 125.611 -1.935 25761 7283 1 15 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.322 -0.227 25761 7284 1 15 . 1 1 44 44 ARG CA C 44 54.671 54.671 56.252 -1.581 25761 7285 1 15 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.127 -2.033 25761 7286 1 15 . 1 1 44 44 ARG H H 44 8.435 8.435 8.245 0.190 25761 7287 1 15 . 1 1 45 45 ARG N N 45 120.486 120.486 120.560 -0.074 25761 7288 1 15 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.202 -0.071 25761 7289 1 15 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.807 -2.200 25761 7290 1 15 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.668 -2.603 25761 7291 1 15 . 1 1 45 45 ARG H H 45 8.551 8.551 8.091 0.460 25761 7292 1 15 . 1 1 46 46 GLU N N 46 116.189 116.189 116.767 -0.578 25761 7293 1 15 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.256 -0.003 25761 7294 1 15 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.952 -3.514 25761 7295 1 15 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.337 -1.721 25761 7296 1 15 . 1 1 46 46 GLU H H 46 7.918 7.918 8.855 -0.937 25761 7297 1 15 . 1 1 47 47 GLY N N 47 108.218 108.218 109.997 -1.779 25761 7298 1 15 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.323 -1.353 25761 7299 1 15 . 1 1 47 47 GLY H H 47 8.159 8.159 7.898 0.261 25761 7300 1 15 . 1 1 48 48 THR N N 48 109.683 109.683 110.372 -0.689 25761 7301 1 15 . 1 1 48 48 THR HA H 48 4.639 4.639 4.685 -0.046 25761 7302 1 15 . 1 1 48 48 THR CA C 48 57.215 57.215 59.587 -2.372 25761 7303 1 15 . 1 1 48 48 THR CB C 48 69.275 69.275 71.484 -2.209 25761 7304 1 15 . 1 1 48 48 THR H H 48 7.485 7.485 7.768 -0.283 25761 7305 1 15 . 1 1 49 49 ALA N N 49 122.571 122.571 122.372 0.199 25761 7306 1 15 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.066 0.090 25761 7307 1 15 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.203 -3.192 25761 7308 1 15 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.227 -1.223 25761 7309 1 15 . 1 1 49 49 ALA H H 49 8.530 8.530 8.281 0.249 25761 7310 1 15 . 1 1 50 50 ARG N N 50 115.654 115.654 118.544 -2.890 25761 7311 1 15 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.777 -0.137 25761 7312 1 15 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.590 -2.084 25761 7313 1 15 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.030 -0.198 25761 7314 1 15 . 1 1 50 50 ARG H H 50 8.168 8.168 8.644 -0.476 25761 7315 1 15 . 1 1 51 51 LEU N N 51 122.400 122.400 121.247 1.153 25761 7316 1 15 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.444 0.830 25761 7317 1 15 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.448 -4.072 25761 7318 1 15 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.920 -0.761 25761 7319 1 15 . 1 1 51 51 LEU H H 51 8.213 8.213 8.312 -0.099 25761 7320 1 15 . 1 1 52 52 PHE N N 52 124.579 124.579 123.061 1.518 25761 7321 1 15 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.822 -0.272 25761 7322 1 15 . 1 1 52 52 PHE CA C 52 53.674 53.674 54.375 -0.701 25761 7323 1 15 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.008 -1.389 25761 7324 1 15 . 1 1 52 52 PHE H H 52 9.546 9.546 8.874 0.672 25761 7325 1 15 . 1 1 53 53 SER N N 53 115.953 115.953 115.128 0.825 25761 7326 1 15 . 1 1 53 53 SER HA H 53 5.267 5.267 5.184 0.083 25761 7327 1 15 . 1 1 53 53 SER CA C 53 53.513 53.513 55.989 -2.476 25761 7328 1 15 . 1 1 53 53 SER CB C 53 64.255 64.255 65.924 -1.669 25761 7329 1 15 . 1 1 53 53 SER H H 53 9.727 9.727 9.229 0.498 25761 7330 1 15 . 1 1 54 54 GLU N N 54 124.987 124.987 125.475 -0.488 25761 7331 1 15 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.433 -0.825 25761 7332 1 15 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.165 -1.848 25761 7333 1 15 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.232 2.445 25761 7334 1 15 . 1 1 54 54 GLU H H 54 8.431 8.431 8.301 0.130 25761 7335 1 15 . 1 1 55 55 ALA N N 55 127.789 127.789 125.763 2.026 25761 7336 1 15 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.453 -0.193 25761 7337 1 15 . 1 1 55 55 ALA CA C 55 48.005 48.005 50.766 -2.761 25761 7338 1 15 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.840 -2.158 25761 7339 1 15 . 1 1 55 55 ALA H H 55 8.430 8.430 8.088 0.342 25761 7340 1 15 . 1 1 56 56 THR N N 56 111.341 111.341 112.182 -0.841 25761 7341 1 15 . 1 1 56 56 THR HA H 56 5.038 5.038 5.401 -0.363 25761 7342 1 15 . 1 1 56 56 THR CA C 56 58.078 58.078 60.357 -2.279 25761 7343 1 15 . 1 1 56 56 THR CB C 56 68.505 68.505 71.699 -3.194 25761 7344 1 15 . 1 1 56 56 THR H H 56 7.923 7.923 8.023 -0.100 25761 7345 1 15 . 1 1 57 57 ARG N N 57 124.295 124.295 122.860 1.435 25761 7346 1 15 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.505 0.082 25761 7347 1 15 . 1 1 57 57 ARG CA C 57 52.325 52.325 56.582 -4.257 25761 7348 1 15 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.028 -0.361 25761 7349 1 15 . 1 1 57 57 ARG H H 57 9.054 9.054 8.535 0.519 25761 7350 1 15 . 1 1 58 58 GLY N N 58 109.220 109.220 105.530 3.690 25761 7351 1 15 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.081 -0.485 25761 7352 1 15 . 1 1 58 58 GLY H H 58 8.706 8.706 8.596 0.110 25761 7353 1 15 . 1 1 59 59 ASP N N 59 120.555 120.555 120.468 0.087 25761 7354 1 15 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.729 -0.143 25761 7355 1 15 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.467 -3.098 25761 7356 1 15 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.031 -3.634 25761 7357 1 15 . 1 1 59 59 ASP H H 59 8.194 8.194 7.915 0.279 25761 7358 1 15 . 1 1 60 60 GLY N N 60 107.833 107.833 108.638 -0.805 25761 7359 1 15 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.280 -2.367 25761 7360 1 15 . 1 1 60 60 GLY H H 60 7.999 7.999 7.927 0.072 25761 7361 1 15 . 1 1 61 61 GLU N N 61 121.205 121.205 119.695 1.510 25761 7362 1 15 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.455 -0.269 25761 7363 1 15 . 1 1 61 61 GLU CA C 61 53.994 53.994 54.313 -0.319 25761 7364 1 15 . 1 1 61 61 GLU CB C 61 27.931 27.931 31.837 -3.905 25761 7365 1 15 . 1 1 61 61 GLU H H 61 7.910 7.910 8.235 -0.325 25761 7366 1 15 . 1 1 62 62 ARG N N 62 125.261 125.261 127.203 -1.942 25761 7367 1 15 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.658 0.154 25761 7368 1 15 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.818 -3.931 25761 7369 1 15 . 1 1 62 62 ARG CB C 62 28.918 28.918 30.834 -1.916 25761 7370 1 15 . 1 1 62 62 ARG H H 62 8.219 8.219 8.643 -0.424 25761 7371 1 15 . 1 1 63 63 PHE N N 63 120.777 120.777 120.815 -0.038 25761 7372 1 15 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.748 0.131 25761 7373 1 15 . 1 1 63 63 PHE CA C 63 52.800 52.800 54.723 -1.923 25761 7374 1 15 . 1 1 63 63 PHE CB C 63 39.163 39.163 41.521 -2.358 25761 7375 1 15 . 1 1 63 63 PHE H H 63 8.431 8.431 8.523 -0.092 25761 7376 1 15 . 1 1 64 64 TRP N N 64 119.550 119.550 122.822 -3.272 25761 7377 1 15 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.082 -0.056 25761 7378 1 15 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.615 -2.426 25761 7379 1 15 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.564 0.319 25761 7380 1 15 . 1 1 64 64 TRP H H 64 8.914 8.914 8.635 0.279 25761 7381 1 15 . 1 1 65 65 MET N N 65 118.324 118.324 122.413 -4.089 25761 7382 1 15 . 1 1 65 65 MET HA H 65 5.156 5.156 4.966 0.190 25761 7383 1 15 . 1 1 65 65 MET CA C 65 50.438 50.438 54.521 -4.083 25761 7384 1 15 . 1 1 65 65 MET CB C 65 32.296 32.296 34.474 -2.178 25761 7385 1 15 . 1 1 65 65 MET H H 65 9.282 9.282 9.027 0.255 25761 7386 1 15 . 1 1 66 66 GLN N N 66 119.469 119.469 119.333 0.136 25761 7387 1 15 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.127 0.387 25761 7388 1 15 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.750 -2.785 25761 7389 1 15 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.652 -0.152 25761 7390 1 15 . 1 1 66 66 GLN H H 66 8.785 8.785 8.660 0.125 25761 7391 1 15 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.342 -0.221 25761 7392 1 15 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.784 -2.918 25761 7393 1 15 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.271 -2.234 25761 7394 1 15 . 1 1 68 68 VAL N N 68 119.433 119.433 121.412 -1.979 25761 7395 1 15 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.066 -0.107 25761 7396 1 15 . 1 1 68 68 VAL CA C 68 57.834 57.834 61.998 -4.164 25761 7397 1 15 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.434 -0.402 25761 7398 1 15 . 1 1 68 68 VAL H H 68 8.464 8.464 7.736 0.728 25761 7399 1 15 . 1 1 69 69 ARG N N 69 127.119 127.119 129.266 -2.147 25761 7400 1 15 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.374 -0.038 25761 7401 1 15 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.484 -3.672 25761 7402 1 15 . 1 1 69 69 ARG CB C 69 25.923 25.923 27.951 -2.028 25761 7403 1 15 . 1 1 69 69 ARG H H 69 8.519 8.519 8.536 -0.017 25761 7404 1 15 . 1 1 70 70 SER N N 70 115.574 115.574 115.777 -0.203 25761 7405 1 15 . 1 1 70 70 SER HA H 70 4.598 4.598 4.747 -0.149 25761 7406 1 15 . 1 1 70 70 SER CA C 70 54.127 54.127 56.972 -2.845 25761 7407 1 15 . 1 1 70 70 SER CB C 70 62.189 62.189 64.186 -1.997 25761 7408 1 15 . 1 1 70 70 SER H H 70 7.955 7.955 8.132 -0.177 25761 7409 1 15 . 1 1 71 71 THR N N 71 114.592 114.592 113.630 0.962 25761 7410 1 15 . 1 1 71 71 THR HA H 71 5.244 5.244 4.650 0.594 25761 7411 1 15 . 1 1 71 71 THR CA C 71 58.147 58.147 61.289 -3.142 25761 7412 1 15 . 1 1 71 71 THR CB C 71 66.895 66.895 69.652 -2.757 25761 7413 1 15 . 1 1 71 71 THR H H 71 8.285 8.285 8.244 0.041 25761 7414 1 15 . 1 1 72 72 PHE N N 72 125.101 125.101 123.670 1.431 25761 7415 1 15 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.462 0.479 25761 7416 1 15 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.648 -4.513 25761 7417 1 15 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.586 -2.655 25761 7418 1 15 . 1 1 72 72 PHE H H 72 8.649 8.649 7.650 0.999 25761 7419 1 15 . 1 1 73 73 GLU N N 73 129.014 129.014 124.971 4.043 25761 7420 1 15 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.045 -0.494 25761 7421 1 15 . 1 1 73 73 GLU CA C 73 59.415 59.415 60.653 -1.238 25761 7422 1 15 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.854 6.038 25761 7423 1 15 . 1 1 73 73 GLU H H 73 9.018 9.018 9.074 -0.056 25761 7424 1 15 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.259 -2.162 25761 7425 1 15 . 1 1 75 75 ASP N N 75 116.246 116.246 119.189 -2.943 25761 7426 1 15 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.622 -0.172 25761 7427 1 15 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.758 -2.208 25761 7428 1 15 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.627 -2.886 25761 7429 1 15 . 1 1 75 75 ASP H H 75 7.493 7.493 8.061 -0.568 25761 7430 1 15 . 1 1 76 76 LEU N N 76 121.503 121.503 117.566 3.937 25761 7431 1 15 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.379 -0.393 25761 7432 1 15 . 1 1 76 76 LEU CA C 76 54.244 54.244 55.765 -1.521 25761 7433 1 15 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.010 -4.771 25761 7434 1 15 . 1 1 76 76 LEU H H 76 7.651 7.651 7.409 0.242 25761 7435 1 15 . 1 1 77 77 ASP N N 77 120.554 120.554 121.279 -0.725 25761 7436 1 15 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.689 -0.398 25761 7437 1 15 . 1 1 77 77 ASP CA C 77 54.695 54.695 56.495 -1.800 25761 7438 1 15 . 1 1 77 77 ASP CB C 77 37.194 37.194 41.544 -4.350 25761 7439 1 15 . 1 1 77 77 ASP H H 77 8.117 8.117 7.651 0.466 25761 7440 1 15 . 1 1 78 78 ALA N N 78 121.953 121.953 122.830 -0.877 25761 7441 1 15 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.069 0.074 25761 7442 1 15 . 1 1 78 78 ALA CA C 78 52.370 52.370 55.014 -2.644 25761 7443 1 15 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.311 -2.912 25761 7444 1 15 . 1 1 78 78 ALA H H 78 7.904 7.904 8.523 -0.619 25761 7445 1 15 . 1 1 79 79 TYR N N 79 119.746 119.746 120.101 -0.355 25761 7446 1 15 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.073 -0.184 25761 7447 1 15 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.917 -2.532 25761 7448 1 15 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.335 -2.524 25761 7449 1 15 . 1 1 79 79 TYR H H 79 7.422 7.422 7.809 -0.387 25761 7450 1 15 . 1 1 80 80 ALA N N 80 122.107 122.107 120.166 1.941 25761 7451 1 15 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.095 -0.325 25761 7452 1 15 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.959 -2.429 25761 7453 1 15 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.258 -2.880 25761 7454 1 15 . 1 1 80 80 ALA H H 80 8.376 8.376 8.047 0.329 25761 7455 1 15 . 1 1 81 81 GLU N N 81 118.620 118.620 118.190 0.430 25761 7456 1 15 . 1 1 81 81 GLU HA H 81 3.844 3.844 3.961 -0.117 25761 7457 1 15 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.951 -2.238 25761 7458 1 15 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.656 -2.777 25761 7459 1 15 . 1 1 81 81 GLU H H 81 8.149 8.149 7.626 0.523 25761 7460 1 15 . 1 1 82 82 ARG N N 82 120.032 120.032 119.072 0.960 25761 7461 1 15 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.026 -0.278 25761 7462 1 15 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.851 -2.064 25761 7463 1 15 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.330 -5.177 25761 7464 1 15 . 1 1 82 82 ARG H H 82 7.535 7.535 7.902 -0.367 25761 7465 1 15 . 1 1 83 83 ALA N N 83 122.089 122.089 120.840 1.249 25761 7466 1 15 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.904 -0.196 25761 7467 1 15 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.975 -2.650 25761 7468 1 15 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.312 -2.643 25761 7469 1 15 . 1 1 83 83 ALA H H 83 8.467 8.467 8.353 0.114 25761 7470 1 15 . 1 1 84 84 ALA N N 84 118.529 118.529 118.252 0.277 25761 7471 1 15 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.091 0.151 25761 7472 1 15 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.674 -3.685 25761 7473 1 15 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.457 -3.276 25761 7474 1 15 . 1 1 84 84 ALA H H 84 7.517 7.517 7.703 -0.186 25761 7475 1 15 . 1 1 85 85 ARG N N 85 117.478 117.478 116.186 1.292 25761 7476 1 15 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.332 -0.345 25761 7477 1 15 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.639 -1.948 25761 7478 1 15 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.960 -3.374 25761 7479 1 15 . 1 1 85 85 ARG H H 85 7.278 7.278 7.864 -0.586 25761 7480 1 15 . 1 1 86 86 ILE N N 86 118.079 118.079 118.246 -0.167 25761 7481 1 15 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.173 -0.426 25761 7482 1 15 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.640 -1.109 25761 7483 1 15 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.962 -3.749 25761 7484 1 15 . 1 1 86 86 ILE H H 86 7.286 7.286 7.743 -0.457 25761 7485 1 15 . 1 1 87 87 ASP N N 87 117.833 117.833 122.078 -4.245 25761 7486 1 15 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.774 0.206 25761 7487 1 15 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.841 -6.199 25761 7488 1 15 . 1 1 87 87 ASP CB C 87 39.176 39.176 42.091 -2.915 25761 7489 1 15 . 1 1 87 87 ASP H H 87 7.973 7.973 7.931 0.042 25761 7490 1 15 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.444 0.197 25761 7491 1 15 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.137 -3.588 25761 7492 1 15 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.123 -2.564 25761 7493 1 15 . 1 1 89 89 ASP N N 89 120.189 120.189 117.497 2.692 25761 7494 1 15 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.783 -0.097 25761 7495 1 15 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.919 -2.546 25761 7496 1 15 . 1 1 89 89 ASP H H 89 7.960 7.960 8.287 -0.327 25761 7497 1 15 . 1 1 90 90 ILE N N 90 120.372 120.372 122.716 -2.344 25761 7498 1 15 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.594 -0.039 25761 7499 1 15 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.748 0.274 25761 7500 1 15 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.189 -1.991 25761 7501 1 15 . 1 1 90 90 ILE H H 90 7.234 7.234 8.291 -1.057 25761 7502 1 15 . 1 1 91 91 TRP N N 91 122.596 122.596 127.336 -4.740 25761 7503 1 15 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.717 0.172 25761 7504 1 15 . 1 1 91 91 TRP CA C 91 52.667 52.667 57.169 -4.502 25761 7505 1 15 . 1 1 91 91 TRP CB C 91 28.630 28.630 30.606 -1.976 25761 7506 1 15 . 1 1 91 91 TRP H H 91 9.295 9.295 9.128 0.167 25761 7507 1 15 . 1 1 92 92 VAL N N 92 118.958 118.958 121.781 -2.823 25761 7508 1 15 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.727 0.421 25761 7509 1 15 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.376 -1.979 25761 7510 1 15 . 1 1 92 92 VAL CB C 92 31.825 31.825 35.019 -3.193 25761 7511 1 15 . 1 1 92 92 VAL H H 92 9.040 9.040 8.624 0.416 25761 7512 1 15 . 1 1 93 93 VAL N N 93 129.129 129.129 126.411 2.718 25761 7513 1 15 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.871 -0.102 25761 7514 1 15 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.651 -3.337 25761 7515 1 15 . 1 1 93 93 VAL CB C 93 32.548 32.548 34.384 -1.836 25761 7516 1 15 . 1 1 93 93 VAL H H 93 9.201 9.201 8.524 0.677 25761 7517 1 15 . 1 1 94 94 GLU N N 94 126.192 126.192 126.677 -0.485 25761 7518 1 15 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.180 0.232 25761 7519 1 15 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.665 -2.901 25761 7520 1 15 . 1 1 94 94 GLU CB C 94 29.584 29.584 32.385 -2.800 25761 7521 1 15 . 1 1 94 94 GLU H H 94 9.161 9.161 9.078 0.083 25761 7522 1 15 . 1 1 95 95 ILE N N 95 125.285 125.285 124.887 0.398 25761 7523 1 15 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.845 -0.074 25761 7524 1 15 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.849 -1.530 25761 7525 1 15 . 1 1 95 95 ILE CB C 95 38.475 38.475 39.927 -1.452 25761 7526 1 15 . 1 1 95 95 ILE H H 95 9.347 9.347 8.245 1.102 25761 7527 1 15 . 1 1 96 96 GLU N N 96 128.539 128.539 126.452 2.087 25761 7528 1 15 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.744 0.411 25761 7529 1 15 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.157 -2.606 25761 7530 1 15 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.501 -2.440 25761 7531 1 15 . 1 1 96 96 GLU H H 96 9.390 9.390 9.000 0.390 25761 7532 1 15 . 1 1 97 97 ASP N N 97 123.516 123.516 124.379 -0.863 25761 7533 1 15 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.002 0.317 25761 7534 1 15 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.064 -1.295 25761 7535 1 15 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.165 2.672 25761 7536 1 15 . 1 1 97 97 ASP H H 97 8.582 8.582 7.897 0.685 25761 7537 1 15 . 1 1 98 98 ARG N N 98 127.597 127.597 119.017 8.580 25761 7538 1 15 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.125 -0.054 25761 7539 1 15 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.007 -2.521 25761 7540 1 15 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.735 -3.165 25761 7541 1 15 . 1 1 98 98 ARG H H 98 8.914 8.914 8.439 0.475 25761 7542 1 15 . 1 1 99 99 ASP N N 99 115.196 115.196 116.901 -1.705 25761 7543 1 15 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.826 0.152 25761 7544 1 15 . 1 1 99 99 ASP CA C 99 51.008 51.008 52.999 -1.991 25761 7545 1 15 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.280 -0.498 25761 7546 1 15 . 1 1 99 99 ASP H H 99 7.379 7.379 8.397 -1.018 25761 7547 1 15 . 1 1 100 100 GLY N N 100 106.976 106.976 107.792 -0.816 25761 7548 1 15 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.976 -1.343 25761 7549 1 15 . 1 1 100 100 GLY H H 100 7.481 7.481 7.815 -0.334 25761 7550 1 15 . 1 1 101 101 ARG N N 101 120.072 120.072 117.169 2.903 25761 7551 1 15 . 1 1 101 101 ARG HA H 101 3.442 3.442 4.422 -0.980 25761 7552 1 15 . 1 1 101 101 ARG CA C 101 54.187 54.187 54.724 -0.537 25761 7553 1 15 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.986 -4.127 25761 7554 1 15 . 1 1 101 101 ARG H H 101 8.798 8.798 7.461 1.337 25761 7555 1 15 . 1 1 102 102 HIS N N 102 112.990 112.990 118.003 -5.013 25761 7556 1 15 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.546 -0.193 25761 7557 1 15 . 1 1 102 102 HIS CA C 102 51.683 51.683 56.014 -4.330 25761 7558 1 15 . 1 1 102 102 HIS CB C 102 29.524 29.524 31.343 -1.819 25761 7559 1 15 . 1 1 102 102 HIS H H 102 5.928 5.928 8.478 -2.550 25761 7560 1 15 . 1 1 103 103 PHE N N 103 106.623 106.623 116.404 -9.781 25761 7561 1 15 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.145 -0.752 25761 7562 1 15 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.370 -0.495 25761 7563 1 15 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.441 -3.090 25761 7564 1 15 . 1 1 103 103 PHE H H 103 6.660 6.660 7.780 -1.120 25761 7565 1 15 . 1 1 104 104 LEU N N 104 123.743 123.743 118.599 5.144 25761 7566 1 15 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.265 -0.017 25761 7567 1 15 . 1 1 104 104 LEU CA C 104 52.850 52.850 56.343 -3.493 25761 7568 1 15 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.321 -4.064 25761 7569 1 15 . 1 1 104 104 LEU H H 104 10.737 10.737 7.874 2.863 25761 7570 1 15 . 1 1 105 105 THR N N 105 113.822 113.822 112.388 1.434 25761 7571 1 15 . 1 1 105 105 THR HA H 105 4.313 4.313 4.530 -0.217 25761 7572 1 15 . 1 1 105 105 THR CA C 105 59.658 59.658 62.182 -2.524 25761 7573 1 15 . 1 1 105 105 THR CB C 105 66.210 66.210 69.204 -2.994 25761 7574 1 15 . 1 1 105 105 THR H H 105 9.213 9.213 8.407 0.806 25761 7575 1 15 . 1 1 106 106 GLU N N 106 123.871 123.871 121.533 2.338 25761 7576 1 15 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.723 -0.110 25761 7577 1 15 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.680 -7.545 25761 7578 1 15 . 1 1 106 106 GLU H H 106 7.734 7.734 8.412 -0.678 25761 7579 1 15 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.616 -0.352 25761 7580 1 15 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.688 -1.224 25761 7581 1 15 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.448 -2.645 25761 7582 1 15 . 1 1 108 108 VAL N N 108 120.628 120.628 121.518 -0.890 25761 7583 1 15 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.005 -3.197 25761 7584 1 15 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.981 -1.791 25761 7585 1 15 . 1 1 108 108 VAL H H 108 8.137 8.137 8.273 -0.136 25761 7586 1 15 . 1 1 109 109 GLU N N 109 128.850 128.850 127.107 1.743 25761 7587 1 15 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.363 0.076 25761 7588 1 15 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.715 -2.808 25761 7589 1 15 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.124 -2.677 25761 7590 1 15 . 1 1 109 109 GLU H H 109 9.095 9.095 8.606 0.489 25761 7591 1 16 . 1 1 2 2 MET HA H 2 4.380 4.380 4.622 -0.242 25761 7592 1 16 . 1 1 2 2 MET CA C 2 52.819 52.819 55.149 -2.330 25761 7593 1 16 . 1 1 2 2 MET CB C 2 30.830 30.830 33.566 -2.736 25761 7594 1 16 . 1 1 3 3 LEU N N 3 123.960 123.960 124.451 -0.491 25761 7595 1 16 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.591 -0.301 25761 7596 1 16 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.742 -2.072 25761 7597 1 16 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.356 -2.428 25761 7598 1 16 . 1 1 3 3 LEU H H 3 8.399 8.399 8.536 -0.137 25761 7599 1 16 . 1 1 4 4 LEU N N 4 123.372 123.372 121.841 1.531 25761 7600 1 16 . 1 1 4 4 LEU HA H 4 4.457 4.457 3.980 0.477 25761 7601 1 16 . 1 1 4 4 LEU CA C 4 51.647 51.647 55.118 -3.471 25761 7602 1 16 . 1 1 4 4 LEU CB C 4 41.002 41.002 41.883 -0.881 25761 7603 1 16 . 1 1 4 4 LEU H H 4 8.134 8.134 8.136 -0.002 25761 7604 1 16 . 1 1 5 5 SER N N 5 117.439 117.439 117.685 -0.246 25761 7605 1 16 . 1 1 5 5 SER HA H 5 4.628 4.628 4.265 0.363 25761 7606 1 16 . 1 1 5 5 SER CA C 5 56.192 56.192 57.406 -1.214 25761 7607 1 16 . 1 1 5 5 SER CB C 5 61.291 61.291 64.643 -3.352 25761 7608 1 16 . 1 1 5 5 SER H H 5 8.075 8.075 7.844 0.231 25761 7609 1 16 . 1 1 6 6 THR N N 6 121.297 121.297 117.491 3.806 25761 7610 1 16 . 1 1 6 6 THR HA H 6 3.713 3.713 3.764 -0.051 25761 7611 1 16 . 1 1 6 6 THR CA C 6 64.981 64.981 66.885 -1.905 25761 7612 1 16 . 1 1 6 6 THR CB C 6 65.860 65.860 68.279 -2.419 25761 7613 1 16 . 1 1 6 6 THR H H 6 7.681 7.681 8.242 -0.561 25761 7614 1 16 . 1 1 7 7 ASP N N 7 119.550 119.550 120.594 -1.044 25761 7615 1 16 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.664 0.078 25761 7616 1 16 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.621 -1.624 25761 7617 1 16 . 1 1 7 7 ASP CB C 7 36.792 36.792 39.423 -2.631 25761 7618 1 16 . 1 1 7 7 ASP H H 7 9.044 9.044 7.607 1.437 25761 7619 1 16 . 1 1 8 8 ILE N N 8 123.495 123.495 120.745 2.750 25761 7620 1 16 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.668 0.053 25761 7621 1 16 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.566 -2.591 25761 7622 1 16 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.315 -1.188 25761 7623 1 16 . 1 1 8 8 ILE H H 8 7.749 7.749 7.566 0.183 25761 7624 1 16 . 1 1 9 9 TRP N N 9 124.446 124.446 119.746 4.700 25761 7625 1 16 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.327 -0.483 25761 7626 1 16 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.577 -0.441 25761 7627 1 16 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.245 -1.270 25761 7628 1 16 . 1 1 9 9 TRP H H 9 8.232 8.232 7.199 1.033 25761 7629 1 16 . 1 1 10 10 VAL N N 10 121.207 121.207 119.891 1.316 25761 7630 1 16 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.644 -0.479 25761 7631 1 16 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.652 -2.417 25761 7632 1 16 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.890 -1.874 25761 7633 1 16 . 1 1 10 10 VAL H H 10 9.240 9.240 7.637 1.603 25761 7634 1 16 . 1 1 11 11 ALA N N 11 120.679 120.679 122.181 -1.502 25761 7635 1 16 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.021 -0.172 25761 7636 1 16 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.324 -2.845 25761 7637 1 16 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.987 -2.842 25761 7638 1 16 . 1 1 11 11 ALA H H 11 7.718 7.718 8.209 -0.491 25761 7639 1 16 . 1 1 12 12 ALA N N 12 120.217 120.217 121.512 -1.295 25761 7640 1 16 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.114 -0.209 25761 7641 1 16 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.790 -2.794 25761 7642 1 16 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.490 -3.551 25761 7643 1 16 . 1 1 12 12 ALA H H 12 7.642 7.642 8.133 -0.491 25761 7644 1 16 . 1 1 13 13 LEU N N 13 122.821 122.821 121.484 1.337 25761 7645 1 16 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.076 -0.531 25761 7646 1 16 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.538 -1.997 25761 7647 1 16 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.401 -2.952 25761 7648 1 16 . 1 1 13 13 LEU H H 13 7.320 7.320 8.469 -1.149 25761 7649 1 16 . 1 1 14 14 ILE N N 14 117.258 117.258 117.791 -0.533 25761 7650 1 16 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.583 -0.531 25761 7651 1 16 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.490 -2.285 25761 7652 1 16 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.413 -1.636 25761 7653 1 16 . 1 1 14 14 ILE H H 14 8.105 8.105 8.560 -0.455 25761 7654 1 16 . 1 1 15 15 ARG N N 15 117.921 117.921 119.767 -1.846 25761 7655 1 16 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.983 -0.023 25761 7656 1 16 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.487 -3.419 25761 7657 1 16 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.812 -2.510 25761 7658 1 16 . 1 1 15 15 ARG H H 15 7.574 7.574 7.464 0.110 25761 7659 1 16 . 1 1 16 16 ARG N N 16 118.635 118.635 119.538 -0.903 25761 7660 1 16 . 1 1 16 16 ARG HA H 16 3.701 3.701 3.800 -0.099 25761 7661 1 16 . 1 1 16 16 ARG CA C 16 57.654 57.654 59.009 -1.355 25761 7662 1 16 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.739 -1.608 25761 7663 1 16 . 1 1 16 16 ARG H H 16 7.832 7.832 8.154 -0.322 25761 7664 1 16 . 1 1 17 17 ALA N N 17 122.335 122.335 121.089 1.246 25761 7665 1 16 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.725 0.327 25761 7666 1 16 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.547 7.813 25761 7667 1 16 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.077 -2.524 25761 7668 1 16 . 1 1 17 17 ALA H H 17 7.856 7.856 7.994 -0.138 25761 7669 1 16 . 1 1 18 18 GLU N N 18 118.223 118.223 118.609 -0.386 25761 7670 1 16 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.144 -0.153 25761 7671 1 16 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.445 -1.956 25761 7672 1 16 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.454 -2.668 25761 7673 1 16 . 1 1 18 18 GLU H H 18 8.303 8.303 7.721 0.582 25761 7674 1 16 . 1 1 19 19 LEU N N 19 122.454 122.454 120.231 2.223 25761 7675 1 16 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.051 -0.046 25761 7676 1 16 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.540 -1.683 25761 7677 1 16 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.880 -2.765 25761 7678 1 16 . 1 1 19 19 LEU H H 19 8.402 8.402 8.074 0.328 25761 7679 1 16 . 1 1 20 20 GLY N N 20 105.446 105.446 105.647 -0.201 25761 7680 1 16 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.733 -2.990 25761 7681 1 16 . 1 1 20 20 GLY H H 20 7.468 7.468 7.551 -0.083 25761 7682 1 16 . 1 1 21 21 GLY N N 21 107.714 107.714 107.805 -0.091 25761 7683 1 16 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.402 -1.775 25761 7684 1 16 . 1 1 21 21 GLY H H 21 7.754 7.754 7.505 0.249 25761 7685 1 16 . 1 1 22 22 ALA N N 22 123.725 123.725 123.432 0.293 25761 7686 1 16 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.299 0.365 25761 7687 1 16 . 1 1 22 22 ALA CA C 22 48.238 48.238 52.028 -3.790 25761 7688 1 16 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.194 -0.910 25761 7689 1 16 . 1 1 22 22 ALA H H 22 8.012 8.012 7.415 0.597 25761 7690 1 16 . 1 1 23 23 PHE N N 23 117.564 117.564 121.025 -3.461 25761 7691 1 16 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.609 0.230 25761 7692 1 16 . 1 1 23 23 PHE CA C 23 53.762 53.762 58.181 -4.419 25761 7693 1 16 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.329 -2.673 25761 7694 1 16 . 1 1 23 23 PHE H H 23 8.128 8.128 8.111 0.017 25761 7695 1 16 . 1 1 24 24 ALA N N 24 128.638 128.638 127.851 0.787 25761 7696 1 16 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.235 0.217 25761 7697 1 16 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.097 -3.586 25761 7698 1 16 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.509 -1.131 25761 7699 1 16 . 1 1 24 24 ALA H H 24 8.542 8.542 7.973 0.569 25761 7700 1 16 . 1 1 25 25 THR N N 25 115.207 115.207 113.294 1.913 25761 7701 1 16 . 1 1 25 25 THR HA H 25 4.394 4.394 4.363 0.031 25761 7702 1 16 . 1 1 25 25 THR CA C 25 57.830 57.830 62.000 -4.170 25761 7703 1 16 . 1 1 25 25 THR CB C 25 69.095 69.095 70.802 -1.707 25761 7704 1 16 . 