data_19427 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19427 _Entry.PDB_ID 2MC4 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 19427 _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 5 5 PRO HA H 5 4.401 4.401 4.361 0.040 19427 2 1 1 . 1 1 5 5 PRO C C 5 176.334 176.334 176.018 0.316 19427 3 1 1 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.931 -0.148 19427 4 1 1 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.476 -0.122 19427 5 1 1 . 1 1 6 6 LYS N N 6 121.980 121.980 120.163 1.817 19427 6 1 1 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.396 -0.022 19427 7 1 1 . 1 1 6 6 LYS C C 6 175.715 175.715 176.540 -0.825 19427 8 1 1 . 1 1 6 6 LYS CA C 6 56.172 56.172 54.426 1.746 19427 9 1 1 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.533 -0.263 19427 10 1 1 . 1 1 6 6 LYS H H 6 8.546 8.546 8.154 0.392 19427 11 1 1 . 1 1 7 7 LEU N N 7 125.018 125.018 123.888 1.130 19427 12 1 1 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.386 0.137 19427 13 1 1 . 1 1 7 7 LEU C C 7 174.994 174.994 175.295 -0.301 19427 14 1 1 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.300 -0.249 19427 15 1 1 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.864 1.307 19427 16 1 1 . 1 1 7 7 LEU H H 7 8.620 8.620 8.436 0.184 19427 17 1 1 . 1 1 8 8 VAL N N 8 121.522 121.522 126.105 -4.583 19427 18 1 1 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.641 -0.094 19427 19 1 1 . 1 1 8 8 VAL C C 8 175.042 175.042 175.063 -0.021 19427 20 1 1 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.900 -0.694 19427 21 1 1 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.214 2.382 19427 22 1 1 . 1 1 8 8 VAL H H 8 8.084 8.084 8.268 -0.184 19427 23 1 1 . 1 1 9 9 LEU N N 9 126.312 126.312 128.491 -2.179 19427 24 1 1 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.156 -0.216 19427 25 1 1 . 1 1 9 9 LEU C C 9 175.831 175.831 175.921 -0.090 19427 26 1 1 . 1 1 9 9 LEU CA C 9 53.546 53.546 52.578 0.968 19427 27 1 1 . 1 1 9 9 LEU CB C 9 44.233 44.233 42.546 1.687 19427 28 1 1 . 1 1 9 9 LEU H H 9 9.137 9.137 9.266 -0.129 19427 29 1 1 . 1 1 10 10 ASP N N 10 123.236 123.236 124.191 -0.955 19427 30 1 1 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.974 -0.126 19427 31 1 1 . 1 1 10 10 ASP C C 10 176.685 176.685 177.323 -0.638 19427 32 1 1 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.076 -0.483 19427 33 1 1 . 1 1 10 10 ASP CB C 10 40.820 40.820 42.047 -1.227 19427 34 1 1 . 1 1 10 10 ASP H H 10 9.002 9.002 8.341 0.661 19427 35 1 1 . 1 1 11 11 LEU N N 11 124.059 124.059 126.448 -2.389 19427 36 1 1 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.135 -0.069 19427 37 1 1 . 1 1 11 11 LEU C C 11 180.169 180.169 178.775 1.394 19427 38 1 1 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.510 -0.497 19427 39 1 1 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.138 -1.288 19427 40 1 1 . 1 1 11 11 LEU H H 11 8.273 8.273 9.157 -0.884 19427 41 1 1 . 1 1 12 12 GLU N N 12 121.967 121.967 119.348 2.619 19427 42 1 1 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.073 0.101 19427 43 1 1 . 1 1 12 12 GLU C C 12 179.719 179.719 179.050 0.669 19427 44 1 1 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.053 0.575 19427 45 1 1 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.373 0.187 19427 46 1 1 . 1 1 12 12 GLU H H 12 8.273 8.273 8.067 0.206 19427 47 1 1 . 1 1 13 13 ARG N N 13 119.595 119.595 120.376 -0.781 19427 48 1 1 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.119 0.053 19427 49 1 1 . 1 1 13 13 ARG C C 13 179.909 179.909 179.104 0.805 19427 50 1 1 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.414 -1.103 19427 51 1 1 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.905 -0.350 19427 52 1 1 . 1 1 13 13 ARG H H 13 8.081 8.081 8.942 -0.861 19427 53 1 1 . 1 1 14 14 LEU N N 14 120.325 120.325 120.171 0.154 19427 54 1 1 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.135 -0.188 19427 55 1 1 . 1 1 14 14 LEU C C 14 177.166 177.166 178.534 -1.368 19427 56 1 1 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.451 0.123 19427 57 1 1 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.800 -0.002 19427 58 1 1 . 1 1 14 14 LEU H H 14 8.205 8.205 7.769 0.436 19427 59 1 1 . 1 1 15 15 ALA N N 15 117.835 117.835 119.456 -1.621 19427 60 1 1 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.159 -0.034 19427 61 1 1 . 1 1 15 15 ALA C C 15 178.500 178.500 178.254 0.246 19427 62 1 1 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.240 0.080 19427 63 1 1 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.625 0.087 19427 64 1 1 . 1 1 15 15 ALA H H 15 7.265 7.265 7.587 -0.322 19427 65 1 1 . 1 1 16 16 THR N N 16 105.967 105.967 112.695 -6.728 19427 66 1 1 . 1 1 16 16 THR HA H 16 4.378 4.378 4.299 0.079 19427 67 1 1 . 1 1 16 16 THR C C 16 174.639 174.639 174.269 0.370 19427 68 1 1 . 1 1 16 16 THR CA C 16 61.642 61.642 63.139 -1.497 19427 69 1 1 . 1 1 16 16 THR CB C 16 69.957 69.957 69.083 0.874 19427 70 1 1 . 1 1 16 16 THR H H 16 7.530 7.530 7.488 0.042 19427 71 1 1 . 1 1 17 17 VAL N N 17 126.962 126.962 123.618 3.344 19427 72 1 1 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.143 -0.158 19427 73 1 1 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.300 1.236 19427 74 1 1 . 1 1 17 17 VAL CB C 17 32.388 32.388 32.135 0.253 19427 75 1 1 . 1 1 17 17 VAL H H 17 7.208 7.208 7.222 -0.014 19427 76 1 1 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.276 -0.008 19427 77 1 1 . 1 1 18 18 PRO C C 18 178.094 178.094 177.265 0.829 19427 78 1 1 . 1 1 18 18 PRO CA C 18 63.848 63.848 62.923 0.925 19427 79 1 1 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.372 0.339 19427 80 1 1 . 1 1 19 19 ALA N N 19 128.383 128.383 126.481 1.902 19427 81 1 1 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.974 -0.030 19427 82 1 1 . 1 1 19 19 ALA C C 19 180.008 180.008 179.533 0.475 19427 83 1 1 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.589 0.729 19427 84 1 1 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.498 0.416 19427 85 1 1 . 1 1 19 19 ALA H H 19 8.872 8.872 8.483 0.389 19427 86 1 1 . 1 1 20 20 GLU N N 20 118.522 118.522 117.427 1.095 19427 87 1 1 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.015 0.099 19427 88 1 1 . 1 1 20 20 GLU C C 20 177.573 177.573 177.725 -0.152 19427 89 1 1 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.780 0.856 19427 90 1 1 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.171 -0.333 19427 91 1 1 . 1 1 20 20 GLU H H 20 9.459 9.459 8.652 0.807 19427 92 1 1 . 1 1 21 21 LYS N N 21 115.147 115.147 115.146 0.001 19427 93 1 1 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.344 0.308 19427 94 1 1 . 1 1 21 21 LYS C C 21 177.045 177.045 177.192 -0.147 19427 95 1 1 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.470 0.517 19427 96 1 1 . 1 1 21 21 LYS CB C 21 33.952 33.952 34.486 -0.534 19427 97 1 1 . 1 1 21 21 LYS H H 21 7.441 7.441 7.461 -0.020 19427 98 1 1 . 1 1 22 22 ALA N N 22 119.898 119.898 121.836 -1.938 19427 99 1 1 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.117 0.027 19427 100 1 1 . 1 1 22 22 ALA C C 22 177.520 177.520 179.079 -1.559 19427 101 1 1 . 1 1 22 22 ALA CA C 22 53.181 53.181 54.474 -1.293 19427 102 1 1 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.436 1.795 19427 103 1 1 . 1 1 22 22 ALA H H 22 8.096 8.096 7.995 0.101 19427 104 1 1 . 1 1 23 23 GLY N N 23 107.148 107.148 107.929 -0.781 19427 105 1 1 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.121 0.891 19427 106 1 1 . 1 1 23 23 GLY H H 23 8.484 8.484 7.866 0.618 19427 107 1 1 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.319 -0.145 19427 108 1 1 . 1 1 24 24 PRO C C 24 179.318 179.318 178.351 0.967 19427 109 1 1 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.737 0.216 19427 110 1 1 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.543 -0.172 19427 111 1 1 . 1 1 25 25 LEU N N 25 118.416 118.416 118.927 -0.511 19427 112 1 1 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.432 -0.076 19427 113 1 1 . 1 1 25 25 LEU C C 25 177.871 177.871 178.825 -0.954 19427 114 1 1 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.412 0.523 19427 115 1 1 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.784 0.566 19427 116 1 1 . 1 1 25 25 LEU H H 25 7.394 7.394 7.648 -0.254 19427 117 1 1 . 1 1 26 26 GLN N N 26 119.819 119.819 118.959 0.860 19427 118 1 1 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.006 -0.112 19427 119 1 1 . 1 1 26 26 GLN C C 26 179.865 179.865 178.868 0.997 19427 120 1 1 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.388 0.383 19427 121 1 1 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.383 -0.829 19427 122 1 1 . 1 1 26 26 GLN H H 26 8.885 8.885 8.727 0.158 19427 123 1 1 . 1 1 27 27 ARG N N 27 119.761 119.761 119.596 0.165 19427 124 1 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.207 -0.066 19427 125 1 1 . 1 1 27 27 ARG C C 27 178.950 178.950 178.381 0.569 19427 126 1 1 . 1 1 27 27 ARG CA C 27 59.636 59.636 57.849 1.787 19427 127 1 1 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.712 0.704 19427 128 1 1 . 1 1 27 27 ARG H H 27 8.694 8.694 8.173 0.521 19427 129 1 1 . 1 1 28 28 TYR N N 28 122.540 122.540 122.410 0.130 19427 130 1 1 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.064 0.107 19427 131 1 1 . 1 1 28 28 TYR C C 28 177.843 177.843 177.239 0.604 19427 132 1 1 . 1 1 28 28 TYR CA C 28 62.278 62.278 62.051 0.227 19427 133 1 1 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.314 1.399 19427 134 1 1 . 1 1 28 28 TYR H H 28 8.211 8.211 8.478 -0.267 19427 135 1 1 . 1 1 29 29 ALA N N 29 120.477 120.477 120.234 0.243 19427 136 1 1 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.913 -0.151 19427 137 1 1 . 1 1 29 29 ALA C C 29 178.739 178.739 178.771 -0.032 19427 138 1 1 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.330 -0.145 19427 139 1 1 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.156 -0.227 19427 140 1 1 . 1 1 29 29 ALA H H 29 9.065 9.065 8.834 0.231 19427 141 1 1 . 1 1 30 30 ALA N N 30 118.596 118.596 120.414 -1.818 19427 142 1 1 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.057 0.230 19427 143 1 1 . 1 1 30 30 ALA C C 30 180.895 180.895 179.922 0.973 19427 144 1 1 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.202 -0.126 19427 145 1 1 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.202 -0.116 19427 146 1 1 . 