1 1 25 25 THR H H 25 9.003 9.003 8.650 0.353 25761 7705 1 16 . 1 1 26 26 VAL N N 26 125.712 125.712 124.069 1.643 25761 7706 1 16 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.867 -0.685 25761 7707 1 16 . 1 1 26 26 VAL CA C 26 60.486 60.486 60.529 -0.043 25761 7708 1 16 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.309 -3.761 25761 7709 1 16 . 1 1 26 26 VAL H H 26 8.739 8.739 8.526 0.213 25761 7710 1 16 . 1 1 27 27 ALA N N 27 134.206 134.206 131.098 3.108 25761 7711 1 16 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.295 -0.050 25761 7712 1 16 . 1 1 27 27 ALA CA C 27 50.742 50.742 53.277 -2.535 25761 7713 1 16 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.567 -3.036 25761 7714 1 16 . 1 1 27 27 ALA H H 27 8.412 8.412 8.584 -0.172 25761 7715 1 16 . 1 1 28 28 ARG N N 28 117.751 117.751 117.941 -0.190 25761 7716 1 16 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.419 -0.211 25761 7717 1 16 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.591 -1.933 25761 7718 1 16 . 1 1 28 28 ARG CB C 28 31.000 31.000 34.017 -3.017 25761 7719 1 16 . 1 1 28 28 ARG H H 28 8.090 8.090 7.363 0.727 25761 7720 1 16 . 1 1 29 29 LYS N N 29 128.417 128.417 124.589 3.828 25761 7721 1 16 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.507 -0.398 25761 7722 1 16 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.206 -1.414 25761 7723 1 16 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.248 -2.959 25761 7724 1 16 . 1 1 29 29 LYS H H 29 8.536 8.536 8.449 0.087 25761 7725 1 16 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.862 -3.004 25761 7726 1 16 . 1 1 31 31 ASP N N 31 120.477 120.477 121.262 -0.785 25761 7727 1 16 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.593 -0.089 25761 7728 1 16 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.402 -1.765 25761 7729 1 16 . 1 1 31 31 ASP CB C 31 40.350 40.350 39.834 0.516 25761 7730 1 16 . 1 1 31 31 ASP H H 31 8.445 8.445 8.798 -0.353 25761 7731 1 16 . 1 1 32 32 ALA N N 32 133.865 133.865 122.134 11.731 25761 7732 1 16 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.169 0.200 25761 7733 1 16 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.652 -1.365 25761 7734 1 16 . 1 1 32 32 ALA CB C 32 17.055 17.055 18.249 -1.194 25761 7735 1 16 . 1 1 32 32 ALA H H 32 9.236 9.236 8.808 0.428 25761 7736 1 16 . 1 1 33 33 ARG N N 33 113.991 113.991 115.067 -1.076 25761 7737 1 16 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.373 0.041 25761 7738 1 16 . 1 1 33 33 ARG CA C 33 55.785 55.785 56.766 -0.981 25761 7739 1 16 . 1 1 33 33 ARG CB C 33 28.183 28.183 33.069 -4.886 25761 7740 1 16 . 1 1 33 33 ARG H H 33 7.913 7.913 8.235 -0.322 25761 7741 1 16 . 1 1 34 34 ALA N N 34 120.593 120.593 122.512 -1.919 25761 7742 1 16 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.632 0.042 25761 7743 1 16 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.281 -2.745 25761 7744 1 16 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.812 -1.998 25761 7745 1 16 . 1 1 34 34 ALA H H 34 8.306 8.306 7.503 0.803 25761 7746 1 16 . 1 1 35 35 GLY N N 35 107.349 107.349 108.270 -0.921 25761 7747 1 16 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.291 0.159 25761 7748 1 16 . 1 1 35 35 GLY H H 35 7.715 7.715 7.642 0.073 25761 7749 1 16 . 1 1 36 36 ALA N N 36 127.073 127.073 127.112 -0.039 25761 7750 1 16 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.745 -0.387 25761 7751 1 16 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.740 -2.599 25761 7752 1 16 . 1 1 36 36 ALA CB C 36 16.967 16.967 21.033 -4.066 25761 7753 1 16 . 1 1 36 36 ALA H H 36 8.935 8.935 8.217 0.718 25761 7754 1 16 . 1 1 37 37 VAL N N 37 116.903 116.903 117.646 -0.743 25761 7755 1 16 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.990 -0.241 25761 7756 1 16 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.345 -1.763 25761 7757 1 16 . 1 1 37 37 VAL H H 37 7.830 7.830 8.327 -0.497 25761 7758 1 16 . 1 1 38 38 LEU N N 38 126.366 126.366 124.981 1.385 25761 7759 1 16 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.216 0.315 25761 7760 1 16 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.467 -2.592 25761 7761 1 16 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.423 -2.453 25761 7762 1 16 . 1 1 38 38 LEU H H 38 8.926 8.926 9.231 -0.305 25761 7763 1 16 . 1 1 39 39 VAL N N 39 121.843 121.843 120.741 1.102 25761 7764 1 16 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.727 0.152 25761 7765 1 16 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.415 -2.072 25761 7766 1 16 . 1 1 39 39 VAL CB C 39 32.192 32.192 34.344 -2.152 25761 7767 1 16 . 1 1 39 39 VAL H H 39 8.819 8.819 8.391 0.428 25761 7768 1 16 . 1 1 40 40 LYS N N 40 129.592 129.592 126.817 2.775 25761 7769 1 16 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.690 0.589 25761 7770 1 16 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.808 -6.817 25761 7771 1 16 . 1 1 40 40 LYS CB C 40 31.682 31.682 35.601 -3.919 25761 7772 1 16 . 1 1 40 40 LYS H H 40 9.438 9.438 8.896 0.542 25761 7773 1 16 . 1 1 41 41 ALA N N 41 131.659 131.659 131.167 0.492 25761 7774 1 16 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.044 0.205 25761 7775 1 16 . 1 1 41 41 ALA CA C 41 51.816 51.816 51.013 0.803 25761 7776 1 16 . 1 1 41 41 ALA CB C 41 17.645 17.645 20.803 -3.158 25761 7777 1 16 . 1 1 41 41 ALA H H 41 9.349 9.349 8.962 0.387 25761 7778 1 16 . 1 1 42 42 VAL N N 42 127.668 127.668 123.134 4.534 25761 7779 1 16 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.003 0.266 25761 7780 1 16 . 1 1 42 42 VAL CA C 42 59.621 59.621 62.306 -2.685 25761 7781 1 16 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.684 -1.806 25761 7782 1 16 . 1 1 42 42 VAL H H 42 9.517 9.517 8.327 1.190 25761 7783 1 16 . 1 1 43 43 ASP N N 43 127.524 127.524 124.707 2.817 25761 7784 1 16 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.189 -0.303 25761 7785 1 16 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.463 -2.833 25761 7786 1 16 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.038 -2.511 25761 7787 1 16 . 1 1 43 43 ASP H H 43 8.821 8.821 8.452 0.369 25761 7788 1 16 . 1 1 44 44 ARG N N 44 123.676 123.676 124.437 -0.761 25761 7789 1 16 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.088 0.007 25761 7790 1 16 . 1 1 44 44 ARG CA C 44 54.671 54.671 58.174 -3.503 25761 7791 1 16 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.252 -2.158 25761 7792 1 16 . 1 1 44 44 ARG H H 44 8.435 8.435 8.261 0.174 25761 7793 1 16 . 1 1 45 45 ARG N N 45 120.486 120.486 119.493 0.993 25761 7794 1 16 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.148 -0.017 25761 7795 1 16 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.516 -1.909 25761 7796 1 16 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.447 -2.383 25761 7797 1 16 . 1 1 45 45 ARG H H 45 8.551 8.551 8.024 0.527 25761 7798 1 16 . 1 1 46 46 GLU N N 46 116.189 116.189 116.223 -0.034 25761 7799 1 16 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.232 0.021 25761 7800 1 16 . 1 1 46 46 GLU CA C 46 53.438 53.438 57.335 -3.897 25761 7801 1 16 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.589 -1.973 25761 7802 1 16 . 1 1 46 46 GLU H H 46 7.918 7.918 8.649 -0.731 25761 7803 1 16 . 1 1 47 47 GLY N N 47 108.218 108.218 106.978 1.240 25761 7804 1 16 . 1 1 47 47 GLY CA C 47 43.970 43.970 44.816 -0.846 25761 7805 1 16 . 1 1 47 47 GLY H H 47 8.159 8.159 8.599 -0.440 25761 7806 1 16 . 1 1 48 48 THR N N 48 109.683 109.683 111.543 -1.860 25761 7807 1 16 . 1 1 48 48 THR HA H 48 4.639 4.639 4.524 0.115 25761 7808 1 16 . 1 1 48 48 THR CA C 48 57.215 57.215 59.658 -2.443 25761 7809 1 16 . 1 1 48 48 THR CB C 48 69.275 69.275 70.553 -1.278 25761 7810 1 16 . 1 1 48 48 THR H H 48 7.485 7.485 7.549 -0.064 25761 7811 1 16 . 1 1 49 49 ALA N N 49 122.571 122.571 121.759 0.812 25761 7812 1 16 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.656 0.500 25761 7813 1 16 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.664 -3.654 25761 7814 1 16 . 1 1 49 49 ALA CB C 49 21.004 21.004 21.798 -0.794 25761 7815 1 16 . 1 1 49 49 ALA H H 49 8.530 8.530 8.493 0.037 25761 7816 1 16 . 1 1 50 50 ARG N N 50 115.654 115.654 120.019 -4.365 25761 7817 1 16 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.679 -0.039 25761 7818 1 16 . 1 1 50 50 ARG CA C 50 51.506 51.506 55.412 -3.906 25761 7819 1 16 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.682 -0.850 25761 7820 1 16 . 1 1 50 50 ARG H H 50 8.168 8.168 7.900 0.268 25761 7821 1 16 . 1 1 51 51 LEU N N 51 122.400 122.400 121.607 0.793 25761 7822 1 16 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.574 0.700 25761 7823 1 16 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.144 -3.768 25761 7824 1 16 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.804 -1.645 25761 7825 1 16 . 1 1 51 51 LEU H H 51 8.213 8.213 8.275 -0.062 25761 7826 1 16 . 1 1 52 52 PHE N N 52 124.579 124.579 120.717 3.862 25761 7827 1 16 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.690 -0.140 25761 7828 1 16 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.849 -2.175 25761 7829 1 16 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.392 -2.773 25761 7830 1 16 . 1 1 52 52 PHE H H 52 9.546 9.546 9.233 0.313 25761 7831 1 16 . 1 1 53 53 SER N N 53 115.953 115.953 114.845 1.108 25761 7832 1 16 . 1 1 53 53 SER HA H 53 5.267 5.267 5.485 -0.218 25761 7833 1 16 . 1 1 53 53 SER CA C 53 53.513 53.513 56.362 -2.849 25761 7834 1 16 . 1 1 53 53 SER CB C 53 64.255 64.255 66.448 -2.193 25761 7835 1 16 . 1 1 53 53 SER H H 53 9.727 9.727 9.010 0.717 25761 7836 1 16 . 1 1 54 54 GLU N N 54 124.987 124.987 123.285 1.702 25761 7837 1 16 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.305 -0.697 25761 7838 1 16 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.500 -2.183 25761 7839 1 16 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.511 2.167 25761 7840 1 16 . 1 1 54 54 GLU H H 54 8.431 8.431 8.149 0.282 25761 7841 1 16 . 1 1 55 55 ALA N N 55 127.789 127.789 121.182 6.607 25761 7842 1 16 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.371 -0.111 25761 7843 1 16 . 1 1 55 55 ALA CA C 55 48.005 48.005 50.999 -2.994 25761 7844 1 16 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.342 -1.660 25761 7845 1 16 . 1 1 55 55 ALA H H 55 8.430 8.430 7.603 0.827 25761 7846 1 16 . 1 1 56 56 THR N N 56 111.341 111.341 111.342 -0.001 25761 7847 1 16 . 1 1 56 56 THR HA H 56 5.038 5.038 5.267 -0.229 25761 7848 1 16 . 1 1 56 56 THR CA C 56 58.078 58.078 60.715 -2.637 25761 7849 1 16 . 1 1 56 56 THR CB C 56 68.505 68.505 71.898 -3.393 25761 7850 1 16 . 1 1 56 56 THR H H 56 7.923 7.923 8.032 -0.109 25761 7851 1 16 . 1 1 57 57 ARG N N 57 124.295 124.295 122.319 1.976 25761 7852 1 16 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.591 -0.004 25761 7853 1 16 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.596 -3.271 25761 7854 1 16 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.985 -1.318 25761 7855 1 16 . 1 1 57 57 ARG H H 57 9.054 9.054 8.809 0.245 25761 7856 1 16 . 1 1 58 58 GLY N N 58 109.220 109.220 108.426 0.794 25761 7857 1 16 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.306 -1.710 25761 7858 1 16 . 1 1 58 58 GLY H H 58 8.706 8.706 8.764 -0.058 25761 7859 1 16 . 1 1 59 59 ASP N N 59 120.555 120.555 119.389 1.166 25761 7860 1 16 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.698 -0.112 25761 7861 1 16 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.482 -3.113 25761 7862 1 16 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.377 -3.980 25761 7863 1 16 . 1 1 59 59 ASP H H 59 8.194 8.194 7.770 0.424 25761 7864 1 16 . 1 1 60 60 GLY N N 60 107.833 107.833 109.152 -1.319 25761 7865 1 16 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.617 -2.704 25761 7866 1 16 . 1 1 60 60 GLY H H 60 7.999 7.999 7.800 0.199 25761 7867 1 16 . 1 1 61 61 GLU N N 61 121.205 121.205 119.604 1.601 25761 7868 1 16 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.283 -0.097 25761 7869 1 16 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.533 -1.539 25761 7870 1 16 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.328 -2.397 25761 7871 1 16 . 1 1 61 61 GLU H H 61 7.910 7.910 8.203 -0.293 25761 7872 1 16 . 1 1 62 62 ARG N N 62 125.261 125.261 128.144 -2.883 25761 7873 1 16 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.990 -0.178 25761 7874 1 16 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.169 -3.282 25761 7875 1 16 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.872 -2.954 25761 7876 1 16 . 1 1 62 62 ARG H H 62 8.219 8.219 8.466 -0.247 25761 7877 1 16 . 1 1 63 63 PHE N N 63 120.777 120.777 120.016 0.761 25761 7878 1 16 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.698 0.181 25761 7879 1 16 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.456 -2.656 25761 7880 1 16 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.092 -0.929 25761 7881 1 16 . 1 1 63 63 PHE H H 63 8.431 8.431 8.086 0.345 25761 7882 1 16 . 1 1 64 64 TRP N N 64 119.550 119.550 121.789 -2.239 25761 7883 1 16 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.044 -0.018 25761 7884 1 16 . 1 1 64 64 TRP CA C 64 53.189 53.189 56.143 -2.954 25761 7885 1 16 . 1 1 64 64 TRP CB C 64 29.883 29.883 29.642 0.241 25761 7886 1 16 . 1 1 64 64 TRP H H 64 8.914 8.914 8.660 0.254 25761 7887 1 16 . 1 1 65 65 MET N N 65 118.324 118.324 121.120 -2.796 25761 7888 1 16 . 1 1 65 65 MET HA H 65 5.156 5.156 5.124 0.032 25761 7889 1 16 . 1 1 65 65 MET CA C 65 50.438 50.438 53.924 -3.486 25761 7890 1 16 . 1 1 65 65 MET CB C 65 32.296 32.296 35.729 -3.433 25761 7891 1 16 . 1 1 65 65 MET H H 65 9.282 9.282 9.020 0.262 25761 7892 1 16 . 1 1 66 66 GLN N N 66 119.469 119.469 119.776 -0.307 25761 7893 1 16 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.886 0.628 25761 7894 1 16 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.761 -2.796 25761 7895 1 16 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.607 -0.107 25761 7896 1 16 . 1 1 66 66 GLN H H 66 8.785 8.785 8.765 0.020 25761 7897 1 16 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.305 -0.184 25761 7898 1 16 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.849 -2.983 25761 7899 1 16 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.327 -2.290 25761 7900 1 16 . 1 1 68 68 VAL N N 68 119.433 119.433 119.031 0.402 25761 7901 1 16 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.000 -0.041 25761 7902 1 16 . 1 1 68 68 VAL CA C 68 57.834 57.834 61.178 -3.344 25761 7903 1 16 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.733 -1.702 25761 7904 1 16 . 1 1 68 68 VAL H H 68 8.464 8.464 7.654 0.810 25761 7905 1 16 . 1 1 69 69 ARG N N 69 127.119 127.119 125.496 1.623 25761 7906 1 16 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.566 -0.230 25761 7907 1 16 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.051 -3.239 25761 7908 1 16 . 1 1 69 69 ARG CB C 69 25.923 25.923 29.013 -3.090 25761 7909 1 16 . 1 1 69 69 ARG H H 69 8.519 8.519 8.406 0.113 25761 7910 1 16 . 1 1 70 70 SER N N 70 115.574 115.574 117.030 -1.456 25761 7911 1 16 . 1 1 70 70 SER HA H 70 4.598 4.598 4.617 -0.019 25761 7912 1 16 . 1 1 70 70 SER CA C 70 54.127 54.127 57.996 -3.869 25761 7913 1 16 . 1 1 70 70 SER CB C 70 62.189 62.189 65.764 -3.575 25761 7914 1 16 . 1 1 70 70 SER H H 70 7.955 7.955 7.774 0.181 25761 7915 1 16 . 1 1 71 71 THR N N 71 114.592 114.592 117.774 -3.182 25761 7916 1 16 . 1 1 71 71 THR HA H 71 5.244 5.244 4.542 0.702 25761 7917 1 16 . 1 1 71 71 THR CA C 71 58.147 58.147 61.249 -3.102 25761 7918 1 16 . 1 1 71 71 THR CB C 71 66.895 66.895 69.078 -2.183 25761 7919 1 16 . 1 1 71 71 THR H H 71 8.285 8.285 8.477 -0.192 25761 7920 1 16 . 1 1 72 72 PHE N N 72 125.101 125.101 122.321 2.780 25761 7921 1 16 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.697 0.244 25761 7922 1 16 . 1 1 72 72 PHE CA C 72 53.135 53.135 54.677 -1.542 25761 7923 1 16 . 1 1 72 72 PHE CB C 72 36.931 36.931 41.827 -4.896 25761 7924 1 16 . 1 1 72 72 PHE H H 72 8.649 8.649 8.062 0.587 25761 7925 1 16 . 1 1 73 73 GLU N N 73 129.014 129.014 126.045 2.969 25761 7926 1 16 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.054 -0.503 25761 7927 1 16 . 1 1 73 73 GLU CA C 73 59.415 59.415 62.148 -2.733 25761 7928 1 16 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.396 5.496 25761 7929 1 16 . 1 1 73 73 GLU H H 73 9.018 9.018 9.296 -0.278 25761 7930 1 16 . 1 1 74 74 PRO CB C 74 29.097 29.097 30.975 -1.878 25761 7931 1 16 . 1 1 75 75 ASP N N 75 116.246 116.246 118.128 -1.882 25761 7932 1 16 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.740 -0.290 25761 7933 1 16 . 1 1 75 75 ASP CA C 75 54.550 54.550 55.410 -0.860 25761 7934 1 16 . 1 1 75 75 ASP CB C 75 37.741 37.741 42.157 -4.416 25761 7935 1 16 . 1 1 75 75 ASP H H 75 7.493 7.493 7.984 -0.491 25761 7936 1 16 . 1 1 76 76 LEU N N 76 121.503 121.503 120.108 1.395 25761 7937 1 16 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.139 -0.153 25761 7938 1 16 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.379 -4.135 25761 7939 1 16 . 1 1 76 76 LEU CB C 76 37.239 37.239 41.519 -4.280 25761 7940 1 16 . 1 1 76 76 LEU H H 76 7.651 7.651 8.132 -0.481 25761 7941 1 16 . 1 1 77 77 ASP N N 77 120.554 120.554 120.016 0.538 25761 7942 1 16 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.409 -0.118 25761 7943 1 16 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.364 -2.669 25761 7944 1 16 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.866 -3.672 25761 7945 1 16 . 1 1 77 77 ASP H H 77 8.117 8.117 8.548 -0.431 25761 7946 1 16 . 1 1 78 78 ALA N N 78 121.953 121.953 121.991 -0.038 25761 7947 1 16 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.068 0.075 25761 7948 1 16 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.637 -2.267 25761 7949 1 16 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.173 -2.774 25761 7950 1 16 . 1 1 78 78 ALA H H 78 7.904 7.904 7.911 -0.007 25761 7951 1 16 . 1 1 79 79 TYR N N 79 119.746 119.746 120.475 -0.729 25761 7952 1 16 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.062 -0.173 25761 7953 1 16 . 1 1 79 79 TYR CA C 79 59.385 59.385 60.156 -0.770 25761 7954 1 16 . 1 1 79 79 TYR CB C 79 35.811 35.811 37.878 -2.067 25761 7955 1 16 . 1 1 79 79 TYR H H 79 7.422 7.422 8.244 -0.822 25761 7956 1 16 . 1 1 80 80 ALA N N 80 122.107 122.107 120.199 1.908 25761 7957 1 16 . 1 1 80 80 ALA HA H 80 3.770 3.770 3.619 0.151 25761 7958 1 16 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.047 -2.517 25761 7959 1 16 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.149 -2.771 25761 7960 1 16 . 1 1 80 80 ALA H H 80 8.376 8.376 7.788 0.588 25761 7961 1 16 . 1 1 81 81 GLU N N 81 118.620 118.620 117.828 0.792 25761 7962 1 16 . 1 1 81 81 GLU HA H 81 3.844 3.844 3.949 -0.105 25761 7963 1 16 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.917 -2.204 25761 7964 1 16 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.566 -2.687 25761 7965 1 16 . 1 1 81 81 GLU H H 81 8.149 8.149 7.524 0.625 25761 7966 1 16 . 1 1 82 82 ARG N N 82 120.032 120.032 119.893 0.139 25761 7967 1 16 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.065 -0.317 25761 7968 1 16 . 1 1 82 82 ARG CA C 82 56.787 56.787 59.100 -2.313 25761 7969 1 16 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.328 -5.175 25761 7970 1 16 . 1 1 82 82 ARG H H 82 7.535 7.535 8.213 -0.678 25761 7971 1 16 . 1 1 83 83 ALA N N 83 122.089 122.089 121.559 0.530 25761 7972 1 16 . 1 1 83 83 ALA HA H 83 3.708 3.708 4.096 -0.388 25761 7973 1 16 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.935 -2.610 25761 7974 1 16 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.284 -2.615 25761 7975 1 16 . 1 1 83 83 ALA H H 83 8.467 8.467 8.357 0.110 25761 7976 1 16 . 1 1 84 84 ALA N N 84 118.529 118.529 118.622 -0.093 25761 7977 1 16 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.327 -0.085 25761 7978 1 16 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.624 -3.635 25761 7979 1 16 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.422 -3.241 25761 7980 1 16 . 1 1 84 84 ALA H H 84 7.517 7.517 7.454 0.063 25761 7981 1 16 . 1 1 85 85 ARG N N 85 117.478 117.478 117.191 0.287 25761 7982 1 16 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.154 -0.167 25761 7983 1 16 . 1 1 85 85 ARG CA C 85 55.691 55.691 58.215 -2.524 25761 7984 1 16 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.694 -3.108 25761 7985 1 16 . 1 1 85 85 ARG H H 85 7.278 7.278 7.506 -0.228 25761 7986 1 16 . 1 1 86 86 ILE N N 86 118.079 118.079 116.724 1.355 25761 7987 1 16 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.188 -0.441 25761 7988 1 16 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.347 -0.816 25761 7989 1 16 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.656 -3.443 25761 7990 1 16 . 1 1 86 86 ILE H H 86 7.286 7.286 7.582 -0.296 25761 7991 1 16 . 1 1 87 87 ASP N N 87 117.833 117.833 121.364 -3.531 25761 7992 1 16 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.171 -0.191 25761 7993 1 16 . 1 1 87 87 ASP CA C 87 47.642 47.642 51.502 -3.860 25761 7994 1 16 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.431 -2.255 25761 7995 1 16 . 1 1 87 87 ASP H H 87 7.973 7.973 7.948 0.025 25761 7996 1 16 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.224 0.417 25761 7997 1 16 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.522 -3.973 25761 7998 1 16 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.017 -2.458 25761 7999 1 16 . 1 1 89 89 ASP N N 89 120.189 120.189 115.180 5.009 25761 8000 1 16 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.500 0.186 25761 8001 1 16 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.220 -0.847 25761 8002 1 16 . 1 1 89 89 ASP H H 89 7.960 7.960 8.635 -0.675 25761 8003 1 16 . 1 1 90 90 ILE N N 90 120.372 120.372 121.320 -0.948 25761 8004 1 16 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.365 0.190 25761 8005 1 16 . 1 1 90 90 ILE CA C 90 60.022 60.022 61.247 -1.225 25761 8006 1 16 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.584 -1.386 25761 8007 1 16 . 1 1 90 90 ILE H H 90 7.234 7.234 7.339 -0.105 25761 8008 1 16 . 1 1 91 91 TRP N N 91 122.596 122.596 127.685 -5.089 25761 8009 1 16 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.031 -0.142 25761 8010 1 16 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.322 -3.655 25761 8011 1 16 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.508 -2.878 25761 8012 1 16 . 1 1 91 91 TRP H H 91 9.295 9.295 8.861 0.434 25761 8013 1 16 . 1 1 92 92 VAL N N 92 118.958 118.958 124.068 -5.110 25761 8014 1 16 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.280 0.868 25761 8015 1 16 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.754 -2.357 25761 8016 1 16 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.182 -1.357 25761 8017 1 16 . 1 1 92 92 VAL H H 92 9.040 9.040 8.879 0.161 25761 8018 1 16 . 1 1 93 93 VAL N N 93 129.129 129.129 128.946 0.183 25761 8019 1 16 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.718 0.051 25761 8020 1 16 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.599 -3.284 25761 8021 1 16 . 1 1 93 93 VAL CB C 93 32.548 32.548 31.903 0.645 25761 8022 1 16 . 1 1 93 93 VAL H H 93 9.201 9.201 8.336 0.865 25761 8023 1 16 . 1 1 94 94 GLU N N 94 126.192 126.192 128.378 -2.186 25761 8024 1 16 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.475 0.937 25761 8025 1 16 . 1 1 94 94 GLU CA C 94 51.764 51.764 56.300 -4.535 25761 8026 1 16 . 1 1 94 94 GLU CB C 94 29.584 29.584 30.808 -1.224 25761 8027 1 16 . 1 1 94 94 GLU H H 94 9.161 9.161 8.798 0.363 25761 8028 1 16 . 1 1 95 95 ILE N N 95 125.285 125.285 126.206 -0.921 25761 8029 1 16 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.572 0.199 25761 8030 1 16 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.565 -1.246 25761 8031 1 16 . 1 1 95 95 ILE CB C 95 38.475 38.475 37.745 0.730 25761 8032 1 16 . 1 1 95 95 ILE H H 95 9.347 9.347 8.827 0.520 25761 8033 1 16 . 1 1 96 96 GLU N N 96 128.539 128.539 129.077 -0.538 25761 8034 1 16 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.502 0.653 25761 8035 1 16 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.468 -2.917 25761 8036 1 16 . 1 1 96 96 GLU CB C 96 29.061 29.061 29.935 -0.874 25761 8037 1 16 . 1 1 96 96 GLU H H 96 9.390 9.390 8.999 0.391 25761 8038 1 16 . 1 1 97 97 ASP N N 97 123.516 123.516 123.337 0.179 25761 8039 1 16 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.965 0.354 25761 8040 1 16 . 1 1 97 97 ASP CA C 97 50.769 50.769 51.465 -0.696 25761 8041 1 16 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.722 2.115 25761 8042 1 16 . 1 1 97 97 ASP H H 97 8.582 8.582 8.131 0.451 25761 8043 1 16 . 1 1 98 98 ARG N N 98 127.597 127.597 120.450 7.147 25761 8044 1 16 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.155 -0.084 25761 8045 1 16 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.313 -2.827 25761 8046 1 16 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.629 -3.059 25761 8047 1 16 . 1 1 98 98 ARG H H 98 8.914 8.914 8.669 0.245 25761 8048 1 16 . 1 1 99 99 ASP N N 99 115.196 115.196 117.750 -2.554 25761 8049 1 16 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.525 0.453 25761 8050 1 16 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.478 -2.470 25761 8051 1 16 . 1 1 99 99 ASP CB C 99 39.782 39.782 39.144 0.638 25761 8052 1 16 . 1 1 99 99 ASP H H 99 7.379 7.379 8.057 -0.678 25761 8053 1 16 . 1 1 100 100 GLY N N 100 106.976 106.976 108.232 -1.256 25761 8054 1 16 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.610 -0.977 25761 8055 1 16 . 1 1 100 100 GLY H H 100 7.481 7.481 7.851 -0.370 25761 8056 1 16 . 1 1 101 101 ARG N N 101 120.072 120.072 120.458 -0.386 25761 8057 1 16 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.774 -0.332 25761 8058 1 16 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.987 -1.800 25761 8059 1 16 . 1 1 101 101 ARG CB C 101 27.859 27.859 29.247 -1.388 25761 8060 1 16 . 1 1 101 101 ARG H H 101 8.798 8.798 7.890 0.908 25761 8061 1 16 . 1 1 102 102 HIS N N 102 112.990 112.990 122.864 -9.874 25761 8062 1 16 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.546 -0.193 25761 8063 1 16 . 1 1 102 102 HIS CA C 102 51.683 51.683 56.510 -4.827 25761 8064 1 16 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.229 -0.705 25761 8065 1 16 . 1 1 102 102 HIS H H 102 5.928 5.928 7.908 -1.980 25761 8066 1 16 . 1 1 103 103 PHE N N 103 106.623 106.623 115.837 -9.214 25761 8067 1 16 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.199 -0.806 25761 8068 1 16 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.570 -0.695 25761 8069 1 16 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.845 -3.494 25761 8070 1 16 . 1 1 103 103 PHE H H 103 6.660 6.660 7.825 -1.165 25761 8071 1 16 . 1 1 104 104 LEU N N 104 123.743 123.743 118.034 5.709 25761 8072 1 16 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.386 -0.138 25761 8073 1 16 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.266 -2.416 25761 8074 1 16 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.479 -4.222 25761 8075 1 16 . 1 1 104 104 LEU H H 104 10.737 10.737 7.708 3.029 25761 8076 1 16 . 1 1 105 105 THR N N 105 113.822 113.822 114.414 -0.592 25761 8077 1 16 . 1 1 105 105 THR HA H 105 4.313 4.313 4.478 -0.165 25761 8078 1 16 . 1 1 105 105 THR CA C 105 59.658 59.658 62.351 -2.693 25761 8079 1 16 . 1 1 105 105 THR CB C 105 66.210 66.210 69.288 -3.078 25761 8080 1 16 . 1 1 105 105 THR H H 105 9.213 9.213 8.287 0.926 25761 8081 1 16 . 1 1 106 106 GLU N N 106 123.871 123.871 121.639 2.232 25761 8082 1 16 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.721 -0.108 25761 8083 1 16 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.475 -7.340 25761 8084 1 16 . 1 1 106 106 GLU H H 106 7.734 7.734 8.384 -0.650 25761 8085 1 16 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.561 -0.297 25761 8086 1 16 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.094 -1.630 25761 8087 1 16 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.673 -2.870 25761 8088 1 16 . 1 1 108 108 VAL N N 108 120.628 120.628 121.009 -0.381 25761 8089 1 16 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.056 -2.248 25761 8090 1 16 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.990 -2.800 25761 8091 1 16 . 1 1 108 108 VAL H H 108 8.137 8.137 8.172 -0.035 25761 8092 1 16 . 1 1 109 109 GLU N N 109 128.850 128.850 126.567 2.283 25761 8093 1 16 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.667 -0.228 25761 8094 1 16 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.254 -1.345 25761 8095 1 16 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.994 -3.547 25761 8096 1 16 . 1 1 109 109 GLU H H 109 9.095 9.095 8.935 0.160 25761 8097 1 17 . 1 1 2 2 MET HA H 2 4.380 4.380 4.578 -0.198 25761 8098 1 17 . 1 1 2 2 MET CA C 2 52.819 52.819 55.108 -2.288 25761 8099 1 17 . 1 1 2 2 MET CB C 2 30.830 30.830 33.126 -2.296 25761 8100 1 17 . 1 1 3 3 LEU N N 3 123.960 123.960 124.935 -0.975 25761 8101 1 17 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.746 -0.456 25761 8102 1 17 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.852 -2.182 25761 8103 1 17 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.835 -1.907 25761 8104 1 17 . 1 1 3 3 LEU H H 3 8.399 8.399 8.308 0.091 25761 8105 1 17 . 1 1 4 4 LEU N N 4 123.372 123.372 121.981 1.391 25761 8106 1 17 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.928 -0.471 25761 8107 1 17 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.020 -2.373 25761 8108 1 17 . 1 1 4 4 LEU CB C 4 41.002 41.002 43.312 -2.310 25761 8109 1 17 . 1 1 4 4 LEU H H 4 8.134 8.134 8.190 -0.056 25761 8110 1 17 . 1 1 5 5 SER N N 5 117.439 117.439 115.912 1.527 25761 8111 1 17 . 1 1 5 5 SER HA H 5 4.628 4.628 4.638 -0.010 25761 8112 1 17 . 1 1 5 5 SER CA C 5 56.192 56.192 56.455 -0.263 25761 8113 1 17 . 1 1 5 5 SER CB C 5 61.291 61.291 65.847 -4.556 25761 8114 1 17 . 1 1 5 5 SER H H 5 8.075 8.075 8.319 -0.244 25761 8115 1 17 . 1 1 6 6 THR N N 6 121.297 121.297 118.413 2.884 25761 8116 1 17 . 1 1 6 6 THR HA H 6 3.713 3.713 1.642 2.071 25761 8117 1 17 . 1 1 6 6 THR CA C 6 64.981 64.981 65.946 -0.965 25761 8118 1 17 . 1 1 6 6 THR CB C 6 65.860 65.860 67.694 -1.834 25761 8119 1 17 . 1 1 6 6 THR H H 6 7.681 7.681 7.903 -0.222 25761 8120 1 17 . 1 1 7 7 ASP N N 7 119.550 119.550 120.322 -0.772 25761 8121 1 17 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.536 0.206 25761 8122 1 17 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.717 -1.720 25761 8123 1 17 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.078 -3.286 25761 8124 1 17 . 1 1 7 7 ASP H H 7 9.044 9.044 7.728 1.316 25761 8125 1 17 . 1 1 8 8 ILE N N 8 123.495 123.495 120.190 3.305 25761 8126 1 17 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.804 -0.083 25761 8127 1 17 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.119 -2.144 25761 8128 1 17 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.548 -1.421 25761 8129 1 17 . 1 1 8 8 ILE H H 8 7.749 7.749 7.361 0.388 25761 8130 1 17 . 1 1 9 9 TRP N N 9 124.446 124.446 119.733 4.713 25761 8131 1 17 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.332 -0.488 25761 8132 1 17 . 1 1 9 9 TRP CA C 9 60.136 60.136 58.903 1.233 25761 8133 1 17 . 1 1 9 9 TRP CB C 9 26.975 26.975 27.995 -1.020 25761 8134 1 17 . 1 1 9 9 TRP H H 9 8.232 8.232 7.933 0.299 25761 8135 1 17 . 1 1 10 10 VAL N N 10 121.207 121.207 119.718 1.489 25761 8136 1 17 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.603 -0.438 25761 8137 1 17 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.179 -1.944 25761 8138 1 17 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.663 -1.647 25761 8139 1 17 . 1 1 10 10 VAL H H 10 9.240 9.240 7.789 1.451 25761 8140 1 17 . 1 1 11 11 ALA N N 11 120.679 120.679 122.325 -1.646 25761 8141 1 17 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.919 -0.070 25761 8142 1 17 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.517 -3.038 25761 8143 1 17 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.012 -2.866 25761 8144 1 17 . 1 1 11 11 ALA H H 11 7.718 7.718 8.155 -0.437 25761 8145 1 17 . 1 1 12 12 ALA N N 12 120.217 120.217 121.287 -1.070 25761 8146 1 17 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.069 -0.164 25761 8147 1 17 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.792 -2.796 25761 8148 1 17 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.399 -3.460 25761 8149 1 17 . 1 1 12 12 ALA H H 12 7.642 7.642 7.550 0.092 25761 8150 1 17 . 1 1 13 13 LEU N N 13 122.821 122.821 121.086 1.735 25761 8151 1 17 . 1 1 13 13 LEU HA H 13 3.545 3.545 3.993 -0.448 25761 8152 1 17 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.967 -2.425 25761 8153 1 17 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.818 -3.369 25761 8154 1 17 . 1 1 13 13 LEU H H 13 7.320 7.320 8.218 -0.898 25761 8155 1 17 . 1 1 14 14 ILE N N 14 117.258 117.258 118.740 -1.482 25761 8156 1 17 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.586 -0.534 25761 8157 1 17 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.049 -1.844 25761 8158 1 17 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.241 -1.464 25761 8159 1 17 . 1 1 14 14 ILE H H 14 8.105 8.105 8.508 -0.404 25761 8160 1 17 . 1 1 15 15 ARG N N 15 117.921 117.921 119.103 -1.182 25761 8161 1 17 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.944 0.016 25761 8162 1 17 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.924 -3.856 25761 8163 1 17 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.900 -2.598 25761 8164 1 17 . 1 1 15 15 ARG H H 15 7.574 7.574 7.808 -0.234 25761 8165 1 17 . 1 1 16 16 ARG N N 16 118.635 118.635 118.903 -0.268 25761 8166 1 17 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.111 -0.410 25761 8167 1 17 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.724 -1.071 25761 8168 1 17 . 1 1 16 16 ARG CB C 16 28.131 28.131 30.084 -1.953 25761 8169 1 17 . 1 1 16 16 ARG H H 16 7.832 7.832 8.301 -0.469 25761 8170 1 17 . 1 1 17 17 ALA N N 17 122.335 122.335 123.357 -1.022 25761 8171 1 17 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.645 0.407 25761 8172 1 17 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.684 7.676 25761 8173 1 17 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.991 -2.438 25761 8174 1 17 . 1 1 17 17 ALA H H 17 7.856 7.856 8.281 -0.425 25761 8175 1 17 . 1 1 18 18 GLU N N 18 118.223 118.223 119.395 -1.172 25761 8176 1 17 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.198 -0.207 25761 8177 1 17 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.824 -2.335 25761 8178 1 17 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.489 -2.703 25761 8179 1 17 . 1 1 18 18 GLU H H 18 8.303 8.303 7.976 0.327 25761 8180 1 17 . 1 1 19 19 LEU N N 19 122.454 122.454 120.352 2.102 25761 8181 1 17 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.021 -0.017 25761 8182 1 17 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.072 -2.215 25761 8183 1 17 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.865 -2.751 25761 8184 1 17 . 1 1 19 19 LEU H H 19 8.402 8.402 7.764 0.638 25761 8185 1 17 . 1 1 20 20 GLY N N 20 105.446 105.446 104.421 1.025 25761 8186 1 17 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.257 -2.514 25761 8187 1 17 . 1 1 20 20 GLY H H 20 7.468 7.468 7.576 -0.108 25761 8188 1 17 . 1 1 21 21 GLY N N 21 107.714 107.714 107.726 -0.012 25761 8189 1 17 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.500 -1.873 25761 8190 1 17 . 1 1 21 21 GLY H H 21 7.754 7.754 7.660 0.094 25761 8191 1 17 . 1 1 22 22 ALA N N 22 123.725 123.725 123.406 0.319 25761 8192 1 17 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.459 0.205 25761 8193 1 17 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.488 -3.250 25761 8194 1 17 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.863 -1.580 25761 8195 1 17 . 1 1 22 22 ALA H H 22 8.012 8.012 7.530 0.482 25761 8196 1 17 . 1 1 23 23 PHE N N 23 117.564 117.564 121.099 -3.535 25761 8197 1 17 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.743 0.096 25761 8198 1 17 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.832 -3.070 25761 8199 1 17 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.670 -2.014 25761 8200 1 17 . 1 1 23 23 PHE H H 23 8.128 8.128 8.277 -0.149 25761 8201 1 17 . 1 1 24 24 ALA N N 24 128.638 128.638 128.958 -0.320 25761 8202 1 17 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.305 0.147 25761 8203 1 17 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.813 -3.302 25761 8204 1 17 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.287 -0.909 25761 8205 1 17 . 1 1 24 24 ALA H H 24 8.542 8.542 8.168 0.374 25761 8206 1 17 . 1 1 25 25 THR N N 25 115.207 115.207 114.512 0.695 25761 8207 1 17 . 1 1 25 25 THR HA H 25 4.394 4.394 4.420 -0.026 25761 8208 1 17 . 1 1 25 25 THR CA C 25 57.830 57.830 61.700 -3.869 25761 8209 1 17 . 1 1 25 25 THR CB C 25 69.095 69.095 70.718 -1.623 25761 8210 1 17 . 1 1 25 25 THR H H 25 9.003 9.003 8.162 0.841 25761 8211 1 17 . 1 1 26 26 VAL N N 26 125.712 125.712 121.779 3.933 25761 8212 1 17 . 1 1 26 26 VAL HA H 26 4.182 4.182 5.005 -0.823 25761 8213 1 17 . 1 1 26 26 VAL CA C 26 60.486 60.486 60.424 0.062 25761 8214 1 17 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.987 -5.439 25761 8215 1 17 . 1 1 26 26 VAL H H 26 8.739 8.739 8.339 0.400 25761 8216 1 17 . 1 1 27 27 ALA N N 27 134.206 134.206 132.007 2.199 25761 8217 1 17 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.515 -0.270 25761 8218 1 17 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.282 -1.540 25761 8219 1 17 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.369 -3.838 25761 8220 1 17 . 1 1 27 27 ALA H H 27 8.412 8.412 9.136 -0.724 25761 8221 1 17 . 1 1 28 28 ARG N N 28 117.751 117.751 117.723 0.028 25761 8222 1 17 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.384 -0.176 25761 8223 1 17 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.716 -2.058 25761 8224 1 17 . 1 1 28 28 ARG CB C 28 31.000 31.000 34.173 -3.173 25761 8225 1 17 . 1 1 28 28 ARG H H 28 8.090 8.090 7.663 0.427 25761 8226 1 17 . 1 1 29 29 LYS N N 29 128.417 128.417 122.623 5.794 25761 8227 1 17 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.503 -0.394 25761 8228 1 17 . 1 1 29 29 LYS CA C 29 52.792 52.792 53.814 -1.022 25761 8229 1 17 . 1 1 29 29 LYS CB C 29 30.289 30.289 35.035 -4.747 25761 8230 1 17 . 1 1 29 29 LYS H H 29 8.536 8.536 8.214 0.322 25761 8231 1 17 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.626 -2.768 25761 8232 1 17 . 1 1 31 31 ASP N N 31 120.477 120.477 121.536 -1.059 25761 8233 1 17 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.466 0.038 25761 8234 1 17 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.695 -2.058 25761 8235 1 17 . 1 1 31 31 ASP CB C 31 40.350 40.350 40.076 0.274 25761 8236 1 17 . 1 1 31 31 ASP H H 31 8.445 8.445 8.816 -0.371 25761 8237 1 17 . 1 1 32 32 ALA N N 32 133.865 133.865 122.142 11.723 25761 8238 1 17 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.128 0.241 25761 8239 1 17 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.486 -1.199 25761 8240 1 17 . 1 1 32 32 ALA CB C 32 17.055 17.055 18.159 -1.104 25761 8241 1 17 . 1 1 32 32 ALA H H 32 9.236 9.236 8.999 0.237 25761 8242 1 17 . 1 1 33 33 ARG N N 33 113.991 113.991 115.716 -1.725 25761 8243 1 17 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.208 0.206 25761 8244 1 17 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.022 -2.237 25761 8245 1 17 . 1 1 33 33 ARG CB C 33 28.183 28.183 32.044 -3.861 25761 8246 1 17 . 1 1 33 33 ARG H H 33 7.913 7.913 8.424 -0.511 25761 8247 1 17 . 1 1 34 34 ALA N N 34 120.593 120.593 122.165 -1.572 25761 8248 1 17 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.604 0.070 25761 8249 1 17 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.704 -2.168 25761 8250 1 17 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.159 -2.345 25761 8251 1 17 . 1 1 34 34 ALA H H 34 8.306 8.306 7.466 0.840 25761 8252 1 17 . 1 1 35 35 GLY N N 35 107.349 107.349 108.272 -0.923 25761 8253 1 17 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.712 -0.262 25761 8254 1 17 . 1 1 35 35 GLY H H 35 7.715 7.715 7.512 0.203 25761 8255 1 17 . 1 1 36 36 ALA N N 36 127.073 127.073 127.231 -0.158 25761 8256 1 17 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.651 -0.293 25761 8257 1 17 . 1 1 36 36 ALA CA C 36 49.141 49.141 52.355 -3.213 25761 8258 1 17 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.223 -3.256 25761 8259 1 17 . 1 1 36 36 ALA H H 36 8.935 8.935 8.017 0.918 25761 8260 1 17 . 1 1 37 37 VAL N N 37 116.903 116.903 119.690 -2.787 25761 8261 1 17 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.429 -0.680 25761 8262 1 17 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.579 -1.997 25761 8263 1 17 . 1 1 37 37 VAL H H 37 7.830 7.830 8.324 -0.494 25761 8264 1 17 . 1 1 38 38 LEU N N 38 126.366 126.366 129.032 -2.666 25761 8265 1 17 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.340 0.191 25761 8266 1 17 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.040 -2.165 25761 8267 1 17 . 1 1 38 38 LEU CB C 38 41.970 41.970 42.977 -1.007 25761 8268 1 17 . 1 1 38 38 LEU H H 38 8.926 8.926 9.038 -0.112 25761 8269 1 17 . 1 1 39 39 VAL N N 39 121.843 121.843 125.847 -4.004 25761 8270 1 17 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.723 0.156 25761 8271 1 17 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.702 -2.359 25761 8272 1 17 . 1 1 39 39 VAL CB C 39 32.192 32.192 30.804 1.388 25761 8273 1 17 . 1 1 39 39 VAL H H 39 8.819 8.819 9.142 -0.323 25761 8274 1 17 . 1 1 40 40 LYS N N 40 129.592 129.592 128.789 0.803 25761 8275 1 17 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.459 0.820 25761 8276 1 17 . 1 1 40 40 LYS CA C 40 47.991 47.991 55.892 -7.901 25761 8277 1 17 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.474 -2.792 25761 8278 1 17 . 1 1 40 40 LYS H H 40 9.438 9.438 8.829 0.609 25761 8279 1 17 . 1 1 41 41 ALA N N 41 131.659 131.659 129.435 2.224 25761 8280 1 17 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.323 -0.074 25761 8281 1 17 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.432 1.384 25761 8282 1 17 . 1 1 41 41 ALA CB C 41 17.645 17.645 22.207 -4.562 25761 8283 1 17 . 1 1 41 41 ALA H H 41 9.349 9.349 8.736 0.613 25761 8284 1 17 . 1 1 42 42 VAL N N 42 127.668 127.668 124.634 3.034 25761 8285 1 17 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.327 -0.058 25761 8286 1 17 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.043 -1.422 25761 8287 1 17 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.392 -1.514 25761 8288 1 17 . 1 1 42 42 VAL H H 42 9.517 9.517 8.918 0.599 25761 8289 1 17 . 1 1 43 43 ASP N N 43 127.524 127.524 127.769 -0.245 25761 8290 1 17 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.863 0.023 25761 8291 1 17 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.635 -3.005 25761 8292 1 17 . 1 1 43 43 ASP CB C 43 38.527 38.527 42.066 -3.539 25761 8293 1 17 . 1 1 43 43 ASP H H 43 8.821 8.821 8.714 0.107 25761 8294 1 17 . 1 1 44 44 ARG N N 44 123.676 123.676 126.936 -3.260 25761 8295 1 17 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.030 0.065 25761 8296 1 17 . 1 1 44 44 ARG CA C 44 54.671 54.671 58.000 -3.329 25761 8297 1 17 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.440 -2.346 25761 8298 1 17 . 1 1 44 44 ARG H H 44 8.435 8.435 8.300 0.135 25761 8299 1 17 . 1 1 45 45 ARG N N 45 120.486 120.486 118.208 2.278 25761 8300 1 17 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.271 -0.140 25761 8301 1 17 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.196 -1.589 25761 8302 1 17 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.041 -1.977 25761 8303 1 17 . 1 1 45 45 ARG H H 45 8.551 8.551 8.446 0.105 25761 8304 1 17 . 1 1 46 46 GLU N N 46 116.189 116.189 117.715 -1.526 25761 8305 1 17 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.391 -0.138 25761 8306 1 17 . 1 1 46 46 GLU CA C 46 53.438 53.438 55.877 -2.439 25761 8307 1 17 . 1 1 46 46 GLU CB C 46 28.616 28.616 29.982 -1.366 25761 8308 1 17 . 1 1 46 46 GLU H H 46 7.918 7.918 8.303 -0.385 25761 8309 1 17 . 1 1 47 47 GLY N N 47 108.218 108.218 109.140 -0.922 25761 8310 1 17 . 1 1 47 47 GLY CA C 47 43.970 43.970 46.079 -2.109 25761 8311 1 17 . 1 1 47 47 GLY H H 47 8.159 8.159 7.908 0.251 25761 8312 1 17 . 1 1 48 48 THR N N 48 109.683 109.683 111.433 -1.750 25761 8313 1 17 . 1 1 48 48 THR HA H 48 4.639 4.639 4.298 0.341 25761 8314 1 17 . 1 1 48 48 THR CA C 48 57.215 57.215 60.507 -3.292 25761 8315 1 17 . 1 1 48 48 THR CB C 48 69.275 69.275 70.349 -1.073 25761 8316 1 17 . 1 1 48 48 THR H H 48 7.485 7.485 7.215 0.270 25761 8317 1 17 . 1 1 49 49 ALA N N 49 122.571 122.571 121.546 1.025 25761 8318 1 17 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.025 0.131 25761 8319 1 17 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.170 -3.159 25761 8320 1 17 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.517 -1.513 25761 8321 1 17 . 1 1 49 49 ALA H H 49 8.530 8.530 8.207 0.323 25761 8322 1 17 . 1 1 50 50 ARG N N 50 115.654 115.654 117.039 -1.385 25761 8323 1 17 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.726 -0.086 25761 8324 1 17 . 1 1 50 50 ARG CA C 50 51.506 51.506 53.382 -1.876 25761 8325 1 17 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.989 -1.157 25761 8326 1 17 . 1 1 50 50 ARG H H 50 8.168 8.168 8.725 -0.557 25761 8327 1 17 . 1 1 51 51 LEU N N 51 122.400 122.400 120.407 1.993 25761 8328 1 17 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.325 0.949 25761 8329 1 17 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.720 -3.344 25761 8330 1 17 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.375 -1.216 25761 8331 1 17 . 1 1 51 51 LEU H H 51 8.213 8.213 8.182 0.031 25761 8332 1 17 . 1 1 52 52 PHE N N 52 124.579 124.579 121.506 3.073 25761 8333 1 17 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.735 -0.185 25761 8334 1 17 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.697 -2.023 25761 8335 1 17 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.546 -1.927 25761 8336 1 17 . 1 1 52 52 PHE H H 52 9.546 9.546 8.663 0.883 25761 8337 1 17 . 1 1 53 53 SER N N 53 115.953 115.953 115.895 0.058 25761 8338 1 17 . 1 1 53 53 SER HA H 53 5.267 5.267 5.781 -0.514 25761 8339 1 17 . 1 1 53 53 SER CA C 53 53.513 53.513 56.718 -3.205 25761 8340 1 17 . 1 1 53 53 SER CB C 53 64.255 64.255 66.921 -2.666 25761 8341 1 17 . 1 1 53 53 SER H H 53 9.727 9.727 9.267 0.460 25761 8342 1 17 . 1 1 54 54 GLU N N 54 124.987 124.987 123.389 1.598 25761 8343 1 17 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.357 -0.749 25761 8344 1 17 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.803 -2.486 25761 8345 1 17 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.278 2.399 25761 8346 1 17 . 1 1 54 54 GLU H H 54 8.431 8.431 8.240 0.191 25761 8347 1 17 . 1 1 55 55 ALA N N 55 127.789 127.789 125.429 2.360 25761 8348 1 17 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.545 -0.285 25761 8349 1 17 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.014 -3.010 25761 8350 1 17 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.837 -2.155 25761 8351 1 17 . 1 1 55 55 ALA H H 55 8.430 8.430 7.685 0.745 25761 8352 1 17 . 1 1 56 56 THR N N 56 111.341 111.341 111.052 0.289 25761 8353 1 17 . 1 1 56 56 THR HA H 56 5.038 5.038 5.232 -0.194 25761 8354 1 17 . 1 1 56 56 THR CA C 56 58.078 58.078 59.380 -1.302 25761 8355 1 17 . 1 1 56 56 THR CB C 56 68.505 68.505 72.149 -3.644 25761 8356 1 17 . 1 1 56 56 THR H H 56 7.923 7.923 7.776 0.147 25761 8357 1 17 . 1 1 57 57 ARG N N 57 124.295 124.295 121.109 3.186 25761 8358 1 17 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.833 -0.246 25761 8359 1 17 . 1 1 57 57 ARG CA C 57 52.325 52.325 54.957 -2.632 25761 8360 1 17 . 1 1 57 57 ARG CB C 57 29.667 29.667 31.010 -1.343 25761 8361 1 17 . 1 1 57 57 ARG H H 57 9.054 9.054 8.772 0.282 25761 8362 1 17 . 1 1 58 58 GLY N N 58 109.220 109.220 107.379 1.841 25761 8363 1 17 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.291 -1.694 25761 8364 1 17 . 1 1 58 58 GLY H H 58 8.706 8.706 8.777 -0.071 25761 8365 1 17 . 1 1 59 59 ASP N N 59 120.555 120.555 119.656 0.899 25761 8366 1 17 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.698 -0.112 25761 8367 1 17 . 1 1 59 59 ASP CA C 59 50.369 50.369 52.641 -2.272 25761 8368 1 17 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.932 -3.535 25761 8369 1 17 . 1 1 59 59 ASP H H 59 8.194 8.194 7.589 0.605 25761 8370 1 17 . 1 1 60 60 GLY N N 60 107.833 107.833 108.549 -0.716 25761 8371 1 17 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.572 -2.659 25761 8372 1 17 . 1 1 60 60 GLY H H 60 7.999 7.999 8.057 -0.058 25761 8373 1 17 . 1 1 61 61 GLU N N 61 121.205 121.205 120.021 1.184 25761 8374 1 17 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.248 -0.062 25761 8375 1 17 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.454 -1.460 25761 8376 1 17 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.408 -2.477 25761 8377 1 17 . 1 1 61 61 GLU H H 61 7.910 7.910 8.074 -0.164 25761 8378 1 17 . 1 1 62 62 ARG N N 62 125.261 125.261 127.151 -1.890 25761 8379 1 17 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.787 0.025 25761 8380 1 17 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.355 -3.468 25761 8381 1 17 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.261 -2.343 25761 8382 1 17 . 1 1 62 62 ARG H H 62 8.219 8.219 8.523 -0.304 25761 8383 1 17 . 1 1 63 63 PHE N N 63 120.777 120.777 120.214 0.563 25761 8384 1 17 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.641 0.238 25761 8385 1 17 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.292 -2.492 25761 8386 1 17 . 1 1 63 63 PHE CB C 63 39.163 39.163 41.139 -1.976 25761 8387 1 17 . 1 1 63 63 PHE H H 63 8.431 8.431 8.313 0.118 25761 8388 1 17 . 1 1 64 64 TRP N N 64 119.550 119.550 120.964 -1.414 25761 8389 1 17 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.335 -0.309 25761 8390 1 17 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.593 -2.404 25761 8391 1 17 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.328 -0.446 25761 8392 1 17 . 1 1 64 64 TRP H H 64 8.914 8.914 8.038 0.876 25761 8393 1 17 . 1 1 65 65 MET N N 65 118.324 118.324 121.281 -2.957 25761 8394 1 17 . 1 1 65 65 MET HA H 65 5.156 5.156 5.199 -0.043 25761 8395 1 17 . 1 1 65 65 MET CA C 65 50.438 50.438 54.521 -4.083 25761 8396 1 17 . 1 1 65 65 MET CB C 65 32.296 32.296 34.725 -2.429 25761 8397 1 17 . 1 1 65 65 MET H H 65 9.282 9.282 9.192 0.090 25761 8398 1 17 . 1 1 66 66 GLN N N 66 119.469 119.469 118.546 0.923 25761 8399 1 17 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.154 0.360 25761 8400 1 17 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.524 -2.559 25761 8401 1 17 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.342 0.158 25761 8402 1 17 . 1 1 66 66 GLN H H 66 8.785 8.785 8.982 -0.197 25761 8403 1 17 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.404 -0.283 25761 8404 1 17 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.531 -2.665 25761 8405 1 17 . 1 1 67 67 PRO CB C 67 30.037 30.037 31.938 -1.901 25761 8406 1 17 . 1 1 68 68 VAL N N 68 119.433 119.433 121.492 -2.059 25761 8407 1 17 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.014 -0.055 25761 8408 1 17 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.535 -4.701 25761 8409 1 17 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.018 0.014 25761 8410 1 17 . 1 1 68 68 VAL H H 68 8.464 8.464 7.672 0.792 25761 8411 1 17 . 1 1 69 69 ARG N N 69 127.119 127.119 129.933 -2.814 25761 8412 1 17 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.269 0.067 25761 8413 1 17 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.383 -4.571 25761 8414 1 17 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.579 -2.656 25761 8415 1 17 . 1 1 69 69 ARG H H 69 8.519 8.519 8.894 -0.375 25761 8416 1 17 . 1 1 70 70 SER N N 70 115.574 115.574 113.734 1.840 25761 8417 1 17 . 1 1 70 70 SER HA H 70 4.598 4.598 4.671 -0.073 25761 8418 1 17 . 1 1 70 70 SER CA C 70 54.127 54.127 57.206 -3.079 25761 8419 1 17 . 1 1 70 70 SER CB C 70 62.189 62.189 64.631 -2.442 25761 8420 1 17 . 1 1 70 70 SER H H 70 7.955 7.955 7.885 0.070 25761 8421 1 17 . 1 1 71 71 THR N N 71 114.592 114.592 118.414 -3.822 25761 8422 1 17 . 1 1 71 71 THR HA H 71 5.244 5.244 4.505 0.739 25761 8423 1 17 . 1 1 71 71 THR CA C 71 58.147 58.147 60.838 -2.691 25761 8424 1 17 . 1 1 71 71 THR CB C 71 66.895 66.895 69.126 -2.231 25761 8425 1 17 . 1 1 71 71 THR H H 71 8.285 8.285 8.610 -0.325 25761 8426 1 17 . 1 1 72 72 PHE N N 72 125.101 125.101 122.280 2.821 25761 8427 1 17 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.570 0.371 25761 8428 1 17 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.906 -4.771 25761 8429 1 17 . 1 1 72 72 PHE CB C 72 36.931 36.931 40.454 -3.523 25761 8430 1 17 . 1 1 72 72 PHE H H 72 8.649 8.649 7.471 1.178 25761 8431 1 17 . 1 1 73 73 GLU N N 73 129.014 129.014 126.910 2.104 25761 8432 1 17 . 1 1 73 73 GLU HA H 73 3.551 3.551 3.944 -0.393 25761 8433 1 17 . 1 1 73 73 GLU CA C 73 59.415 59.415 62.141 -2.726 25761 8434 1 17 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.409 5.483 25761 8435 1 17 . 1 1 73 73 GLU H H 73 9.018 9.018 9.115 -0.097 25761 8436 1 17 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.109 -2.012 25761 8437 1 17 . 1 1 75 75 ASP N N 75 116.246 116.246 120.097 -3.851 25761 8438 1 17 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.538 -0.088 25761 8439 1 17 . 1 1 75 75 ASP CA C 75 54.550 54.550 57.175 -2.625 25761 8440 1 17 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.443 -2.701 25761 8441 1 17 . 1 1 75 75 ASP H H 75 7.493 7.493 8.033 -0.540 25761 8442 1 17 . 1 1 76 76 LEU N N 76 121.503 121.503 120.438 1.065 25761 8443 1 17 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.009 -0.023 25761 8444 1 17 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.989 -3.745 25761 8445 1 17 . 1 1 76 76 LEU CB C 76 37.239 37.239 41.992 -4.753 25761 8446 1 17 . 1 1 76 76 LEU H H 76 7.651 7.651 7.966 -0.315 25761 8447 1 17 . 1 1 77 77 ASP N N 77 120.554 120.554 119.522 1.032 25761 8448 1 17 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.213 0.078 25761 8449 1 17 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.803 -3.108 25761 8450 1 17 . 1 1 77 77 ASP CB C 77 37.194 37.194 41.193 -3.999 25761 8451 1 17 . 1 1 77 77 ASP H H 77 8.117 8.117 8.438 -0.321 25761 8452 1 17 . 1 1 78 78 ALA N N 78 121.953 121.953 120.704 1.249 25761 8453 1 17 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.079 0.064 25761 8454 1 17 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.647 -2.277 25761 8455 1 17 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.296 -2.897 25761 8456 1 17 . 1 1 78 78 ALA H H 78 7.904 7.904 7.964 -0.060 25761 8457 1 17 . 1 1 79 79 TYR N N 79 119.746 119.746 120.980 -1.234 25761 8458 1 17 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.006 -0.117 25761 8459 1 17 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.070 -2.685 25761 8460 1 17 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.319 -2.508 25761 8461 1 17 . 1 1 79 79 TYR H H 79 7.422 7.422 7.736 -0.314 25761 8462 1 17 . 1 1 80 80 ALA N N 80 122.107 122.107 118.536 3.571 25761 8463 1 17 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.048 -0.278 25761 8464 1 17 . 1 1 80 80 ALA CA C 80 52.530 52.530 55.289 -2.760 25761 8465 1 17 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.258 -2.880 25761 8466 1 17 . 1 1 80 80 ALA H H 80 8.376 8.376 8.010 0.366 25761 8467 1 17 . 1 1 81 81 GLU N N 81 118.620 118.620 118.002 0.618 25761 8468 1 17 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.086 -0.242 25761 8469 1 17 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.633 -1.920 25761 8470 1 17 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.710 -2.831 25761 8471 1 17 . 1 1 81 81 GLU H H 81 8.149 8.149 7.454 0.695 25761 8472 1 17 . 1 1 82 82 ARG N N 82 120.032 120.032 118.346 1.686 25761 8473 1 17 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.163 -0.415 25761 8474 1 17 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.104 -1.317 25761 8475 1 17 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.316 -5.163 25761 8476 1 17 . 1 1 82 82 ARG H H 82 7.535 7.535 8.332 -0.797 25761 8477 1 17 . 1 1 83 83 ALA N N 83 122.089 122.089 121.967 0.122 25761 8478 1 17 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.941 -0.233 25761 8479 1 17 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.871 -2.546 25761 8480 1 17 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.336 -2.667 25761 8481 1 17 . 1 1 83 83 ALA H H 83 8.467 8.467 8.256 0.211 25761 8482 1 17 . 1 1 84 84 ALA N N 84 118.529 118.529 117.243 1.286 25761 8483 1 17 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.303 -0.061 25761 8484 1 17 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.532 -2.543 25761 8485 1 17 . 1 1 84 84 ALA CB C 84 15.181 15.181 17.606 -2.425 25761 8486 1 17 . 1 1 84 84 ALA H H 84 7.517 7.517 7.796 -0.279 25761 8487 1 17 . 1 1 85 85 ARG N N 85 117.478 117.478 117.446 0.032 25761 8488 1 17 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.369 -0.382 25761 8489 1 17 . 1 1 85 85 ARG CA C 85 55.691 55.691 56.840 -1.149 25761 8490 1 17 . 1 1 85 85 ARG CB C 85 27.586 27.586 32.404 -4.819 25761 8491 1 17 . 1 1 85 85 ARG H H 85 7.278 7.278 7.971 -0.693 25761 8492 1 17 . 1 1 86 86 ILE N N 86 118.079 118.079 118.456 -0.377 25761 8493 1 17 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.195 -0.448 25761 8494 1 17 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.731 -1.200 25761 8495 1 17 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.574 -3.361 25761 8496 1 17 . 1 1 86 86 ILE H H 86 7.286 7.286 7.673 -0.387 25761 8497 1 17 . 1 1 87 87 ASP N N 87 117.833 117.833 122.118 -4.285 25761 8498 1 17 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.719 0.261 25761 8499 1 17 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.303 -6.661 25761 8500 1 17 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.703 -2.527 25761 8501 1 17 . 1 1 87 87 ASP H H 87 7.973 7.973 7.958 0.015 25761 8502 1 17 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.483 0.158 25761 8503 1 17 . 1 1 88 88 PRO CA C 88 60.549 60.549 63.763 -3.214 25761 8504 1 17 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.578 -3.019 25761 8505 1 17 . 1 1 89 89 ASP N N 89 120.189 120.189 119.556 0.633 25761 8506 1 17 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.765 -0.079 25761 8507 1 17 . 1 1 89 89 ASP CB C 89 39.373 39.373 42.265 -2.892 25761 8508 1 17 . 1 1 89 89 ASP H H 89 7.960 7.960 8.420 -0.460 25761 8509 1 17 . 1 1 90 90 ILE N N 90 120.372 120.372 121.427 -1.055 25761 8510 1 17 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.833 -0.278 25761 8511 1 17 . 1 1 90 90 ILE CA C 90 60.022 60.022 58.864 1.159 25761 8512 1 17 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.861 -2.663 25761 8513 1 17 . 1 1 90 90 ILE H H 90 7.234 7.234 8.240 -1.006 25761 8514 1 17 . 1 1 91 91 TRP N N 91 122.596 122.596 128.610 -6.014 25761 8515 1 17 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.935 -0.046 25761 8516 1 17 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.590 -3.923 25761 8517 1 17 . 1 1 91 91 TRP CB C 91 28.630 28.630 30.762 -2.132 25761 8518 1 17 . 1 1 91 91 TRP H H 91 9.295 9.295 9.306 -0.011 25761 8519 1 17 . 1 1 92 92 VAL N N 92 118.958 118.958 124.136 -5.178 25761 8520 1 17 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.331 0.817 25761 8521 1 17 . 1 1 92 92 VAL CA C 92 59.397 59.397 62.182 -2.785 25761 8522 1 17 . 1 1 92 92 VAL CB C 92 31.825 31.825 32.813 -0.988 25761 8523 1 17 . 1 1 92 92 VAL H H 92 9.040 9.040 8.456 0.584 25761 8524 1 17 . 1 1 93 93 VAL N N 93 129.129 129.129 129.284 -0.155 25761 8525 1 17 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.738 0.031 25761 8526 1 17 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.183 -3.868 25761 8527 1 17 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.410 -0.862 25761 8528 1 17 . 1 1 93 93 VAL H H 93 9.201 9.201 9.449 -0.248 25761 8529 1 17 . 1 1 94 94 GLU N N 94 126.192 126.192 127.992 -1.800 25761 8530 1 17 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.737 0.675 25761 8531 1 17 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.516 -2.752 25761 8532 1 17 . 1 1 94 94 GLU CB C 94 29.584 29.584 30.704 -1.120 25761 8533 1 17 . 1 1 94 94 GLU H H 94 9.161 9.161 8.342 0.819 25761 8534 1 17 . 1 1 95 95 ILE N N 95 125.285 125.285 126.105 -0.820 25761 8535 1 17 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.766 0.005 25761 8536 1 17 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.555 -1.236 25761 8537 1 17 . 1 1 95 95 ILE CB C 95 38.475 38.475 38.821 -0.346 25761 8538 1 17 . 1 1 95 95 ILE H H 95 9.347 9.347 9.090 0.257 25761 8539 1 17 . 1 1 96 96 GLU N N 96 128.539 128.539 128.598 -0.059 25761 8540 1 17 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.906 0.249 25761 8541 1 17 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.565 -3.014 25761 8542 1 17 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.893 -1.832 25761 8543 1 17 . 1 1 96 96 GLU H H 96 9.390 9.390 9.103 0.287 25761 8544 1 17 . 1 1 97 97 ASP N N 97 123.516 123.516 125.214 -1.698 25761 8545 1 17 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.997 0.322 25761 8546 1 17 . 1 1 97 97 ASP CA C 97 50.769 50.769 53.723 -2.954 25761 8547 1 17 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.422 2.415 25761 8548 1 17 . 