1 1 30 30 ALA H H 30 7.741 7.741 7.896 -0.155 19427 147 1 1 . 1 1 31 31 THR N N 31 116.024 116.024 116.953 -0.929 19427 148 1 1 . 1 1 31 31 THR HA H 31 3.995 3.995 4.153 -0.158 19427 149 1 1 . 1 1 31 31 THR C C 31 176.687 176.687 176.544 0.143 19427 150 1 1 . 1 1 31 31 THR CA C 31 66.452 66.452 66.427 0.025 19427 151 1 1 . 1 1 31 31 THR CB C 31 68.867 68.867 68.730 0.137 19427 152 1 1 . 1 1 31 31 THR H H 31 7.914 7.914 7.968 -0.054 19427 153 1 1 . 1 1 32 32 ILE N N 32 121.094 121.094 122.299 -1.205 19427 154 1 1 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.657 0.158 19427 155 1 1 . 1 1 32 32 ILE C C 32 178.583 178.583 178.143 0.440 19427 156 1 1 . 1 1 32 32 ILE CA C 32 64.153 64.153 64.048 0.105 19427 157 1 1 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.529 0.411 19427 158 1 1 . 1 1 32 32 ILE H H 32 7.846 7.846 8.216 -0.370 19427 159 1 1 . 1 1 33 33 GLN N N 33 119.832 119.832 118.796 1.036 19427 160 1 1 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.000 -0.161 19427 161 1 1 . 1 1 33 33 GLN C C 33 178.264 178.264 178.886 -0.622 19427 162 1 1 . 1 1 33 33 GLN CA C 33 59.858 59.858 58.592 1.266 19427 163 1 1 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.243 1.122 19427 164 1 1 . 1 1 33 33 GLN H H 33 8.374 8.374 8.522 -0.148 19427 165 1 1 . 1 1 34 34 SER N N 34 112.726 112.726 114.243 -1.517 19427 166 1 1 . 1 1 34 34 SER HA H 34 4.333 4.333 4.165 0.168 19427 167 1 1 . 1 1 34 34 SER C C 34 176.817 176.817 176.520 0.297 19427 168 1 1 . 1 1 34 34 SER CA C 34 60.915 60.915 61.588 -0.673 19427 169 1 1 . 1 1 34 34 SER CB C 34 63.235 63.235 62.902 0.333 19427 170 1 1 . 1 1 34 34 SER H H 34 7.816 7.816 8.250 -0.434 19427 171 1 1 . 1 1 35 35 GLN N N 35 120.724 120.724 119.145 1.579 19427 172 1 1 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.254 -0.060 19427 173 1 1 . 1 1 35 35 GLN C C 35 177.930 177.930 177.891 0.039 19427 174 1 1 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.772 0.337 19427 175 1 1 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.769 0.419 19427 176 1 1 . 1 1 35 35 GLN H H 35 8.034 8.034 7.743 0.291 19427 177 1 1 . 1 1 36 36 ARG N N 36 116.267 116.267 118.296 -2.029 19427 178 1 1 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.373 0.025 19427 179 1 1 . 1 1 36 36 ARG C C 36 177.013 177.013 177.539 -0.526 19427 180 1 1 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.128 0.296 19427 181 1 1 . 1 1 36 36 ARG CB C 36 31.418 31.418 31.017 0.401 19427 182 1 1 . 1 1 36 36 ARG H H 36 8.091 8.091 7.972 0.119 19427 183 1 1 . 1 1 37 37 GLY N N 37 109.299 109.299 107.602 1.697 19427 184 1 1 . 1 1 37 37 GLY C C 37 173.661 173.661 173.288 0.373 19427 185 1 1 . 1 1 37 37 GLY CA C 37 46.270 46.270 44.931 1.339 19427 186 1 1 . 1 1 37 37 GLY H H 37 7.972 7.972 8.401 -0.429 19427 187 1 1 . 1 1 38 38 ASP N N 38 119.246 119.246 118.305 0.941 19427 188 1 1 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.432 0.283 19427 189 1 1 . 1 1 38 38 ASP C C 38 175.405 175.405 174.070 1.335 19427 190 1 1 . 1 1 38 38 ASP CA C 38 53.171 53.171 54.902 -1.731 19427 191 1 1 . 1 1 38 38 ASP CB C 38 41.640 41.640 40.666 0.974 19427 192 1 1 . 1 1 38 38 ASP H H 38 7.838 7.838 8.064 -0.226 19427 193 1 1 . 1 1 39 39 TYR N N 39 121.210 121.210 125.230 -4.020 19427 194 1 1 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.702 -0.175 19427 195 1 1 . 1 1 39 39 TYR C C 39 176.937 176.937 174.158 2.779 19427 196 1 1 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.794 0.334 19427 197 1 1 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.709 -0.121 19427 198 1 1 . 1 1 39 39 TYR H H 39 8.202 8.202 8.275 -0.073 19427 199 1 1 . 1 1 40 40 ASN N N 40 120.622 120.622 119.037 1.585 19427 200 1 1 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.865 -0.246 19427 201 1 1 . 1 1 40 40 ASN C C 40 175.853 175.853 176.747 -0.894 19427 202 1 1 . 1 1 40 40 ASN CA C 40 54.383 54.383 54.676 -0.293 19427 203 1 1 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.911 -0.405 19427 204 1 1 . 1 1 40 40 ASN H H 40 8.393 8.393 8.737 -0.344 19427 205 1 1 . 1 1 41 41 GLY N N 41 107.971 107.971 109.477 -1.506 19427 206 1 1 . 1 1 41 41 GLY C C 41 173.926 173.926 174.912 -0.986 19427 207 1 1 . 1 1 41 41 GLY CA C 41 45.930 45.930 47.029 -1.099 19427 208 1 1 . 1 1 41 41 GLY H H 41 8.103 8.103 8.776 -0.673 19427 209 1 1 . 1 1 42 42 LYS N N 42 119.472 119.472 122.873 -3.401 19427 210 1 1 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.312 0.177 19427 211 1 1 . 1 1 42 42 LYS C C 42 176.201 176.201 175.445 0.756 19427 212 1 1 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.899 -0.190 19427 213 1 1 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.931 0.414 19427 214 1 1 . 1 1 42 42 LYS H H 42 8.652 8.652 8.295 0.357 19427 215 1 1 . 1 1 43 43 VAL N N 43 112.852 112.852 113.439 -0.587 19427 216 1 1 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.120 0.210 19427 217 1 1 . 1 1 43 43 VAL C C 43 174.906 174.906 174.655 0.251 19427 218 1 1 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.210 0.054 19427 219 1 1 . 1 1 43 43 VAL CB C 43 35.953 35.953 34.303 1.650 19427 220 1 1 . 1 1 43 43 VAL H H 43 7.840 7.840 7.331 0.509 19427 221 1 1 . 1 1 44 44 LEU N N 44 123.642 123.642 126.052 -2.410 19427 222 1 1 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.810 -0.021 19427 223 1 1 . 1 1 44 44 LEU C C 44 175.260 175.260 175.058 0.202 19427 224 1 1 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.873 0.003 19427 225 1 1 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.775 1.723 19427 226 1 1 . 1 1 44 44 LEU H H 44 8.610 8.610 9.200 -0.590 19427 227 1 1 . 1 1 45 45 SER N N 45 124.267 124.267 121.186 3.081 19427 228 1 1 . 1 1 45 45 SER HA H 45 5.052 5.052 5.413 -0.361 19427 229 1 1 . 1 1 45 45 SER C C 45 174.246 174.246 174.659 -0.413 19427 230 1 1 . 1 1 45 45 SER CA C 45 58.852 58.852 56.323 2.529 19427 231 1 1 . 1 1 45 45 SER CB C 45 63.509 63.509 63.726 -0.217 19427 232 1 1 . 1 1 45 45 SER H H 45 9.111 9.111 8.544 0.567 19427 233 1 1 . 1 1 46 46 ILE N N 46 118.924 118.924 122.670 -3.746 19427 234 1 1 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.725 0.055 19427 235 1 1 . 1 1 46 46 ILE C C 46 174.199 174.199 174.280 -0.081 19427 236 1 1 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.825 0.777 19427 237 1 1 . 1 1 46 46 ILE CB C 46 41.595 41.595 41.154 0.442 19427 238 1 1 . 1 1 46 46 ILE H H 46 8.542 8.542 9.096 -0.554 19427 239 1 1 . 1 1 47 47 ARG N N 47 119.572 119.572 119.445 0.127 19427 240 1 1 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.600 0.265 19427 241 1 1 . 1 1 47 47 ARG C C 47 178.511 178.511 177.920 0.591 19427 242 1 1 . 1 1 47 47 ARG CA C 47 54.508 54.508 55.403 -0.895 19427 243 1 1 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.837 1.482 19427 244 1 1 . 1 1 47 47 ARG H H 47 9.488 9.488 8.172 1.316 19427 245 1 1 . 1 1 48 48 GLN N N 48 122.809 122.809 120.906 1.903 19427 246 1 1 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.039 -0.221 19427 247 1 1 . 1 1 48 48 GLN C C 48 178.972 178.972 177.316 1.656 19427 248 1 1 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.072 1.455 19427 249 1 1 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.616 -0.332 19427 250 1 1 . 1 1 48 48 GLN H H 48 9.350 9.350 8.900 0.450 19427 251 1 1 . 1 1 49 49 ASP N N 49 115.682 115.682 118.286 -2.604 19427 252 1 1 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.518 -0.158 19427 253 1 1 . 1 1 49 49 ASP C C 49 178.758 178.758 178.290 0.468 19427 254 1 1 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.753 0.604 19427 255 1 1 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.516 -0.033 19427 256 1 1 . 1 1 49 49 ASP H H 49 8.855 8.855 8.270 0.585 19427 257 1 1 . 1 1 50 50 ASP N N 50 117.926 117.926 119.333 -1.407 19427 258 1 1 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.489 0.123 19427 259 1 1 . 1 1 50 50 ASP C C 50 177.865 177.865 177.979 -0.114 19427 260 1 1 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.074 2.002 19427 261 1 1 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.739 0.900 19427 262 1 1 . 1 1 50 50 ASP H H 50 7.519 7.519 8.380 -0.861 19427 263 1 1 . 1 1 51 51 LEU N N 51 118.893 118.893 120.855 -1.962 19427 264 1 1 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.059 -0.147 19427 265 1 1 . 1 1 51 51 LEU C C 51 178.254 178.254 177.880 0.374 19427 266 1 1 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.387 0.742 19427 267 1 1 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.028 -0.631 19427 268 1 1 . 1 1 51 51 LEU H H 51 7.444 7.444 7.508 -0.064 19427 269 1 1 . 1 1 52 52 ARG N N 52 117.366 117.366 116.926 0.440 19427 270 1 1 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.951 -0.041 19427 271 1 1 . 1 1 52 52 ARG C C 52 178.886 178.886 178.094 0.792 19427 272 1 1 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.223 1.062 19427 273 1 1 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.026 -0.208 19427 274 1 1 . 1 1 52 52 ARG H H 52 7.757 7.757 7.587 0.170 19427 275 1 1 . 1 1 53 53 THR N N 53 118.266 118.266 117.202 1.064 19427 276 1 1 . 1 1 53 53 THR HA H 53 3.924 3.924 3.995 -0.071 19427 277 1 1 . 1 1 53 53 THR C C 53 176.626 176.626 175.831 0.795 19427 278 1 1 . 1 1 53 53 THR CA C 53 67.001 67.001 66.790 0.212 19427 279 1 1 . 1 1 53 53 THR CB C 53 68.759 68.759 68.374 0.385 19427 280 1 1 . 1 1 53 53 THR H H 53 7.973 7.973 7.543 0.430 19427 281 1 1 . 1 1 54 54 LEU N N 54 122.030 122.030 120.646 1.384 19427 282 1 1 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.524 0.285 19427 283 1 1 . 1 1 54 54 LEU C C 54 177.755 177.755 177.765 -0.010 19427 284 1 1 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.169 0.654 19427 285 1 1 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.981 2.108 19427 286 1 1 . 1 1 54 54 LEU H H 54 8.355 8.355 7.388 0.967 19427 287 1 1 . 1 1 55 55 ALA N N 55 122.634 122.634 120.611 2.023 19427 288 1 1 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.953 -0.061 19427 289 1 1 . 1 1 55 55 ALA C C 55 179.192 179.192 179.018 0.174 19427 290 1 1 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.014 1.491 19427 291 1 1 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.949 -0.785 19427 292 1 1 . 1 1 55 55 ALA H H 55 8.195 8.195 7.477 0.718 19427 293 1 1 . 