1 1 97 97 ASP H H 97 8.582 8.582 8.882 -0.300 25761 8549 1 17 . 1 1 98 98 ARG N N 98 127.597 127.597 117.377 10.220 25761 8550 1 17 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.383 -0.312 25761 8551 1 17 . 1 1 98 98 ARG CA C 98 56.486 56.486 57.249 -0.763 25761 8552 1 17 . 1 1 98 98 ARG CB C 98 27.570 27.570 31.431 -3.861 25761 8553 1 17 . 1 1 98 98 ARG H H 98 8.914 8.914 8.707 0.207 25761 8554 1 17 . 1 1 99 99 ASP N N 99 115.196 115.196 115.548 -0.352 25761 8555 1 17 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.636 0.342 25761 8556 1 17 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.307 -2.300 25761 8557 1 17 . 1 1 99 99 ASP CB C 99 39.782 39.782 39.983 -0.201 25761 8558 1 17 . 1 1 99 99 ASP H H 99 7.379 7.379 7.759 -0.380 25761 8559 1 17 . 1 1 100 100 GLY N N 100 106.976 106.976 108.543 -1.567 25761 8560 1 17 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.219 -1.586 25761 8561 1 17 . 1 1 100 100 GLY H H 100 7.481 7.481 7.891 -0.410 25761 8562 1 17 . 1 1 101 101 ARG N N 101 120.072 120.072 119.787 0.285 25761 8563 1 17 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.787 -0.345 25761 8564 1 17 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.892 -1.705 25761 8565 1 17 . 1 1 101 101 ARG CB C 101 27.859 27.859 30.862 -3.003 25761 8566 1 17 . 1 1 101 101 ARG H H 101 8.798 8.798 7.885 0.913 25761 8567 1 17 . 1 1 102 102 HIS N N 102 112.990 112.990 112.121 0.869 25761 8568 1 17 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.712 -0.359 25761 8569 1 17 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.910 -4.227 25761 8570 1 17 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.715 -1.191 25761 8571 1 17 . 1 1 102 102 HIS H H 102 5.928 5.928 7.902 -1.974 25761 8572 1 17 . 1 1 103 103 PHE N N 103 106.623 106.623 115.996 -9.373 25761 8573 1 17 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.018 -0.625 25761 8574 1 17 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.162 -1.287 25761 8575 1 17 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.347 -2.996 25761 8576 1 17 . 1 1 103 103 PHE H H 103 6.660 6.660 7.454 -0.794 25761 8577 1 17 . 1 1 104 104 LEU N N 104 123.743 123.743 117.810 5.933 25761 8578 1 17 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.185 0.063 25761 8579 1 17 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.913 -3.063 25761 8580 1 17 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.967 -3.710 25761 8581 1 17 . 1 1 104 104 LEU H H 104 10.737 10.737 7.516 3.221 25761 8582 1 17 . 1 1 105 105 THR N N 105 113.822 113.822 108.809 5.013 25761 8583 1 17 . 1 1 105 105 THR HA H 105 4.313 4.313 4.523 -0.210 25761 8584 1 17 . 1 1 105 105 THR CA C 105 59.658 59.658 61.879 -2.221 25761 8585 1 17 . 1 1 105 105 THR CB C 105 66.210 66.210 69.172 -2.962 25761 8586 1 17 . 1 1 105 105 THR H H 105 9.213 9.213 8.238 0.975 25761 8587 1 17 . 1 1 106 106 GLU N N 106 123.871 123.871 120.715 3.156 25761 8588 1 17 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.759 -0.146 25761 8589 1 17 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.286 -7.151 25761 8590 1 17 . 1 1 106 106 GLU H H 106 7.734 7.734 7.815 -0.081 25761 8591 1 17 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.554 -0.290 25761 8592 1 17 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.696 -1.232 25761 8593 1 17 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.396 -2.593 25761 8594 1 17 . 1 1 108 108 VAL N N 108 120.628 120.628 119.404 1.224 25761 8595 1 17 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.055 -3.247 25761 8596 1 17 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.951 -1.761 25761 8597 1 17 . 1 1 108 108 VAL H H 108 8.137 8.137 8.201 -0.064 25761 8598 1 17 . 1 1 109 109 GLU N N 109 128.850 128.850 127.178 1.672 25761 8599 1 17 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.422 0.017 25761 8600 1 17 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.536 -2.628 25761 8601 1 17 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.319 -2.872 25761 8602 1 17 . 1 1 109 109 GLU H H 109 9.095 9.095 8.987 0.108 25761 8603 1 18 . 1 1 2 2 MET HA H 2 4.380 4.380 5.127 -0.747 25761 8604 1 18 . 1 1 2 2 MET CA C 2 52.819 52.819 54.373 -1.554 25761 8605 1 18 . 1 1 2 2 MET CB C 2 30.830 30.830 35.762 -4.932 25761 8606 1 18 . 1 1 3 3 LEU N N 3 123.960 123.960 123.924 0.036 25761 8607 1 18 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.739 -0.449 25761 8608 1 18 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.502 -1.833 25761 8609 1 18 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.671 -1.743 25761 8610 1 18 . 1 1 3 3 LEU H H 3 8.399 8.399 8.579 -0.180 25761 8611 1 18 . 1 1 4 4 LEU N N 4 123.372 123.372 119.424 3.948 25761 8612 1 18 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.929 -0.472 25761 8613 1 18 . 1 1 4 4 LEU CA C 4 51.647 51.647 53.566 -1.919 25761 8614 1 18 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.707 -1.705 25761 8615 1 18 . 1 1 4 4 LEU H H 4 8.134 8.134 8.086 0.048 25761 8616 1 18 . 1 1 5 5 SER N N 5 117.439 117.439 112.647 4.792 25761 8617 1 18 . 1 1 5 5 SER HA H 5 4.628 4.628 4.266 0.362 25761 8618 1 18 . 1 1 5 5 SER CA C 5 56.192 56.192 56.425 -0.233 25761 8619 1 18 . 1 1 5 5 SER CB C 5 61.291 61.291 65.779 -4.488 25761 8620 1 18 . 1 1 5 5 SER H H 5 8.075 8.075 7.792 0.283 25761 8621 1 18 . 1 1 6 6 THR N N 6 121.297 121.297 118.263 3.034 25761 8622 1 18 . 1 1 6 6 THR HA H 6 3.713 3.713 2.341 1.372 25761 8623 1 18 . 1 1 6 6 THR CA C 6 64.981 64.981 66.584 -1.603 25761 8624 1 18 . 1 1 6 6 THR CB C 6 65.860 65.860 68.051 -2.191 25761 8625 1 18 . 1 1 6 6 THR H H 6 7.681 7.681 8.071 -0.390 25761 8626 1 18 . 1 1 7 7 ASP N N 7 119.550 119.550 120.822 -1.272 25761 8627 1 18 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.405 0.337 25761 8628 1 18 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.768 -1.771 25761 8629 1 18 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.448 -3.656 25761 8630 1 18 . 1 1 7 7 ASP H H 7 9.044 9.044 7.119 1.925 25761 8631 1 18 . 1 1 8 8 ILE N N 8 123.495 123.495 118.949 4.546 25761 8632 1 18 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.708 0.013 25761 8633 1 18 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.317 -2.342 25761 8634 1 18 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.400 -1.273 25761 8635 1 18 . 1 1 8 8 ILE H H 8 7.749 7.749 7.517 0.232 25761 8636 1 18 . 1 1 9 9 TRP N N 9 124.446 124.446 119.246 5.200 25761 8637 1 18 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.300 -0.456 25761 8638 1 18 . 1 1 9 9 TRP CA C 9 60.136 60.136 58.483 1.653 25761 8639 1 18 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.208 -1.233 25761 8640 1 18 . 1 1 9 9 TRP H H 9 8.232 8.232 7.733 0.499 25761 8641 1 18 . 1 1 10 10 VAL N N 10 121.207 121.207 119.793 1.414 25761 8642 1 18 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.576 -0.411 25761 8643 1 18 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.548 -2.313 25761 8644 1 18 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.506 -1.490 25761 8645 1 18 . 1 1 10 10 VAL H H 10 9.240 9.240 7.687 1.553 25761 8646 1 18 . 1 1 11 11 ALA N N 11 120.679 120.679 120.205 0.474 25761 8647 1 18 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.064 -0.215 25761 8648 1 18 . 1 1 11 11 ALA CA C 11 52.479 52.479 54.904 -2.425 25761 8649 1 18 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.314 -3.169 25761 8650 1 18 . 1 1 11 11 ALA H H 11 7.718 7.718 8.469 -0.751 25761 8651 1 18 . 1 1 12 12 ALA N N 12 120.217 120.217 120.774 -0.557 25761 8652 1 18 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.364 -0.459 25761 8653 1 18 . 1 1 12 12 ALA CA C 12 51.996 51.996 53.768 -1.772 25761 8654 1 18 . 1 1 12 12 ALA CB C 12 14.939 14.939 19.010 -4.071 25761 8655 1 18 . 1 1 12 12 ALA H H 12 7.642 7.642 7.454 0.188 25761 8656 1 18 . 1 1 13 13 LEU N N 13 122.821 122.821 122.355 0.466 25761 8657 1 18 . 1 1 13 13 LEU HA H 13 3.545 3.545 3.962 -0.417 25761 8658 1 18 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.024 -2.483 25761 8659 1 18 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.836 -3.387 25761 8660 1 18 . 1 1 13 13 LEU H H 13 7.320 7.320 8.080 -0.760 25761 8661 1 18 . 1 1 14 14 ILE N N 14 117.258 117.258 117.424 -0.166 25761 8662 1 18 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.505 -0.453 25761 8663 1 18 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.727 -2.522 25761 8664 1 18 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.603 -1.826 25761 8665 1 18 . 1 1 14 14 ILE H H 14 8.105 8.105 8.643 -0.538 25761 8666 1 18 . 1 1 15 15 ARG N N 15 117.921 117.921 119.708 -1.787 25761 8667 1 18 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.966 -0.006 25761 8668 1 18 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.404 -3.336 25761 8669 1 18 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.875 -2.573 25761 8670 1 18 . 1 1 15 15 ARG H H 15 7.574 7.574 7.963 -0.389 25761 8671 1 18 . 1 1 16 16 ARG N N 16 118.635 118.635 119.601 -0.966 25761 8672 1 18 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.104 -0.403 25761 8673 1 18 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.541 -0.887 25761 8674 1 18 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.581 -1.450 25761 8675 1 18 . 1 1 16 16 ARG H H 16 7.832 7.832 8.437 -0.605 25761 8676 1 18 . 1 1 17 17 ALA N N 17 122.335 122.335 122.583 -0.248 25761 8677 1 18 . 1 1 17 17 ALA HA H 17 3.052 3.052 1.594 1.458 25761 8678 1 18 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.029 8.331 25761 8679 1 18 . 1 1 17 17 ALA CB C 17 15.553 15.553 17.374 -1.821 25761 8680 1 18 . 1 1 17 17 ALA H H 17 7.856 7.856 8.061 -0.205 25761 8681 1 18 . 1 1 18 18 GLU N N 18 118.223 118.223 118.712 -0.489 25761 8682 1 18 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.227 -0.236 25761 8683 1 18 . 1 1 18 18 GLU CA C 18 56.489 56.489 59.011 -2.522 25761 8684 1 18 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.566 -2.780 25761 8685 1 18 . 1 1 18 18 GLU H H 18 8.303 8.303 7.601 0.702 25761 8686 1 18 . 1 1 19 19 LEU N N 19 122.454 122.454 119.574 2.880 25761 8687 1 18 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.112 -0.108 25761 8688 1 18 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.573 -1.716 25761 8689 1 18 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.460 -2.345 25761 8690 1 18 . 1 1 19 19 LEU H H 19 8.402 8.402 7.973 0.429 25761 8691 1 18 . 1 1 20 20 GLY N N 20 105.446 105.446 105.730 -0.284 25761 8692 1 18 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.408 -2.666 25761 8693 1 18 . 1 1 20 20 GLY H H 20 7.468 7.468 7.784 -0.316 25761 8694 1 18 . 1 1 21 21 GLY N N 21 107.714 107.714 108.298 -0.584 25761 8695 1 18 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.456 -1.829 25761 8696 1 18 . 1 1 21 21 GLY H H 21 7.754 7.754 7.718 0.036 25761 8697 1 18 . 1 1 22 22 ALA N N 22 123.725 123.725 122.423 1.302 25761 8698 1 18 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.609 0.055 25761 8699 1 18 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.860 -3.622 25761 8700 1 18 . 1 1 22 22 ALA CB C 22 19.283 19.283 20.927 -1.645 25761 8701 1 18 . 1 1 22 22 ALA H H 22 8.012 8.012 7.470 0.542 25761 8702 1 18 . 1 1 23 23 PHE N N 23 117.564 117.564 118.849 -1.285 25761 8703 1 18 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.972 -0.133 25761 8704 1 18 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.638 -2.876 25761 8705 1 18 . 1 1 23 23 PHE CB C 23 38.656 38.656 43.356 -4.700 25761 8706 1 18 . 1 1 23 23 PHE H H 23 8.128 8.128 8.163 -0.035 25761 8707 1 18 . 1 1 24 24 ALA N N 24 128.638 128.638 126.558 2.080 25761 8708 1 18 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.374 0.078 25761 8709 1 18 . 1 1 24 24 ALA CA C 24 47.511 47.511 51.658 -4.147 25761 8710 1 18 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.234 -0.856 25761 8711 1 18 . 1 1 24 24 ALA H H 24 8.542 8.542 7.614 0.928 25761 8712 1 18 . 1 1 25 25 THR N N 25 115.207 115.207 113.921 1.286 25761 8713 1 18 . 1 1 25 25 THR HA H 25 4.394 4.394 4.412 -0.018 25761 8714 1 18 . 1 1 25 25 THR CA C 25 57.830 57.830 61.616 -3.786 25761 8715 1 18 . 1 1 25 25 THR CB C 25 69.095 69.095 70.827 -1.732 25761 8716 1 18 . 1 1 25 25 THR H H 25 9.003 9.003 8.412 0.591 25761 8717 1 18 . 1 1 26 26 VAL N N 26 125.712 125.712 123.661 2.051 25761 8718 1 18 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.759 -0.577 25761 8719 1 18 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.353 -0.867 25761 8720 1 18 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.229 -4.681 25761 8721 1 18 . 1 1 26 26 VAL H H 26 8.739 8.739 8.441 0.298 25761 8722 1 18 . 1 1 27 27 ALA N N 27 134.206 134.206 132.694 1.512 25761 8723 1 18 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.429 -0.184 25761 8724 1 18 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.348 -1.606 25761 8725 1 18 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.456 -3.925 25761 8726 1 18 . 1 1 27 27 ALA H H 27 8.412 8.412 9.222 -0.810 25761 8727 1 18 . 1 1 28 28 ARG N N 28 117.751 117.751 119.026 -1.275 25761 8728 1 18 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.473 -0.265 25761 8729 1 18 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.357 -1.699 25761 8730 1 18 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.927 -2.927 25761 8731 1 18 . 1 1 28 28 ARG H H 28 8.090 8.090 7.435 0.655 25761 8732 1 18 . 1 1 29 29 LYS N N 29 128.417 128.417 126.153 2.264 25761 8733 1 18 . 1 1 29 29 LYS HA H 29 3.109 3.109 2.891 0.218 25761 8734 1 18 . 1 1 29 29 LYS CA C 29 52.792 52.792 53.670 -0.878 25761 8735 1 18 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.121 -2.832 25761 8736 1 18 . 1 1 29 29 LYS H H 29 8.536 8.536 8.384 0.152 25761 8737 1 18 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.740 -2.882 25761 8738 1 18 . 1 1 31 31 ASP N N 31 120.477 120.477 121.026 -0.549 25761 8739 1 18 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.575 -0.071 25761 8740 1 18 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.852 -2.215 25761 8741 1 18 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.800 -1.450 25761 8742 1 18 . 1 1 31 31 ASP H H 31 8.445 8.445 8.149 0.296 25761 8743 1 18 . 1 1 32 32 ALA N N 32 133.865 133.865 129.890 3.975 25761 8744 1 18 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.309 0.060 25761 8745 1 18 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.881 -1.594 25761 8746 1 18 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.110 -2.055 25761 8747 1 18 . 1 1 32 32 ALA H H 32 9.236 9.236 8.870 0.366 25761 8748 1 18 . 1 1 33 33 ARG N N 33 113.991 113.991 116.672 -2.681 25761 8749 1 18 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.262 0.152 25761 8750 1 18 . 1 1 33 33 ARG CA C 33 55.785 55.785 57.102 -1.317 25761 8751 1 18 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.042 -2.859 25761 8752 1 18 . 1 1 33 33 ARG H H 33 7.913 7.913 7.949 -0.036 25761 8753 1 18 . 1 1 34 34 ALA N N 34 120.593 120.593 119.789 0.804 25761 8754 1 18 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.437 0.237 25761 8755 1 18 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.902 -3.366 25761 8756 1 18 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.064 -2.250 25761 8757 1 18 . 1 1 34 34 ALA H H 34 8.306 8.306 7.822 0.484 25761 8758 1 18 . 1 1 35 35 GLY N N 35 107.349 107.349 108.790 -1.441 25761 8759 1 18 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.659 -0.209 25761 8760 1 18 . 1 1 35 35 GLY H H 35 7.715 7.715 7.722 -0.007 25761 8761 1 18 . 1 1 36 36 ALA N N 36 127.073 127.073 126.938 0.135 25761 8762 1 18 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.729 -0.371 25761 8763 1 18 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.528 -2.387 25761 8764 1 18 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.269 -3.302 25761 8765 1 18 . 1 1 36 36 ALA H H 36 8.935 8.935 8.234 0.701 25761 8766 1 18 . 1 1 37 37 VAL N N 37 116.903 116.903 117.969 -1.066 25761 8767 1 18 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.228 -0.479 25761 8768 1 18 . 1 1 37 37 VAL CB C 37 33.582 33.582 36.496 -2.914 25761 8769 1 18 . 1 1 37 37 VAL H H 37 7.830 7.830 8.334 -0.504 25761 8770 1 18 . 1 1 38 38 LEU N N 38 126.366 126.366 128.839 -2.473 25761 8771 1 18 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.396 0.135 25761 8772 1 18 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.089 -2.213 25761 8773 1 18 . 1 1 38 38 LEU CB C 38 41.970 41.970 43.242 -1.272 25761 8774 1 18 . 1 1 38 38 LEU H H 38 8.926 8.926 9.099 -0.173 25761 8775 1 18 . 1 1 39 39 VAL N N 39 121.843 121.843 125.247 -3.404 25761 8776 1 18 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.805 0.074 25761 8777 1 18 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.048 -2.705 25761 8778 1 18 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.235 -0.043 25761 8779 1 18 . 1 1 39 39 VAL H H 39 8.819 8.819 8.715 0.104 25761 8780 1 18 . 1 1 40 40 LYS N N 40 129.592 129.592 128.438 1.154 25761 8781 1 18 . 1 1 40 40 LYS HA H 40 5.279 5.279 5.313 -0.034 25761 8782 1 18 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.204 -6.213 25761 8783 1 18 . 1 1 40 40 LYS CB C 40 31.682 31.682 36.702 -5.020 25761 8784 1 18 . 1 1 40 40 LYS H H 40 9.438 9.438 9.175 0.263 25761 8785 1 18 . 1 1 41 41 ALA N N 41 131.659 131.659 126.605 5.054 25761 8786 1 18 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.696 -0.447 25761 8787 1 18 . 1 1 41 41 ALA CA C 41 51.816 51.816 49.967 1.849 25761 8788 1 18 . 1 1 41 41 ALA CB C 41 17.645 17.645 23.260 -5.615 25761 8789 1 18 . 1 1 41 41 ALA H H 41 9.349 9.349 9.260 0.089 25761 8790 1 18 . 1 1 42 42 VAL N N 42 127.668 127.668 121.572 6.096 25761 8791 1 18 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.516 -0.247 25761 8792 1 18 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.325 -1.704 25761 8793 1 18 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.902 -2.024 25761 8794 1 18 . 1 1 42 42 VAL H H 42 9.517 9.517 8.190 1.327 25761 8795 1 18 . 1 1 43 43 ASP N N 43 127.524 127.524 128.315 -0.791 25761 8796 1 18 . 1 1 43 43 ASP HA H 43 4.886 4.886 4.965 -0.079 25761 8797 1 18 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.806 -4.176 25761 8798 1 18 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.947 -2.420 25761 8799 1 18 . 1 1 43 43 ASP H H 43 8.821 8.821 8.291 0.530 25761 8800 1 18 . 1 1 44 44 ARG N N 44 123.676 123.676 126.063 -2.387 25761 8801 1 18 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.071 0.024 25761 8802 1 18 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.948 -3.277 25761 8803 1 18 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.066 -1.972 25761 8804 1 18 . 1 1 44 44 ARG H H 44 8.435 8.435 8.746 -0.311 25761 8805 1 18 . 1 1 45 45 ARG N N 45 120.486 120.486 119.122 1.364 25761 8806 1 18 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.233 -0.102 25761 8807 1 18 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.360 -1.753 25761 8808 1 18 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.484 -2.420 25761 8809 1 18 . 1 1 45 45 ARG H H 45 8.551 8.551 8.249 0.302 25761 8810 1 18 . 1 1 46 46 GLU N N 46 116.189 116.189 117.064 -0.875 25761 8811 1 18 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.290 -0.037 25761 8812 1 18 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.498 -3.060 25761 8813 1 18 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.101 -1.485 25761 8814 1 18 . 1 1 46 46 GLU H H 46 7.918 7.918 8.499 -0.581 25761 8815 1 18 . 1 1 47 47 GLY N N 47 108.218 108.218 108.770 -0.552 25761 8816 1 18 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.891 -1.921 25761 8817 1 18 . 1 1 47 47 GLY H H 47 8.159 8.159 8.348 -0.189 25761 8818 1 18 . 1 1 48 48 THR N N 48 109.683 109.683 111.179 -1.496 25761 8819 1 18 . 1 1 48 48 THR HA H 48 4.639 4.639 4.516 0.123 25761 8820 1 18 . 1 1 48 48 THR CA C 48 57.215 57.215 60.407 -3.192 25761 8821 1 18 . 1 1 48 48 THR CB C 48 69.275 69.275 70.900 -1.625 25761 8822 1 18 . 1 1 48 48 THR H H 48 7.485 7.485 7.460 0.025 25761 8823 1 18 . 1 1 49 49 ALA N N 49 122.571 122.571 121.849 0.722 25761 8824 1 18 . 1 1 49 49 ALA HA H 49 5.156 5.156 5.033 0.123 25761 8825 1 18 . 1 1 49 49 ALA CA C 49 48.011 48.011 50.892 -2.881 25761 8826 1 18 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.337 -1.333 25761 8827 1 18 . 1 1 49 49 ALA H H 49 8.530 8.530 8.452 0.078 25761 8828 1 18 . 1 1 50 50 ARG N N 50 115.654 115.654 118.030 -2.376 25761 8829 1 18 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.638 0.002 25761 8830 1 18 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.361 -2.855 25761 8831 1 18 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.870 -1.038 25761 8832 1 18 . 1 1 50 50 ARG H H 50 8.168 8.168 8.878 -0.710 25761 8833 1 18 . 1 1 51 51 LEU N N 51 122.400 122.400 122.586 -0.186 25761 8834 1 18 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.697 0.577 25761 8835 1 18 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.211 -3.835 25761 8836 1 18 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.743 -0.584 25761 8837 1 18 . 1 1 51 51 LEU H H 51 8.213 8.213 8.044 0.169 25761 8838 1 18 . 1 1 52 52 PHE N N 52 124.579 124.579 123.648 0.931 25761 8839 1 18 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.581 -0.031 25761 8840 1 18 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.844 -2.171 25761 8841 1 18 . 1 1 52 52 PHE CB C 52 40.619 40.619 43.037 -2.418 25761 8842 1 18 . 1 1 52 52 PHE H H 52 9.546 9.546 9.433 0.113 25761 8843 1 18 . 1 1 53 53 SER N N 53 115.953 115.953 115.089 0.864 25761 8844 1 18 . 1 1 53 53 SER HA H 53 5.267 5.267 5.694 -0.427 25761 8845 1 18 . 1 1 53 53 SER CA C 53 53.513 53.513 55.992 -2.479 25761 8846 1 18 . 1 1 53 53 SER CB C 53 64.255 64.255 66.182 -1.927 25761 8847 1 18 . 1 1 53 53 SER H H 53 9.727 9.727 9.203 0.524 25761 8848 1 18 . 1 1 54 54 GLU N N 54 124.987 124.987 124.209 0.778 25761 8849 1 18 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.163 -0.555 25761 8850 1 18 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.517 -2.200 25761 8851 1 18 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.090 2.587 25761 8852 1 18 . 1 1 54 54 GLU H H 54 8.431 8.431 8.060 0.371 25761 8853 1 18 . 1 1 55 55 ALA N N 55 127.789 127.789 122.429 5.360 25761 8854 1 18 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.361 -0.101 25761 8855 1 18 . 1 1 55 55 ALA CA C 55 48.005 48.005 50.835 -2.830 25761 8856 1 18 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.198 -1.516 25761 8857 1 18 . 1 1 55 55 ALA H H 55 8.430 8.430 7.766 0.664 25761 8858 1 18 . 1 1 56 56 THR N N 56 111.341 111.341 112.510 -1.169 25761 8859 1 18 . 1 1 56 56 THR HA H 56 5.038 5.038 5.048 -0.010 25761 8860 1 18 . 1 1 56 56 THR CA C 56 58.078 58.078 61.059 -2.981 25761 8861 1 18 . 1 1 56 56 THR CB C 56 68.505 68.505 71.469 -2.964 25761 8862 1 18 . 1 1 56 56 THR H H 56 7.923 7.923 7.986 -0.063 25761 8863 1 18 . 1 1 57 57 ARG N N 57 124.295 124.295 123.689 0.606 25761 8864 1 18 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.578 0.009 25761 8865 1 18 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.838 -3.513 25761 8866 1 18 . 1 1 57 57 ARG CB C 57 29.667 29.667 31.045 -1.378 25761 8867 1 18 . 1 1 57 57 ARG H H 57 9.054 9.054 9.058 -0.004 25761 8868 1 18 . 1 1 58 58 GLY N N 58 109.220 109.220 108.635 0.585 25761 8869 1 18 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.417 -1.821 25761 8870 1 18 . 1 1 58 58 GLY H H 58 8.706 8.706 8.717 -0.011 25761 8871 1 18 . 1 1 59 59 ASP N N 59 120.555 120.555 120.700 -0.145 25761 8872 1 18 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.693 -0.107 25761 8873 1 18 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.105 -2.736 25761 8874 1 18 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.716 -3.319 25761 8875 1 18 . 1 1 59 59 ASP H H 59 8.194 8.194 7.684 0.510 25761 8876 1 18 . 1 1 60 60 GLY N N 60 107.833 107.833 107.943 -0.110 25761 8877 1 18 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.288 -2.375 25761 8878 1 18 . 1 1 60 60 GLY H H 60 7.999 7.999 8.031 -0.032 25761 8879 1 18 . 1 1 61 61 GLU N N 61 121.205 121.205 120.356 0.849 25761 8880 1 18 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.298 -0.112 25761 8881 1 18 . 1 1 61 61 GLU CA C 61 53.994 53.994 56.095 -2.101 25761 8882 1 18 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.256 -2.325 25761 8883 1 18 . 1 1 61 61 GLU H H 61 7.910 7.910 7.969 -0.059 25761 8884 1 18 . 1 1 62 62 ARG N N 62 125.261 125.261 128.140 -2.879 25761 8885 1 18 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.652 0.160 25761 8886 1 18 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.968 -4.081 25761 8887 1 18 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.523 -2.605 25761 8888 1 18 . 1 1 62 62 ARG H H 62 8.219 8.219 8.447 -0.228 25761 8889 1 18 . 1 1 63 63 PHE N N 63 120.777 120.777 117.394 3.383 25761 8890 1 18 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.766 0.113 25761 8891 1 18 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.781 -2.981 25761 8892 1 18 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.023 -0.860 25761 8893 1 18 . 1 1 63 63 PHE H H 63 8.431 8.431 7.900 0.531 25761 8894 1 18 . 1 1 64 64 TRP N N 64 119.550 119.550 120.202 -0.652 25761 8895 1 18 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.209 -0.183 25761 8896 1 18 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.889 -2.700 25761 8897 1 18 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.964 -1.081 25761 8898 1 18 . 1 1 64 64 TRP H H 64 8.914 8.914 8.141 0.773 25761 8899 1 18 . 1 1 65 65 MET N N 65 118.324 118.324 121.806 -3.482 25761 8900 1 18 . 1 1 65 65 MET HA H 65 5.156 5.156 5.233 -0.077 25761 8901 1 18 . 1 1 65 65 MET CA C 65 50.438 50.438 54.133 -3.695 25761 8902 1 18 . 1 1 65 65 MET CB C 65 32.296 32.296 35.324 -3.028 25761 8903 1 18 . 1 1 65 65 MET H H 65 9.282 9.282 8.926 0.356 25761 8904 1 18 . 1 1 66 66 GLN N N 66 119.469 119.469 118.297 1.172 25761 8905 1 18 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.901 0.613 25761 8906 1 18 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.571 -2.606 25761 8907 1 18 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.578 -0.078 25761 8908 1 18 . 1 1 66 66 GLN H H 66 8.785 8.785 8.608 0.177 25761 8909 1 18 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.317 -0.196 25761 8910 1 18 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.461 -2.595 25761 8911 1 18 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.017 -1.980 25761 8912 1 18 . 1 1 68 68 VAL N N 68 119.433 119.433 121.711 -2.278 25761 8913 1 18 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.090 -0.131 25761 8914 1 18 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.101 -4.267 25761 8915 1 18 . 1 1 68 68 VAL CB C 68 31.032 31.032 31.762 -0.730 25761 8916 1 18 . 1 1 68 68 VAL H H 68 8.464 8.464 7.697 0.767 25761 8917 1 18 . 1 1 69 69 ARG N N 69 127.119 127.119 129.348 -2.229 25761 8918 1 18 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.326 0.010 25761 8919 1 18 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.018 -4.206 25761 8920 1 18 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.420 -2.497 25761 8921 1 18 . 1 1 69 69 ARG H H 69 8.519 8.519 8.910 -0.391 25761 8922 1 18 . 1 1 70 70 SER N N 70 115.574 115.574 113.632 1.942 25761 8923 1 18 . 1 1 70 70 SER HA H 70 4.598 4.598 4.585 0.013 25761 8924 1 18 . 1 1 70 70 SER CA C 70 54.127 54.127 57.467 -3.340 25761 8925 1 18 . 1 1 70 70 SER CB C 70 62.189 62.189 64.093 -1.904 25761 8926 1 18 . 1 1 70 70 SER H H 70 7.955 7.955 7.705 0.250 25761 8927 1 18 . 1 1 71 71 THR N N 71 114.592 114.592 116.165 -1.573 25761 8928 1 18 . 1 1 71 71 THR HA H 71 5.244 5.244 4.571 0.673 25761 8929 1 18 . 1 1 71 71 THR CA C 71 58.147 58.147 61.285 -3.138 25761 8930 1 18 . 1 1 71 71 THR CB C 71 66.895 66.895 69.309 -2.414 25761 8931 1 18 . 1 1 71 71 THR H H 71 8.285 8.285 8.355 -0.070 25761 8932 1 18 . 1 1 72 72 PHE N N 72 125.101 125.101 123.022 2.079 25761 8933 1 18 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.387 0.554 25761 8934 1 18 . 1 1 72 72 PHE CA C 72 53.135 53.135 58.210 -5.075 25761 8935 1 18 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.408 -2.477 25761 8936 1 18 . 1 1 72 72 PHE H H 72 8.649 8.649 7.539 1.110 25761 8937 1 18 . 1 1 73 73 GLU N N 73 129.014 129.014 125.439 3.575 25761 8938 1 18 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.065 -0.514 25761 8939 1 18 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.553 -2.138 25761 8940 1 18 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.992 5.899 25761 8941 1 18 . 1 1 73 73 GLU H H 73 9.018 9.018 9.183 -0.165 25761 8942 1 18 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.119 -2.022 25761 8943 1 18 . 1 1 75 75 ASP N N 75 116.246 116.246 119.727 -3.481 25761 8944 1 18 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.556 -0.106 25761 8945 1 18 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.502 -1.952 25761 8946 1 18 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.654 -2.913 25761 8947 1 18 . 1 1 75 75 ASP H H 75 7.493 7.493 7.953 -0.460 25761 8948 1 18 . 1 1 76 76 LEU N N 76 121.503 121.503 120.117 1.386 25761 8949 1 18 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.102 -0.116 25761 8950 1 18 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.006 -3.762 25761 8951 1 18 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.216 -4.977 25761 8952 1 18 . 1 1 76 76 LEU H H 76 7.651 7.651 7.792 -0.141 25761 8953 1 18 . 1 1 77 77 ASP N N 77 120.554 120.554 119.465 1.089 25761 8954 1 18 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.274 0.017 25761 8955 1 18 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.413 -2.717 25761 8956 1 18 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.903 -3.709 25761 8957 1 18 . 1 1 77 77 ASP H H 77 8.117 8.117 8.648 -0.531 25761 8958 1 18 . 1 1 78 78 ALA N N 78 121.953 121.953 120.856 1.097 25761 8959 1 18 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.070 0.073 25761 8960 1 18 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.374 -2.004 25761 8961 1 18 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.331 -2.932 25761 8962 1 18 . 1 1 78 78 ALA H H 78 7.904 7.904 7.552 0.352 25761 8963 1 18 . 1 1 79 79 TYR N N 79 119.746 119.746 120.502 -0.756 25761 8964 1 18 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.059 -0.170 25761 8965 1 18 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.504 -3.119 25761 8966 1 18 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.366 -2.555 25761 8967 1 18 . 1 1 79 79 TYR H H 79 7.422 7.422 8.494 -1.072 25761 8968 1 18 . 1 1 80 80 ALA N N 80 122.107 122.107 118.935 3.172 25761 8969 1 18 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.132 -0.362 25761 8970 1 18 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.515 -1.985 25761 8971 1 18 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.148 -2.771 25761 8972 1 18 . 1 1 80 80 ALA H H 80 8.376 8.376 8.061 0.315 25761 8973 1 18 . 1 1 81 81 GLU N N 81 118.620 118.620 118.448 0.172 25761 8974 1 18 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.135 -0.291 25761 8975 1 18 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.584 -1.871 25761 8976 1 18 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.745 -2.866 25761 8977 1 18 . 1 1 81 81 GLU H H 81 8.149 8.149 7.561 0.588 25761 8978 1 18 . 1 1 82 82 ARG N N 82 120.032 120.032 119.346 0.686 25761 8979 1 18 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.013 -0.265 25761 8980 1 18 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.821 -2.034 25761 8981 1 18 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.405 -5.252 25761 8982 1 18 . 1 1 82 82 ARG H H 82 7.535 7.535 7.992 -0.457 25761 8983 1 18 . 1 1 83 83 ALA N N 83 122.089 122.089 121.142 0.947 25761 8984 1 18 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.901 -0.193 25761 8985 1 18 . 1 1 83 83 ALA CA C 83 52.325 52.325 55.048 -2.723 25761 8986 1 18 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.180 -2.511 25761 8987 1 18 . 1 1 83 83 ALA H H 83 8.467 8.467 8.289 0.178 25761 8988 1 18 . 1 1 84 84 ALA N N 84 118.529 118.529 119.047 -0.518 25761 8989 1 18 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.387 -0.145 25761 8990 1 18 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.454 -3.465 25761 8991 1 18 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.541 -3.360 25761 8992 1 18 . 1 1 84 84 ALA H H 84 7.517 7.517 8.169 -0.652 25761 8993 1 18 . 1 1 85 85 ARG N N 85 117.478 117.478 116.836 0.642 25761 8994 1 18 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.295 -0.308 25761 8995 1 18 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.752 -2.061 25761 8996 1 18 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.555 -2.969 25761 8997 1 18 . 1 1 85 85 ARG H H 85 7.278 7.278 8.056 -0.778 25761 8998 1 18 . 1 1 86 86 ILE N N 86 118.079 118.079 118.822 -0.743 25761 8999 1 18 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.229 -0.482 25761 9000 1 18 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.970 -1.439 25761 9001 1 18 . 1 1 86 86 ILE CB C 86 36.213 36.213 40.022 -3.809 25761 9002 1 18 . 1 1 86 86 ILE H H 86 7.286 7.286 7.822 -0.536 25761 9003 1 18 . 1 1 87 87 ASP N N 87 117.833 117.833 121.904 -4.071 25761 9004 1 18 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.142 -0.162 25761 9005 1 18 . 1 1 87 87 ASP CA C 87 47.642 47.642 51.950 -4.308 25761 9006 1 18 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.841 -2.665 25761 9007 1 18 . 1 1 87 87 ASP H H 87 7.973 7.973 8.138 -0.165 25761 9008 1 18 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.340 0.301 25761 9009 1 18 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.132 -3.583 25761 9010 1 18 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.031 -2.472 25761 9011 1 18 . 1 1 89 89 ASP N N 89 120.189 120.189 118.004 2.185 25761 9012 1 18 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.716 -0.030 25761 9013 1 18 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.987 -1.614 25761 9014 1 18 . 1 1 89 89 ASP H H 89 7.960 7.960 8.443 -0.483 25761 9015 1 18 . 1 1 90 90 ILE N N 90 120.372 120.372 121.202 -0.830 25761 9016 1 18 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.397 0.158 25761 9017 1 18 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.746 -0.724 25761 9018 1 18 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.813 -1.615 25761 9019 1 18 . 1 1 90 90 ILE H H 90 7.234 7.234 7.359 -0.125 25761 9020 1 18 . 1 1 91 91 TRP N N 91 122.596 122.596 125.324 -2.728 25761 9021 1 18 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.907 -0.018 25761 9022 1 18 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.316 -3.649 25761 9023 1 18 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.946 -3.316 25761 9024 1 18 . 1 1 91 91 TRP H H 91 9.295 9.295 9.044 0.251 25761 9025 1 18 . 1 1 92 92 VAL N N 92 118.958 118.958 121.251 -2.293 25761 9026 1 18 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.943 0.205 25761 9027 1 18 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.989 -2.592 25761 9028 1 18 . 1 1 92 92 VAL CB C 92 31.825 31.825 35.059 -3.234 25761 9029 1 18 . 1 1 92 92 VAL H H 92 9.040 9.040 8.470 0.570 25761 9030 1 18 . 1 1 93 93 VAL N N 93 129.129 129.129 127.920 1.209 25761 9031 1 18 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.845 -0.076 25761 9032 1 18 . 1 1 93 93 VAL CA C 93 57.315 57.315 60.992 -3.677 25761 9033 1 18 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.029 -0.481 25761 9034 1 18 . 1 1 93 93 VAL H H 93 9.201 9.201 9.296 -0.095 25761 9035 1 18 . 1 1 94 94 GLU N N 94 126.192 126.192 127.132 -0.940 25761 9036 1 18 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.017 0.395 25761 9037 1 18 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.557 -2.793 25761 9038 1 18 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.521 -1.938 25761 9039 1 18 . 1 1 94 94 GLU H H 94 9.161 9.161 8.343 0.818 25761 9040 1 18 . 1 1 95 95 ILE N N 95 125.285 125.285 126.010 -0.725 25761 9041 1 18 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.691 0.080 25761 9042 1 18 . 1 1 95 95 ILE CA C 95 57.319 57.319 60.142 -2.823 25761 9043 1 18 . 1 1 95 95 ILE CB C 95 38.475 38.475 40.776 -2.301 25761 9044 1 18 . 1 1 95 95 ILE H H 95 9.347 9.347 8.822 0.525 25761 9045 1 18 . 1 1 96 96 GLU N N 96 128.539 128.539 127.217 1.322 25761 9046 1 18 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.834 0.321 25761 9047 1 18 . 1 1 96 96 GLU CA C 96 52.551 52.551 54.938 -2.387 25761 9048 1 18 . 1 1 96 96 GLU CB C 96 29.061 29.061 31.796 -2.735 25761 9049 1 18 . 1 1 96 96 GLU H H 96 9.390 9.390 9.044 0.346 25761 9050 1 18 . 1 1 97 97 ASP N N 97 123.516 123.516 123.154 0.362 25761 9051 1 18 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.105 0.214 25761 9052 1 18 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.856 -2.087 25761 9053 1 18 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.333 1.504 25761 9054 1 18 . 1 1 97 97 ASP H H 97 8.582 8.582 8.063 0.519 25761 9055 1 18 . 1 1 98 98 ARG N N 98 127.597 127.597 121.996 5.601 25761 9056 1 18 . 1 1 98 98 ARG HA H 98 4.071 4.071 3.950 0.121 25761 9057 1 18 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.123 -2.637 25761 9058 1 18 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.236 -2.666 25761 9059 1 18 . 1 1 98 98 ARG H H 98 8.914 8.914 8.729 0.185 25761 9060 1 18 . 1 1 99 99 ASP N N 99 115.196 115.196 118.018 -2.822 25761 9061 1 18 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.809 0.169 25761 9062 1 18 . 1 1 99 99 ASP CA C 99 51.008 51.008 52.838 -1.830 25761 9063 1 18 . 1 1 99 99 ASP CB C 99 39.782 39.782 41.185 -1.403 25761 9064 1 18 . 1 1 99 99 ASP H H 99 7.379 7.379 8.669 -1.290 25761 9065 1 18 . 1 1 100 100 GLY N N 100 106.976 106.976 107.855 -0.879 25761 9066 1 18 . 1 1 100 100 GLY CA C 100 44.633 44.633 46.194 -1.562 25761 9067 1 18 . 1 1 100 100 GLY H H 100 7.481 7.481 7.724 -0.243 25761 9068 1 18 . 1 1 101 101 ARG N N 101 120.072 120.072 118.026 2.046 25761 9069 1 18 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.915 -0.473 25761 9070 1 18 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.625 -1.438 25761 9071 1 18 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.602 -3.743 25761 9072 1 18 . 1 1 101 101 ARG H H 101 8.798 8.798 7.373 1.425 25761 9073 1 18 . 1 1 102 102 HIS N N 102 112.990 112.990 116.864 -3.874 25761 9074 1 18 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.673 -0.320 25761 9075 1 18 . 1 1 102 102 HIS CA C 102 51.683 51.683 54.605 -2.922 25761 9076 1 18 . 1 1 102 102 HIS CB C 102 29.524 29.524 29.764 -0.240 25761 9077 1 18 . 1 1 102 102 HIS H H 102 5.928 5.928 7.612 -1.684 25761 9078 1 18 . 1 1 103 103 PHE N N 103 106.623 106.623 115.089 -8.466 25761 9079 1 18 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.062 -0.669 25761 9080 1 18 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.358 -1.483 25761 9081 1 18 . 1 1 103 103 PHE CB C 103 33.351 33.351 37.002 -3.651 25761 9082 1 18 . 1 1 103 103 PHE H H 103 6.660 6.660 7.620 -0.960 25761 9083 1 18 . 1 1 104 104 LEU N N 104 123.743 123.743 119.611 4.132 25761 9084 1 18 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.269 -0.021 25761 9085 1 18 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.076 -2.226 25761 9086 1 18 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.725 -3.468 25761 9087 1 18 . 1 1 104 104 LEU H H 104 10.737 10.737 7.611 3.126 25761 9088 1 18 . 1 1 105 105 THR N N 105 113.822 113.822 116.676 -2.854 25761 9089 1 18 . 1 1 105 105 THR HA H 105 4.313 4.313 4.181 0.132 25761 9090 1 18 . 1 1 105 105 THR CA C 105 59.658 59.658 63.330 -3.672 25761 9091 1 18 . 1 1 105 105 THR CB C 105 66.210 66.210 69.364 -3.154 25761 9092 1 18 . 1 1 105 105 THR H H 105 9.213 9.213 8.350 0.863 25761 9093 1 18 . 1 1 106 106 GLU N N 106 123.871 123.871 121.268 2.603 25761 9094 1 18 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.515 0.098 25761 9095 1 18 . 1 1 106 106 GLU CB C 106 24.135 24.135 29.367 -5.232 25761 9096 1 18 . 1 1 106 106 GLU H H 106 7.734 7.734 8.017 -0.283 25761 9097 1 18 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.406 -0.142 25761 9098 1 18 . 1 1 107 107 PRO CA C 107 61.464 61.464 63.042 -1.578 25761 9099 1 18 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.273 -2.470 25761 9100 1 18 . 1 1 108 108 VAL N N 108 120.628 120.628 119.208 1.420 25761 9101 1 18 . 1 1 108 108 VAL CA C 108 57.808 57.808 61.084 -3.276 25761 9102 1 18 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.405 -2.215 25761 9103 1 18 . 1 1 108 108 VAL H H 108 8.137 8.137 8.277 -0.140 25761 9104 1 18 . 1 1 109 109 GLU N N 109 128.850 128.850 127.139 1.711 25761 9105 1 18 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.446 -0.007 25761 9106 1 18 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.030 -2.122 25761 9107 1 18 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.413 -2.966 25761 9108 1 18 . 1 1 109 109 GLU H H 109 9.095 9.095 9.039 0.056 25761 9109 1 19 . 1 1 2 2 MET HA H 2 4.380 4.380 4.612 -0.232 25761 9110 1 19 . 1 1 2 2 MET CA C 2 52.819 52.819 54.957 -2.138 25761 9111 1 19 . 1 1 2 2 MET CB C 2 30.830 30.830 32.995 -2.165 25761 9112 1 19 . 1 1 3 3 LEU N N 3 123.960 123.960 123.608 0.352 25761 9113 1 19 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.642 -0.352 25761 9114 1 19 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.419 -1.749 25761 9115 1 19 . 1 1 3 3 LEU CB C 3 39.928 39.928 41.999 -2.071 25761 9116 1 19 . 1 1 3 3 LEU H H 3 8.399 8.399 8.434 -0.035 25761 9117 1 19 . 1 1 4 4 LEU N N 4 123.372 123.372 121.505 1.867 25761 9118 1 19 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.411 0.046 25761 9119 1 19 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.617 -2.970 25761 9120 1 19 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.688 -1.686 25761 9121 1 19 . 1 1 4 4 LEU H H 4 8.134 8.134 7.992 0.142 25761 9122 1 19 . 1 1 5 5 SER N N 5 117.439 117.439 112.407 5.032 25761 9123 1 19 . 1 1 5 5 SER HA H 5 4.628 4.628 4.513 0.115 25761 9124 1 19 . 1 1 5 5 SER CA C 5 56.192 56.192 56.587 -0.395 25761 9125 1 19 . 1 1 5 5 SER CB C 5 61.291 61.291 65.468 -4.177 25761 9126 1 19 . 1 1 5 5 SER H H 5 8.075 8.075 7.555 0.520 25761 9127 1 19 . 1 1 6 6 THR N N 6 121.297 121.297 118.945 2.352 25761 9128 1 19 . 1 1 6 6 THR HA H 6 3.713 3.713 3.814 -0.101 25761 9129 1 19 . 1 1 6 6 THR CA C 6 64.981 64.981 67.230 -2.249 25761 9130 1 19 . 1 1 6 6 THR CB C 6 65.860 65.860 68.668 -2.808 25761 9131 1 19 . 1 1 6 6 THR H H 6 7.681 7.681 8.074 -0.393 25761 9132 1 19 . 1 1 7 7 ASP N N 7 119.550 119.550 120.676 -1.126 25761 9133 1 19 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.797 -0.055 25761 9134 1 19 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.688 -1.691 25761 9135 1 19 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.470 -3.678 25761 9136 1 19 . 1 1 7 7 ASP H H 7 9.044 9.044 7.562 1.482 25761 9137 1 19 . 1 1 8 8 ILE N N 8 123.495 123.495 118.706 4.789 25761 9138 1 19 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.725 -0.004 25761 9139 1 19 . 1 1 8 8 ILE CA C 8 60.975 60.975 64.376 -3.401 25761 9140 1 19 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.632 -1.505 25761 9141 1 19 . 1 1 8 8 ILE H H 8 7.749 7.749 7.815 -0.066 25761 9142 1 19 . 1 1 9 9 TRP N N 9 124.446 124.446 119.589 4.857 25761 9143 1 19 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.417 -0.573 25761 9144 1 19 . 1 1 9 9 TRP CA C 9 60.136 60.136 59.947 0.189 25761 9145 1 19 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.404 -1.429 25761 9146 1 19 . 1 1 9 9 TRP H H 9 8.232 8.232 7.169 1.063 25761 9147 1 19 . 1 1 10 10 VAL N N 10 121.207 121.207 121.057 0.150 25761 9148 1 19 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.589 -0.424 25761 9149 1 19 . 1 1 10 10 VAL CA C 10 64.235 64.235 67.084 -2.849 25761 9150 1 19 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.945 -1.929 25761 9151 1 19 . 1 1 10 10 VAL H H 10 9.240 9.240 7.871 1.369 25761 9152 1 19 . 1 1 11 11 ALA N N 11 120.679 120.679 120.577 0.102 25761 9153 1 19 . 1 1 11 11 ALA HA H 11 3.849 3.849 4.017 -0.168 25761 9154 1 19 . 1 1 11 11 ALA CA C 11 52.479 52.479 54.754 -2.275 25761 9155 1 19 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.184 -3.039 25761 9156 1 19 . 1 1 11 11 ALA H H 11 7.718 7.718 8.441 -0.723 25761 9157 1 19 . 1 1 12 12 ALA N N 12 120.217 120.217 122.437 -2.220 25761 9158 1 19 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.189 -0.284 25761 9159 1 19 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.386 -2.390 25761 9160 1 19 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.449 -3.510 25761 9161 1 19 . 1 1 12 12 ALA H H 12 7.642 7.642 7.282 0.360 25761 9162 1 19 . 1 1 13 13 LEU N N 13 122.821 122.821 121.740 1.081 25761 9163 1 19 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.030 -0.485 25761 9164 1 19 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.904 -2.363 25761 9165 1 19 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.863 -3.414 25761 9166 1 19 . 1 1 13 13 LEU H H 13 7.320 7.320 8.503 -1.183 25761 9167 1 19 . 1 1 14 14 ILE N N 14 117.258 117.258 118.297 -1.039 25761 9168 1 19 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.550 -0.498 25761 9169 1 19 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.579 -2.374 25761 9170 1 19 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.356 -1.579 25761 9171 1 19 . 1 1 14 14 ILE H H 14 8.105 8.105 8.545 -0.440 25761 9172 1 19 . 1 1 15 15 ARG N N 15 117.921 117.921 119.700 -1.779 25761 9173 1 19 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.937 0.023 25761 9174 1 19 . 1 1 15 15 ARG CA C 15 56.068 56.068 60.029 -3.961 25761 9175 1 19 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.914 -2.612 25761 9176 1 19 . 1 1 15 15 ARG H H 15 7.574 7.574 7.747 -0.173 25761 9177 1 19 . 1 1 16 16 ARG N N 16 118.635 118.635 118.186 0.449 25761 9178 1 19 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.038 -0.337 25761 9179 1 19 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.521 -0.867 25761 9180 1 19 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.615 -1.484 25761 9181 1 19 . 1 1 16 16 ARG H H 16 7.832 7.832 8.147 -0.315 25761 9182 1 19 . 1 1 17 17 ALA N N 17 122.335 122.335 122.654 -0.319 25761 9183 1 19 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.298 0.754 25761 9184 1 19 . 1 1 17 17 ALA CA C 17 62.360 62.360 53.968 8.392 25761 9185 1 19 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.752 -3.199 25761 9186 1 19 . 1 1 17 17 ALA H H 17 7.856 7.856 8.048 -0.192 25761 9187 1 19 . 1 1 18 18 GLU N N 18 118.223 118.223 120.067 -1.844 25761 9188 1 19 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.185 -0.194 25761 9189 1 19 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.855 -2.366 25761 9190 1 19 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.527 -2.741 25761 9191 1 19 . 1 1 18 18 GLU H H 18 8.303 8.303 8.037 0.266 25761 9192 1 19 . 1 1 19 19 LEU N N 19 122.454 122.454 120.228 2.226 25761 9193 1 19 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.093 -0.089 25761 9194 1 19 . 1 1 19 19 LEU CA C 19 54.857 54.857 57.053 -2.196 25761 9195 1 19 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.975 -2.860 25761 9196 1 19 . 1 1 19 19 LEU H H 19 8.402 8.402 8.232 0.170 25761 9197 1 19 . 1 1 20 20 GLY N N 20 105.446 105.446 104.406 1.040 25761 9198 1 19 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.758 -2.015 25761 9199 1 19 . 1 1 20 20 GLY H H 20 7.468 7.468 7.406 0.062 25761 9200 1 19 . 1 1 21 21 GLY N N 21 107.714 107.714 109.252 -1.538 25761 9201 1 19 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.824 -2.197 25761 9202 1 19 . 1 1 21 21 GLY H H 21 7.754 7.754 7.699 0.055 25761 9203 1 19 . 1 1 22 22 ALA N N 22 123.725 123.725 121.289 2.436 25761 9204 1 19 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.668 -0.004 25761 9205 1 19 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.005 -2.767 25761 9206 1 19 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.149 -1.866 25761 9207 1 19 . 1 1 22 22 ALA H H 22 8.012 8.012 7.574 0.438 25761 9208 1 19 . 1 1 23 23 PHE N N 23 117.564 117.564 121.126 -3.562 25761 9209 1 19 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.766 0.073 25761 9210 1 19 . 1 1 23 23 PHE CA C 23 53.762 53.762 56.269 -2.506 25761 9211 1 19 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.868 -2.212 25761 9212 1 19 . 1 1 23 23 PHE H H 23 8.128 8.128 8.749 -0.621 25761 9213 1 19 . 1 1 24 24 ALA N N 24 128.638 128.638 130.583 -1.945 25761 9214 1 19 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.491 -0.039 25761 9215 1 19 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.328 -2.817 25761 9216 1 19 . 1 1 24 24 ALA CB C 24 21.378 21.378 21.653 -0.275 25761 9217 1 19 . 1 1 24 24 ALA H H 24 8.542 8.542 8.080 0.462 25761 9218 1 19 . 1 1 25 25 THR N N 25 115.207 115.207 115.484 -0.277 25761 9219 1 19 . 1 1 25 25 THR HA H 25 4.394 4.394 4.597 -0.203 25761 9220 1 19 . 1 1 25 25 THR CA C 25 57.830 57.830 60.919 -3.089 25761 9221 1 19 . 1 1 25 25 THR CB C 25 69.095 69.095 71.916 -2.821 25761 9222 1 19 . 1 1 25 25 THR H H 25 9.003 9.003 8.501 0.502 25761 9223 1 19 . 1 1 26 26 VAL N N 26 125.712 125.712 123.498 2.214 25761 9224 1 19 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.776 -0.594 25761 9225 1 19 . 1 1 26 26 VAL CA C 26 60.486 60.486 60.537 -0.051 25761 9226 1 19 . 1 1 26 26 VAL CB C 26 28.548 28.548 33.983 -5.435 25761 9227 1 19 . 1 1 26 26 VAL H H 26 8.739 8.739 8.506 0.233 25761 9228 1 19 . 1 1 27 27 ALA N N 27 134.206 134.206 131.410 2.796 25761 9229 1 19 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.552 -0.307 25761 9230 1 19 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.013 -1.270 25761 9231 1 19 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.993 -4.462 25761 9232 1 19 . 1 1 27 27 ALA H H 27 8.412 8.412 8.943 -0.531 25761 9233 1 19 . 1 1 28 28 ARG N N 28 117.751 117.751 119.990 -2.239 25761 9234 1 19 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.455 -0.247 25761 9235 1 19 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.829 -2.171 25761 9236 1 19 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.350 -2.350 25761 9237 1 19 . 1 1 28 28 ARG H H 28 8.090 8.090 7.567 0.523 25761 9238 1 19 . 1 1 29 29 LYS N N 29 128.417 128.417 126.632 1.785 25761 9239 1 19 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.159 -0.050 25761 9240 1 19 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.099 -1.307 25761 9241 1 19 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.001 -2.712 25761 9242 1 19 . 1 1 29 29 LYS H H 29 8.536 8.536 8.375 0.161 25761 9243 1 19 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.668 -2.810 25761 9244 1 19 . 1 1 31 31 ASP N N 31 120.477 120.477 121.202 -0.725 25761 9245 1 19 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.540 -0.036 25761 9246 1 19 . 1 1 31 31 ASP CA C 31 52.637 52.637 55.665 -3.028 25761 9247 1 19 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.933 -1.583 25761 9248 1 19 . 1 1 31 31 ASP H H 31 8.445 8.445 8.094 0.351 25761 9249 1 19 . 1 1 32 32 ALA N N 32 133.865 133.865 129.879 3.986 25761 9250 1 19 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.447 -0.078 25761 9251 1 19 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.999 -1.712 25761 9252 1 19 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.213 -2.158 25761 9253 1 19 . 1 1 32 32 ALA H H 32 9.236 9.236 8.983 0.253 25761 9254 1 19 . 1 1 33 33 ARG N N 33 113.991 113.991 118.668 -4.677 25761 9255 1 19 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.174 0.240 25761 9256 1 19 . 1 1 33 33 ARG CA C 33 55.785 55.785 59.116 -3.331 25761 9257 1 19 . 1 1 33 33 ARG CB C 33 28.183 28.183 30.905 -2.723 25761 9258 1 19 . 1 1 33 33 ARG H H 33 7.913 7.913 8.522 -0.609 25761 9259 1 19 . 1 1 34 34 ALA N N 34 120.593 120.593 117.726 2.867 25761 9260 1 19 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.549 0.125 25761 9261 1 19 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.961 -2.425 25761 9262 1 19 . 1 1 34 34 ALA CB C 34 17.814 17.814 20.011 -2.197 25761 9263 1 19 . 1 1 34 34 ALA H H 34 8.306 8.306 7.818 0.488 25761 9264 1 19 . 1 1 35 35 GLY N N 35 107.349 107.349 109.056 -1.707 25761 9265 1 19 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.823 -0.373 25761 9266 1 19 . 1 1 35 35 GLY H H 35 7.715 7.715 7.907 -0.192 25761 9267 1 19 . 1 1 36 36 ALA N N 36 127.073 127.073 125.974 1.099 25761 9268 1 19 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.879 -0.521 25761 9269 1 19 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.330 -2.189 25761 9270 1 19 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.506 -3.539 25761 9271 1 19 . 1 1 36 36 ALA H H 36 8.935 8.935 8.197 0.738 25761 9272 1 19 . 1 1 37 37 VAL N N 37 116.903 116.903 118.862 -1.959 25761 9273 1 19 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.462 0.287 25761 9274 1 19 . 1 1 37 37 VAL CB C 37 33.582 33.582 34.706 -1.124 25761 9275 1 19 . 1 1 37 37 VAL H H 37 7.830 7.830 8.275 -0.445 25761 9276 1 19 . 1 1 38 38 LEU N N 38 126.366 126.366 126.960 -0.594 25761 9277 1 19 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.431 0.100 25761 9278 1 19 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.773 -2.898 25761 9279 1 19 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.304 -2.334 25761 9280 1 19 . 1 1 38 38 LEU H H 38 8.926 8.926 8.271 0.655 25761 9281 1 19 . 1 1 39 39 VAL N N 39 121.843 121.843 124.168 -2.325 25761 9282 1 19 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.688 0.191 25761 9283 1 19 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.154 -2.811 25761 9284 1 19 . 1 1 39 39 VAL CB C 39 32.192 32.192 31.791 0.401 25761 9285 1 19 . 1 1 39 39 VAL H H 39 8.819 8.819 9.308 -0.489 25761 9286 1 19 . 1 1 40 40 LYS N N 40 129.592 129.592 128.255 1.337 25761 9287 1 19 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.649 0.630 25761 9288 1 19 . 1 1 40 40 LYS CA C 40 47.991 47.991 55.462 -7.471 25761 9289 1 19 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.725 -3.043 25761 9290 1 19 . 1 1 40 40 LYS H H 40 9.438 9.438 8.796 0.642 25761 9291 1 19 . 1 1 41 41 ALA N N 41 131.659 131.659 129.748 1.911 25761 9292 1 19 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.314 -0.065 25761 9293 1 19 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.726 1.090 25761 9294 1 19 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.748 -4.103 25761 9295 1 19 . 1 1 41 41 ALA H H 41 9.349 9.349 8.882 0.467 25761 9296 1 19 . 1 1 42 42 VAL N N 42 127.668 127.668 123.180 4.488 25761 9297 1 19 . 1 1 42 42 VAL HA H 42 4.269 4.269 3.917 0.352 25761 9298 1 19 . 1 1 42 42 VAL CA C 42 59.621 59.621 63.098 -3.477 25761 9299 1 19 . 1 1 42 42 VAL CB C 42 31.878 31.878 33.558 -1.680 25761 9300 1 19 . 1 1 42 42 VAL H H 42 9.517 9.517 8.609 0.908 25761 9301 1 19 . 1 1 43 43 ASP N N 43 127.524 127.524 124.660 2.864 25761 9302 1 19 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.235 -0.349 25761 9303 1 19 . 1 1 43 43 ASP CA C 43 49.630 49.630 52.597 -2.967 25761 9304 1 19 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.316 -2.789 25761 9305 1 19 . 1 1 43 43 ASP H H 43 8.821 8.821 8.635 0.186 25761 9306 1 19 . 1 1 44 44 ARG N N 44 123.676 123.676 123.441 0.235 25761 9307 1 19 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.226 -0.132 25761 9308 1 19 . 1 1 44 44 ARG CA C 44 54.671 54.671 56.945 -2.274 25761 9309 1 19 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.758 -1.664 25761 9310 1 19 . 1 1 44 44 ARG H H 44 8.435 8.435 8.115 0.320 25761 9311 1 19 . 1 1 45 45 ARG N N 45 120.486 120.486 118.666 1.820 25761 9312 1 19 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.386 -0.255 25761 9313 1 19 . 1 1 45 45 ARG CA C 45 56.607 56.607 57.786 -1.179 25761 9314 1 19 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.496 -2.432 25761 9315 1 19 . 1 1 45 45 ARG H H 45 8.551 8.551 8.178 0.373 25761 9316 1 19 . 1 1 46 46 GLU N N 46 116.189 116.189 117.720 -1.531 25761 9317 1 19 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.428 -0.175 25761 9318 1 19 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.208 -2.770 25761 9319 1 19 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.481 -1.865 25761 9320 1 19 . 1 1 46 46 GLU H H 46 7.918 7.918 8.454 -0.536 25761 9321 1 19 . 1 1 47 47 GLY N N 47 108.218 108.218 110.135 -1.917 25761 9322 1 19 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.839 -1.869 25761 9323 1 19 . 1 1 47 47 GLY H H 47 8.159 8.159 8.197 -0.038 25761 9324 1 19 . 1 1 48 48 THR N N 48 109.683 109.683 109.416 0.267 25761 9325 1 19 . 1 1 48 48 THR HA H 48 4.639 4.639 4.698 -0.059 25761 9326 1 19 . 1 1 48 48 THR CA C 48 57.215 57.215 59.427 -2.212 25761 9327 1 19 . 1 1 48 48 THR CB C 48 69.275 69.275 71.878 -2.603 25761 9328 1 19 . 1 1 48 48 THR H H 48 7.485 7.485 7.766 -0.281 25761 9329 1 19 . 1 1 49 49 ALA N N 49 122.571 122.571 121.676 0.895 25761 9330 1 19 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.833 0.323 25761 9331 1 19 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.269 -3.258 25761 9332 1 19 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.216 -1.212 25761 9333 1 19 . 1 1 49 49 ALA H H 49 8.530 8.530 8.420 0.110 25761 9334 1 19 . 1 1 50 50 ARG N N 50 115.654 115.654 118.312 -2.658 25761 9335 1 19 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.621 0.019 25761 9336 1 19 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.100 -2.594 25761 9337 1 19 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.190 -0.358 25761 9338 1 19 . 1 1 50 50 ARG H H 50 8.168 8.168 8.520 -0.352 25761 9339 1 19 . 1 1 51 51 LEU N N 51 122.400 122.400 122.709 -0.309 25761 9340 1 19 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.386 0.888 25761 9341 1 19 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.896 -3.520 25761 9342 1 19 . 1 1 51 51 LEU CB C 51 44.159 44.159 44.928 -0.769 25761 9343 1 19 . 1 1 51 51 LEU H H 51 8.213 8.213 8.241 -0.028 25761 9344 1 19 . 1 1 52 52 PHE N N 52 124.579 124.579 123.466 1.113 25761 9345 1 19 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.563 -0.013 25761 9346 1 19 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.465 -1.791 25761 9347 1 19 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.208 -1.589 25761 9348 1 19 . 1 1 52 52 PHE H H 52 9.546 9.546 8.454 1.092 25761 9349 1 19 . 1 1 53 53 SER N N 53 115.953 115.953 117.923 -1.970 25761 9350 1 19 . 1 1 53 53 SER HA H 53 5.267 5.267 5.442 -0.175 25761 9351 1 19 . 1 1 53 53 SER CA C 53 53.513 53.513 57.407 -3.893 25761 9352 1 19 . 1 1 53 53 SER CB C 53 64.255 64.255 66.103 -1.848 25761 9353 1 19 . 1 1 53 53 SER H H 53 9.727 9.727 9.036 0.691 25761 9354 1 19 . 1 1 54 54 GLU N N 54 124.987 124.987 125.409 -0.422 25761 9355 1 19 . 1 1 54 54 GLU HA H 54 3.608 3.608 3.604 0.004 25761 9356 1 19 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.718 -2.401 25761 9357 1 19 . 1 1 54 54 GLU CB C 54 32.677 32.677 29.330 3.347 25761 9358 1 19 . 1 1 54 54 GLU H H 54 8.431 8.431 8.020 0.411 25761 9359 1 19 . 1 1 55 55 ALA N N 55 127.789 127.789 125.393 2.396 25761 9360 1 19 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.390 -0.130 25761 9361 1 19 . 1 1 55 55 ALA CA C 55 48.005 48.005 50.633 -2.628 25761 9362 1 19 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.190 -1.508 25761 9363 1 19 . 1 1 55 55 ALA H H 55 8.430 8.430 7.979 0.451 25761 9364 1 19 . 1 1 56 56 THR N N 56 111.341 111.341 111.735 -0.394 25761 9365 1 19 . 1 1 56 56 THR HA H 56 5.038 5.038 4.636 0.402 25761 9366 1 19 . 1 1 56 56 THR CA C 56 58.078 58.078 60.982 -2.904 25761 9367 1 19 . 1 1 56 56 THR CB C 56 68.505 68.505 71.514 -3.009 25761 9368 1 19 . 1 1 56 56 THR H H 56 7.923 7.923 7.948 -0.025 25761 9369 1 19 . 1 1 57 57 ARG N N 57 124.295 124.295 125.569 -1.274 25761 9370 1 19 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.546 0.041 25761 9371 1 19 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.993 -3.668 25761 9372 1 19 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.449 -0.782 25761 9373 1 19 . 1 1 57 57 ARG H H 57 9.054 9.054 8.331 0.723 25761 9374 1 19 . 1 1 58 58 GLY N N 58 109.220 109.220 108.210 1.010 25761 9375 1 19 . 1 1 58 58 GLY CA C 58 44.596 44.596 45.718 -1.122 25761 9376 1 19 . 1 1 58 58 GLY H H 58 8.706 8.706 8.467 0.239 25761 9377 1 19 . 1 1 59 59 ASP N N 59 120.555 120.555 119.579 0.976 25761 9378 1 19 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.768 -0.182 25761 9379 1 19 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.099 -2.730 25761 9380 1 19 . 1 1 59 59 ASP CB C 59 37.397 37.397 41.318 -3.921 25761 9381 1 19 . 1 1 59 59 ASP H H 59 8.194 8.194 7.822 0.372 25761 9382 1 19 . 1 1 60 60 GLY N N 60 107.833 107.833 108.953 -1.120 25761 9383 1 19 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.388 -2.475 25761 9384 1 19 . 1 1 60 60 GLY H H 60 7.999 7.999 8.101 -0.102 25761 9385 1 19 . 1 1 61 61 GLU N N 61 121.205 121.205 119.593 1.612 25761 9386 1 19 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.319 -0.133 25761 9387 1 19 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.345 -1.351 25761 9388 1 19 . 1 1 61 61 GLU CB C 61 27.931 27.931 29.155 -1.224 25761 9389 1 19 . 1 1 61 61 GLU H H 61 7.910 7.910 8.681 -0.771 25761 9390 1 19 . 