1 1 56 56 VAL N N 56 118.079 118.079 117.956 0.123 19427 294 1 1 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.656 0.205 19427 295 1 1 . 1 1 56 56 VAL C C 56 180.389 180.389 177.674 2.715 19427 296 1 1 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.648 0.939 19427 297 1 1 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.913 -0.220 19427 298 1 1 . 1 1 56 56 VAL H H 56 7.402 7.402 7.169 0.233 19427 299 1 1 . 1 1 57 57 ILE N N 57 122.536 122.536 118.743 3.793 19427 300 1 1 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.629 -0.025 19427 301 1 1 . 1 1 57 57 ILE C C 57 177.942 177.942 177.686 0.256 19427 302 1 1 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.556 1.287 19427 303 1 1 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.954 0.432 19427 304 1 1 . 1 1 57 57 ILE H H 57 7.893 7.893 7.273 0.620 19427 305 1 1 . 1 1 58 58 TYR N N 58 117.060 117.060 116.172 0.888 19427 306 1 1 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.546 -0.415 19427 307 1 1 . 1 1 58 58 TYR C C 58 174.728 174.728 175.662 -0.934 19427 308 1 1 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.396 4.368 19427 309 1 1 . 1 1 58 58 TYR CB C 58 39.027 39.027 38.159 0.868 19427 310 1 1 . 1 1 58 58 TYR H H 58 8.319 8.319 7.528 0.791 19427 311 1 1 . 1 1 59 59 ASP N N 59 122.545 122.545 119.051 3.494 19427 312 1 1 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.347 0.003 19427 313 1 1 . 1 1 59 59 ASP C C 59 174.853 174.853 174.832 0.021 19427 314 1 1 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.071 0.042 19427 315 1 1 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.556 0.256 19427 316 1 1 . 1 1 59 59 ASP H H 59 8.177 8.177 7.776 0.401 19427 317 1 1 . 1 1 60 60 GLN N N 60 116.007 116.007 118.832 -2.825 19427 318 1 1 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.648 0.082 19427 319 1 1 . 1 1 60 60 GLN C C 60 174.853 174.853 174.776 0.077 19427 320 1 1 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.666 -0.152 19427 321 1 1 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.104 2.280 19427 322 1 1 . 1 1 60 60 GLN H H 60 8.424 8.424 8.306 0.118 19427 323 1 1 . 1 1 61 61 SER N N 61 116.009 116.009 117.883 -1.874 19427 324 1 1 . 1 1 61 61 SER HA H 61 4.783 4.783 4.689 0.094 19427 325 1 1 . 1 1 61 61 SER CA C 61 56.443 56.443 56.912 -0.469 19427 326 1 1 . 1 1 61 61 SER CB C 61 62.811 62.811 62.788 0.023 19427 327 1 1 . 1 1 61 61 SER H H 61 8.424 8.424 8.486 -0.062 19427 328 1 1 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.105 -0.069 19427 329 1 1 . 1 1 62 62 PRO C C 62 179.161 179.161 178.819 0.342 19427 330 1 1 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.927 0.569 19427 331 1 1 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.747 0.034 19427 332 1 1 . 1 1 63 63 SER N N 63 114.103 114.103 113.258 0.845 19427 333 1 1 . 1 1 63 63 SER HA H 63 4.838 4.838 4.100 0.738 19427 334 1 1 . 1 1 63 63 SER C C 63 176.141 176.141 176.754 -0.613 19427 335 1 1 . 1 1 63 63 SER CB C 63 62.293 62.293 62.431 -0.138 19427 336 1 1 . 1 1 63 63 SER H H 63 8.596 8.596 8.413 0.183 19427 337 1 1 . 1 1 64 64 VAL N N 64 125.461 125.461 122.264 3.197 19427 338 1 1 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.694 -0.133 19427 339 1 1 . 1 1 64 64 VAL C C 64 178.754 178.754 177.777 0.977 19427 340 1 1 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.514 0.918 19427 341 1 1 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.532 0.485 19427 342 1 1 . 1 1 64 64 VAL H H 64 7.381 7.381 7.348 0.033 19427 343 1 1 . 1 1 65 65 LEU N N 65 121.843 121.843 121.253 0.590 19427 344 1 1 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.968 -0.069 19427 345 1 1 . 1 1 65 65 LEU C C 65 178.836 178.836 178.646 0.190 19427 346 1 1 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.595 -1.283 19427 347 1 1 . 1 1 65 65 LEU CB C 65 41.255 41.255 41.152 0.103 19427 348 1 1 . 1 1 65 65 LEU H H 65 8.437 8.437 8.712 -0.275 19427 349 1 1 . 1 1 66 66 THR N N 66 115.794 115.794 115.439 0.355 19427 350 1 1 . 1 1 66 66 THR HA H 66 3.321 3.321 3.826 -0.505 19427 351 1 1 . 1 1 66 66 THR C C 66 175.591 175.591 176.634 -1.043 19427 352 1 1 . 1 1 66 66 THR CA C 66 69.056 69.056 67.159 1.897 19427 353 1 1 . 1 1 66 66 THR CB C 66 67.992 67.992 68.510 -0.518 19427 354 1 1 . 1 1 66 66 THR H H 66 8.079 8.079 8.393 -0.314 19427 355 1 1 . 1 1 67 67 GLU N N 67 118.543 118.543 120.392 -1.849 19427 356 1 1 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.963 -0.122 19427 357 1 1 . 1 1 67 67 GLU C C 67 179.342 179.342 178.947 0.395 19427 358 1 1 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.279 -0.054 19427 359 1 1 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.036 -0.115 19427 360 1 1 . 1 1 67 67 GLU H H 67 7.594 7.594 7.633 -0.039 19427 361 1 1 . 1 1 68 68 GLN N N 68 120.882 120.882 119.303 1.579 19427 362 1 1 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.567 0.133 19427 363 1 1 . 1 1 68 68 GLN C C 68 177.403 177.403 177.768 -0.365 19427 364 1 1 . 1 1 68 68 GLN CA C 68 58.394 58.394 57.967 0.427 19427 365 1 1 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.658 0.716 19427 366 1 1 . 1 1 68 68 GLN H H 68 7.847 7.847 7.805 0.042 19427 367 1 1 . 1 1 69 69 LEU N N 69 118.421 118.421 119.269 -0.848 19427 368 1 1 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.728 -0.255 19427 369 1 1 . 1 1 69 69 LEU C C 69 180.177 180.177 179.063 1.114 19427 370 1 1 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.404 1.009 19427 371 1 1 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.802 0.169 19427 372 1 1 . 1 1 69 69 LEU H H 69 7.986 7.986 7.162 0.824 19427 373 1 1 . 1 1 70 70 ILE N N 70 121.346 121.346 118.986 2.360 19427 374 1 1 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.031 0.129 19427 375 1 1 . 1 1 70 70 ILE C C 70 180.910 180.910 179.003 1.907 19427 376 1 1 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.785 0.265 19427 377 1 1 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.816 0.529 19427 378 1 1 . 1 1 70 70 ILE H H 70 8.262 8.262 7.468 0.794 19427 379 1 1 . 1 1 71 71 SER N N 71 120.236 120.236 114.959 5.277 19427 380 1 1 . 1 1 71 71 SER HA H 71 4.273 4.273 4.148 0.125 19427 381 1 1 . 1 1 71 71 SER C C 71 177.045 177.045 176.441 0.604 19427 382 1 1 . 1 1 71 71 SER CA C 71 62.544 62.544 61.205 1.339 19427 383 1 1 . 1 1 71 71 SER CB C 71 62.839 62.839 63.337 -0.498 19427 384 1 1 . 1 1 71 71 SER H H 71 8.388 8.388 7.857 0.531 19427 385 1 1 . 1 1 72 72 TRP N N 72 119.364 119.364 119.500 -0.136 19427 386 1 1 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.677 0.249 19427 387 1 1 . 1 1 72 72 TRP C C 72 176.839 176.839 176.423 0.416 19427 388 1 1 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.371 -1.607 19427 389 1 1 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.142 2.122 19427 390 1 1 . 1 1 72 72 TRP H H 72 8.066 8.066 7.784 0.282 19427 391 1 1 . 1 1 73 73 GLY N N 73 106.514 106.514 105.549 0.965 19427 392 1 1 . 1 1 73 73 GLY C C 73 174.697 174.697 174.733 -0.036 19427 393 1 1 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.537 -0.134 19427 394 1 1 . 1 1 73 73 GLY H H 73 8.242 8.242 7.295 0.947 19427 395 1 1 . 1 1 74 74 VAL N N 74 114.793 114.793 118.678 -3.885 19427 396 1 1 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.023 0.174 19427 397 1 1 . 1 1 74 74 VAL C C 74 174.015 174.015 174.878 -0.863 19427 398 1 1 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.796 -0.683 19427 399 1 1 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.608 0.241 19427 400 1 1 . 1 1 74 74 VAL H H 74 7.834 7.834 8.238 -0.404 19427 401 1 1 . 1 1 75 75 LEU N N 75 118.357 118.357 118.924 -0.567 19427 402 1 1 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.753 0.158 19427 403 1 1 . 1 1 75 75 LEU C C 75 175.022 175.022 174.551 0.471 19427 404 1 1 . 1 1 75 75 LEU CA C 75 52.632 52.632 53.139 -0.507 19427 405 1 1 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.917 1.240 19427 406 1 1 . 1 1 75 75 LEU H H 75 6.898 6.898 7.662 -0.764 19427 407 1 1 . 1 1 76 76 ASP N N 76 122.400 122.400 123.026 -0.626 19427 408 1 1 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.870 -0.267 19427 409 1 1 . 1 1 76 76 ASP C C 76 176.384 176.384 176.812 -0.428 19427 410 1 1 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.282 0.101 19427 411 1 1 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.648 -0.421 19427 412 1 1 . 1 1 76 76 ASP H H 76 8.412 8.412 8.822 -0.410 19427 413 1 1 . 1 1 77 77 ALA N N 77 123.828 123.828 124.691 -0.863 19427 414 1 1 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.078 -0.024 19427 415 1 1 . 1 1 77 77 ALA C C 77 179.068 179.068 178.883 0.185 19427 416 1 1 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.397 0.334 19427 417 1 1 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.712 0.037 19427 418 1 1 . 1 1 77 77 ALA H H 77 8.601 8.601 8.656 -0.055 19427 419 1 1 . 1 1 78 78 ASP N N 78 118.882 118.882 119.432 -0.550 19427 420 1 1 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.410 0.103 19427 421 1 1 . 1 1 78 78 ASP C C 78 174.868 174.868 177.380 -2.512 19427 422 1 1 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.288 -0.010 19427 423 1 1 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.637 0.271 19427 424 1 1 . 1 1 78 78 ASP H H 78 8.791 8.791 8.594 0.197 19427 425 1 1 . 1 1 79 79 ALA N N 79 121.027 121.027 121.668 -0.641 19427 426 1 1 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.075 -0.074 19427 427 1 1 . 1 1 79 79 ALA C C 79 178.803 178.803 179.519 -0.716 19427 428 1 1 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.404 -0.013 19427 429 1 1 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.703 1.217 19427 430 1 1 . 1 1 79 79 ALA H H 79 8.287 8.287 7.467 0.820 19427 431 1 1 . 1 1 80 80 ARG N N 80 115.805 115.805 118.768 -2.963 19427 432 1 1 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.946 -0.022 19427 433 1 1 . 1 1 80 80 ARG C C 80 178.254 178.254 178.122 0.132 19427 434 1 1 . 1 1 80 80 ARG CA C 80 59.229 59.229 59.538 -0.309 19427 435 1 1 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.904 0.353 19427 436 1 1 . 1 1 80 80 ARG H H 80 7.689 7.689 7.773 -0.084 19427 437 1 1 . 1 1 81 81 ARG N N 81 117.554 117.554 117.714 -0.160 19427 438 1 1 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.134 0.072 19427 439 1 1 . 