1 1 62 62 ARG N N 62 125.261 125.261 125.441 -0.180 25761 9391 1 19 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.752 0.060 25761 9392 1 19 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.975 -4.088 25761 9393 1 19 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.439 -2.521 25761 9394 1 19 . 1 1 62 62 ARG H H 62 8.219 8.219 7.691 0.528 25761 9395 1 19 . 1 1 63 63 PHE N N 63 120.777 120.777 117.796 2.981 25761 9396 1 19 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.798 0.081 25761 9397 1 19 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.659 -2.859 25761 9398 1 19 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.928 -1.765 25761 9399 1 19 . 1 1 63 63 PHE H H 63 8.431 8.431 8.161 0.270 25761 9400 1 19 . 1 1 64 64 TRP N N 64 119.550 119.550 120.061 -0.511 25761 9401 1 19 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.245 -0.219 25761 9402 1 19 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.795 -2.606 25761 9403 1 19 . 1 1 64 64 TRP CB C 64 29.883 29.883 31.143 -1.260 25761 9404 1 19 . 1 1 64 64 TRP H H 64 8.914 8.914 8.042 0.872 25761 9405 1 19 . 1 1 65 65 MET N N 65 118.324 118.324 121.123 -2.799 25761 9406 1 19 . 1 1 65 65 MET HA H 65 5.156 5.156 5.235 -0.079 25761 9407 1 19 . 1 1 65 65 MET CA C 65 50.438 50.438 53.943 -3.505 25761 9408 1 19 . 1 1 65 65 MET CB C 65 32.296 32.296 35.447 -3.151 25761 9409 1 19 . 1 1 65 65 MET H H 65 9.282 9.282 8.912 0.370 25761 9410 1 19 . 1 1 66 66 GLN N N 66 119.469 119.469 118.739 0.730 25761 9411 1 19 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.138 0.376 25761 9412 1 19 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.424 -2.459 25761 9413 1 19 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.015 0.485 25761 9414 1 19 . 1 1 66 66 GLN H H 66 8.785 8.785 8.975 -0.190 25761 9415 1 19 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.332 -0.211 25761 9416 1 19 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.328 -2.462 25761 9417 1 19 . 1 1 67 67 PRO CB C 67 30.037 30.037 31.923 -1.886 25761 9418 1 19 . 1 1 68 68 VAL N N 68 119.433 119.433 120.536 -1.103 25761 9419 1 19 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.063 -0.104 25761 9420 1 19 . 1 1 68 68 VAL CA C 68 57.834 57.834 62.069 -4.235 25761 9421 1 19 . 1 1 68 68 VAL CB C 68 31.032 31.032 30.824 0.208 25761 9422 1 19 . 1 1 68 68 VAL H H 68 8.464 8.464 7.686 0.778 25761 9423 1 19 . 1 1 69 69 ARG N N 69 127.119 127.119 129.232 -2.113 25761 9424 1 19 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.280 0.056 25761 9425 1 19 . 1 1 69 69 ARG CA C 69 51.812 51.812 56.253 -4.441 25761 9426 1 19 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.789 -2.866 25761 9427 1 19 . 1 1 69 69 ARG H H 69 8.519 8.519 8.947 -0.428 25761 9428 1 19 . 1 1 70 70 SER N N 70 115.574 115.574 113.035 2.539 25761 9429 1 19 . 1 1 70 70 SER HA H 70 4.598 4.598 4.639 -0.041 25761 9430 1 19 . 1 1 70 70 SER CA C 70 54.127 54.127 56.904 -2.777 25761 9431 1 19 . 1 1 70 70 SER CB C 70 62.189 62.189 64.171 -1.982 25761 9432 1 19 . 1 1 70 70 SER H H 70 7.955 7.955 7.693 0.262 25761 9433 1 19 . 1 1 71 71 THR N N 71 114.592 114.592 113.253 1.339 25761 9434 1 19 . 1 1 71 71 THR HA H 71 5.244 5.244 4.650 0.594 25761 9435 1 19 . 1 1 71 71 THR CA C 71 58.147 58.147 61.431 -3.284 25761 9436 1 19 . 1 1 71 71 THR CB C 71 66.895 66.895 69.454 -2.559 25761 9437 1 19 . 1 1 71 71 THR H H 71 8.285 8.285 8.240 0.045 25761 9438 1 19 . 1 1 72 72 PHE N N 72 125.101 125.101 123.941 1.160 25761 9439 1 19 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.371 0.570 25761 9440 1 19 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.935 -4.800 25761 9441 1 19 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.440 -2.509 25761 9442 1 19 . 1 1 72 72 PHE H H 72 8.649 8.649 7.529 1.120 25761 9443 1 19 . 1 1 73 73 GLU N N 73 129.014 129.014 124.572 4.442 25761 9444 1 19 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.017 -0.466 25761 9445 1 19 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.969 -2.554 25761 9446 1 19 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.096 5.796 25761 9447 1 19 . 1 1 73 73 GLU H H 73 9.018 9.018 9.200 -0.182 25761 9448 1 19 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.165 -2.068 25761 9449 1 19 . 1 1 75 75 ASP N N 75 116.246 116.246 121.325 -5.079 25761 9450 1 19 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.598 -0.148 25761 9451 1 19 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.799 -2.249 25761 9452 1 19 . 1 1 75 75 ASP CB C 75 37.741 37.741 40.769 -3.028 25761 9453 1 19 . 1 1 75 75 ASP H H 75 7.493 7.493 7.946 -0.453 25761 9454 1 19 . 1 1 76 76 LEU N N 76 121.503 121.503 121.346 0.157 25761 9455 1 19 . 1 1 76 76 LEU HA H 76 3.986 3.986 3.931 0.055 25761 9456 1 19 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.428 -4.184 25761 9457 1 19 . 1 1 76 76 LEU CB C 76 37.239 37.239 41.891 -4.652 25761 9458 1 19 . 1 1 76 76 LEU H H 76 7.651 7.651 8.393 -0.742 25761 9459 1 19 . 1 1 77 77 ASP N N 77 120.554 120.554 118.170 2.384 25761 9460 1 19 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.362 -0.071 25761 9461 1 19 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.409 -2.714 25761 9462 1 19 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.321 -3.127 25761 9463 1 19 . 1 1 77 77 ASP H H 77 8.117 8.117 8.780 -0.663 25761 9464 1 19 . 1 1 78 78 ALA N N 78 121.953 121.953 121.998 -0.045 25761 9465 1 19 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.305 -0.162 25761 9466 1 19 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.471 -2.101 25761 9467 1 19 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.227 -2.828 25761 9468 1 19 . 1 1 78 78 ALA H H 78 7.904 7.904 7.560 0.344 25761 9469 1 19 . 1 1 79 79 TYR N N 79 119.746 119.746 120.290 -0.544 25761 9470 1 19 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.040 -0.151 25761 9471 1 19 . 1 1 79 79 TYR CA C 79 59.385 59.385 62.299 -2.914 25761 9472 1 19 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.239 -2.428 25761 9473 1 19 . 1 1 79 79 TYR H H 79 7.422 7.422 8.344 -0.922 25761 9474 1 19 . 1 1 80 80 ALA N N 80 122.107 122.107 119.077 3.030 25761 9475 1 19 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.062 -0.292 25761 9476 1 19 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.757 -2.227 25761 9477 1 19 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.198 -2.820 25761 9478 1 19 . 1 1 80 80 ALA H H 80 8.376 8.376 8.106 0.270 25761 9479 1 19 . 1 1 81 81 GLU N N 81 118.620 118.620 118.322 0.298 25761 9480 1 19 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.079 -0.235 25761 9481 1 19 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.039 -2.326 25761 9482 1 19 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.665 -2.786 25761 9483 1 19 . 1 1 81 81 GLU H H 81 8.149 8.149 7.524 0.625 25761 9484 1 19 . 1 1 82 82 ARG N N 82 120.032 120.032 118.614 1.418 25761 9485 1 19 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.153 -0.405 25761 9486 1 19 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.172 -1.385 25761 9487 1 19 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.758 -5.605 25761 9488 1 19 . 1 1 82 82 ARG H H 82 7.535 7.535 7.856 -0.321 25761 9489 1 19 . 1 1 83 83 ALA N N 83 122.089 122.089 121.684 0.405 25761 9490 1 19 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.953 -0.245 25761 9491 1 19 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.873 -2.549 25761 9492 1 19 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.515 -2.846 25761 9493 1 19 . 1 1 83 83 ALA H H 83 8.467 8.467 8.222 0.245 25761 9494 1 19 . 1 1 84 84 ALA N N 84 118.529 118.529 117.361 1.168 25761 9495 1 19 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.229 0.013 25761 9496 1 19 . 1 1 84 84 ALA CA C 84 49.989 49.989 52.262 -2.273 25761 9497 1 19 . 1 1 84 84 ALA CB C 84 15.181 15.181 17.770 -2.589 25761 9498 1 19 . 1 1 84 84 ALA H H 84 7.517 7.517 7.708 -0.191 25761 9499 1 19 . 1 1 85 85 ARG N N 85 117.478 117.478 116.827 0.651 25761 9500 1 19 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.377 -0.390 25761 9501 1 19 . 1 1 85 85 ARG CA C 85 55.691 55.691 56.890 -1.199 25761 9502 1 19 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.719 -4.133 25761 9503 1 19 . 1 1 85 85 ARG H H 85 7.278 7.278 7.725 -0.447 25761 9504 1 19 . 1 1 86 86 ILE N N 86 118.079 118.079 118.763 -0.684 25761 9505 1 19 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.227 -0.480 25761 9506 1 19 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.634 -1.103 25761 9507 1 19 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.879 -3.666 25761 9508 1 19 . 1 1 86 86 ILE H H 86 7.286 7.286 7.733 -0.447 25761 9509 1 19 . 1 1 87 87 ASP N N 87 117.833 117.833 122.269 -4.436 25761 9510 1 19 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.734 0.246 25761 9511 1 19 . 1 1 87 87 ASP CA C 87 47.642 47.642 54.310 -6.668 25761 9512 1 19 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.354 -2.178 25761 9513 1 19 . 1 1 87 87 ASP H H 87 7.973 7.973 8.025 -0.052 25761 9514 1 19 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.361 0.280 25761 9515 1 19 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.017 -3.468 25761 9516 1 19 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.490 -2.931 25761 9517 1 19 . 1 1 89 89 ASP N N 89 120.189 120.189 117.756 2.433 25761 9518 1 19 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.758 -0.072 25761 9519 1 19 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.450 -2.077 25761 9520 1 19 . 1 1 89 89 ASP H H 89 7.960 7.960 8.066 -0.106 25761 9521 1 19 . 1 1 90 90 ILE N N 90 120.372 120.372 122.479 -2.107 25761 9522 1 19 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.831 -0.276 25761 9523 1 19 . 1 1 90 90 ILE CA C 90 60.022 60.022 59.585 0.437 25761 9524 1 19 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.622 -2.424 25761 9525 1 19 . 1 1 90 90 ILE H H 90 7.234 7.234 8.413 -1.179 25761 9526 1 19 . 1 1 91 91 TRP N N 91 122.596 122.596 127.552 -4.956 25761 9527 1 19 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.064 -0.175 25761 9528 1 19 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.672 -4.005 25761 9529 1 19 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.082 -2.452 25761 9530 1 19 . 1 1 91 91 TRP H H 91 9.295 9.295 9.234 0.061 25761 9531 1 19 . 1 1 92 92 VAL N N 92 118.958 118.958 120.184 -1.226 25761 9532 1 19 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.396 0.752 25761 9533 1 19 . 1 1 92 92 VAL CA C 92 59.397 59.397 62.117 -2.720 25761 9534 1 19 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.953 -2.128 25761 9535 1 19 . 1 1 92 92 VAL H H 92 9.040 9.040 8.353 0.687 25761 9536 1 19 . 1 1 93 93 VAL N N 93 129.129 129.129 128.070 1.059 25761 9537 1 19 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.837 -0.068 25761 9538 1 19 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.040 -3.725 25761 9539 1 19 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.485 -0.937 25761 9540 1 19 . 1 1 93 93 VAL H H 93 9.201 9.201 8.962 0.239 25761 9541 1 19 . 1 1 94 94 GLU N N 94 126.192 126.192 127.767 -1.575 25761 9542 1 19 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.828 0.584 25761 9543 1 19 . 1 1 94 94 GLU CA C 94 51.764 51.764 55.573 -3.809 25761 9544 1 19 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.209 -1.625 25761 9545 1 19 . 1 1 94 94 GLU H H 94 9.161 9.161 8.435 0.726 25761 9546 1 19 . 1 1 95 95 ILE N N 95 125.285 125.285 126.707 -1.422 25761 9547 1 19 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.400 0.371 25761 9548 1 19 . 1 1 95 95 ILE CA C 95 57.319 57.319 58.509 -1.190 25761 9549 1 19 . 1 1 95 95 ILE CB C 95 38.475 38.475 36.912 1.563 25761 9550 1 19 . 1 1 95 95 ILE H H 95 9.347 9.347 9.011 0.336 25761 9551 1 19 . 1 1 96 96 GLU N N 96 128.539 128.539 129.627 -1.088 25761 9552 1 19 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.473 0.682 25761 9553 1 19 . 1 1 96 96 GLU CA C 96 52.551 52.551 56.022 -3.471 25761 9554 1 19 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.322 -1.261 25761 9555 1 19 . 1 1 96 96 GLU H H 96 9.390 9.390 8.788 0.602 25761 9556 1 19 . 1 1 97 97 ASP N N 97 123.516 123.516 125.076 -1.560 25761 9557 1 19 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.034 0.285 25761 9558 1 19 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.083 -1.314 25761 9559 1 19 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.238 1.599 25761 9560 1 19 . 1 1 97 97 ASP H H 97 8.582 8.582 8.136 0.446 25761 9561 1 19 . 1 1 98 98 ARG N N 98 127.597 127.597 122.721 4.876 25761 9562 1 19 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.073 -0.002 25761 9563 1 19 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.505 -3.019 25761 9564 1 19 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.521 -2.951 25761 9565 1 19 . 1 1 98 98 ARG H H 98 8.914 8.914 8.857 0.057 25761 9566 1 19 . 1 1 99 99 ASP N N 99 115.196 115.196 117.759 -2.563 25761 9567 1 19 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.621 0.357 25761 9568 1 19 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.891 -2.883 25761 9569 1 19 . 1 1 99 99 ASP CB C 99 39.782 39.782 39.431 0.351 25761 9570 1 19 . 1 1 99 99 ASP H H 99 7.379 7.379 8.491 -1.112 25761 9571 1 19 . 1 1 100 100 GLY N N 100 106.976 106.976 107.288 -0.312 25761 9572 1 19 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.567 -0.934 25761 9573 1 19 . 1 1 100 100 GLY H H 100 7.481 7.481 7.498 -0.017 25761 9574 1 19 . 1 1 101 101 ARG N N 101 120.072 120.072 118.404 1.668 25761 9575 1 19 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.910 -0.468 25761 9576 1 19 . 1 1 101 101 ARG CA C 101 54.187 54.187 56.585 -2.398 25761 9577 1 19 . 1 1 101 101 ARG CB C 101 27.859 27.859 30.762 -2.903 25761 9578 1 19 . 1 1 101 101 ARG H H 101 8.798 8.798 7.900 0.898 25761 9579 1 19 . 1 1 102 102 HIS N N 102 112.990 112.990 116.374 -3.384 25761 9580 1 19 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.630 -0.277 25761 9581 1 19 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.186 -3.503 25761 9582 1 19 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.653 -1.129 25761 9583 1 19 . 1 1 102 102 HIS H H 102 5.928 5.928 7.634 -1.706 25761 9584 1 19 . 1 1 103 103 PHE N N 103 106.623 106.623 116.512 -9.889 25761 9585 1 19 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.042 -0.649 25761 9586 1 19 . 1 1 103 103 PHE CA C 103 57.875 57.875 58.861 -0.986 25761 9587 1 19 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.259 -2.908 25761 9588 1 19 . 1 1 103 103 PHE H H 103 6.660 6.660 7.413 -0.753 25761 9589 1 19 . 1 1 104 104 LEU N N 104 123.743 123.743 120.158 3.585 25761 9590 1 19 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.472 -0.224 25761 9591 1 19 . 1 1 104 104 LEU CA C 104 52.850 52.850 54.265 -1.415 25761 9592 1 19 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.032 -3.775 25761 9593 1 19 . 1 1 104 104 LEU H H 104 10.737 10.737 7.451 3.286 25761 9594 1 19 . 1 1 105 105 THR N N 105 113.822 113.822 117.659 -3.837 25761 9595 1 19 . 1 1 105 105 THR HA H 105 4.313 4.313 4.283 0.030 25761 9596 1 19 . 1 1 105 105 THR CA C 105 59.658 59.658 63.114 -3.456 25761 9597 1 19 . 1 1 105 105 THR CB C 105 66.210 66.210 69.337 -3.127 25761 9598 1 19 . 1 1 105 105 THR H H 105 9.213 9.213 8.580 0.633 25761 9599 1 19 . 1 1 106 106 GLU N N 106 123.871 123.871 121.852 2.019 25761 9600 1 19 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.687 -0.074 25761 9601 1 19 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.062 -5.927 25761 9602 1 19 . 1 1 106 106 GLU H H 106 7.734 7.734 8.137 -0.403 25761 9603 1 19 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.473 -0.209 25761 9604 1 19 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.664 -1.200 25761 9605 1 19 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.466 -2.663 25761 9606 1 19 . 1 1 108 108 VAL N N 108 120.628 120.628 117.706 2.922 25761 9607 1 19 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.560 -2.752 25761 9608 1 19 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.159 -1.969 25761 9609 1 19 . 1 1 108 108 VAL H H 108 8.137 8.137 8.318 -0.181 25761 9610 1 19 . 1 1 109 109 GLU N N 109 128.850 128.850 127.153 1.697 25761 9611 1 19 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.442 -0.003 25761 9612 1 19 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.772 -2.864 25761 9613 1 19 . 1 1 109 109 GLU CB C 109 28.447 28.447 30.838 -2.391 25761 9614 1 19 . 1 1 109 109 GLU H H 109 9.095 9.095 8.906 0.189 25761 9615 1 20 . 1 1 2 2 MET HA H 2 4.380 4.380 4.497 -0.117 25761 9616 1 20 . 1 1 2 2 MET CA C 2 52.819 52.819 55.294 -2.475 25761 9617 1 20 . 1 1 2 2 MET CB C 2 30.830 30.830 33.127 -2.297 25761 9618 1 20 . 1 1 3 3 LEU N N 3 123.960 123.960 124.101 -0.141 25761 9619 1 20 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.665 -0.375 25761 9620 1 20 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.716 -2.046 25761 9621 1 20 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.296 -2.368 25761 9622 1 20 . 1 1 3 3 LEU H H 3 8.399 8.399 8.281 0.118 25761 9623 1 20 . 1 1 4 4 LEU N N 4 123.372 123.372 124.404 -1.032 25761 9624 1 20 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.424 0.033 25761 9625 1 20 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.482 -2.835 25761 9626 1 20 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.857 -1.855 25761 9627 1 20 . 1 1 4 4 LEU H H 4 8.134 8.134 8.155 -0.021 25761 9628 1 20 . 1 1 5 5 SER N N 5 117.439 117.439 113.121 4.318 25761 9629 1 20 . 1 1 5 5 SER HA H 5 4.628 4.628 4.566 0.062 25761 9630 1 20 . 1 1 5 5 SER CA C 5 56.192 56.192 56.711 -0.519 25761 9631 1 20 . 1 1 5 5 SER CB C 5 61.291 61.291 65.938 -4.647 25761 9632 1 20 . 1 1 5 5 SER H H 5 8.075 8.075 7.627 0.448 25761 9633 1 20 . 1 1 6 6 THR N N 6 121.297 121.297 118.971 2.326 25761 9634 1 20 . 1 1 6 6 THR HA H 6 3.713 3.713 3.849 -0.136 25761 9635 1 20 . 1 1 6 6 THR CA C 6 64.981 64.981 66.855 -1.873 25761 9636 1 20 . 1 1 6 6 THR CB C 6 65.860 65.860 68.263 -2.402 25761 9637 1 20 . 1 1 6 6 THR H H 6 7.681 7.681 8.320 -0.639 25761 9638 1 20 . 1 1 7 7 ASP N N 7 119.550 119.550 120.278 -0.728 25761 9639 1 20 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.756 -0.014 25761 9640 1 20 . 1 1 7 7 ASP CA C 7 54.997 54.997 57.005 -2.008 25761 9641 1 20 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.543 -3.751 25761 9642 1 20 . 1 1 7 7 ASP H H 7 9.044 9.044 7.766 1.278 25761 9643 1 20 . 1 1 8 8 ILE N N 8 123.495 123.495 120.444 3.051 25761 9644 1 20 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.697 0.024 25761 9645 1 20 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.170 -2.196 25761 9646 1 20 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.532 -1.405 25761 9647 1 20 . 1 1 8 8 ILE H H 8 7.749 7.749 7.122 0.627 25761 9648 1 20 . 1 1 9 9 TRP N N 9 124.446 124.446 119.736 4.710 25761 9649 1 20 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.302 -0.458 25761 9650 1 20 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.878 -0.742 25761 9651 1 20 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.372 -1.397 25761 9652 1 20 . 1 1 9 9 TRP H H 9 8.232 8.232 7.179 1.053 25761 9653 1 20 . 1 1 10 10 VAL N N 10 121.207 121.207 119.226 1.981 25761 9654 1 20 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.526 -0.361 25761 9655 1 20 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.565 -2.330 25761 9656 1 20 . 1 1 10 10 VAL CB C 10 29.016 29.016 31.148 -2.132 25761 9657 1 20 . 1 1 10 10 VAL H H 10 9.240 9.240 7.672 1.568 25761 9658 1 20 . 1 1 11 11 ALA N N 11 120.679 120.679 121.894 -1.215 25761 9659 1 20 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.947 -0.098 25761 9660 1 20 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.329 -2.850 25761 9661 1 20 . 1 1 11 11 ALA CB C 11 15.145 15.145 17.936 -2.792 25761 9662 1 20 . 1 1 11 11 ALA H H 11 7.718 7.718 8.012 -0.294 25761 9663 1 20 . 1 1 12 12 ALA N N 12 120.217 120.217 121.475 -1.258 25761 9664 1 20 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.063 -0.158 25761 9665 1 20 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.827 -2.831 25761 9666 1 20 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.413 -3.474 25761 9667 1 20 . 1 1 12 12 ALA H H 12 7.642 7.642 8.097 -0.455 25761 9668 1 20 . 1 1 13 13 LEU N N 13 122.821 122.821 120.879 1.942 25761 9669 1 20 . 1 1 13 13 LEU HA H 13 3.545 3.545 3.996 -0.451 25761 9670 1 20 . 1 1 13 13 LEU CA C 13 55.541 55.541 58.043 -2.502 25761 9671 1 20 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.886 -3.437 25761 9672 1 20 . 1 1 13 13 LEU H H 13 7.320 7.320 8.380 -1.060 25761 9673 1 20 . 1 1 14 14 ILE N N 14 117.258 117.258 118.832 -1.574 25761 9674 1 20 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.523 -0.471 25761 9675 1 20 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.609 -2.404 25761 9676 1 20 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.458 -1.681 25761 9677 1 20 . 1 1 14 14 ILE H H 14 8.105 8.105 8.285 -0.180 25761 9678 1 20 . 1 1 15 15 ARG N N 15 117.921 117.921 119.189 -1.268 25761 9679 1 20 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.888 0.072 25761 9680 1 20 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.673 -3.605 25761 9681 1 20 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.679 -2.377 25761 9682 1 20 . 1 1 15 15 ARG H H 15 7.574 7.574 7.631 -0.057 25761 9683 1 20 . 1 1 16 16 ARG N N 16 118.635 118.635 118.782 -0.147 25761 9684 1 20 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.000 -0.299 25761 9685 1 20 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.776 -1.122 25761 9686 1 20 . 1 1 16 16 ARG CB C 16 28.131 28.131 30.001 -1.870 25761 9687 1 20 . 1 1 16 16 ARG H H 16 7.832 7.832 8.146 -0.314 25761 9688 1 20 . 1 1 17 17 ALA N N 17 122.335 122.335 122.395 -0.060 25761 9689 1 20 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.655 0.397 25761 9690 1 20 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.305 8.055 25761 9691 1 20 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.158 -2.605 25761 9692 1 20 . 1 1 17 17 ALA H H 17 7.856 7.856 8.242 -0.386 25761 9693 1 20 . 1 1 18 18 GLU N N 18 118.223 118.223 120.340 -2.117 25761 9694 1 20 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.097 -0.106 25761 9695 1 20 . 1 1 18 18 GLU CA C 18 56.489 56.489 59.083 -2.594 25761 9696 1 20 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.446 -2.660 25761 9697 1 20 . 1 1 18 18 GLU H H 18 8.303 8.303 7.936 0.367 25761 9698 1 20 . 1 1 19 19 LEU N N 19 122.454 122.454 120.071 2.383 25761 9699 1 20 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.048 -0.044 25761 9700 1 20 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.759 -1.902 25761 9701 1 20 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.995 -2.880 25761 9702 1 20 . 1 1 19 19 LEU H H 19 8.402 8.402 8.119 0.283 25761 9703 1 20 . 1 1 20 20 GLY N N 20 105.446 105.446 103.606 1.840 25761 9704 1 20 . 1 1 20 20 GLY CA C 20 42.743 42.743 44.507 -1.764 25761 9705 1 20 . 1 1 20 20 GLY H H 20 7.468 7.468 7.476 -0.008 25761 9706 1 20 . 1 1 21 21 GLY N N 21 107.714 107.714 108.340 -0.626 25761 9707 1 20 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.963 -2.336 25761 9708 1 20 . 1 1 21 21 GLY H H 21 7.754 7.754 7.754 -0.000 25761 9709 1 20 . 1 1 22 22 ALA N N 22 123.725 123.725 120.762 2.963 25761 9710 1 20 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.880 -0.216 25761 9711 1 20 . 1 1 22 22 ALA CA C 22 48.238 48.238 50.626 -2.388 25761 9712 1 20 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.742 -2.459 25761 9713 1 20 . 1 1 22 22 ALA H H 22 8.012 8.012 7.299 0.713 25761 9714 1 20 . 1 1 23 23 PHE N N 23 117.564 117.564 121.162 -3.598 25761 9715 1 20 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.772 0.067 25761 9716 1 20 . 1 1 23 23 PHE CA C 23 53.762 53.762 55.957 -2.195 25761 9717 1 20 . 1 1 23 23 PHE CB C 23 38.656 38.656 40.938 -2.282 25761 9718 1 20 . 1 1 23 23 PHE H H 23 8.128 8.128 8.446 -0.318 25761 9719 1 20 . 1 1 24 24 ALA N N 24 128.638 128.638 129.592 -0.954 25761 9720 1 20 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.381 0.071 25761 9721 1 20 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.509 -2.998 25761 9722 1 20 . 1 1 24 24 ALA CB C 24 21.378 21.378 21.111 0.267 25761 9723 1 20 . 1 1 24 24 ALA H H 24 8.542 8.542 8.211 0.331 25761 9724 1 20 . 1 1 25 25 THR N N 25 115.207 115.207 114.743 0.464 25761 9725 1 20 . 1 1 25 25 THR HA H 25 4.394 4.394 4.391 0.003 25761 9726 1 20 . 1 1 25 25 THR CA C 25 57.830 57.830 61.506 -3.676 25761 9727 1 20 . 1 1 25 25 THR CB C 25 69.095 69.095 71.062 -1.967 25761 9728 1 20 . 1 1 25 25 THR H H 25 9.003 9.003 8.407 0.596 25761 9729 1 20 . 1 1 26 26 VAL N N 26 125.712 125.712 125.039 0.673 25761 9730 1 20 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.634 -0.452 25761 9731 1 20 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.363 -0.877 25761 9732 1 20 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.651 -4.103 25761 9733 1 20 . 1 1 26 26 VAL H H 26 8.739 8.739 8.483 0.256 25761 9734 1 20 . 1 1 27 27 ALA N N 27 134.206 134.206 132.989 1.217 25761 9735 1 20 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.439 -0.194 25761 9736 1 20 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.808 -2.066 25761 9737 1 20 . 1 1 27 27 ALA CB C 27 16.531 16.531 19.950 -3.419 25761 9738 1 20 . 1 1 27 27 ALA H H 27 8.412 8.412 9.044 -0.632 25761 9739 1 20 . 1 1 28 28 ARG N N 28 117.751 117.751 117.682 0.069 25761 9740 1 20 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.497 -0.289 25761 9741 1 20 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.558 -1.900 25761 9742 1 20 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.891 -2.891 25761 9743 1 20 . 1 1 28 28 ARG H H 28 8.090 8.090 7.701 0.389 25761 9744 1 20 . 1 1 29 29 LYS N N 29 128.417 128.417 122.001 6.416 25761 9745 1 20 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.543 -0.434 25761 9746 1 20 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.703 -1.911 25761 9747 1 20 . 1 1 29 29 LYS CB C 29 30.289 30.289 34.160 -3.871 25761 9748 1 20 . 1 1 29 29 LYS H H 29 8.536 8.536 8.316 0.220 25761 9749 1 20 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.908 -3.050 25761 9750 1 20 . 1 1 31 31 ASP N N 31 120.477 120.477 121.434 -0.957 25761 9751 1 20 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.623 -0.119 25761 9752 1 20 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.850 -2.213 25761 9753 1 20 . 1 1 31 31 ASP CB C 31 40.350 40.350 42.319 -1.969 25761 9754 1 20 . 1 1 31 31 ASP H H 31 8.445 8.445 8.150 0.295 25761 9755 1 20 . 1 1 32 32 ALA N N 32 133.865 133.865 130.840 3.025 25761 9756 1 20 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.424 -0.055 25761 9757 1 20 . 1 1 32 32 ALA CA C 32 53.287 53.287 55.062 -1.776 25761 9758 1 20 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.259 -2.204 25761 9759 1 20 . 1 1 32 32 ALA H H 32 9.236 9.236 9.004 0.232 25761 9760 1 20 . 1 1 33 33 ARG N N 33 113.991 113.991 117.786 -3.795 25761 9761 1 20 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.188 0.226 25761 9762 1 20 . 1 1 33 33 ARG CA C 33 55.785 55.785 58.922 -3.137 25761 9763 1 20 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.239 -3.056 25761 9764 1 20 . 1 1 33 33 ARG H H 33 7.913 7.913 8.602 -0.689 25761 9765 1 20 . 1 1 34 34 ALA N N 34 120.593 120.593 120.570 0.023 25761 9766 1 20 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.658 0.016 25761 9767 1 20 . 1 1 34 34 ALA CA C 34 48.536 48.536 50.764 -2.228 25761 9768 1 20 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.078 -1.264 25761 9769 1 20 . 1 1 34 34 ALA H H 34 8.306 8.306 8.018 0.288 25761 9770 1 20 . 1 1 35 35 GLY N N 35 107.349 107.349 108.028 -0.679 25761 9771 1 20 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.257 0.193 25761 9772 1 20 . 1 1 35 35 GLY H H 35 7.715 7.715 7.915 -0.200 25761 9773 1 20 . 1 1 36 36 ALA N N 36 127.073 127.073 125.779 1.294 25761 9774 1 20 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.538 -0.180 25761 9775 1 20 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.865 -2.724 25761 9776 1 20 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.560 -3.593 25761 9777 1 20 . 1 1 36 36 ALA H H 36 8.935 8.935 8.080 0.855 25761 9778 1 20 . 1 1 37 37 VAL N N 37 116.903 116.903 116.942 -0.039 25761 9779 1 20 . 1 1 37 37 VAL HA H 37 4.749 4.749 4.951 -0.202 25761 9780 1 20 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.666 -2.084 25761 9781 1 20 . 1 1 37 37 VAL H H 37 7.830 7.830 8.413 -0.583 25761 9782 1 20 . 1 1 38 38 LEU N N 38 126.366 126.366 122.330 4.036 25761 9783 1 20 . 1 1 38 38 LEU HA H 38 5.531 5.531 4.978 0.553 25761 9784 1 20 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.867 -2.992 25761 9785 1 20 . 1 1 38 38 LEU CB C 38 41.970 41.970 46.225 -4.255 25761 9786 1 20 . 1 1 38 38 LEU H H 38 8.926 8.926 8.526 0.400 25761 9787 1 20 . 1 1 39 39 VAL N N 39 121.843 121.843 121.218 0.625 25761 9788 1 20 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.568 0.311 25761 9789 1 20 . 1 1 39 39 VAL CA C 39 58.343 58.343 61.617 -3.274 25761 9790 1 20 . 1 1 39 39 VAL CB C 39 32.192 32.192 33.269 -1.077 25761 9791 1 20 . 1 1 39 39 VAL H H 39 8.819 8.819 8.935 -0.116 25761 9792 1 20 . 1 1 40 40 LYS N N 40 129.592 129.592 128.165 1.427 25761 9793 1 20 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.701 0.578 25761 9794 1 20 . 1 1 40 40 LYS CA C 40 47.991 47.991 53.892 -5.901 25761 9795 1 20 . 1 1 40 40 LYS CB C 40 31.682 31.682 33.218 -1.536 25761 9796 1 20 . 1 1 40 40 LYS H H 40 9.438 9.438 8.330 1.108 25761 9797 1 20 . 1 1 41 41 ALA N N 41 131.659 131.659 129.493 2.166 25761 9798 1 20 . 1 1 41 41 ALA HA H 41 5.249 5.249 4.555 0.694 25761 9799 1 20 . 1 1 41 41 ALA CA C 41 51.816 51.816 51.409 0.407 25761 9800 1 20 . 1 1 41 41 ALA CB C 41 17.645 17.645 20.353 -2.708 25761 9801 1 20 . 1 1 41 41 ALA H H 41 9.349 9.349 8.058 1.291 25761 9802 1 20 . 1 1 42 42 VAL N N 42 127.668 127.668 120.722 6.946 25761 9803 1 20 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.266 0.003 25761 9804 1 20 . 1 1 42 42 VAL CA C 42 59.621 59.621 60.979 -1.358 25761 9805 1 20 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.204 -2.326 25761 9806 1 20 . 1 1 42 42 VAL H H 42 9.517 9.517 8.525 0.992 25761 9807 1 20 . 1 1 43 43 ASP N N 43 127.524 127.524 125.260 2.264 25761 9808 1 20 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.142 -0.256 25761 9809 1 20 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.589 -3.959 25761 9810 1 20 . 1 1 43 43 ASP CB C 43 38.527 38.527 40.513 -1.986 25761 9811 1 20 . 1 1 43 43 ASP H H 43 8.821 8.821 8.882 -0.061 25761 9812 1 20 . 1 1 44 44 ARG N N 44 123.676 123.676 120.362 3.314 25761 9813 1 20 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.164 -0.069 25761 9814 1 20 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.975 -3.304 25761 9815 1 20 . 1 1 44 44 ARG CB C 44 28.094 28.094 29.663 -1.569 25761 9816 1 20 . 1 1 44 44 ARG H H 44 8.435 8.435 8.916 -0.481 25761 9817 1 20 . 1 1 45 45 ARG N N 45 120.486 120.486 119.637 0.849 25761 9818 1 20 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.239 -0.108 25761 9819 1 20 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.594 -1.987 25761 9820 1 20 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.740 -2.676 25761 9821 1 20 . 1 1 45 45 ARG H H 45 8.551 8.551 8.125 0.426 25761 9822 1 20 . 1 1 46 46 GLU N N 46 116.189 116.189 117.087 -0.898 25761 9823 1 20 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.346 -0.093 25761 9824 1 20 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.218 -2.780 25761 9825 1 20 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.285 -1.669 25761 9826 1 20 . 1 1 46 46 GLU H H 46 7.918 7.918 7.868 0.050 25761 9827 1 20 . 1 1 47 47 GLY N N 47 108.218 108.218 108.857 -0.639 25761 9828 1 20 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.799 -1.829 25761 9829 1 20 . 1 1 47 47 GLY H H 47 8.159 8.159 8.190 -0.031 25761 9830 1 20 . 1 1 48 48 THR N N 48 109.683 109.683 113.321 -3.638 25761 9831 1 20 . 1 1 48 48 THR HA H 48 4.639 4.639 4.430 0.209 25761 9832 1 20 . 1 1 48 48 THR CA C 48 57.215 57.215 60.618 -3.403 25761 9833 1 20 . 1 1 48 48 THR CB C 48 69.275 69.275 70.684 -1.409 25761 9834 1 20 . 1 1 48 48 THR H H 48 7.485 7.485 7.705 -0.220 25761 9835 1 20 . 1 1 49 49 ALA N N 49 122.571 122.571 121.154 1.417 25761 9836 1 20 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.708 0.448 25761 9837 1 20 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.263 -3.252 25761 9838 1 20 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.115 -1.111 25761 9839 1 20 . 1 1 49 49 ALA H H 49 8.530 8.530 8.169 0.361 25761 9840 1 20 . 1 1 50 50 ARG N N 50 115.654 115.654 117.092 -1.438 25761 9841 1 20 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.656 -0.016 25761 9842 1 20 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.706 -3.200 25761 9843 1 20 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.104 -0.272 25761 9844 1 20 . 1 1 50 50 ARG H H 50 8.168 8.168 8.440 -0.272 25761 9845 1 20 . 1 1 51 51 LEU N N 51 122.400 122.400 120.635 1.765 25761 9846 1 20 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.531 0.743 25761 9847 1 20 . 1 1 51 51 LEU CA C 51 50.376 50.376 53.816 -3.439 25761 9848 1 20 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.502 -1.343 25761 9849 1 20 . 1 1 51 51 LEU H H 51 8.213 8.213 8.364 -0.151 25761 9850 1 20 . 1 1 52 52 PHE N N 52 124.579 124.579 123.520 1.059 25761 9851 1 20 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.561 -0.011 25761 9852 1 20 . 1 1 52 52 PHE CA C 52 53.674 53.674 56.397 -2.723 25761 9853 1 20 . 1 1 52 52 PHE CB C 52 40.619 40.619 41.430 -0.811 25761 9854 1 20 . 1 1 52 52 PHE H H 52 9.546 9.546 9.153 0.393 25761 9855 1 20 . 1 1 53 53 SER N N 53 115.953 115.953 116.350 -0.397 25761 9856 1 20 . 1 1 53 53 SER HA H 53 5.267 5.267 5.145 0.122 25761 9857 1 20 . 1 1 53 53 SER CA C 53 53.513 53.513 55.904 -2.391 25761 9858 1 20 . 1 1 53 53 SER CB C 53 64.255 64.255 66.313 -2.058 25761 9859 1 20 . 1 1 53 53 SER H H 53 9.727 9.727 8.680 1.047 25761 9860 1 20 . 1 1 54 54 GLU N N 54 124.987 124.987 122.371 2.616 25761 9861 1 20 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.228 -0.620 25761 9862 1 20 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.490 -2.174 25761 9863 1 20 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.185 2.492 25761 9864 1 20 . 1 1 54 54 GLU H H 54 8.431 8.431 8.549 -0.118 25761 9865 1 20 . 1 1 55 55 ALA N N 55 127.789 127.789 123.620 4.169 25761 9866 1 20 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.407 -0.147 25761 9867 1 20 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.404 -3.399 25761 9868 1 20 . 1 1 55 55 ALA CB C 55 19.682 19.682 20.749 -1.067 25761 9869 1 20 . 1 1 55 55 ALA H H 55 8.430 8.430 7.618 0.812 25761 9870 1 20 . 1 1 56 56 THR N N 56 111.341 111.341 112.550 -1.209 25761 9871 1 20 . 1 1 56 56 THR HA H 56 5.038 5.038 5.213 -0.175 25761 9872 1 20 . 1 1 56 56 THR CA C 56 58.078 58.078 61.252 -3.174 25761 9873 1 20 . 1 1 56 56 THR CB C 56 68.505 68.505 71.701 -3.196 25761 9874 1 20 . 1 1 56 56 THR H H 56 7.923 7.923 8.003 -0.080 25761 9875 1 20 . 1 1 57 57 ARG N N 57 124.295 124.295 123.117 1.178 25761 9876 1 20 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.785 -0.198 25761 9877 1 20 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.531 -3.206 25761 9878 1 20 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.404 -0.737 25761 9879 1 20 . 1 1 57 57 ARG H H 57 9.054 9.054 8.939 0.115 25761 9880 1 20 . 1 1 58 58 GLY N N 58 109.220 109.220 109.121 0.099 25761 9881 1 20 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.769 -2.172 25761 9882 1 20 . 1 1 58 58 GLY H H 58 8.706 8.706 8.737 -0.031 25761 9883 1 20 . 1 1 59 59 ASP N N 59 120.555 120.555 120.942 -0.387 25761 9884 1 20 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.591 -0.005 25761 9885 1 20 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.531 -3.162 25761 9886 1 20 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.902 -3.505 25761 9887 1 20 . 1 1 59 59 ASP H H 59 8.194 8.194 8.298 -0.104 25761 9888 1 20 . 1 1 60 60 GLY N N 60 107.833 107.833 106.986 0.847 25761 9889 1 20 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.129 -2.216 25761 9890 1 20 . 1 1 60 60 GLY H H 60 7.999 7.999 7.743 0.256 25761 9891 1 20 . 1 1 61 61 GLU N N 61 121.205 121.205 119.277 1.928 25761 9892 1 20 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.441 -0.255 25761 9893 1 20 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.261 -1.267 25761 9894 1 20 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.939 -3.008 25761 9895 1 20 . 1 1 61 61 GLU H H 61 7.910 7.910 8.235 -0.325 25761 9896 1 20 . 1 1 62 62 ARG N N 62 125.261 125.261 127.351 -2.090 25761 9897 1 20 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.724 0.088 25761 9898 1 20 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.395 -3.508 25761 9899 1 20 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.613 -2.695 25761 9900 1 20 . 1 1 62 62 ARG H H 62 8.219 8.219 8.601 -0.382 25761 9901 1 20 . 1 1 63 63 PHE N N 63 120.777 120.777 117.937 2.840 25761 9902 1 20 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.756 0.123 25761 9903 1 20 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.536 -2.736 25761 9904 1 20 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.420 -1.258 25761 9905 1 20 . 1 1 63 63 PHE H H 63 8.431 8.431 7.406 1.025 25761 9906 1 20 . 1 1 64 64 TRP N N 64 119.550 119.550 121.051 -1.501 25761 9907 1 20 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.226 -0.200 25761 9908 1 20 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.434 -2.245 25761 9909 1 20 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.598 -0.715 25761 9910 1 20 . 1 1 64 64 TRP H H 64 8.914 8.914 8.822 0.092 25761 9911 1 20 . 1 1 65 65 MET N N 65 118.324 118.324 120.880 -2.556 25761 9912 1 20 . 1 1 65 65 MET HA H 65 5.156 5.156 5.190 -0.034 25761 9913 1 20 . 1 1 65 65 MET CA C 65 50.438 50.438 54.323 -3.885 25761 9914 1 20 . 1 1 65 65 MET CB C 65 32.296 32.296 35.220 -2.924 25761 9915 1 20 . 1 1 65 65 MET H H 65 9.282 9.282 8.246 1.036 25761 9916 1 20 . 1 1 66 66 GLN N N 66 119.469 119.469 118.860 0.609 25761 9917 1 20 . 1 1 66 66 GLN HA H 66 5.514 5.514 5.014 0.500 25761 9918 1 20 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.808 -2.843 25761 9919 1 20 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.299 0.201 25761 9920 1 20 . 1 1 66 66 GLN H H 66 8.785 8.785 8.098 0.687 25761 9921 1 20 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.403 -0.282 25761 9922 1 20 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.235 -2.369 25761 9923 1 20 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.065 -2.028 25761 9924 1 20 . 1 1 68 68 VAL N N 68 119.433 119.433 120.792 -1.359 25761 9925 1 20 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.226 -0.267 25761 9926 1 20 . 1 1 68 68 VAL CA C 68 57.834 57.834 61.114 -3.280 25761 9927 1 20 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.981 -1.950 25761 9928 1 20 . 1 1 68 68 VAL H H 68 8.464 8.464 7.748 0.716 25761 9929 1 20 . 1 1 69 69 ARG N N 69 127.119 127.119 128.847 -1.728 25761 9930 1 20 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.549 -0.213 25761 9931 1 20 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.596 -3.784 25761 9932 1 20 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.445 -2.522 25761 9933 1 20 . 1 1 69 69 ARG H H 69 8.519 8.519 8.818 -0.299 25761 9934 1 20 . 1 1 70 70 SER N N 70 115.574 115.574 117.296 -1.722 25761 9935 1 20 . 1 1 70 70 SER HA H 70 4.598 4.598 4.764 -0.166 25761 9936 1 20 . 1 1 70 70 SER CA C 70 54.127 54.127 57.539 -3.412 25761 9937 1 20 . 1 1 70 70 SER CB C 70 62.189 62.189 65.071 -2.882 25761 9938 1 20 . 1 1 70 70 SER H H 70 7.955 7.955 8.016 -0.061 25761 9939 1 20 . 1 1 71 71 THR N N 71 114.592 114.592 112.706 1.886 25761 9940 1 20 . 1 1 71 71 THR HA H 71 5.244 5.244 4.346 0.898 25761 9941 1 20 . 1 1 71 71 THR CA C 71 58.147 58.147 61.469 -3.322 25761 9942 1 20 . 1 1 71 71 THR CB C 71 66.895 66.895 69.204 -2.309 25761 9943 1 20 . 1 1 71 71 THR H H 71 8.285 8.285 8.139 0.146 25761 9944 1 20 . 1 1 72 72 PHE N N 72 125.101 125.101 121.951 3.150 25761 9945 1 20 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.429 0.512 25761 9946 1 20 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.745 -4.610 25761 9947 1 20 . 1 1 72 72 PHE CB C 72 36.931 36.931 38.996 -2.065 25761 9948 1 20 . 1 1 72 72 PHE H H 72 8.649 8.649 7.695 0.954 25761 9949 1 20 . 1 1 73 73 GLU N N 73 129.014 129.014 126.131 2.883 25761 9950 1 20 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.070 -0.519 25761 9951 1 20 . 1 1 73 73 GLU CA C 73 59.415 59.415 60.584 -1.169 25761 9952 1 20 . 1 1 73 73 GLU CB C 73 33.892 33.892 27.718 6.173 25761 9953 1 20 . 1 1 73 73 GLU H H 73 9.018 9.018 8.965 0.053 25761 9954 1 20 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.267 -2.170 25761 9955 1 20 . 1 1 75 75 ASP N N 75 116.246 116.246 118.640 -2.394 25761 9956 1 20 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.771 -0.321 25761 9957 1 20 . 1 1 75 75 ASP CA C 75 54.550 54.550 55.130 -0.580 25761 9958 1 20 . 1 1 75 75 ASP CB C 75 37.741 37.741 41.557 -3.816 25761 9959 1 20 . 1 1 75 75 ASP H H 75 7.493 7.493 7.898 -0.405 25761 9960 1 20 . 1 1 76 76 LEU N N 76 121.503 121.503 121.689 -0.186 25761 9961 1 20 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.080 -0.094 25761 9962 1 20 . 1 1 76 76 LEU CA C 76 54.244 54.244 58.029 -3.785 25761 9963 1 20 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.073 -4.834 25761 9964 1 20 . 1 1 76 76 LEU H H 76 7.651 7.651 7.695 -0.044 25761 9965 1 20 . 1 1 77 77 ASP N N 77 120.554 120.554 118.403 2.151 25761 9966 1 20 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.386 -0.095 25761 9967 1 20 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.023 -2.328 25761 9968 1 20 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.252 -3.058 25761 9969 1 20 . 1 1 77 77 ASP H H 77 8.117 8.117 8.066 0.051 25761 9970 1 20 . 1 1 78 78 ALA N N 78 121.953 121.953 122.370 -0.417 25761 9971 1 20 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.180 -0.037 25761 9972 1 20 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.867 -2.497 25761 9973 1 20 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.173 -2.774 25761 9974 1 20 . 1 1 78 78 ALA H H 78 7.904 7.904 8.281 -0.377 25761 9975 1 20 . 1 1 79 79 TYR N N 79 119.746 119.746 120.658 -0.912 25761 9976 1 20 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.019 -0.130 25761 9977 1 20 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.890 -2.505 25761 9978 1 20 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.350 -2.539 25761 9979 1 20 . 1 1 79 79 TYR H H 79 7.422 7.422 8.204 -0.782 25761 9980 1 20 . 1 1 80 80 ALA N N 80 122.107 122.107 119.133 2.974 25761 9981 1 20 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.108 -0.338 25761 9982 1 20 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.859 -2.329 25761 9983 1 20 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.194 -2.816 25761 9984 1 20 . 1 1 80 80 ALA H H 80 8.376 8.376 8.117 0.259 25761 9985 1 20 . 1 1 81 81 GLU N N 81 118.620 118.620 119.164 -0.544 25761 9986 1 20 . 1 1 81 81 GLU HA H 81 3.844 3.844 3.974 -0.130 25761 9987 1 20 . 1 1 81 81 GLU CA C 81 56.713 56.713 59.177 -2.464 25761 9988 1 20 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.574 -2.695 25761 9989 1 20 . 1 1 81 81 GLU H H 81 8.149 8.149 7.688 0.461 25761 9990 1 20 . 1 1 82 82 ARG N N 82 120.032 120.032 119.310 0.722 25761 9991 1 20 . 1 1 82 82 ARG HA H 82 3.748 3.748 3.986 -0.238 25761 9992 1 20 . 1 1 82 82 ARG CA C 82 56.787 56.787 59.044 -2.257 25761 9993 1 20 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.211 -5.058 25761 9994 1 20 . 1 1 82 82 ARG H H 82 7.535 7.535 7.971 -0.436 25761 9995 1 20 . 1 1 83 83 ALA N N 83 122.089 122.089 120.734 1.355 25761 9996 1 20 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.998 -0.290 25761 9997 1 20 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.959 -2.634 25761 9998 1 20 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.455 -2.786 25761 9999 1 20 . 1 1 83 83 ALA H H 83 8.467 8.467 8.159 0.308 25761 10000 1 20 . 1 1 84 84 ALA N N 84 118.529 118.529 119.173 -0.644 25761 10001 1 20 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.270 -0.028 25761 10002 1 20 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.496 -3.507 25761 10003 1 20 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.744 -3.563 25761 10004 1 20 . 1 1 84 84 ALA H H 84 7.517 7.517 7.574 -0.057 25761 10005 1 20 . 1 1 85 85 ARG N N 85 117.478 117.478 117.136 0.342 25761 10006 1 20 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.233 -0.246 25761 10007 1 20 . 1 1 85 85 ARG CA C 85 55.691 55.691 58.171 -2.480 25761 10008 1 20 . 1 1 85 85 ARG CB C 85 27.586 27.586 30.302 -2.716 25761 10009 1 20 . 1 1 85 85 ARG H H 85 7.278 7.278 7.726 -0.448 25761 10010 1 20 . 1 1 86 86 ILE N N 86 118.079 118.079 118.862 -0.783 25761 10011 1 20 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.182 -0.435 25761 10012 1 20 . 1 1 86 86 ILE CA C 86 60.531 60.531 62.182 -1.651 25761 10013 1 20 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.827 -3.614 25761 10014 1 20 . 1 1 86 86 ILE H H 86 7.286 7.286 7.597 -0.311 25761 10015 1 20 . 1 1 87 87 ASP N N 87 117.833 117.833 121.070 -3.237 25761 10016 1 20 . 1 1 87 87 ASP HA H 87 4.980 4.980 5.072 -0.092 25761 10017 1 20 . 1 1 87 87 ASP CA C 87 47.642 47.642 51.490 -3.849 25761 10018 1 20 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.107 -1.931 25761 10019 1 20 . 1 1 87 87 ASP H H 87 7.973 7.973 7.837 0.136 25761 10020 1 20 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.369 0.272 25761 10021 1 20 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.112 -3.563 25761 10022 1 20 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.294 -2.735 25761 10023 1 20 . 1 1 89 89 ASP N N 89 120.189 120.189 117.871 2.318 25761 10024 1 20 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.751 -0.065 25761 10025 1 20 . 1 1 89 89 ASP CB C 89 39.373 39.373 40.761 -1.388 25761 10026 1 20 . 1 1 89 89 ASP H H 89 7.960 7.960 8.174 -0.214 25761 10027 1 20 . 1 1 90 90 ILE N N 90 120.372 120.372 120.827 -0.455 25761 10028 1 20 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.330 0.225 25761 10029 1 20 . 1 1 90 90 ILE CA C 90 60.022 60.022 62.360 -2.338 25761 10030 1 20 . 1 1 90 90 ILE CB C 90 38.198 38.198 39.522 -1.324 25761 10031 1 20 . 1 1 90 90 ILE H H 90 7.234 7.234 7.417 -0.183 25761 10032 1 20 . 1 1 91 91 TRP N N 91 122.596 122.596 125.049 -2.453 25761 10033 1 20 . 1 1 91 91 TRP HA H 91 4.889 4.889 5.138 -0.249 25761 10034 1 20 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.036 -3.369 25761 10035 1 20 . 1 1 91 91 TRP CB C 91 28.630 28.630 32.293 -3.663 25761 10036 1 20 . 1 1 91 91 TRP H H 91 9.295 9.295 8.747 0.548 25761 10037 1 20 . 1 1 92 92 VAL N N 92 118.958 118.958 119.940 -0.982 25761 10038 1 20 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.577 0.571 25761 10039 1 20 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.781 -2.384 25761 10040 1 20 . 1 1 92 92 VAL CB C 92 31.825 31.825 34.168 -2.343 25761 10041 1 20 . 1 1 92 92 VAL H H 92 9.040 9.040 8.612 0.428 25761 10042 1 20 . 1 1 93 93 VAL N N 93 129.129 129.129 128.472 0.657 25761 10043 1 20 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.440 0.329 25761 10044 1 20 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.914 -4.599 25761 10045 1 20 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.758 -1.210 25761 10046 1 20 . 1 1 93 93 VAL H H 93 9.201 9.201 9.176 0.025 25761 10047 1 20 . 1 1 94 94 GLU N N 94 126.192 126.192 127.181 -0.989 25761 10048 1 20 . 1 1 94 94 GLU HA H 94 5.412 5.412 5.293 0.119 25761 10049 1 20 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.232 -2.468 25761 10050 1 20 . 1 1 94 94 GLU CB C 94 29.584 29.584 33.263 -3.679 25761 10051 1 20 . 1 1 94 94 GLU H H 94 9.161 9.161 8.324 0.837 25761 10052 1 20 . 1 1 95 95 ILE N N 95 125.285 125.285 124.642 0.643 25761 10053 1 20 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.476 0.295 25761 10054 1 20 . 1 1 95 95 ILE CA C 95 57.319 57.319 59.156 -1.837 25761 10055 1 20 . 1 1 95 95 ILE CB C 95 38.475 38.475 38.059 0.416 25761 10056 1 20 . 1 1 95 95 ILE H H 95 9.347 9.347 8.187 1.160 25761 10057 1 20 . 1 1 96 96 GLU N N 96 128.539 128.539 128.770 -0.231 25761 10058 1 20 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.331 0.824 25761 10059 1 20 . 1 1 96 96 GLU CA C 96 52.551 52.551 57.538 -4.987 25761 10060 1 20 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.285 -1.224 25761 10061 1 20 . 1 1 96 96 GLU H H 96 9.390 9.390 8.585 0.805 25761 10062 1 20 . 1 1 97 97 ASP N N 97 123.516 123.516 123.804 -0.288 25761 10063 1 20 . 1 1 97 97 ASP HA H 97 5.319 5.319 5.012 0.307 25761 10064 1 20 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.202 -1.433 25761 10065 1 20 . 1 1 97 97 ASP CB C 97 45.837 45.837 44.948 0.889 25761 10066 1 20 . 1 1 97 97 ASP H H 97 8.582 8.582 8.288 0.294 25761 10067 1 20 . 1 1 98 98 ARG N N 98 127.597 127.597 119.496 8.101 25761 10068 1 20 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.271 -0.200 25761 10069 1 20 . 1 1 98 98 ARG CA C 98 56.486 56.486 59.175 -2.689 25761 10070 1 20 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.673 -3.103 25761 10071 1 20 . 1 1 98 98 ARG H H 98 8.914 8.914 8.679 0.235 25761 10072 1 20 . 1 1 99 99 ASP N N 99 115.196 115.196 118.760 -3.564 25761 10073 1 20 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.858 0.120 25761 10074 1 20 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.558 -2.550 25761 10075 1 20 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.112 -0.330 25761 10076 1 20 . 1 1 99 99 ASP H H 99 7.379 7.379 8.146 -0.767 25761 10077 1 20 . 1 1 100 100 GLY N N 100 106.976 106.976 108.338 -1.362 25761 10078 1 20 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.469 -0.836 25761 10079 1 20 . 1 1 100 100 GLY H H 100 7.481 7.481 7.597 -0.116 25761 10080 1 20 . 1 1 101 101 ARG N N 101 120.072 120.072 119.624 0.448 25761 10081 1 20 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.654 -0.212 25761 10082 1 20 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.625 -1.438 25761 10083 1 20 . 1 1 101 101 ARG CB C 101 27.859 27.859 29.511 -1.652 25761 10084 1 20 . 1 1 101 101 ARG H H 101 8.798 8.798 8.099 0.699 25761 10085 1 20 . 1 1 102 102 HIS N N 102 112.990 112.990 122.251 -9.261 25761 10086 1 20 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.599 -0.246 25761 10087 1 20 . 1 1 102 102 HIS CA C 102 51.683 51.683 53.688 -2.005 25761 10088 1 20 . 1 1 102 102 HIS CB C 102 29.524 29.524 27.456 2.068 25761 10089 1 20 . 1 1 102 102 HIS H H 102 5.928 5.928 7.624 -1.696 25761 10090 1 20 . 1 1 103 103 PHE N N 103 106.623 106.623 122.065 -15.442 25761 10091 1 20 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.239 -0.846 25761 10092 1 20 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.739 -1.864 25761 10093 1 20 . 1 1 103 103 PHE CB C 103 33.351 33.351 38.905 -5.554 25761 10094 1 20 . 1 1 103 103 PHE H H 103 6.660 6.660 7.848 -1.188 25761 10095 1 20 . 1 1 104 104 LEU N N 104 123.743 123.743 118.135 5.608 25761 10096 1 20 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.261 -0.013 25761 10097 1 20 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.022 -2.172 25761 10098 1 20 . 1 1 104 104 LEU CB C 104 38.257 38.257 41.460 -3.203 25761 10099 1 20 . 1 1 104 104 LEU H H 104 10.737 10.737 7.728 3.009 25761 10100 1 20 . 1 1 105 105 THR N N 105 113.822 113.822 109.780 4.042 25761 10101 1 20 . 1 1 105 105 THR HA H 105 4.313 4.313 4.219 0.094 25761 10102 1 20 . 1 1 105 105 THR CA C 105 59.658 59.658 63.360 -3.702 25761 10103 1 20 . 1 1 105 105 THR CB C 105 66.210 66.210 69.331 -3.121 25761 10104 1 20 . 1 1 105 105 THR H H 105 9.213 9.213 8.370 0.843 25761 10105 1 20 . 1 1 106 106 GLU N N 106 123.871 123.871 120.262 3.609 25761 10106 1 20 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.530 0.083 25761 10107 1 20 . 1 1 106 106 GLU CB C 106 24.135 24.135 31.455 -7.320 25761 10108 1 20 . 1 1 106 106 GLU H H 106 7.734 7.734 7.717 0.017 25761 10109 1 20 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.528 -0.264 25761 10110 1 20 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.653 -1.189 25761 10111 1 20 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.528 -2.725 25761 10112 1 20 . 1 1 108 108 VAL N N 108 120.628 120.628 119.436 1.192 25761 10113 1 20 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.871 -3.063 25761 10114 1 20 . 1 1 108 108 VAL CB C 108 32.190 32.190 33.559 -1.369 25761 10115 1 20 . 1 1 108 108 VAL H H 108 8.137 8.137 8.427 -0.290 25761 10116 1 20 . 1 1 109 109 GLU N N 109 128.850 128.850 127.932 0.918 25761 10117 1 20 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.555 -0.116 25761 10118 1 20 . 1 1 109 109 GLU CA C 109 53.908 53.908 55.761 -1.853 25761 10119 1 20 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.919 -3.471 25761 10120 1 20 . 1 1 109 109 GLU H H 109 9.095 9.095 8.839 0.256 25761 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 102 2.510 -0.399 2.491 25761 2 1 1 "Average Difference" HA 98 0.309 0.064 0.304 25761 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25761 4 1 1 "Average Difference" CA 104 2.809 2.374 1.510 25761 5 1 1 "Average Difference" CB 100 2.852 2.329 1.656 25761 6 1 1 "Average Difference" HN 102 0.699 -0.112 0.693 25761 7 1 2 "Average Difference" N 102 2.503 -0.178 2.509 25761 8 1 2 "Average Difference" HA 98 0.339 0.048 0.337 25761 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25761 10 1 2 "Average Difference" CA 104 2.827 2.375 1.541 25761 11 1 2 "Average Difference" CB 100 2.759 2.310 1.516 25761 12 1 2 "Average Difference" HN 102 0.668 -0.131 0.658 25761 13 1 3 "Average Difference" N 102 2.738 -0.594 2.686 25761 14 1 3 "Average Difference" HA 98 0.355 0.036 0.354 25761 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25761 16 1 3 "Average Difference" CA 104 2.888 2.381 1.642 25761 17 1 3 "Average Difference" CB 100 2.853 2.289 1.712 25761 18 1 3 "Average Difference" HN 102 0.697 -0.157 0.682 25761 19 1 4 "Average Difference" N 102 2.575 -0.286 2.572 25761 20 1 4 "Average Difference" HA 98 0.320 0.058 0.316 25761 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25761 22 1 4 "Average Difference" CA 104 2.851 2.379 1.579 25761 23 1 4 "Average Difference" CB 100 2.811 2.309 1.611 25761 24 1 4 "Average Difference" HN 102 0.663 -0.111 0.657 25761 25 1 5 "Average Difference" N 102 2.387 -0.072 2.397 25761 26 1 5 "Average Difference" HA 98 0.319 0.054 0.316 25761 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25761 28 1 5 "Average Difference" CA 104 2.936 2.453 1.622 25761 29 1 5 "Average Difference" CB 100 2.729 2.216 1.601 25761 30 1 5 "Average Difference" HN 102 0.663 -0.120 0.655 25761 31 1 6 "Average Difference" N 102 2.553 -0.298 2.548 25761 32 1 6 "Average Difference" HA 98 0.339 0.054 0.336 25761 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25761 34 1 6 "Average Difference" CA 104 2.900 2.417 1.611 25761 35 1 6 "Average Difference" CB 100 2.756 2.285 1.550 25761 36 1 6 "Average Difference" HN 102 0.681 -0.146 0.669 25761 37 1 7 "Average Difference" N 102 2.568 -0.065 2.580 25761 38 1 7 "Average Difference" HA 98 0.307 0.084 0.297 25761 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25761 40 1 7 "Average Difference" CA 104 2.809 2.319 1.593 25761 41 1 7 "Average Difference" CB 100 2.914 2.340 1.744 25761 42 1 7 "Average Difference" HN 102 0.640 -0.101 0.635 25761 43 1 8 "Average Difference" N 102 2.577 -0.236 2.579 25761 44 1 8 "Average Difference" HA 98 0.328 0.065 0.323 25761 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25761 46 1 8 "Average Difference" CA 104 2.901 2.449 1.563 25761 47 1 8 "Average Difference" CB 100 2.755 2.318 1.496 25761 48 1 8 "Average Difference" HN 102 0.613 -0.079 0.611 25761 49 1 9 "Average Difference" N 102 3.006 -0.559 2.968 25761 50 1 9 "Average Difference" HA 98 0.362 0.034 0.363 25761 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25761 52 1 9 "Average Difference" CA 104 2.995 2.521 1.626 25761 53 1 9 "Average Difference" CB 100 2.845 2.312 1.667 25761 54 1 9 "Average Difference" HN 102 0.678 -0.123 0.670 25761 55 1 10 "Average Difference" N 102 2.490 -0.297 2.485 25761 56 1 10 "Average Difference" HA 98 0.356 0.068 0.352 25761 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25761 58 1 10 "Average Difference" CA 104 2.759 2.331 1.483 25761 59 1 10 "Average Difference" CB 100 2.719 2.242 1.545 25761 60 1 10 "Average Difference" HN 102 0.641 -0.141 0.629 25761 61 1 11 "Average Difference" N 102 2.563 -0.249 2.563 25761 62 1 11 "Average Difference" HA 98 0.334 0.043 0.333 25761 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25761 64 1 11 "Average Difference" CA 104 3.002 2.485 1.692 25761 65 1 11 "Average Difference" CB 100 2.722 2.221 1.583 25761 66 1 11 "Average Difference" HN 102 0.664 -0.138 0.653 25761 67 1 12 "Average Difference" N 102 2.565 -0.361 2.552 25761 68 1 12 "Average Difference" HA 98 0.339 0.072 0.333 25761 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25761 70 1 12 "Average Difference" CA 104 2.803 2.332 1.563 25761 71 1 12 "Average Difference" CB 100 2.821 2.336 1.589 25761 72 1 12 "Average Difference" HN 102 0.647 -0.135 0.636 25761 73 1 13 "Average Difference" N 102 2.551 -0.268 2.550 25761 74 1 13 "Average Difference" HA 98 0.365 0.056 0.362 25761 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25761 76 1 13 "Average Difference" CA 104 2.838 2.359 1.586 25761 77 1 13 "Average Difference" CB 100 2.838 2.288 1.687 25761 78 1 13 "Average Difference" HN 102 0.704 -0.156 0.690 25761 79 1 14 "Average Difference" N 102 2.627 -0.389 2.611 25761 80 1 14 "Average Difference" HA 98 0.332 0.064 0.327 25761 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25761 82 1 14 "Average Difference" CA 104 2.894 2.393 1.635 25761 83 1 14 "Average Difference" CB 100 2.943 2.474 1.602 25761 84 1 14 "Average Difference" HN 102 0.664 -0.100 0.659 25761 85 1 15 "Average Difference" N 102 2.733 -0.363 2.723 25761 86 1 15 "Average Difference" HA 98 0.327 0.072 0.321 25761 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25761 88 1 15 "Average Difference" CA 104 2.820 2.342 1.578 25761 89 1 15 "Average Difference" CB 100 2.830 2.329 1.617 25761 90 1 15 "Average Difference" HN 102 0.688 -0.112 0.682 25761 91 1 16 "Average Difference" N 102 2.872 -0.314 2.869 25761 92 1 16 "Average Difference" HA 98 0.331 0.019 0.333 25761 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25761 94 1 16 "Average Difference" CA 104 2.825 2.383 1.526 25761 95 1 16 "Average Difference" CB 100 2.745 2.202 1.647 25761 96 1 16 "Average Difference" HN 102 0.632 -0.124 0.623 25761 97 1 17 "Average Difference" N 102 2.877 -0.272 2.879 25761 98 1 17 "Average Difference" HA 98 0.393 0.045 0.392 25761 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25761 100 1 17 "Average Difference" CA 104 2.841 2.325 1.641 25761 101 1 17 "Average Difference" CB 100 2.776 2.231 1.660 25761 102 1 17 "Average Difference" HN 102 0.627 -0.095 0.623 25761 103 1 18 "Average Difference" N 102 2.426 -0.302 2.419 25761 104 1 18 "Average Difference" HA 98 0.354 0.049 0.352 25761 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25761 106 1 18 "Average Difference" CA 104 2.827 2.362 1.561 25761 107 1 18 "Average Difference" CB 100 2.807 2.328 1.575 25761 108 1 18 "Average Difference" HN 102 0.664 -0.112 0.657 25761 109 1 19 "Average Difference" N 102 2.480 -0.122 2.489 25761 110 1 19 "Average Difference" HA 98 0.316 0.038 0.315 25761 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25761 112 1 19 "Average Difference" CA 104 2.898 2.399 1.633 25761 113 1 19 "Average Difference" CB 100 2.706 2.172 1.623 25761 114 1 19 "Average Difference" HN 102 0.660 -0.119 0.652 25761 115 1 20 "Average Difference" N 102 2.953 -0.372 2.944 25761 116 1 20 "Average Difference" HA 98 0.314 0.036 0.313 25761 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25761 118 1 20 "Average Difference" CA 104 2.820 2.426 1.444 25761 119 1 20 "Average Difference" CB 100 2.764 2.221 1.653 25761 120 1 20 "Average Difference" HN 102 0.652 -0.160 0.635 25761 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 25761 _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 MET HA H 2 4.380 4.380 4.820 -0.440 25761 2 1 . 1 1 2 2 MET CA C 2 52.819 52.819 54.906 -2.087 25761 3 1 . 1 1 2 2 MET CB C 2 30.830 30.830 34.257 -3.426 25761 4 1 . 1 1 3 3 LEU N N 3 123.960 123.960 124.427 -0.467 25761 5 1 . 1 1 3 3 LEU HA H 3 4.290 4.290 4.698 -0.408 25761 6 1 . 1 1 3 3 LEU CA C 3 52.670 52.670 54.801 -2.131 25761 7 1 . 1 1 3 3 LEU CB C 3 39.928 39.928 42.156 -2.228 25761 8 1 . 1 1 3 3 LEU H H 3 8.399 8.399 8.498 -0.099 25761 9 1 . 1 1 4 4 LEU N N 4 123.372 123.372 123.100 0.272 25761 10 1 . 1 1 4 4 LEU HA H 4 4.457 4.457 4.385 0.072 25761 11 1 . 1 1 4 4 LEU CA C 4 51.647 51.647 54.531 -2.884 25761 12 1 . 1 1 4 4 LEU CB C 4 41.002 41.002 42.733 -1.731 25761 13 1 . 1 1 4 4 LEU H H 4 8.134 8.134 8.127 0.007 25761 14 1 . 1 1 5 5 SER N N 5 117.439 117.439 113.507 3.932 25761 15 1 . 1 1 5 5 SER HA H 5 4.628 4.628 4.405 0.223 25761 16 1 . 1 1 5 5 SER CA C 5 56.192 56.192 56.738 -0.546 25761 17 1 . 1 1 5 5 SER CB C 5 61.291 61.291 65.574 -4.283 25761 18 1 . 