1 1 81 81 ARG C C 81 177.214 177.214 177.007 0.207 19427 440 1 1 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.203 -0.510 19427 441 1 1 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.570 0.672 19427 442 1 1 . 1 1 81 81 ARG H H 81 7.782 7.782 7.611 0.171 19427 443 1 1 . 1 1 82 82 ALA N N 82 121.590 121.590 121.162 0.428 19427 444 1 1 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.334 -0.055 19427 445 1 1 . 1 1 82 82 ALA C C 82 177.798 177.798 178.652 -0.854 19427 446 1 1 . 1 1 82 82 ALA CA C 82 53.255 53.255 53.643 -0.388 19427 447 1 1 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.372 0.191 19427 448 1 1 . 1 1 82 82 ALA H H 82 7.875 7.875 7.766 0.109 19427 449 1 1 . 1 1 83 83 VAL N N 83 114.483 114.483 118.434 -3.951 19427 450 1 1 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.823 0.318 19427 451 1 1 . 1 1 83 83 VAL C C 83 175.572 175.572 176.703 -1.131 19427 452 1 1 . 1 1 83 83 VAL CA C 83 62.041 62.041 64.650 -2.608 19427 453 1 1 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.013 0.768 19427 454 1 1 . 1 1 83 83 VAL H H 83 7.503 7.503 7.188 0.315 19427 455 1 1 . 1 1 84 84 ALA N N 84 125.870 125.870 122.210 3.660 19427 456 1 1 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.179 0.142 19427 457 1 1 . 1 1 84 84 ALA C C 84 177.696 177.696 176.592 1.104 19427 458 1 1 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.645 0.126 19427 459 1 1 . 1 1 84 84 ALA CB C 84 19.512 19.512 19.040 0.472 19427 460 1 1 . 1 1 84 84 ALA H H 84 7.876 7.876 7.704 0.172 19427 461 1 1 . 1 1 85 85 SER N N 85 114.965 114.965 117.962 -2.997 19427 462 1 1 . 1 1 85 85 SER HA H 85 4.396 4.396 4.373 0.023 19427 463 1 1 . 1 1 85 85 SER CA C 85 58.393 58.393 59.673 -1.280 19427 464 1 1 . 1 1 85 85 SER CB C 85 63.915 63.915 63.770 0.145 19427 465 1 1 . 1 1 85 85 SER H H 85 8.521 8.521 8.683 -0.162 19427 466 1 1 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.759 -0.093 19427 467 1 1 . 1 1 86 86 HIS C C 86 174.868 174.868 172.870 1.998 19427 468 1 1 . 1 1 86 86 HIS CA C 86 56.321 56.321 54.044 2.277 19427 469 1 1 . 1 1 86 86 HIS CB C 86 30.312 30.312 31.834 -1.522 19427 470 1 1 . 1 1 87 87 ASP N N 87 121.205 121.205 122.641 -1.436 19427 471 1 1 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.518 0.085 19427 472 1 1 . 1 1 87 87 ASP C C 87 175.917 175.917 176.549 -0.632 19427 473 1 1 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.296 0.281 19427 474 1 1 . 1 1 87 87 ASP CB C 87 41.256 41.256 41.486 -0.230 19427 475 1 1 . 1 1 87 87 ASP H H 87 8.326 8.326 8.506 -0.180 19427 476 1 1 . 1 1 88 88 GLU N N 88 121.167 121.167 119.603 1.564 19427 477 1 1 . 1 1 88 88 GLU HA H 88 4.317 4.317 3.869 0.448 19427 478 1 1 . 1 1 88 88 GLU C C 88 175.455 175.455 175.635 -0.180 19427 479 1 1 . 1 1 88 88 GLU CA C 88 56.372 56.372 57.791 -1.419 19427 480 1 1 . 1 1 88 88 GLU CB C 88 30.373 30.373 28.522 1.851 19427 481 1 1 . 1 1 88 88 GLU H H 88 8.352 8.352 8.601 -0.249 19427 482 1 2 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.379 0.022 19427 483 1 2 . 1 1 5 5 PRO C C 5 176.334 176.334 176.557 -0.223 19427 484 1 2 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.339 -0.556 19427 485 1 2 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.655 0.699 19427 486 1 2 . 1 1 6 6 LYS N N 6 121.980 121.980 126.682 -4.702 19427 487 1 2 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.450 -0.076 19427 488 1 2 . 1 1 6 6 LYS C C 6 175.715 175.715 175.691 0.024 19427 489 1 2 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.400 0.772 19427 490 1 2 . 1 1 6 6 LYS CB C 6 33.270 33.270 34.029 -0.759 19427 491 1 2 . 1 1 6 6 LYS H H 6 8.546 8.546 8.245 0.301 19427 492 1 2 . 1 1 7 7 LEU N N 7 125.018 125.018 128.140 -3.122 19427 493 1 2 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.516 0.007 19427 494 1 2 . 1 1 7 7 LEU C C 7 174.994 174.994 175.534 -0.540 19427 495 1 2 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.287 0.763 19427 496 1 2 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.397 1.774 19427 497 1 2 . 1 1 7 7 LEU H H 7 8.620 8.620 8.968 -0.348 19427 498 1 2 . 1 1 8 8 VAL N N 8 121.522 121.522 125.754 -4.232 19427 499 1 2 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.593 -0.046 19427 500 1 2 . 1 1 8 8 VAL C C 8 175.042 175.042 174.957 0.085 19427 501 1 2 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.569 -0.363 19427 502 1 2 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.261 2.335 19427 503 1 2 . 1 1 8 8 VAL H H 8 8.084 8.084 8.461 -0.377 19427 504 1 2 . 1 1 9 9 LEU N N 9 126.312 126.312 129.772 -3.460 19427 505 1 2 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.922 0.018 19427 506 1 2 . 1 1 9 9 LEU C C 9 175.831 175.831 174.883 0.948 19427 507 1 2 . 1 1 9 9 LEU CA C 9 53.546 53.546 52.962 0.584 19427 508 1 2 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.506 -0.273 19427 509 1 2 . 1 1 9 9 LEU H H 9 9.137 9.137 9.204 -0.067 19427 510 1 2 . 1 1 10 10 ASP N N 10 123.236 123.236 128.016 -4.780 19427 511 1 2 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.670 0.178 19427 512 1 2 . 1 1 10 10 ASP C C 10 176.685 176.685 176.549 0.136 19427 513 1 2 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.646 -1.053 19427 514 1 2 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.556 -0.736 19427 515 1 2 . 1 1 10 10 ASP H H 10 9.002 9.002 8.955 0.047 19427 516 1 2 . 1 1 11 11 LEU N N 11 124.059 124.059 125.910 -1.851 19427 517 1 2 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.168 -0.102 19427 518 1 2 . 1 1 11 11 LEU C C 11 180.169 180.169 178.563 1.606 19427 519 1 2 . 1 1 11 11 LEU CA C 11 57.013 57.013 56.968 0.045 19427 520 1 2 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.225 -1.375 19427 521 1 2 . 1 1 11 11 LEU H H 11 8.273 8.273 8.322 -0.049 19427 522 1 2 . 1 1 12 12 GLU N N 12 121.967 121.967 119.222 2.745 19427 523 1 2 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.090 0.084 19427 524 1 2 . 1 1 12 12 GLU C C 12 179.719 179.719 178.795 0.924 19427 525 1 2 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.158 0.469 19427 526 1 2 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.725 -0.165 19427 527 1 2 . 1 1 12 12 GLU H H 12 8.273 8.273 7.826 0.447 19427 528 1 2 . 1 1 13 13 ARG N N 13 119.595 119.595 120.796 -1.201 19427 529 1 2 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.199 -0.027 19427 530 1 2 . 1 1 13 13 ARG C C 13 179.909 179.909 178.972 0.937 19427 531 1 2 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.795 -0.484 19427 532 1 2 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.833 -0.278 19427 533 1 2 . 1 1 13 13 ARG H H 13 8.081 8.081 9.269 -1.188 19427 534 1 2 . 1 1 14 14 LEU N N 14 120.325 120.325 119.842 0.483 19427 535 1 2 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.185 -0.238 19427 536 1 2 . 1 1 14 14 LEU C C 14 177.166 177.166 178.333 -1.167 19427 537 1 2 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.748 -0.174 19427 538 1 2 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.672 0.126 19427 539 1 2 . 1 1 14 14 LEU H H 14 8.205 8.205 7.855 0.350 19427 540 1 2 . 1 1 15 15 ALA N N 15 117.835 117.835 119.478 -1.643 19427 541 1 2 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.199 -0.074 19427 542 1 2 . 1 1 15 15 ALA C C 15 178.500 178.500 178.173 0.327 19427 543 1 2 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.520 -0.200 19427 544 1 2 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.682 0.030 19427 545 1 2 . 1 1 15 15 ALA H H 15 7.265 7.265 7.327 -0.062 19427 546 1 2 . 1 1 16 16 THR N N 16 105.967 105.967 109.459 -3.492 19427 547 1 2 . 1 1 16 16 THR HA H 16 4.378 4.378 4.217 0.161 19427 548 1 2 . 1 1 16 16 THR C C 16 174.639 174.639 174.460 0.179 19427 549 1 2 . 1 1 16 16 THR CA C 16 61.642 61.642 62.008 -0.366 19427 550 1 2 . 1 1 16 16 THR CB C 16 69.957 69.957 68.881 1.076 19427 551 1 2 . 1 1 16 16 THR H H 16 7.530 7.530 7.433 0.097 19427 552 1 2 . 1 1 17 17 VAL N N 17 126.962 126.962 124.800 2.162 19427 553 1 2 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.063 -0.078 19427 554 1 2 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.692 0.843 19427 555 1 2 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.763 0.625 19427 556 1 2 . 1 1 17 17 VAL H H 17 7.208 7.208 7.130 0.078 19427 557 1 2 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.215 0.053 19427 558 1 2 . 1 1 18 18 PRO C C 18 178.094 178.094 177.463 0.631 19427 559 1 2 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.211 0.637 19427 560 1 2 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.382 0.329 19427 561 1 2 . 1 1 19 19 ALA N N 19 128.383 128.383 127.893 0.490 19427 562 1 2 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.928 0.016 19427 563 1 2 . 1 1 19 19 ALA C C 19 180.008 180.008 179.673 0.335 19427 564 1 2 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.876 0.441 19427 565 1 2 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.613 0.301 19427 566 1 2 . 1 1 19 19 ALA H H 19 8.872 8.872 8.559 0.313 19427 567 1 2 . 1 1 20 20 GLU N N 20 118.522 118.522 117.695 0.827 19427 568 1 2 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.002 0.112 19427 569 1 2 . 1 1 20 20 GLU C C 20 177.573 177.573 178.045 -0.472 19427 570 1 2 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.851 0.785 19427 571 1 2 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.348 -0.510 19427 572 1 2 . 1 1 20 20 GLU H H 20 9.459 9.459 8.798 0.661 19427 573 1 2 . 1 1 21 21 LYS N N 21 115.147 115.147 117.004 -1.857 19427 574 1 2 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.241 0.411 19427 575 1 2 . 1 1 21 21 LYS C C 21 177.045 177.045 177.592 -0.547 19427 576 1 2 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.847 -0.860 19427 577 1 2 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.561 0.391 19427 578 1 2 . 1 1 21 21 LYS H H 21 7.441 7.441 7.669 -0.228 19427 579 1 2 . 1 1 22 22 ALA N N 22 119.898 119.898 120.270 -0.372 19427 580 1 2 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.617 -0.473 19427 581 1 2 . 1 1 22 22 ALA C C 22 177.520 177.520 178.740 -1.220 19427 582 1 2 . 1 1 22 22 ALA CA C 22 53.181 53.181 51.795 1.386 19427 583 1 2 . 1 1 22 22 ALA CB C 22 20.231 20.231 19.032 1.198 19427 584 1 2 . 1 1 22 22 ALA H H 22 8.096 8.096 8.131 -0.035 19427 585 1 2 . 1 1 23 23 GLY N N 23 107.148 107.148 109.263 -2.115 19427 586 1 2 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.995 1.017 19427 587 1 2 . 1 1 23 23 GLY H H 23 8.484 8.484 7.968 0.516 19427 588 1 2 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.443 -0.269 19427 589 1 2 . 1 1 24 24 PRO C C 24 179.318 179.318 177.799 1.519 19427 590 1 2 . 1 1 24 24 PRO CA C 24 65.953 65.953 64.944 1.010 19427 591 1 2 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.447 -0.076 19427 592 1 2 . 1 1 25 25 LEU N N 25 118.416 118.416 119.976 -1.560 19427 593 1 2 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.616 -0.260 19427 594 1 2 . 1 1 25 25 LEU C C 25 177.871 177.871 178.699 -0.828 19427 595 1 2 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.956 0.979 19427 596 1 2 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.660 0.689 19427 597 1 2 . 1 1 25 25 LEU H H 25 7.394 7.394 7.696 -0.302 19427 598 1 2 . 1 1 26 26 GLN N N 26 119.819 119.819 118.625 1.194 19427 599 1 2 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.984 -0.090 19427 600 1 2 . 1 1 26 26 GLN C C 26 179.865 179.865 178.672 1.193 19427 601 1 2 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.466 0.305 19427 602 1 2 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.358 -0.804 19427 603 1 2 . 1 1 26 26 GLN H H 26 8.885 8.885 8.699 0.186 19427 604 1 2 . 1 1 27 27 ARG N N 27 119.761 119.761 120.137 -0.376 19427 605 1 2 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.141 0.000 19427 606 1 2 . 1 1 27 27 ARG C C 27 178.950 178.950 178.608 0.342 19427 607 1 2 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.658 0.978 19427 608 1 2 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.733 0.683 19427 609 1 2 . 1 1 27 27 ARG H H 27 8.694 8.694 7.635 1.059 19427 610 1 2 . 1 1 28 28 TYR N N 28 122.540 122.540 121.142 1.398 19427 611 1 2 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.278 -0.107 19427 612 1 2 . 1 1 28 28 TYR C C 28 177.843 177.843 177.137 0.706 19427 613 1 2 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.322 0.956 19427 614 1 2 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.494 1.219 19427 615 1 2 . 1 1 28 28 TYR H H 28 8.211 8.211 8.191 0.020 19427 616 1 2 . 1 1 29 29 ALA N N 29 120.477 120.477 121.644 -1.167 19427 617 1 2 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.859 -0.097 19427 618 1 2 . 1 1 29 29 ALA C C 29 178.739 178.739 178.669 0.070 19427 619 1 2 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.250 -0.065 19427 620 1 2 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.081 -0.152 19427 621 1 2 . 1 1 29 29 ALA H H 29 9.065 9.065 8.551 0.514 19427 622 1 2 . 1 1 30 30 ALA N N 30 118.596 118.596 120.653 -2.057 19427 623 1 2 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.038 0.249 19427 624 1 2 . 1 1 30 30 ALA C C 30 180.895 180.895 179.605 1.290 19427 625 1 2 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.209 -0.133 19427 626 1 2 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.245 -0.159 19427 627 1 2 . 1 1 30 30 ALA H H 30 7.741 7.741 7.975 -0.234 19427 628 1 2 . 1 1 31 31 THR N N 31 116.024 116.024 116.079 -0.055 19427 629 1 2 . 1 1 31 31 THR HA H 31 3.995 3.995 3.957 0.038 19427 630 1 2 . 1 1 31 31 THR C C 31 176.687 176.687 176.498 0.189 19427 631 1 2 . 1 1 31 31 THR CA C 31 66.452 66.452 67.473 -1.021 19427 632 1 2 . 1 1 31 31 THR CB C 31 68.867 68.867 68.352 0.515 19427 633 1 2 . 1 1 31 31 THR H H 31 7.914 7.914 7.914 0.000 19427 634 1 2 . 1 1 32 32 ILE N N 32 121.094 121.094 121.328 -0.234 19427 635 1 2 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.545 0.270 19427 636 1 2 . 1 1 32 32 ILE C C 32 178.583 178.583 177.557 1.026 19427 637 1 2 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.673 0.480 19427 638 1 2 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.160 0.780 19427 639 1 2 . 1 1 32 32 ILE H H 32 7.846 7.846 8.148 -0.302 19427 640 1 2 . 1 1 33 33 GLN N N 33 119.832 119.832 119.719 0.113 19427 641 1 2 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.995 -0.156 19427 642 1 2 . 1 1 33 33 GLN C C 33 178.264 178.264 179.135 -0.871 19427 643 1 2 . 1 1 33 33 GLN CA C 33 59.858 59.858 58.848 1.010 19427 644 1 2 . 1 1 33 33 GLN CB C 33 29.365 29.365 27.966 1.399 19427 645 1 2 . 1 1 33 33 GLN H H 33 8.374 8.374 8.423 -0.049 19427 646 1 2 . 1 1 34 34 SER N N 34 112.726 112.726 115.292 -2.566 19427 647 1 2 . 1 1 34 34 SER HA H 34 4.333 4.333 4.217 0.116 19427 648 1 2 . 1 1 34 34 SER C C 34 176.817 176.817 176.428 0.389 19427 649 1 2 . 1 1 34 34 SER CA C 34 60.915 60.915 61.122 -0.207 19427 650 1 2 . 1 1 34 34 SER CB C 34 63.235 63.235 62.708 0.527 19427 651 1 2 . 1 1 34 34 SER H H 34 7.816 7.816 8.471 -0.655 19427 652 1 2 . 1 1 35 35 GLN N N 35 120.724 120.724 119.329 1.395 19427 653 1 2 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.169 0.025 19427 654 1 2 . 1 1 35 35 GLN C C 35 177.930 177.930 177.928 0.002 19427 655 1 2 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.797 0.312 19427 656 1 2 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.949 0.239 19427 657 1 2 . 1 1 35 35 GLN H H 35 8.034 8.034 7.488 0.546 19427 658 1 2 . 1 1 36 36 ARG N N 36 116.267 116.267 118.172 -1.905 19427 659 1 2 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.225 0.173 19427 660 1 2 . 1 1 36 36 ARG C C 36 177.013 177.013 177.399 -0.386 19427 661 1 2 . 1 1 36 36 ARG CA C 36 56.424 56.424 55.990 0.434 19427 662 1 2 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.428 0.990 19427 663 1 2 . 1 1 36 36 ARG H H 36 8.091 8.091 8.210 -0.119 19427 664 1 2 . 1 1 37 37 GLY N N 37 109.299 109.299 108.929 0.370 19427 665 1 2 . 1 1 37 37 GLY C C 37 173.661 173.661 173.804 -0.143 19427 666 1 2 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.707 0.563 19427 667 1 2 . 1 1 37 37 GLY H H 37 7.972 7.972 7.937 0.035 19427 668 1 2 . 1 1 38 38 ASP N N 38 119.246 119.246 118.316 0.930 19427 669 1 2 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.785 -0.070 19427 670 1 2 . 1 1 38 38 ASP C C 38 175.405 175.405 175.056 0.349 19427 671 1 2 . 1 1 38 38 ASP CA C 38 53.171 53.171 52.724 0.447 19427 672 1 2 . 1 1 38 38 ASP CB C 38 41.640 41.640 43.214 -1.574 19427 673 1 2 . 1 1 38 38 ASP H H 38 7.838 7.838 7.596 0.242 19427 674 1 2 . 1 1 39 39 TYR N N 39 121.210 121.210 117.419 3.791 19427 675 1 2 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.681 -0.154 19427 676 1 2 . 1 1 39 39 TYR C C 39 176.937 176.937 175.024 1.913 19427 677 1 2 . 1 1 39 39 TYR CA C 39 58.128 58.128 56.996 1.132 19427 678 1 2 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.294 0.294 19427 679 1 2 . 1 1 39 39 TYR H H 39 8.202 8.202 8.095 0.107 19427 680 1 2 . 1 1 40 40 ASN N N 40 120.622 120.622 121.859 -1.237 19427 681 1 2 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.519 0.100 19427 682 1 2 . 1 1 40 40 ASN C C 40 175.853 175.853 175.233 0.620 19427 683 1 2 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.963 1.420 19427 684 1 2 . 1 1 40 40 ASN CB C 40 39.506 39.506 37.525 1.981 19427 685 1 2 . 1 1 40 40 ASN H H 40 8.393 8.393 7.921 0.472 19427 686 1 2 . 1 1 41 41 GLY N N 41 107.971 107.971 112.037 -4.066 19427 687 1 2 . 1 1 41 41 GLY C C 41 173.926 173.926 174.090 -0.164 19427 688 1 2 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.451 1.479 19427 689 1 2 . 1 1 41 41 GLY H H 41 8.103 8.103 8.074 0.029 19427 690 1 2 . 1 1 42 42 LYS N N 42 119.472 119.472 118.862 0.610 19427 691 1 2 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.450 0.039 19427 692 1 2 . 1 1 42 42 LYS C C 42 176.201 176.201 175.499 0.702 19427 693 1 2 . 1 1 42 42 LYS CA C 42 57.709 57.709 56.631 1.078 19427 694 1 2 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.506 0.839 19427 695 1 2 . 1 1 42 42 LYS H H 42 8.652 8.652 7.843 0.809 19427 696 1 2 . 1 1 43 43 VAL N N 43 112.852 112.852 111.268 1.584 19427 697 1 2 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.099 0.231 19427 698 1 2 . 1 1 43 43 VAL C C 43 174.906 174.906 174.052 0.854 19427 699 1 2 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.289 -0.025 19427 700 1 2 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.488 0.465 19427 701 1 2 . 1 1 43 43 VAL H H 43 7.840 7.840 7.301 0.539 19427 702 1 2 . 1 1 44 44 LEU N N 44 123.642 123.642 122.326 1.316 19427 703 1 2 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.898 -0.109 19427 704 1 2 . 1 1 44 44 LEU C C 44 175.260 175.260 175.066 0.194 19427 705 1 2 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.706 0.169 19427 706 1 2 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.321 1.177 19427 707 1 2 . 1 1 44 44 LEU H H 44 8.610 8.610 8.996 -0.386 19427 708 1 2 . 1 1 45 45 SER N N 45 124.267 124.267 121.633 2.634 19427 709 1 2 . 1 1 45 45 SER HA H 45 5.052 5.052 5.483 -0.431 19427 710 1 2 . 1 1 45 45 SER C C 45 174.246 174.246 173.893 0.353 19427 711 1 2 . 1 1 45 45 SER CA C 45 58.852 58.852 56.761 2.091 19427 712 1 2 . 1 1 45 45 SER CB C 45 63.509 63.509 63.455 0.054 19427 713 1 2 . 1 1 45 45 SER H H 45 9.111 9.111 8.525 0.586 19427 714 1 2 . 1 1 46 46 ILE N N 46 118.924 118.924 117.881 1.043 19427 715 1 2 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.740 0.040 19427 716 1 2 . 1 1 46 46 ILE C C 46 174.199 174.199 174.022 0.177 19427 717 1 2 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.360 0.242 19427 718 1 2 . 1 1 46 46 ILE CB C 46 41.595 41.595 42.119 -0.524 19427 719 1 2 . 1 1 46 46 ILE H H 46 8.542 8.542 8.993 -0.451 19427 720 1 2 . 1 1 47 47 ARG N N 47 119.572 119.572 119.099 0.473 19427 721 1 2 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.948 -0.083 19427 722 1 2 . 1 1 47 47 ARG C C 47 178.511 178.511 178.183 0.328 19427 723 1 2 . 1 1 47 47 ARG CA C 47 54.508 54.508 52.700 1.808 19427 724 1 2 . 1 1 47 47 ARG CB C 47 33.318 33.318 33.047 0.271 19427 725 1 2 . 1 1 47 47 ARG H H 47 9.488 9.488 9.359 0.129 19427 726 1 2 . 1 1 48 48 GLN N N 48 122.809 122.809 121.077 1.732 19427 727 1 2 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.961 -0.143 19427 728 1 2 . 1 1 48 48 GLN C C 48 178.972 178.972 177.243 1.729 19427 729 1 2 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.946 0.581 19427 730 1 2 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.361 -0.077 19427 731 1 2 . 1 1 48 48 GLN H H 48 9.350 9.350 9.017 0.333 19427 732 1 2 . 