1 1 5 5 SER H H 5 8.075 8.075 7.586 0.489 25761 19 1 . 1 1 6 6 THR N N 6 121.297 121.297 118.924 2.373 25761 20 1 . 1 1 6 6 THR HA H 6 3.713 3.713 3.708 0.005 25761 21 1 . 1 1 6 6 THR CA C 6 64.981 64.981 66.979 -1.998 25761 22 1 . 1 1 6 6 THR CB C 6 65.860 65.860 68.451 -2.591 25761 23 1 . 1 1 6 6 THR H H 6 7.681 7.681 8.336 -0.655 25761 24 1 . 1 1 7 7 ASP N N 7 119.550 119.550 120.457 -0.907 25761 25 1 . 1 1 7 7 ASP HA H 7 3.742 3.742 3.753 -0.011 25761 26 1 . 1 1 7 7 ASP CA C 7 54.997 54.997 56.945 -1.948 25761 27 1 . 1 1 7 7 ASP CB C 7 36.792 36.792 40.475 -3.683 25761 28 1 . 1 1 7 7 ASP H H 7 9.044 9.044 7.654 1.390 25761 29 1 . 1 1 8 8 ILE N N 8 123.495 123.495 119.861 3.634 25761 30 1 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.695 0.026 25761 31 1 . 1 1 8 8 ILE CA C 8 60.975 60.975 63.514 -2.539 25761 32 1 . 1 1 8 8 ILE CB C 8 35.127 35.127 36.510 -1.383 25761 33 1 . 1 1 8 8 ILE H H 8 7.749 7.749 7.277 0.472 25761 34 1 . 1 1 9 9 TRP N N 9 124.446 124.446 119.556 4.890 25761 35 1 . 1 1 9 9 TRP HA H 9 3.844 3.844 4.366 -0.522 25761 36 1 . 1 1 9 9 TRP CA C 9 60.136 60.136 60.122 0.014 25761 37 1 . 1 1 9 9 TRP CB C 9 26.975 26.975 28.411 -1.436 25761 38 1 . 1 1 9 9 TRP H H 9 8.232 8.232 7.315 0.917 25761 39 1 . 1 1 10 10 VAL N N 10 121.207 121.207 120.083 1.124 25761 40 1 . 1 1 10 10 VAL HA H 10 3.165 3.165 3.570 -0.405 25761 41 1 . 1 1 10 10 VAL CA C 10 64.235 64.235 66.657 -2.422 25761 42 1 . 1 1 10 10 VAL CB C 10 29.016 29.016 30.902 -1.886 25761 43 1 . 1 1 10 10 VAL H H 10 9.240 9.240 7.796 1.444 25761 44 1 . 1 1 11 11 ALA N N 11 120.679 120.679 121.668 -0.989 25761 45 1 . 1 1 11 11 ALA HA H 11 3.849 3.849 3.974 -0.125 25761 46 1 . 1 1 11 11 ALA CA C 11 52.479 52.479 55.224 -2.745 25761 47 1 . 1 1 11 11 ALA CB C 11 15.145 15.145 18.045 -2.900 25761 48 1 . 1 1 11 11 ALA H H 11 7.718 7.718 8.184 -0.466 25761 49 1 . 1 1 12 12 ALA N N 12 120.217 120.217 121.573 -1.356 25761 50 1 . 1 1 12 12 ALA HA H 12 3.905 3.905 4.133 -0.228 25761 51 1 . 1 1 12 12 ALA CA C 12 51.996 51.996 54.598 -2.602 25761 52 1 . 1 1 12 12 ALA CB C 12 14.939 14.939 18.517 -3.578 25761 53 1 . 1 1 12 12 ALA H H 12 7.642 7.642 7.715 -0.073 25761 54 1 . 1 1 13 13 LEU N N 13 122.821 122.821 121.223 1.598 25761 55 1 . 1 1 13 13 LEU HA H 13 3.545 3.545 4.028 -0.483 25761 56 1 . 1 1 13 13 LEU CA C 13 55.541 55.541 57.972 -2.431 25761 57 1 . 1 1 13 13 LEU CB C 13 38.449 38.449 41.887 -3.438 25761 58 1 . 1 1 13 13 LEU H H 13 7.320 7.320 8.287 -0.967 25761 59 1 . 1 1 14 14 ILE N N 14 117.258 117.258 118.300 -1.042 25761 60 1 . 1 1 14 14 ILE HA H 14 3.052 3.052 3.576 -0.524 25761 61 1 . 1 1 14 14 ILE CA C 14 62.205 62.205 64.331 -2.127 25761 62 1 . 1 1 14 14 ILE CB C 14 34.777 34.777 36.482 -1.705 25761 63 1 . 1 1 14 14 ILE H H 14 8.105 8.105 8.366 -0.261 25761 64 1 . 1 1 15 15 ARG N N 15 117.921 117.921 119.487 -1.566 25761 65 1 . 1 1 15 15 ARG HA H 15 3.960 3.960 3.957 0.003 25761 66 1 . 1 1 15 15 ARG CA C 15 56.068 56.068 59.521 -3.453 25761 67 1 . 1 1 15 15 ARG CB C 15 27.302 27.302 29.823 -2.521 25761 68 1 . 1 1 15 15 ARG H H 15 7.574 7.574 7.833 -0.259 25761 69 1 . 1 1 16 16 ARG N N 16 118.635 118.635 118.789 -0.154 25761 70 1 . 1 1 16 16 ARG HA H 16 3.701 3.701 4.037 -0.336 25761 71 1 . 1 1 16 16 ARG CA C 16 57.654 57.654 58.705 -1.051 25761 72 1 . 1 1 16 16 ARG CB C 16 28.131 28.131 29.873 -1.742 25761 73 1 . 1 1 16 16 ARG H H 16 7.832 7.832 8.236 -0.404 25761 74 1 . 1 1 17 17 ALA N N 17 122.335 122.335 122.066 0.269 25761 75 1 . 1 1 17 17 ALA HA H 17 3.052 3.052 2.575 0.477 25761 76 1 . 1 1 17 17 ALA CA C 17 62.360 62.360 54.278 8.082 25761 77 1 . 1 1 17 17 ALA CB C 17 15.553 15.553 18.022 -2.469 25761 78 1 . 1 1 17 17 ALA H H 17 7.856 7.856 7.976 -0.120 25761 79 1 . 1 1 18 18 GLU N N 18 118.223 118.223 119.539 -1.316 25761 80 1 . 1 1 18 18 GLU HA H 18 3.991 3.991 4.147 -0.157 25761 81 1 . 1 1 18 18 GLU CA C 18 56.489 56.489 58.733 -2.244 25761 82 1 . 1 1 18 18 GLU CB C 18 26.786 26.786 29.472 -2.686 25761 83 1 . 1 1 18 18 GLU H H 18 8.303 8.303 7.864 0.439 25761 84 1 . 1 1 19 19 LEU N N 19 122.454 122.454 120.251 2.203 25761 85 1 . 1 1 19 19 LEU HA H 19 4.004 4.004 4.075 -0.071 25761 86 1 . 1 1 19 19 LEU CA C 19 54.857 54.857 56.979 -2.122 25761 87 1 . 1 1 19 19 LEU CB C 19 39.115 39.115 41.788 -2.673 25761 88 1 . 1 1 19 19 LEU H H 19 8.402 8.402 8.124 0.278 25761 89 1 . 1 1 20 20 GLY N N 20 105.446 105.446 104.610 0.836 25761 90 1 . 1 1 20 20 GLY CA C 20 42.743 42.743 45.036 -2.293 25761 91 1 . 1 1 20 20 GLY H H 20 7.468 7.468 7.605 -0.137 25761 92 1 . 1 1 21 21 GLY N N 21 107.714 107.714 108.322 -0.608 25761 93 1 . 1 1 21 21 GLY CA C 21 42.627 42.627 44.787 -2.160 25761 94 1 . 1 1 21 21 GLY H H 21 7.754 7.754 7.692 0.062 25761 95 1 . 1 1 22 22 ALA N N 22 123.725 123.725 122.249 1.476 25761 96 1 . 1 1 22 22 ALA HA H 22 4.664 4.664 4.595 0.069 25761 97 1 . 1 1 22 22 ALA CA C 22 48.238 48.238 51.194 -2.956 25761 98 1 . 1 1 22 22 ALA CB C 22 19.283 19.283 21.184 -1.901 25761 99 1 . 1 1 22 22 ALA H H 22 8.012 8.012 7.423 0.589 25761 100 1 . 1 1 23 23 PHE N N 23 117.564 117.564 120.755 -3.191 25761 101 1 . 1 1 23 23 PHE HA H 23 4.839 4.839 4.726 0.113 25761 102 1 . 1 1 23 23 PHE CA C 23 53.762 53.762 57.147 -3.385 25761 103 1 . 1 1 23 23 PHE CB C 23 38.656 38.656 41.295 -2.639 25761 104 1 . 1 1 23 23 PHE H H 23 8.128 8.128 8.239 -0.111 25761 105 1 . 1 1 24 24 ALA N N 24 128.638 128.638 128.635 0.003 25761 106 1 . 1 1 24 24 ALA HA H 24 5.452 5.452 5.379 0.073 25761 107 1 . 1 1 24 24 ALA CA C 24 47.511 47.511 50.856 -3.345 25761 108 1 . 1 1 24 24 ALA CB C 24 21.378 21.378 22.110 -0.732 25761 109 1 . 1 1 24 24 ALA H H 24 8.542 8.542 7.968 0.574 25761 110 1 . 1 1 25 25 THR N N 25 115.207 115.207 114.205 1.002 25761 111 1 . 1 1 25 25 THR HA H 25 4.394 4.394 4.453 -0.059 25761 112 1 . 1 1 25 25 THR CA C 25 57.830 57.830 61.419 -3.589 25761 113 1 . 1 1 25 25 THR CB C 25 69.095 69.095 70.954 -1.859 25761 114 1 . 1 1 25 25 THR H H 25 9.003 9.003 8.452 0.551 25761 115 1 . 1 1 26 26 VAL N N 26 125.712 125.712 123.133 2.579 25761 116 1 . 1 1 26 26 VAL HA H 26 4.182 4.182 4.729 -0.547 25761 117 1 . 1 1 26 26 VAL CA C 26 60.486 60.486 61.281 -0.795 25761 118 1 . 1 1 26 26 VAL CB C 26 28.548 28.548 32.990 -4.442 25761 119 1 . 1 1 26 26 VAL H H 26 8.739 8.739 8.434 0.305 25761 120 1 . 1 1 27 27 ALA N N 27 134.206 134.206 131.589 2.617 25761 121 1 . 1 1 27 27 ALA HA H 27 4.245 4.245 4.441 -0.196 25761 122 1 . 1 1 27 27 ALA CA C 27 50.742 50.742 52.438 -1.696 25761 123 1 . 1 1 27 27 ALA CB C 27 16.531 16.531 20.129 -3.598 25761 124 1 . 1 1 27 27 ALA H H 27 8.412 8.412 9.039 -0.627 25761 125 1 . 1 1 28 28 ARG N N 28 117.751 117.751 118.610 -0.859 25761 126 1 . 1 1 28 28 ARG HA H 28 4.208 4.208 4.445 -0.237 25761 127 1 . 1 1 28 28 ARG CA C 28 53.658 53.658 55.597 -1.939 25761 128 1 . 1 1 28 28 ARG CB C 28 31.000 31.000 33.628 -2.628 25761 129 1 . 1 1 28 28 ARG H H 28 8.090 8.090 7.554 0.536 25761 130 1 . 1 1 29 29 LYS N N 29 128.417 128.417 124.046 4.371 25761 131 1 . 1 1 29 29 LYS HA H 29 3.109 3.109 3.351 -0.242 25761 132 1 . 1 1 29 29 LYS CA C 29 52.792 52.792 54.457 -1.665 25761 133 1 . 1 1 29 29 LYS CB C 29 30.289 30.289 33.205 -2.916 25761 134 1 . 1 1 29 29 LYS H H 29 8.536 8.536 8.348 0.188 25761 135 1 . 1 1 30 30 GLY CA C 30 40.858 40.858 43.788 -2.930 25761 136 1 . 1 1 31 31 ASP N N 31 120.477 120.477 121.002 -0.525 25761 137 1 . 1 1 31 31 ASP HA H 31 4.504 4.504 4.573 -0.069 25761 138 1 . 1 1 31 31 ASP CA C 31 52.637 52.637 54.812 -2.175 25761 139 1 . 1 1 31 31 ASP CB C 31 40.350 40.350 41.791 -1.441 25761 140 1 . 1 1 31 31 ASP H H 31 8.445 8.445 8.256 0.189 25761 141 1 . 1 1 32 32 ALA N N 32 133.865 133.865 128.341 5.524 25761 142 1 . 1 1 32 32 ALA HA H 32 4.369 4.369 4.377 -0.008 25761 143 1 . 1 1 32 32 ALA CA C 32 53.287 53.287 54.833 -1.546 25761 144 1 . 1 1 32 32 ALA CB C 32 17.055 17.055 19.027 -1.972 25761 145 1 . 1 1 32 32 ALA H H 32 9.236 9.236 8.952 0.284 25761 146 1 . 1 1 33 33 ARG N N 33 113.991 113.991 116.780 -2.789 25761 147 1 . 1 1 33 33 ARG HA H 33 4.414 4.414 4.282 0.132 25761 148 1 . 1 1 33 33 ARG CA C 33 55.785 55.785 57.895 -2.110 25761 149 1 . 1 1 33 33 ARG CB C 33 28.183 28.183 31.598 -3.415 25761 150 1 . 1 1 33 33 ARG H H 33 7.913 7.913 8.597 -0.684 25761 151 1 . 1 1 34 34 ALA N N 34 120.593 120.593 120.373 0.220 25761 152 1 . 1 1 34 34 ALA HA H 34 4.674 4.674 4.634 0.040 25761 153 1 . 1 1 34 34 ALA CA C 34 48.536 48.536 51.034 -2.498 25761 154 1 . 1 1 34 34 ALA CB C 34 17.814 17.814 19.823 -2.009 25761 155 1 . 1 1 34 34 ALA H H 34 8.306 8.306 7.989 0.317 25761 156 1 . 1 1 35 35 GLY N N 35 107.349 107.349 108.248 -0.899 25761 157 1 . 1 1 35 35 GLY CA C 35 44.450 44.450 44.525 -0.075 25761 158 1 . 1 1 35 35 GLY H H 35 7.715 7.715 7.757 -0.042 25761 159 1 . 1 1 36 36 ALA N N 36 127.073 127.073 126.523 0.550 25761 160 1 . 1 1 36 36 ALA HA H 36 4.358 4.358 4.794 -0.436 25761 161 1 . 1 1 36 36 ALA CA C 36 49.141 49.141 51.639 -2.498 25761 162 1 . 1 1 36 36 ALA CB C 36 16.967 16.967 20.496 -3.529 25761 163 1 . 1 1 36 36 ALA H H 36 8.935 8.935 8.212 0.723 25761 164 1 . 1 1 37 37 VAL N N 37 116.903 116.903 117.991 -1.088 25761 165 1 . 1 1 37 37 VAL HA H 37 4.749 4.749 5.026 -0.277 25761 166 1 . 1 1 37 37 VAL CB C 37 33.582 33.582 35.581 -1.999 25761 167 1 . 1 1 37 37 VAL H H 37 7.830 7.830 8.404 -0.574 25761 168 1 . 1 1 38 38 LEU N N 38 126.366 126.366 125.789 0.577 25761 169 1 . 1 1 38 38 LEU HA H 38 5.531 5.531 5.199 0.332 25761 170 1 . 1 1 38 38 LEU CA C 38 50.875 50.875 53.505 -2.630 25761 171 1 . 1 1 38 38 LEU CB C 38 41.970 41.970 44.614 -2.644 25761 172 1 . 1 1 38 38 LEU H H 38 8.926 8.926 8.811 0.115 25761 173 1 . 1 1 39 39 VAL N N 39 121.843 121.843 122.341 -0.498 25761 174 1 . 1 1 39 39 VAL HA H 39 4.879 4.879 4.656 0.223 25761 175 1 . 1 1 39 39 VAL CA C 39 58.343 58.343 60.997 -2.654 25761 176 1 . 1 1 39 39 VAL CB C 39 32.192 32.192 32.768 -0.576 25761 177 1 . 1 1 39 39 VAL H H 39 8.819 8.819 8.937 -0.119 25761 178 1 . 1 1 40 40 LYS N N 40 129.592 129.592 128.324 1.268 25761 179 1 . 1 1 40 40 LYS HA H 40 5.279 5.279 4.671 0.608 25761 180 1 . 1 1 40 40 LYS CA C 40 47.991 47.991 54.941 -6.950 25761 181 1 . 1 1 40 40 LYS CB C 40 31.682 31.682 34.928 -3.246 25761 182 1 . 1 1 40 40 LYS H H 40 9.438 9.438 8.644 0.794 25761 183 1 . 1 1 41 41 ALA N N 41 131.659 131.659 129.055 2.604 25761 184 1 . 1 1 41 41 ALA HA H 41 5.249 5.249 5.229 0.020 25761 185 1 . 1 1 41 41 ALA CA C 41 51.816 51.816 50.531 1.285 25761 186 1 . 1 1 41 41 ALA CB C 41 17.645 17.645 21.948 -4.303 25761 187 1 . 1 1 41 41 ALA H H 41 9.349 9.349 8.593 0.756 25761 188 1 . 1 1 42 42 VAL N N 42 127.668 127.668 122.331 5.337 25761 189 1 . 1 1 42 42 VAL HA H 42 4.269 4.269 4.256 0.013 25761 190 1 . 1 1 42 42 VAL CA C 42 59.621 59.621 61.654 -2.033 25761 191 1 . 1 1 42 42 VAL CB C 42 31.878 31.878 34.460 -2.582 25761 192 1 . 1 1 42 42 VAL H H 42 9.517 9.517 8.523 0.994 25761 193 1 . 1 1 43 43 ASP N N 43 127.524 127.524 126.615 0.909 25761 194 1 . 1 1 43 43 ASP HA H 43 4.886 4.886 5.076 -0.190 25761 195 1 . 1 1 43 43 ASP CA C 43 49.630 49.630 53.227 -3.597 25761 196 1 . 1 1 43 43 ASP CB C 43 38.527 38.527 41.157 -2.630 25761 197 1 . 1 1 43 43 ASP H H 43 8.821 8.821 8.655 0.167 25761 198 1 . 1 1 44 44 ARG N N 44 123.676 123.676 124.379 -0.703 25761 199 1 . 1 1 44 44 ARG HA H 44 4.095 4.095 4.203 -0.108 25761 200 1 . 1 1 44 44 ARG CA C 44 54.671 54.671 57.032 -2.361 25761 201 1 . 1 1 44 44 ARG CB C 44 28.094 28.094 30.021 -1.927 25761 202 1 . 1 1 44 44 ARG H H 44 8.435 8.435 8.435 0.000 25761 203 1 . 1 1 45 45 ARG N N 45 120.486 120.486 119.318 1.168 25761 204 1 . 1 1 45 45 ARG HA H 45 4.131 4.131 4.259 -0.128 25761 205 1 . 1 1 45 45 ARG CA C 45 56.607 56.607 58.312 -1.705 25761 206 1 . 1 1 45 45 ARG CB C 45 28.064 28.064 30.685 -2.621 25761 207 1 . 1 1 45 45 ARG H H 45 8.551 8.551 8.231 0.320 25761 208 1 . 1 1 46 46 GLU N N 46 116.189 116.189 117.054 -0.865 25761 209 1 . 1 1 46 46 GLU HA H 46 4.253 4.253 4.339 -0.086 25761 210 1 . 1 1 46 46 GLU CA C 46 53.438 53.438 56.504 -3.067 25761 211 1 . 1 1 46 46 GLU CB C 46 28.616 28.616 30.506 -1.890 25761 212 1 . 1 1 46 46 GLU H H 46 7.918 7.918 8.454 -0.536 25761 213 1 . 1 1 47 47 GLY N N 47 108.218 108.218 109.055 -0.837 25761 214 1 . 1 1 47 47 GLY CA C 47 43.970 43.970 45.514 -1.544 25761 215 1 . 1 1 47 47 GLY H H 47 8.159 8.159 8.327 -0.168 25761 216 1 . 1 1 48 48 THR N N 48 109.683 109.683 111.607 -1.924 25761 217 1 . 1 1 48 48 THR HA H 48 4.639 4.639 4.444 0.195 25761 218 1 . 1 1 48 48 THR CA C 48 57.215 57.215 60.525 -3.310 25761 219 1 . 1 1 48 48 THR CB C 48 69.275 69.275 70.438 -1.163 25761 220 1 . 1 1 48 48 THR H H 48 7.485 7.485 7.521 -0.036 25761 221 1 . 1 1 49 49 ALA N N 49 122.571 122.571 122.628 -0.057 25761 222 1 . 1 1 49 49 ALA HA H 49 5.156 5.156 4.847 0.309 25761 223 1 . 1 1 49 49 ALA CA C 49 48.011 48.011 51.283 -3.273 25761 224 1 . 1 1 49 49 ALA CB C 49 21.004 21.004 22.093 -1.089 25761 225 1 . 1 1 49 49 ALA H H 49 8.530 8.530 8.353 0.177 25761 226 1 . 1 1 50 50 ARG N N 50 115.654 115.654 118.686 -3.032 25761 227 1 . 1 1 50 50 ARG HA H 50 4.640 4.640 4.663 -0.023 25761 228 1 . 1 1 50 50 ARG CA C 50 51.506 51.506 54.307 -2.801 25761 229 1 . 1 1 50 50 ARG CB C 50 33.832 33.832 34.269 -0.437 25761 230 1 . 1 1 50 50 ARG H H 50 8.168 8.168 8.553 -0.385 25761 231 1 . 1 1 51 51 LEU N N 51 122.400 122.400 121.271 1.129 25761 232 1 . 1 1 51 51 LEU HA H 51 5.274 5.274 4.470 0.804 25761 233 1 . 1 1 51 51 LEU CA C 51 50.376 50.376 54.026 -3.650 25761 234 1 . 1 1 51 51 LEU CB C 51 44.159 44.159 45.317 -1.158 25761 235 1 . 1 1 51 51 LEU H H 51 8.213 8.213 8.206 0.007 25761 236 1 . 1 1 52 52 PHE N N 52 124.579 124.579 122.280 2.299 25761 237 1 . 1 1 52 52 PHE HA H 52 5.550 5.550 5.567 -0.017 25761 238 1 . 1 1 52 52 PHE CA C 52 53.674 53.674 55.870 -2.196 25761 239 1 . 1 1 52 52 PHE CB C 52 40.619 40.619 42.611 -1.992 25761 240 1 . 1 1 52 52 PHE H H 52 9.546 9.546 8.904 0.642 25761 241 1 . 1 1 53 53 SER N N 53 115.953 115.953 115.854 0.099 25761 242 1 . 1 1 53 53 SER HA H 53 5.267 5.267 5.407 -0.140 25761 243 1 . 1 1 53 53 SER CA C 53 53.513 53.513 56.575 -3.062 25761 244 1 . 1 1 53 53 SER CB C 53 64.255 64.255 66.451 -2.196 25761 245 1 . 1 1 53 53 SER H H 53 9.727 9.727 9.081 0.646 25761 246 1 . 1 1 54 54 GLU N N 54 124.987 124.987 124.423 0.564 25761 247 1 . 1 1 54 54 GLU HA H 54 3.608 3.608 4.287 -0.679 25761 248 1 . 1 1 54 54 GLU CA C 54 53.317 53.317 55.695 -2.378 25761 249 1 . 1 1 54 54 GLU CB C 54 32.677 32.677 30.228 2.449 25761 250 1 . 1 1 54 54 GLU H H 54 8.431 8.431 8.172 0.259 25761 251 1 . 1 1 55 55 ALA N N 55 127.789 127.789 123.545 4.244 25761 252 1 . 1 1 55 55 ALA HA H 55 4.260 4.260 4.451 -0.191 25761 253 1 . 1 1 55 55 ALA CA C 55 48.005 48.005 51.137 -3.132 25761 254 1 . 1 1 55 55 ALA CB C 55 19.682 19.682 21.202 -1.520 25761 255 1 . 1 1 55 55 ALA H H 55 8.430 8.430 7.650 0.780 25761 256 1 . 1 1 56 56 THR N N 56 111.341 111.341 111.899 -0.557 25761 257 1 . 1 1 56 56 THR HA H 56 5.038 5.038 5.237 -0.199 25761 258 1 . 1 1 56 56 THR CA C 56 58.078 58.078 60.371 -2.293 25761 259 1 . 1 1 56 56 THR CB C 56 68.505 68.505 71.606 -3.101 25761 260 1 . 1 1 56 56 THR H H 56 7.923 7.923 8.014 -0.091 25761 261 1 . 1 1 57 57 ARG N N 57 124.295 124.295 122.722 1.573 25761 262 1 . 1 1 57 57 ARG HA H 57 4.587 4.587 4.639 -0.052 25761 263 1 . 1 1 57 57 ARG CA C 57 52.325 52.325 55.528 -3.203 25761 264 1 . 1 1 57 57 ARG CB C 57 29.667 29.667 30.896 -1.229 25761 265 1 . 1 1 57 57 ARG H H 57 9.054 9.054 8.812 0.242 25761 266 1 . 1 1 58 58 GLY N N 58 109.220 109.220 108.101 1.119 25761 267 1 . 1 1 58 58 GLY CA C 58 44.596 44.596 46.164 -1.568 25761 268 1 . 1 1 58 58 GLY H H 58 8.706 8.706 8.701 0.005 25761 269 1 . 1 1 59 59 ASP N N 59 120.555 120.555 120.510 0.045 25761 270 1 . 1 1 59 59 ASP HA H 59 4.586 4.586 4.669 -0.083 25761 271 1 . 1 1 59 59 ASP CA C 59 50.369 50.369 53.351 -2.982 25761 272 1 . 1 1 59 59 ASP CB C 59 37.397 37.397 40.957 -3.560 25761 273 1 . 1 1 59 59 ASP H H 59 8.194 8.194 7.844 0.351 25761 274 1 . 1 1 60 60 GLY N N 60 107.833 107.833 108.319 -0.486 25761 275 1 . 1 1 60 60 GLY CA C 60 42.913 42.913 45.387 -2.474 25761 276 1 . 1 1 60 60 GLY H H 60 7.999 7.999 7.895 0.104 25761 277 1 . 1 1 61 61 GLU N N 61 121.205 121.205 119.906 1.299 25761 278 1 . 1 1 61 61 GLU HA H 61 4.186 4.186 4.296 -0.110 25761 279 1 . 1 1 61 61 GLU CA C 61 53.994 53.994 55.625 -1.631 25761 280 1 . 1 1 61 61 GLU CB C 61 27.931 27.931 30.470 -2.539 25761 281 1 . 1 1 61 61 GLU H H 61 7.910 7.910 8.214 -0.304 25761 282 1 . 1 1 62 62 ARG N N 62 125.261 125.261 127.255 -1.994 25761 283 1 . 1 1 62 62 ARG HA H 62 4.812 4.812 4.849 -0.037 25761 284 1 . 1 1 62 62 ARG CA C 62 52.887 52.887 56.331 -3.444 25761 285 1 . 1 1 62 62 ARG CB C 62 28.918 28.918 31.615 -2.697 25761 286 1 . 1 1 62 62 ARG H H 62 8.219 8.219 8.405 -0.186 25761 287 1 . 1 1 63 63 PHE N N 63 120.777 120.777 118.671 2.106 25761 288 1 . 1 1 63 63 PHE HA H 63 4.879 4.879 4.716 0.163 25761 289 1 . 1 1 63 63 PHE CA C 63 52.800 52.800 55.387 -2.587 25761 290 1 . 1 1 63 63 PHE CB C 63 39.163 39.163 40.648 -1.485 25761 291 1 . 1 1 63 63 PHE H H 63 8.431 8.431 8.057 0.374 25761 292 1 . 1 1 64 64 TRP N N 64 119.550 119.550 121.145 -1.595 25761 293 1 . 1 1 64 64 TRP HA H 64 5.026 5.026 5.193 -0.167 25761 294 1 . 1 1 64 64 TRP CA C 64 53.189 53.189 55.642 -2.453 25761 295 1 . 1 1 64 64 TRP CB C 64 29.883 29.883 30.324 -0.441 25761 296 1 . 1 1 64 64 TRP H H 64 8.914 8.914 8.383 0.531 25761 297 1 . 1 1 65 65 MET N N 65 118.324 118.324 121.196 -2.872 25761 298 1 . 1 1 65 65 MET HA H 65 5.156 5.156 5.142 0.014 25761 299 1 . 1 1 65 65 MET CA C 65 50.438 50.438 54.394 -3.955 25761 300 1 . 1 1 65 65 MET CB C 65 32.296 32.296 35.029 -2.733 25761 301 1 . 1 1 65 65 MET H H 65 9.282 9.282 8.837 0.445 25761 302 1 . 1 1 66 66 GLN N N 66 119.469 119.469 118.724 0.745 25761 303 1 . 1 1 66 66 GLN HA H 66 5.514 5.514 4.934 0.580 25761 304 1 . 1 1 66 66 GLN CA C 66 49.965 49.965 52.665 -2.700 25761 305 1 . 1 1 66 66 GLN CB C 66 28.500 28.500 28.449 0.051 25761 306 1 . 1 1 66 66 GLN H H 66 8.785 8.785 8.757 0.028 25761 307 1 . 1 1 67 67 PRO HA H 67 4.121 4.121 4.371 -0.250 25761 308 1 . 1 1 67 67 PRO CA C 67 60.866 60.866 63.600 -2.734 25761 309 1 . 1 1 67 67 PRO CB C 67 30.037 30.037 32.090 -2.053 25761 310 1 . 1 1 68 68 VAL N N 68 119.433 119.433 120.461 -1.028 25761 311 1 . 1 1 68 68 VAL HA H 68 3.959 3.959 4.114 -0.155 25761 312 1 . 1 1 68 68 VAL CA C 68 57.834 57.834 61.382 -3.548 25761 313 1 . 1 1 68 68 VAL CB C 68 31.032 31.032 32.045 -1.013 25761 314 1 . 1 1 68 68 VAL H H 68 8.464 8.464 7.611 0.853 25761 315 1 . 1 1 69 69 ARG N N 69 127.119 127.119 128.293 -1.174 25761 316 1 . 1 1 69 69 ARG HA H 69 4.336 4.336 4.363 -0.027 25761 317 1 . 1 1 69 69 ARG CA C 69 51.812 51.812 55.888 -4.076 25761 318 1 . 1 1 69 69 ARG CB C 69 25.923 25.923 28.669 -2.746 25761 319 1 . 1 1 69 69 ARG H H 69 8.519 8.519 8.704 -0.185 25761 320 1 . 1 1 70 70 SER N N 70 115.574 115.574 115.010 0.564 25761 321 1 . 1 1 70 70 SER HA H 70 4.598 4.598 4.661 -0.063 25761 322 1 . 1 1 70 70 SER CA C 70 54.127 54.127 57.232 -3.105 25761 323 1 . 1 1 70 70 SER CB C 70 62.189 62.189 64.623 -2.434 25761 324 1 . 1 1 70 70 SER H H 70 7.955 7.955 7.834 0.122 25761 325 1 . 1 1 71 71 THR N N 71 114.592 114.592 115.036 -0.444 25761 326 1 . 1 1 71 71 THR HA H 71 5.244 5.244 4.541 0.703 25761 327 1 . 1 1 71 71 THR CA C 71 58.147 58.147 61.373 -3.226 25761 328 1 . 1 1 71 71 THR CB C 71 66.895 66.895 69.333 -2.438 25761 329 1 . 1 1 71 71 THR H H 71 8.285 8.285 8.368 -0.083 25761 330 1 . 1 1 72 72 PHE N N 72 125.101 125.101 123.066 2.035 25761 331 1 . 1 1 72 72 PHE HA H 72 4.941 4.941 4.460 0.481 25761 332 1 . 1 1 72 72 PHE CA C 72 53.135 53.135 57.559 -4.424 25761 333 1 . 1 1 72 72 PHE CB C 72 36.931 36.931 39.728 -2.797 25761 334 1 . 1 1 72 72 PHE H H 72 8.649 8.649 7.734 0.915 25761 335 1 . 1 1 73 73 GLU N N 73 129.014 129.014 126.053 2.961 25761 336 1 . 1 1 73 73 GLU HA H 73 3.551 3.551 4.006 -0.455 25761 337 1 . 1 1 73 73 GLU CA C 73 59.415 59.415 61.504 -2.089 25761 338 1 . 1 1 73 73 GLU CB C 73 33.892 33.892 28.072 5.820 25761 339 1 . 1 1 73 73 GLU H H 73 9.018 9.018 9.025 -0.007 25761 340 1 . 1 1 74 74 PRO CB C 74 29.097 29.097 31.157 -2.060 25761 341 1 . 1 1 75 75 ASP N N 75 116.246 116.246 119.584 -3.338 25761 342 1 . 1 1 75 75 ASP HA H 75 4.450 4.450 4.624 -0.174 25761 343 1 . 1 1 75 75 ASP CA C 75 54.550 54.550 56.501 -1.952 25761 344 1 . 1 1 75 75 ASP CB C 75 37.741 37.741 41.071 -3.330 25761 345 1 . 1 1 75 75 ASP H H 75 7.493 7.493 7.991 -0.498 25761 346 1 . 1 1 76 76 LEU N N 76 121.503 121.503 120.357 1.146 25761 347 1 . 1 1 76 76 LEU HA H 76 3.986 3.986 4.088 -0.102 25761 348 1 . 1 1 76 76 LEU CA C 76 54.244 54.244 57.822 -3.578 25761 349 1 . 1 1 76 76 LEU CB C 76 37.239 37.239 42.064 -4.825 25761 350 1 . 1 1 76 76 LEU H H 76 7.651 7.651 7.869 -0.218 25761 351 1 . 1 1 77 77 ASP N N 77 120.554 120.554 119.204 1.350 25761 352 1 . 1 1 77 77 ASP HA H 77 4.291 4.291 4.376 -0.085 25761 353 1 . 1 1 77 77 ASP CA C 77 54.695 54.695 57.285 -2.589 25761 354 1 . 1 1 77 77 ASP CB C 77 37.194 37.194 40.907 -3.713 25761 355 1 . 1 1 77 77 ASP H H 77 8.117 8.117 8.288 -0.171 25761 356 1 . 1 1 78 78 ALA N N 78 121.953 121.953 121.747 0.206 25761 357 1 . 1 1 78 78 ALA HA H 78 4.143 4.143 4.120 0.023 25761 358 1 . 1 1 78 78 ALA CA C 78 52.370 52.370 54.650 -2.280 25761 359 1 . 1 1 78 78 ALA CB C 78 15.399 15.399 18.305 -2.906 25761 360 1 . 1 1 78 78 ALA H H 78 7.904 7.904 7.908 -0.004 25761 361 1 . 1 1 79 79 TYR N N 79 119.746 119.746 120.348 -0.602 25761 362 1 . 1 1 79 79 TYR HA H 79 3.889 3.889 4.035 -0.146 25761 363 1 . 1 1 79 79 TYR CA C 79 59.385 59.385 61.994 -2.609 25761 364 1 . 1 1 79 79 TYR CB C 79 35.811 35.811 38.263 -2.452 25761 365 1 . 1 1 79 79 TYR H H 79 7.422 7.422 8.151 -0.729 25761 366 1 . 1 1 80 80 ALA N N 80 122.107 122.107 119.310 2.797 25761 367 1 . 1 1 80 80 ALA HA H 80 3.770 3.770 4.049 -0.279 25761 368 1 . 1 1 80 80 ALA CA C 80 52.530 52.530 54.922 -2.392 25761 369 1 . 1 1 80 80 ALA CB C 80 15.378 15.378 18.126 -2.748 25761 370 1 . 1 1 80 80 ALA H H 80 8.376 8.376 8.086 0.290 25761 371 1 . 1 1 81 81 GLU N N 81 118.620 118.620 118.479 0.141 25761 372 1 . 1 1 81 81 GLU HA H 81 3.844 3.844 4.058 -0.214 25761 373 1 . 1 1 81 81 GLU CA C 81 56.713 56.713 58.843 -2.130 25761 374 1 . 1 1 81 81 GLU CB C 81 26.879 26.879 29.660 -2.781 25761 375 1 . 1 1 81 81 GLU H H 81 8.149 8.149 7.627 0.522 25761 376 1 . 1 1 82 82 ARG N N 82 120.032 120.032 119.456 0.576 25761 377 1 . 1 1 82 82 ARG HA H 82 3.748 3.748 4.051 -0.303 25761 378 1 . 1 1 82 82 ARG CA C 82 56.787 56.787 58.733 -1.946 25761 379 1 . 1 1 82 82 ARG CB C 82 25.153 25.153 30.349 -5.196 25761 380 1 . 1 1 82 82 ARG H H 82 7.535 7.535 8.078 -0.543 25761 381 1 . 1 1 83 83 ALA N N 83 122.089 122.089 121.093 0.996 25761 382 1 . 1 1 83 83 ALA HA H 83 3.708 3.708 3.942 -0.234 25761 383 1 . 1 1 83 83 ALA CA C 83 52.325 52.325 54.830 -2.505 25761 384 1 . 1 1 83 83 ALA CB C 83 15.669 15.669 18.346 -2.677 25761 385 1 . 1 1 83 83 ALA H H 83 8.467 8.467 8.226 0.241 25761 386 1 . 1 1 84 84 ALA N N 84 118.529 118.529 117.978 0.551 25761 387 1 . 1 1 84 84 ALA HA H 84 4.242 4.242 4.311 -0.069 25761 388 1 . 1 1 84 84 ALA CA C 84 49.989 49.989 53.005 -3.016 25761 389 1 . 1 1 84 84 ALA CB C 84 15.181 15.181 18.238 -3.057 25761 390 1 . 1 1 84 84 ALA H H 84 7.517 7.517 7.729 -0.212 25761 391 1 . 1 1 85 85 ARG N N 85 117.478 117.478 116.968 0.510 25761 392 1 . 1 1 85 85 ARG HA H 85 3.987 3.987 4.328 -0.341 25761 393 1 . 1 1 85 85 ARG CA C 85 55.691 55.691 57.496 -1.805 25761 394 1 . 1 1 85 85 ARG CB C 85 27.586 27.586 31.125 -3.539 25761 395 1 . 1 1 85 85 ARG H H 85 7.278 7.278 7.705 -0.426 25761 396 1 . 1 1 86 86 ILE N N 86 118.079 118.079 118.433 -0.354 25761 397 1 . 1 1 86 86 ILE HA H 86 3.747 3.747 4.175 -0.428 25761 398 1 . 1 1 86 86 ILE CA C 86 60.531 60.531 61.790 -1.259 25761 399 1 . 1 1 86 86 ILE CB C 86 36.213 36.213 39.659 -3.446 25761 400 1 . 1 1 86 86 ILE H H 86 7.286 7.286 7.648 -0.362 25761 401 1 . 1 1 87 87 ASP N N 87 117.833 117.833 121.807 -3.974 25761 402 1 . 1 1 87 87 ASP HA H 87 4.980 4.980 4.858 0.122 25761 403 1 . 1 1 87 87 ASP CA C 87 47.642 47.642 53.264 -5.622 25761 404 1 . 1 1 87 87 ASP CB C 87 39.176 39.176 41.621 -2.445 25761 405 1 . 1 1 87 87 ASP H H 87 7.973 7.973 7.898 0.075 25761 406 1 . 1 1 88 88 PRO HA H 88 4.641 4.641 4.377 0.264 25761 407 1 . 1 1 88 88 PRO CA C 88 60.549 60.549 64.171 -3.622 25761 408 1 . 1 1 88 88 PRO CB C 88 29.559 29.559 32.275 -2.716 25761 409 1 . 1 1 89 89 ASP N N 89 120.189 120.189 117.752 2.437 25761 410 1 . 1 1 89 89 ASP HA H 89 4.686 4.686 4.741 -0.055 25761 411 1 . 1 1 89 89 ASP CB C 89 39.373 39.373 41.287 -1.914 25761 412 1 . 1 1 89 89 ASP H H 89 7.960 7.960 8.397 -0.437 25761 413 1 . 1 1 90 90 ILE N N 90 120.372 120.372 121.632 -1.260 25761 414 1 . 1 1 90 90 ILE HA H 90 4.555 4.555 4.586 -0.031 25761 415 1 . 1 1 90 90 ILE CA C 90 60.022 60.022 60.262 -0.240 25761 416 1 . 1 1 90 90 ILE CB C 90 38.198 38.198 40.168 -1.970 25761 417 1 . 1 1 90 90 ILE H H 90 7.234 7.234 7.922 -0.688 25761 418 1 . 1 1 91 91 TRP N N 91 122.596 122.596 126.777 -4.181 25761 419 1 . 1 1 91 91 TRP HA H 91 4.889 4.889 4.921 -0.032 25761 420 1 . 1 1 91 91 TRP CA C 91 52.667 52.667 56.478 -3.811 25761 421 1 . 1 1 91 91 TRP CB C 91 28.630 28.630 31.427 -2.797 25761 422 1 . 1 1 91 91 TRP H H 91 9.295 9.295 9.020 0.275 25761 423 1 . 1 1 92 92 VAL N N 92 118.958 118.958 121.609 -2.651 25761 424 1 . 1 1 92 92 VAL HA H 92 5.148 5.148 4.565 0.583 25761 425 1 . 1 1 92 92 VAL CA C 92 59.397 59.397 61.729 -2.332 25761 426 1 . 1 1 92 92 VAL CB C 92 31.825 31.825 33.844 -2.019 25761 427 1 . 1 1 92 92 VAL H H 92 9.040 9.040 8.513 0.527 25761 428 1 . 1 1 93 93 VAL N N 93 129.129 129.129 127.844 1.285 25761 429 1 . 1 1 93 93 VAL HA H 93 4.769 4.769 4.768 0.001 25761 430 1 . 1 1 93 93 VAL CA C 93 57.315 57.315 61.067 -3.752 25761 431 1 . 1 1 93 93 VAL CB C 93 32.548 32.548 33.756 -1.208 25761 432 1 . 1 1 93 93 VAL H H 93 9.201 9.201 8.944 0.257 25761 433 1 . 1 1 94 94 GLU N N 94 126.192 126.192 127.405 -1.214 25761 434 1 . 1 1 94 94 GLU HA H 94 5.412 5.412 4.968 0.444 25761 435 1 . 1 1 94 94 GLU CA C 94 51.764 51.764 54.741 -2.977 25761 436 1 . 1 1 94 94 GLU CB C 94 29.584 29.584 31.721 -2.137 25761 437 1 . 1 1 94 94 GLU H H 94 9.161 9.161 8.714 0.447 25761 438 1 . 1 1 95 95 ILE N N 95 125.285 125.285 125.857 -0.572 25761 439 1 . 1 1 95 95 ILE HA H 95 4.771 4.771 4.562 0.209 25761 440 1 . 1 1 95 95 ILE CA C 95 57.319 57.319 59.162 -1.843 25761 441 1 . 1 1 95 95 ILE CB C 95 38.475 38.475 38.457 0.018 25761 442 1 . 1 1 95 95 ILE H H 95 9.347 9.347 8.646 0.701 25761 443 1 . 1 1 96 96 GLU N N 96 128.539 128.539 128.265 0.274 25761 444 1 . 1 1 96 96 GLU HA H 96 5.155 5.155 4.678 0.477 25761 445 1 . 1 1 96 96 GLU CA C 96 52.551 52.551 55.840 -3.289 25761 446 1 . 1 1 96 96 GLU CB C 96 29.061 29.061 30.740 -1.680 25761 447 1 . 1 1 96 96 GLU H H 96 9.390 9.390 8.802 0.588 25761 448 1 . 1 1 97 97 ASP N N 97 123.516 123.516 124.135 -0.619 25761 449 1 . 1 1 97 97 ASP HA H 97 5.319 5.319 4.986 0.333 25761 450 1 . 1 1 97 97 ASP CA C 97 50.769 50.769 52.475 -1.706 25761 451 1 . 1 1 97 97 ASP CB C 97 45.837 45.837 43.822 2.015 25761 452 1 . 1 1 97 97 ASP H H 97 8.582 8.582 8.277 0.305 25761 453 1 . 1 1 98 98 ARG N N 98 127.597 127.597 120.561 7.036 25761 454 1 . 1 1 98 98 ARG HA H 98 4.071 4.071 4.211 -0.140 25761 455 1 . 1 1 98 98 ARG CA C 98 56.486 56.486 58.823 -2.337 25761 456 1 . 1 1 98 98 ARG CB C 98 27.570 27.570 30.675 -3.105 25761 457 1 . 1 1 98 98 ARG H H 98 8.914 8.914 8.687 0.227 25761 458 1 . 1 1 99 99 ASP N N 99 115.196 115.196 117.575 -2.379 25761 459 1 . 1 1 99 99 ASP HA H 99 4.978 4.978 4.683 0.295 25761 460 1 . 1 1 99 99 ASP CA C 99 51.008 51.008 53.538 -2.530 25761 461 1 . 1 1 99 99 ASP CB C 99 39.782 39.782 40.574 -0.792 25761 462 1 . 1 1 99 99 ASP H H 99 7.379 7.379 8.239 -0.860 25761 463 1 . 1 1 100 100 GLY N N 100 106.976 106.976 107.972 -0.996 25761 464 1 . 1 1 100 100 GLY CA C 100 44.633 44.633 45.860 -1.227 25761 465 1 . 1 1 100 100 GLY H H 100 7.481 7.481 7.789 -0.308 25761 466 1 . 1 1 101 101 ARG N N 101 120.072 120.072 118.779 1.293 25761 467 1 . 1 1 101 101 ARG HA H 101 3.442 3.442 3.999 -0.557 25761 468 1 . 1 1 101 101 ARG CA C 101 54.187 54.187 55.886 -1.699 25761 469 1 . 1 1 101 101 ARG CB C 101 27.859 27.859 31.028 -3.169 25761 470 1 . 1 1 101 101 ARG H H 101 8.798 8.798 7.918 0.880 25761 471 1 . 1 1 102 102 HIS N N 102 112.990 112.990 116.975 -3.985 25761 472 1 . 1 1 102 102 HIS HA H 102 4.353 4.353 4.654 -0.301 25761 473 1 . 1 1 102 102 HIS CA C 102 51.683 51.683 55.543 -3.859 25761 474 1 . 1 1 102 102 HIS CB C 102 29.524 29.524 30.399 -0.875 25761 475 1 . 1 1 102 102 HIS H H 102 5.928 5.928 7.878 -1.950 25761 476 1 . 1 1 103 103 PHE N N 103 106.623 106.623 116.020 -9.397 25761 477 1 . 1 1 103 103 PHE HA H 103 3.393 3.393 4.051 -0.658 25761 478 1 . 1 1 103 103 PHE CA C 103 57.875 57.875 59.117 -1.242 25761 479 1 . 1 1 103 103 PHE CB C 103 33.351 33.351 36.897 -3.546 25761 480 1 . 1 1 103 103 PHE H H 103 6.660 6.660 7.543 -0.883 25761 481 1 . 1 1 104 104 LEU N N 104 123.743 123.743 119.126 4.617 25761 482 1 . 1 1 104 104 LEU HA H 104 4.248 4.248 4.303 -0.055 25761 483 1 . 1 1 104 104 LEU CA C 104 52.850 52.850 55.412 -2.562 25761 484 1 . 1 1 104 104 LEU CB C 104 38.257 38.257 42.152 -3.895 25761 485 1 . 1 1 104 104 LEU H H 104 10.737 10.737 7.586 3.151 25761 486 1 . 1 1 105 105 THR N N 105 113.822 113.822 113.986 -0.164 25761 487 1 . 1 1 105 105 THR HA H 105 4.313 4.313 4.389 -0.076 25761 488 1 . 1 1 105 105 THR CA C 105 59.658 59.658 62.562 -2.905 25761 489 1 . 1 1 105 105 THR CB C 105 66.210 66.210 69.151 -2.941 25761 490 1 . 1 1 105 105 THR H H 105 9.213 9.213 8.368 0.845 25761 491 1 . 1 1 106 106 GLU N N 106 123.871 123.871 121.250 2.621 25761 492 1 . 1 1 106 106 GLU HA H 106 4.613 4.613 4.678 -0.065 25761 493 1 . 1 1 106 106 GLU CB C 106 24.135 24.135 30.722 -6.587 25761 494 1 . 1 1 106 106 GLU H H 106 7.734 7.734 8.044 -0.310 25761 495 1 . 1 1 107 107 PRO HA H 107 4.264 4.264 4.490 -0.226 25761 496 1 . 1 1 107 107 PRO CA C 107 61.464 61.464 62.940 -1.476 25761 497 1 . 1 1 107 107 PRO CB C 107 29.803 29.803 32.420 -2.617 25761 498 1 . 1 1 108 108 VAL N N 108 120.628 120.628 120.172 0.456 25761 499 1 . 1 1 108 108 VAL CA C 108 57.808 57.808 60.646 -2.838 25761 500 1 . 1 1 108 108 VAL CB C 108 32.190 32.190 34.403 -2.213 25761 501 1 . 1 1 108 108 VAL H H 108 8.137 8.137 8.260 -0.123 25761 502 1 . 1 1 109 109 GLU N N 109 128.850 128.850 127.174 1.676 25761 503 1 . 1 1 109 109 GLU HA H 109 4.439 4.439 4.549 -0.110 25761 504 1 . 1 1 109 109 GLU CA C 109 53.908 53.908 56.121 -2.213 25761 505 1 . 1 1 109 109 GLU CB C 109 28.447 28.447 31.534 -3.087 25761 506 1 . 1 1 109 109 GLU H H 109 9.095 9.095 8.886 0.209 25761 stop_ save_