1 1 49 49 ASP N N 49 115.682 115.682 118.134 -2.452 19427 733 1 2 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.400 -0.040 19427 734 1 2 . 1 1 49 49 ASP C C 49 178.758 178.758 177.216 1.542 19427 735 1 2 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.085 0.272 19427 736 1 2 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.572 -0.089 19427 737 1 2 . 1 1 49 49 ASP H H 49 8.855 8.855 8.448 0.407 19427 738 1 2 . 1 1 50 50 ASP N N 50 117.926 117.926 118.993 -1.067 19427 739 1 2 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.526 0.086 19427 740 1 2 . 1 1 50 50 ASP C C 50 177.865 177.865 178.486 -0.621 19427 741 1 2 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.336 1.739 19427 742 1 2 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.423 0.216 19427 743 1 2 . 1 1 50 50 ASP H H 50 7.519 7.519 7.712 -0.193 19427 744 1 2 . 1 1 51 51 LEU N N 51 118.893 118.893 122.195 -3.302 19427 745 1 2 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.030 -0.118 19427 746 1 2 . 1 1 51 51 LEU C C 51 178.254 178.254 177.924 0.330 19427 747 1 2 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.412 0.717 19427 748 1 2 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.914 -0.517 19427 749 1 2 . 1 1 51 51 LEU H H 51 7.444 7.444 8.517 -1.073 19427 750 1 2 . 1 1 52 52 ARG N N 52 117.366 117.366 118.399 -1.033 19427 751 1 2 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.867 0.043 19427 752 1 2 . 1 1 52 52 ARG C C 52 178.886 178.886 178.129 0.757 19427 753 1 2 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.870 0.415 19427 754 1 2 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.872 -0.054 19427 755 1 2 . 1 1 52 52 ARG H H 52 7.757 7.757 8.187 -0.430 19427 756 1 2 . 1 1 53 53 THR N N 53 118.266 118.266 115.604 2.662 19427 757 1 2 . 1 1 53 53 THR HA H 53 3.924 3.924 3.942 -0.018 19427 758 1 2 . 1 1 53 53 THR C C 53 176.626 176.626 176.317 0.309 19427 759 1 2 . 1 1 53 53 THR CA C 53 67.001 67.001 66.670 0.331 19427 760 1 2 . 1 1 53 53 THR CB C 53 68.759 68.759 68.260 0.499 19427 761 1 2 . 1 1 53 53 THR H H 53 7.973 7.973 7.722 0.251 19427 762 1 2 . 1 1 54 54 LEU N N 54 122.030 122.030 120.885 1.145 19427 763 1 2 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.473 0.336 19427 764 1 2 . 1 1 54 54 LEU C C 54 177.755 177.755 177.926 -0.171 19427 765 1 2 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.716 0.107 19427 766 1 2 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.979 2.110 19427 767 1 2 . 1 1 54 54 LEU H H 54 8.355 8.355 7.296 1.059 19427 768 1 2 . 1 1 55 55 ALA N N 55 122.634 122.634 121.148 1.486 19427 769 1 2 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.947 -0.055 19427 770 1 2 . 1 1 55 55 ALA C C 55 179.192 179.192 179.502 -0.310 19427 771 1 2 . 1 1 55 55 ALA CA C 55 56.505 56.505 54.956 1.549 19427 772 1 2 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.006 -0.842 19427 773 1 2 . 1 1 55 55 ALA H H 55 8.195 8.195 7.534 0.661 19427 774 1 2 . 1 1 56 56 VAL N N 56 118.079 118.079 117.955 0.124 19427 775 1 2 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.617 0.244 19427 776 1 2 . 1 1 56 56 VAL C C 56 180.389 180.389 178.588 1.801 19427 777 1 2 . 1 1 56 56 VAL CA C 56 66.587 66.587 66.063 0.524 19427 778 1 2 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.674 0.019 19427 779 1 2 . 1 1 56 56 VAL H H 56 7.402 7.402 7.299 0.103 19427 780 1 2 . 1 1 57 57 ILE N N 57 122.536 122.536 119.262 3.274 19427 781 1 2 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.620 -0.016 19427 782 1 2 . 1 1 57 57 ILE C C 57 177.942 177.942 176.432 1.510 19427 783 1 2 . 1 1 57 57 ILE CA C 57 65.843 65.843 63.901 1.942 19427 784 1 2 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.407 0.979 19427 785 1 2 . 1 1 57 57 ILE H H 57 7.893 7.893 7.089 0.804 19427 786 1 2 . 1 1 58 58 TYR N N 58 117.060 117.060 115.453 1.607 19427 787 1 2 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.636 -0.505 19427 788 1 2 . 1 1 58 58 TYR C C 58 174.728 174.728 175.208 -0.480 19427 789 1 2 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.379 5.385 19427 790 1 2 . 1 1 58 58 TYR CB C 58 39.027 39.027 38.020 1.007 19427 791 1 2 . 1 1 58 58 TYR H H 58 8.319 8.319 7.032 1.287 19427 792 1 2 . 1 1 59 59 ASP N N 59 122.545 122.545 118.760 3.785 19427 793 1 2 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.357 -0.007 19427 794 1 2 . 1 1 59 59 ASP C C 59 174.853 174.853 175.147 -0.294 19427 795 1 2 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.644 -0.531 19427 796 1 2 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.887 -0.075 19427 797 1 2 . 1 1 59 59 ASP H H 59 8.177 8.177 7.909 0.268 19427 798 1 2 . 1 1 60 60 GLN N N 60 116.007 116.007 116.855 -0.848 19427 799 1 2 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.689 0.041 19427 800 1 2 . 1 1 60 60 GLN C C 60 174.853 174.853 174.728 0.125 19427 801 1 2 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.227 -0.715 19427 802 1 2 . 1 1 60 60 GLN CB C 60 34.384 34.384 31.915 2.469 19427 803 1 2 . 1 1 60 60 GLN H H 60 8.424 8.424 8.207 0.217 19427 804 1 2 . 1 1 61 61 SER N N 61 116.009 116.009 115.411 0.598 19427 805 1 2 . 1 1 61 61 SER HA H 61 4.783 4.783 4.804 -0.021 19427 806 1 2 . 1 1 61 61 SER CA C 61 56.443 56.443 54.358 2.085 19427 807 1 2 . 1 1 61 61 SER CB C 61 62.811 62.811 64.165 -1.354 19427 808 1 2 . 1 1 61 61 SER H H 61 8.424 8.424 8.604 -0.180 19427 809 1 2 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.191 -0.155 19427 810 1 2 . 1 1 62 62 PRO C C 62 179.161 179.161 178.323 0.838 19427 811 1 2 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.258 1.238 19427 812 1 2 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.840 -0.060 19427 813 1 2 . 1 1 63 63 SER N N 63 114.103 114.103 114.656 -0.553 19427 814 1 2 . 1 1 63 63 SER HA H 63 4.838 4.838 4.124 0.714 19427 815 1 2 . 1 1 63 63 SER C C 63 176.141 176.141 176.499 -0.358 19427 816 1 2 . 1 1 63 63 SER CB C 63 62.293 62.293 62.393 -0.100 19427 817 1 2 . 1 1 63 63 SER H H 63 8.596 8.596 7.882 0.714 19427 818 1 2 . 1 1 64 64 VAL N N 64 125.461 125.461 123.011 2.450 19427 819 1 2 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.814 -0.253 19427 820 1 2 . 1 1 64 64 VAL C C 64 178.754 178.754 178.394 0.360 19427 821 1 2 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.398 1.034 19427 822 1 2 . 1 1 64 64 VAL CB C 64 32.017 32.017 30.929 1.088 19427 823 1 2 . 1 1 64 64 VAL H H 64 7.381 7.381 8.053 -0.672 19427 824 1 2 . 1 1 65 65 LEU N N 65 121.843 121.843 121.269 0.574 19427 825 1 2 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.971 -0.072 19427 826 1 2 . 1 1 65 65 LEU C C 65 178.836 178.836 178.967 -0.131 19427 827 1 2 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.664 -1.352 19427 828 1 2 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.918 0.337 19427 829 1 2 . 1 1 65 65 LEU H H 65 8.437 8.437 8.670 -0.233 19427 830 1 2 . 1 1 66 66 THR N N 66 115.794 115.794 115.613 0.181 19427 831 1 2 . 1 1 66 66 THR HA H 66 3.321 3.321 3.828 -0.507 19427 832 1 2 . 1 1 66 66 THR C C 66 175.591 175.591 176.842 -1.251 19427 833 1 2 . 1 1 66 66 THR CA C 66 69.056 69.056 67.339 1.717 19427 834 1 2 . 1 1 66 66 THR CB C 66 67.992 67.992 68.313 -0.321 19427 835 1 2 . 1 1 66 66 THR H H 66 8.079 8.079 8.289 -0.210 19427 836 1 2 . 1 1 67 67 GLU N N 67 118.543 118.543 121.184 -2.641 19427 837 1 2 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.869 -0.028 19427 838 1 2 . 1 1 67 67 GLU C C 67 179.342 179.342 178.873 0.469 19427 839 1 2 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.534 -0.309 19427 840 1 2 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.131 -0.210 19427 841 1 2 . 1 1 67 67 GLU H H 67 7.594 7.594 8.094 -0.500 19427 842 1 2 . 1 1 68 68 GLN N N 68 120.882 120.882 119.466 1.416 19427 843 1 2 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.650 0.050 19427 844 1 2 . 1 1 68 68 GLN C C 68 177.403 177.403 177.874 -0.471 19427 845 1 2 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.383 0.011 19427 846 1 2 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.322 0.052 19427 847 1 2 . 1 1 68 68 GLN H H 68 7.847 7.847 7.713 0.135 19427 848 1 2 . 1 1 69 69 LEU N N 69 118.421 118.421 119.213 -0.792 19427 849 1 2 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.525 -0.052 19427 850 1 2 . 1 1 69 69 LEU C C 69 180.177 180.177 179.487 0.690 19427 851 1 2 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.470 0.943 19427 852 1 2 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.009 -0.038 19427 853 1 2 . 1 1 69 69 LEU H H 69 7.986 7.986 7.451 0.535 19427 854 1 2 . 1 1 70 70 ILE N N 70 121.346 121.346 120.248 1.098 19427 855 1 2 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.951 0.209 19427 856 1 2 . 1 1 70 70 ILE C C 70 180.910 180.910 179.063 1.847 19427 857 1 2 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.902 0.148 19427 858 1 2 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.700 0.645 19427 859 1 2 . 1 1 70 70 ILE H H 70 8.262 8.262 8.284 -0.022 19427 860 1 2 . 1 1 71 71 SER N N 71 120.236 120.236 116.831 3.405 19427 861 1 2 . 1 1 71 71 SER HA H 71 4.273 4.273 4.217 0.056 19427 862 1 2 . 1 1 71 71 SER C C 71 177.045 177.045 175.566 1.479 19427 863 1 2 . 1 1 71 71 SER CA C 71 62.544 62.544 61.496 1.048 19427 864 1 2 . 1 1 71 71 SER CB C 71 62.839 62.839 62.893 -0.054 19427 865 1 2 . 1 1 71 71 SER H H 71 8.388 8.388 7.760 0.628 19427 866 1 2 . 1 1 72 72 TRP N N 72 119.364 119.364 118.388 0.976 19427 867 1 2 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.813 0.113 19427 868 1 2 . 1 1 72 72 TRP C C 72 176.839 176.839 176.536 0.303 19427 869 1 2 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.069 0.695 19427 870 1 2 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.343 1.921 19427 871 1 2 . 1 1 72 72 TRP H H 72 8.066 8.066 7.414 0.652 19427 872 1 2 . 1 1 73 73 GLY N N 73 106.514 106.514 106.924 -0.410 19427 873 1 2 . 1 1 73 73 GLY C C 73 174.697 174.697 174.997 -0.300 19427 874 1 2 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.068 -0.665 19427 875 1 2 . 1 1 73 73 GLY H H 73 8.242 8.242 7.881 0.361 19427 876 1 2 . 1 1 74 74 VAL N N 74 114.793 114.793 117.462 -2.669 19427 877 1 2 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.163 0.034 19427 878 1 2 . 1 1 74 74 VAL C C 74 174.015 174.015 175.645 -1.630 19427 879 1 2 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.865 -0.752 19427 880 1 2 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.764 0.085 19427 881 1 2 . 1 1 74 74 VAL H H 74 7.834 7.834 8.155 -0.321 19427 882 1 2 . 1 1 75 75 LEU N N 75 118.357 118.357 120.821 -2.464 19427 883 1 2 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.084 -0.173 19427 884 1 2 . 1 1 75 75 LEU C C 75 175.022 175.022 175.733 -0.711 19427 885 1 2 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.799 -0.167 19427 886 1 2 . 1 1 75 75 LEU CB C 75 47.158 47.158 44.591 2.567 19427 887 1 2 . 1 1 75 75 LEU H H 75 6.898 6.898 7.762 -0.864 19427 888 1 2 . 1 1 76 76 ASP N N 76 122.400 122.400 125.586 -3.186 19427 889 1 2 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.488 0.115 19427 890 1 2 . 1 1 76 76 ASP C C 76 176.384 176.384 177.072 -0.688 19427 891 1 2 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.687 -0.304 19427 892 1 2 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.184 0.043 19427 893 1 2 . 1 1 76 76 ASP H H 76 8.412 8.412 7.921 0.491 19427 894 1 2 . 1 1 77 77 ALA N N 77 123.828 123.828 128.995 -5.167 19427 895 1 2 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.030 0.024 19427 896 1 2 . 1 1 77 77 ALA C C 77 179.068 179.068 178.795 0.273 19427 897 1 2 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.344 0.387 19427 898 1 2 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.910 -0.161 19427 899 1 2 . 1 1 77 77 ALA H H 77 8.601 8.601 8.542 0.059 19427 900 1 2 . 1 1 78 78 ASP N N 78 118.882 118.882 119.623 -0.741 19427 901 1 2 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.327 0.186 19427 902 1 2 . 1 1 78 78 ASP C C 78 174.868 174.868 177.793 -2.925 19427 903 1 2 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.588 -0.310 19427 904 1 2 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.685 0.223 19427 905 1 2 . 1 1 78 78 ASP H H 78 8.791 8.791 9.088 -0.297 19427 906 1 2 . 1 1 79 79 ALA N N 79 121.027 121.027 122.192 -1.165 19427 907 1 2 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.948 0.053 19427 908 1 2 . 1 1 79 79 ALA C C 79 178.803 178.803 179.050 -0.247 19427 909 1 2 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.864 -0.473 19427 910 1 2 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.287 1.633 19427 911 1 2 . 1 1 79 79 ALA H H 79 8.287 8.287 7.542 0.745 19427 912 1 2 . 1 1 80 80 ARG N N 80 115.805 115.805 118.070 -2.265 19427 913 1 2 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.017 -0.093 19427 914 1 2 . 1 1 80 80 ARG C C 80 178.254 178.254 178.158 0.096 19427 915 1 2 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.525 0.704 19427 916 1 2 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.991 0.266 19427 917 1 2 . 1 1 80 80 ARG H H 80 7.689 7.689 7.878 -0.189 19427 918 1 2 . 1 1 81 81 ARG N N 81 117.554 117.554 116.995 0.559 19427 919 1 2 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.371 -0.165 19427 920 1 2 . 1 1 81 81 ARG C C 81 177.214 177.214 177.074 0.140 19427 921 1 2 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.729 -0.036 19427 922 1 2 . 1 1 81 81 ARG CB C 81 30.242 30.242 30.339 -0.097 19427 923 1 2 . 1 1 81 81 ARG H H 81 7.782 7.782 8.173 -0.391 19427 924 1 2 . 1 1 82 82 ALA N N 82 121.590 121.590 123.073 -1.483 19427 925 1 2 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.396 -0.117 19427 926 1 2 . 1 1 82 82 ALA C C 82 177.798 177.798 178.170 -0.372 19427 927 1 2 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.226 -0.971 19427 928 1 2 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.029 0.534 19427 929 1 2 . 1 1 82 82 ALA H H 82 7.875 7.875 7.705 0.170 19427 930 1 2 . 1 1 83 83 VAL N N 83 114.483 114.483 114.674 -0.191 19427 931 1 2 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.910 0.231 19427 932 1 2 . 1 1 83 83 VAL C C 83 175.572 175.572 175.857 -0.285 19427 933 1 2 . 1 1 83 83 VAL CA C 83 62.041 62.041 63.667 -1.626 19427 934 1 2 . 1 1 83 83 VAL CB C 83 32.781 32.781 30.439 2.342 19427 935 1 2 . 1 1 83 83 VAL H H 83 7.503 7.503 7.604 -0.101 19427 936 1 2 . 1 1 84 84 ALA N N 84 125.870 125.870 122.674 3.196 19427 937 1 2 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.210 0.111 19427 938 1 2 . 1 1 84 84 ALA C C 84 177.696 177.696 177.669 0.027 19427 939 1 2 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.537 0.234 19427 940 1 2 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.404 -0.892 19427 941 1 2 . 1 1 84 84 ALA H H 84 7.876 7.876 7.141 0.735 19427 942 1 2 . 1 1 85 85 SER N N 85 114.965 114.965 115.245 -0.280 19427 943 1 2 . 1 1 85 85 SER HA H 85 4.396 4.396 4.586 -0.190 19427 944 1 2 . 1 1 85 85 SER CA C 85 58.393 58.393 57.593 0.800 19427 945 1 2 . 1 1 85 85 SER CB C 85 63.915 63.915 62.159 1.756 19427 946 1 2 . 1 1 85 85 SER H H 85 8.521 8.521 8.182 0.339 19427 947 1 2 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.841 -0.175 19427 948 1 2 . 1 1 86 86 HIS C C 86 174.868 174.868 175.288 -0.420 19427 949 1 2 . 1 1 86 86 HIS CA C 86 56.321 56.321 57.474 -1.153 19427 950 1 2 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.754 -0.442 19427 951 1 2 . 1 1 87 87 ASP N N 87 121.205 121.205 119.584 1.621 19427 952 1 2 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.644 -0.041 19427 953 1 2 . 1 1 87 87 ASP C C 87 175.917 175.917 175.671 0.246 19427 954 1 2 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.359 0.218 19427 955 1 2 . 1 1 87 87 ASP CB C 87 41.256 41.256 41.534 -0.278 19427 956 1 2 . 1 1 87 87 ASP H H 87 8.326 8.326 8.177 0.149 19427 957 1 2 . 1 1 88 88 GLU N N 88 121.167 121.167 121.722 -0.555 19427 958 1 2 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.405 -0.088 19427 959 1 2 . 1 1 88 88 GLU C C 88 175.455 175.455 174.520 0.935 19427 960 1 2 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.094 0.278 19427 961 1 2 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.873 -0.500 19427 962 1 2 . 1 1 88 88 GLU H H 88 8.352 8.352 8.414 -0.062 19427 963 1 3 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.340 0.061 19427 964 1 3 . 1 1 5 5 PRO C C 5 176.334 176.334 176.385 -0.051 19427 965 1 3 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.184 -0.401 19427 966 1 3 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.959 0.395 19427 967 1 3 . 1 1 6 6 LYS N N 6 121.980 121.980 123.886 -1.906 19427 968 1 3 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.502 -0.128 19427 969 1 3 . 1 1 6 6 LYS C C 6 175.715 175.715 176.766 -1.051 19427 970 1 3 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.911 0.261 19427 971 1 3 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.230 0.040 19427 972 1 3 . 1 1 6 6 LYS H H 6 8.546 8.546 8.253 0.293 19427 973 1 3 . 1 1 7 7 LEU N N 7 125.018 125.018 127.678 -2.660 19427 974 1 3 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.314 0.209 19427 975 1 3 . 1 1 7 7 LEU C C 7 174.994 174.994 175.932 -0.938 19427 976 1 3 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.591 -0.541 19427 977 1 3 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.474 1.697 19427 978 1 3 . 1 1 7 7 LEU H H 7 8.620 8.620 9.031 -0.411 19427 979 1 3 . 1 1 8 8 VAL N N 8 121.522 121.522 126.240 -4.718 19427 980 1 3 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.680 -0.133 19427 981 1 3 . 1 1 8 8 VAL C C 8 175.042 175.042 175.521 -0.479 19427 982 1 3 . 1 1 8 8 VAL CA C 8 61.206 61.206 62.109 -0.903 19427 983 1 3 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.867 2.729 19427 984 1 3 . 1 1 8 8 VAL H H 8 8.084 8.084 8.207 -0.123 19427 985 1 3 . 1 1 9 9 LEU N N 9 126.312 126.312 129.037 -2.725 19427 986 1 3 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.714 0.226 19427 987 1 3 . 1 1 9 9 LEU C C 9 175.831 175.831 175.748 0.083 19427 988 1 3 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.510 0.036 19427 989 1 3 . 1 1 9 9 LEU CB C 9 44.233 44.233 42.814 1.419 19427 990 1 3 . 1 1 9 9 LEU H H 9 9.137 9.137 9.150 -0.013 19427 991 1 3 . 1 1 10 10 ASP N N 10 123.236 123.236 124.568 -1.332 19427 992 1 3 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.690 0.158 19427 993 1 3 . 1 1 10 10 ASP C C 10 176.685 176.685 176.949 -0.264 19427 994 1 3 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.420 -0.827 19427 995 1 3 . 1 1 10 10 ASP CB C 10 40.820 40.820 42.166 -1.346 19427 996 1 3 . 1 1 10 10 ASP H H 10 9.002 9.002 8.358 0.644 19427 997 1 3 . 1 1 11 11 LEU N N 11 124.059 124.059 126.634 -2.575 19427 998 1 3 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.059 0.007 19427 999 1 3 . 1 1 11 11 LEU C C 11 180.169 180.169 178.810 1.359 19427 1000 1 3 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.616 -0.603 19427 1001 1 3 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.027 -1.177 19427 1002 1 3 . 1 1 11 11 LEU H H 11 8.273 8.273 8.267 0.006 19427 1003 1 3 . 1 1 12 12 GLU N N 12 121.967 121.967 119.633 2.334 19427 1004 1 3 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.034 0.140 19427 1005 1 3 . 1 1 12 12 GLU C C 12 179.719 179.719 179.340 0.379 19427 1006 1 3 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.477 0.151 19427 1007 1 3 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.091 0.469 19427 1008 1 3 . 1 1 12 12 GLU H H 12 8.273 8.273 8.197 0.076 19427 1009 1 3 . 1 1 13 13 ARG N N 13 119.595 119.595 119.102 0.493 19427 1010 1 3 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.139 0.033 19427 1011 1 3 . 1 1 13 13 ARG C C 13 179.909 179.909 179.052 0.857 19427 1012 1 3 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.805 -0.494 19427 1013 1 3 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.866 -0.311 19427 1014 1 3 . 1 1 13 13 ARG H H 13 8.081 8.081 9.193 -1.112 19427 1015 1 3 . 1 1 14 14 LEU N N 14 120.325 120.325 120.571 -0.246 19427 1016 1 3 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.147 -0.200 19427 1017 1 3 . 1 1 14 14 LEU C C 14 177.166 177.166 179.016 -1.850 19427 1018 1 3 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.739 -0.165 19427 1019 1 3 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.696 0.103 19427 1020 1 3 . 1 1 14 14 LEU H H 14 8.205 8.205 8.279 -0.074 19427 1021 1 3 . 1 1 15 15 ALA N N 15 117.835 117.835 118.888 -1.053 19427 1022 1 3 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.184 -0.059 19427 1023 1 3 . 1 1 15 15 ALA C C 15 178.500 178.500 178.179 0.321 19427 1024 1 3 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.117 0.203 19427 1025 1 3 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.630 0.082 19427 1026 1 3 . 1 1 15 15 ALA H H 15 7.265 7.265 7.796 -0.531 19427 1027 1 3 . 1 1 16 16 THR N N 16 105.967 105.967 111.784 -5.817 19427 1028 1 3 . 1 1 16 16 THR HA H 16 4.378 4.378 4.158 0.220 19427 1029 1 3 . 1 1 16 16 THR C C 16 174.639 174.639 174.726 -0.087 19427 1030 1 3 . 1 1 16 16 THR CA C 16 61.642 61.642 63.351 -1.709 19427 1031 1 3 . 1 1 16 16 THR CB C 16 69.957 69.957 69.173 0.784 19427 1032 1 3 . 1 1 16 16 THR H H 16 7.530 7.530 7.185 0.345 19427 1033 1 3 . 1 1 17 17 VAL N N 17 126.962 126.962 123.406 3.556 19427 1034 1 3 . 1 1 17 17 VAL HA H 17 3.985 3.985 3.916 0.069 19427 1035 1 3 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.641 0.894 19427 1036 1 3 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.751 0.637 19427 1037 1 3 . 1 1 17 17 VAL H H 17 7.208 7.208 7.083 0.125 19427 1038 1 3 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.286 -0.018 19427 1039 1 3 . 1 1 18 18 PRO C C 18 178.094 178.094 177.189 0.905 19427 1040 1 3 . 1 1 18 18 PRO CA C 18 63.848 63.848 62.958 0.890 19427 1041 1 3 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.374 0.337 19427 1042 1 3 . 1 1 19 19 ALA N N 19 128.383 128.383 125.367 3.016 19427 1043 1 3 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.043 -0.099 19427 1044 1 3 . 1 1 19 19 ALA C C 19 180.008 180.008 179.846 0.162 19427 1045 1 3 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.919 0.398 19427 1046 1 3 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.448 0.466 19427 1047 1 3 . 1 1 19 19 ALA H H 19 8.872 8.872 8.600 0.272 19427 1048 1 3 . 1 1 20 20 GLU N N 20 118.522 118.522 117.577 0.945 19427 1049 1 3 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.059 0.055 19427 1050 1 3 . 1 1 20 20 GLU C C 20 177.573 177.573 177.765 -0.192 19427 1051 1 3 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.813 0.823 19427 1052 1 3 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.099 -0.261 19427 1053 1 3 . 1 1 20 20 GLU H H 20 9.459 9.459 8.702 0.757 19427 1054 1 3 . 1 1 21 21 LYS N N 21 115.147 115.147 116.834 -1.687 19427 1055 1 3 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.385 0.267 19427 1056 1 3 . 1 1 21 21 LYS C C 21 177.045 177.045 177.723 -0.678 19427 1057 1 3 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.859 0.128 19427 1058 1 3 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.438 0.514 19427 1059 1 3 . 1 1 21 21 LYS H H 21 7.441 7.441 7.639 -0.198 19427 1060 1 3 . 1 1 22 22 ALA N N 22 119.898 119.898 120.146 -0.248 19427 1061 1 3 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.573 -0.429 19427 1062 1 3 . 1 1 22 22 ALA C C 22 177.520 177.520 179.204 -1.684 19427 1063 1 3 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.816 0.365 19427 1064 1 3 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.948 1.283 19427 1065 1 3 . 1 1 22 22 ALA H H 22 8.096 8.096 8.389 -0.293 19427 1066 1 3 . 1 1 23 23 GLY N N 23 107.148 107.148 108.889 -1.741 19427 1067 1 3 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.886 1.126 19427 1068 1 3 . 1 1 23 23 GLY H H 23 8.484 8.484 8.103 0.381 19427 1069 1 3 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.457 -0.283 19427 1070 1 3 . 1 1 24 24 PRO C C 24 179.318 179.318 178.074 1.244 19427 1071 1 3 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.113 0.840 19427 1072 1 3 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.212 0.159 19427 1073 1 3 . 1 1 25 25 LEU N N 25 118.416 118.416 121.020 -2.604 19427 1074 1 3 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.667 -0.311 19427 1075 1 3 . 1 1 25 25 LEU C C 25 177.871 177.871 179.000 -1.129 19427 1076 1 3 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.901 1.034 19427 1077 1 3 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.189 1.161 19427 1078 1 3 . 1 1 25 25 LEU H H 25 7.394 7.394 7.719 -0.325 19427 1079 1 3 . 1 1 26 26 GLN N N 26 119.819 119.819 118.123 1.696 19427 1080 1 3 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.025 -0.131 19427 1081 1 3 . 1 1 26 26 GLN C C 26 179.865 179.865 178.867 0.998 19427 1082 1 3 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.336 0.435 19427 1083 1 3 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.514 -0.960 19427 1084 1 3 . 1 1 26 26 GLN H H 26 8.885 8.885 8.691 0.194 19427 1085 1 3 . 1 1 27 27 ARG N N 27 119.761 119.761 120.401 -0.640 19427 1086 1 3 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.050 0.091 19427 1087 1 3 . 1 1 27 27 ARG C C 27 178.950 178.950 178.584 0.366 19427 1088 1 3 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.715 -0.079 19427 1089 1 3 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.142 0.274 19427 1090 1 3 . 1 1 27 27 ARG H H 27 8.694 8.694 7.873 0.821 19427 1091 1 3 . 1 1 28 28 TYR N N 28 122.540 122.540 120.702 1.838 19427 1092 1 3 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.216 -0.045 19427 1093 1 3 . 1 1 28 28 TYR C C 28 177.843 177.843 177.176 0.667 19427 1094 1 3 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.170 1.108 19427 1095 1 3 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.551 1.162 19427 1096 1 3 . 1 1 28 28 TYR H H 28 8.211 8.211 7.647 0.564 19427 1097 1 3 . 1 1 29 29 ALA N N 29 120.477 120.477 121.448 -0.971 19427 1098 1 3 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.930 -0.168 19427 1099 1 3 . 1 1 29 29 ALA C C 29 178.739 178.739 179.280 -0.541 19427 1100 1 3 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.328 -0.143 19427 1101 1 3 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.939 -0.009 19427 1102 1 3 . 1 1 29 29 ALA H H 29 9.065 9.065 8.697 0.368 19427 1103 1 3 . 1 1 30 30 ALA N N 30 118.596 118.596 120.860 -2.264 19427 1104 1 3 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.906 0.381 19427 1105 1 3 . 1 1 30 30 ALA C C 30 180.895 180.895 179.543 1.352 19427 1106 1 3 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.234 -0.158 19427 1107 1 3 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.252 -0.166 19427 1108 1 3 . 1 1 30 30 ALA H H 30 7.741 7.741 8.492 -0.751 19427 1109 1 3 . 1 1 31 31 THR N N 31 116.024 116.024 116.329 -0.305 19427 1110 1 3 . 1 1 31 31 THR HA H 31 3.995 3.995 3.881 0.114 19427 1111 1 3 . 1 1 31 31 THR C C 31 176.687 176.687 176.641 0.046 19427 1112 1 3 . 1 1 31 31 THR CA C 31 66.452 66.452 66.876 -0.424 19427 1113 1 3 . 1 1 31 31 THR CB C 31 68.867 68.867 68.600 0.267 19427 1114 1 3 . 1 1 31 31 THR H H 31 7.914 7.914 7.485 0.429 19427 1115 1 3 . 1 1 32 32 ILE N N 32 121.094 121.094 121.666 -0.572 19427 1116 1 3 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.659 0.156 19427 1117 1 3 . 1 1 32 32 ILE C C 32 178.583 178.583 177.888 0.695 19427 1118 1 3 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.042 1.111 19427 1119 1 3 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.528 0.412 19427 1120 1 3 . 1 1 32 32 ILE H H 32 7.846 7.846 8.063 -0.217 19427 1121 1 3 . 1 1 33 33 GLN N N 33 119.832 119.832 119.869 -0.037 19427 1122 1 3 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.849 -0.010 19427 1123 1 3 . 1 1 33 33 GLN C C 33 178.264 178.264 178.656 -0.392 19427 1124 1 3 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.540 0.318 19427 1125 1 3 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.360 1.005 19427 1126 1 3 . 1 1 33 33 GLN H H 33 8.374 8.374 8.783 -0.409 19427 1127 1 3 . 1 1 34 34 SER N N 34 112.726 112.726 114.079 -1.353 19427 1128 1 3 . 1 1 34 34 SER HA H 34 4.333 4.333 3.159 1.174 19427 1129 1 3 . 1 1 34 34 SER C C 34 176.817 176.817 176.750 0.067 19427 1130 1 3 . 1 1 34 34 SER CA C 34 60.915 60.915 60.864 0.051 19427 1131 1 3 . 1 1 34 34 SER CB C 34 63.235 63.235 62.817 0.418 19427 1132 1 3 . 1 1 34 34 SER H H 34 7.816 7.816 8.047 -0.232 19427 1133 1 3 . 1 1 35 35 GLN N N 35 120.724 120.724 118.296 2.428 19427 1134 1 3 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.196 -0.002 19427 1135 1 3 . 1 1 35 35 GLN C C 35 177.930 177.930 178.032 -0.102 19427 1136 1 3 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.871 0.238 19427 1137 1 3 . 1 1 35 35 GLN CB C 35 29.188 29.188 29.037 0.151 19427 1138 1 3 . 1 1 35 35 GLN H H 35 8.034 8.034 8.007 0.027 19427 1139 1 3 . 1 1 36 36 ARG N N 36 116.267 116.267 117.322 -1.055 19427 1140 1 3 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.497 -0.099 19427 1141 1 3 . 1 1 36 36 ARG C C 36 177.013 177.013 178.322 -1.309 19427 1142 1 3 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.423 0.000 19427 1143 1 3 . 1 1 36 36 ARG CB C 36 31.418 31.418 31.620 -0.202 19427 1144 1 3 . 1 1 36 36 ARG H H 36 8.091 8.091 8.338 -0.247 19427 1145 1 3 . 1 1 37 37 GLY N N 37 109.299 109.299 107.726 1.573 19427 1146 1 3 . 1 1 37 37 GLY C C 37 173.661 173.661 174.352 -0.691 19427 1147 1 3 . 1 1 37 37 GLY CA C 37 46.270 46.270 44.784 1.486 19427 1148 1 3 . 1 1 37 37 GLY H H 37 7.972 7.972 8.078 -0.106 19427 1149 1 3 . 1 1 38 38 ASP N N 38 119.246 119.246 119.354 -0.108 19427 1150 1 3 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.143 0.572 19427 1151 1 3 . 1 1 38 38 ASP C C 38 175.405 175.405 175.374 0.031 19427 1152 1 3 . 1 1 38 38 ASP CA C 38 53.171 53.171 54.621 -1.450 19427 1153 1 3 . 1 1 38 38 ASP CB C 38 41.640 41.640 39.531 2.109 19427 1154 1 3 . 1 1 38 38 ASP H H 38 7.838 7.838 7.876 -0.038 19427 1155 1 3 . 1 1 39 39 TYR N N 39 121.210 121.210 117.181 4.029 19427 1156 1 3 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.022 0.505 19427 1157 1 3 . 1 1 39 39 TYR C C 39 176.937 176.937 174.661 2.276 19427 1158 1 3 . 1 1 39 39 TYR CA C 39 58.128 58.128 59.046 -0.918 19427 1159 1 3 . 1 1 39 39 TYR CB C 39 38.588 38.588 37.619 0.969 19427 1160 1 3 . 1 1 39 39 TYR H H 39 8.202 8.202 7.800 0.402 19427 1161 1 3 . 1 1 40 40 ASN N N 40 120.622 120.622 120.482 0.140 19427 1162 1 3 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.828 -0.209 19427 1163 1 3 . 1 1 40 40 ASN C C 40 175.853 175.853 174.297 1.556 19427 1164 1 3 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.682 1.701 19427 1165 1 3 . 1 1 40 40 ASN CB C 40 39.506 39.506 40.201 -0.695 19427 1166 1 3 . 1 1 40 40 ASN H H 40 8.393 8.393 8.362 0.031 19427 1167 1 3 . 1 1 41 41 GLY N N 41 107.971 107.971 111.075 -3.104 19427 1168 1 3 . 1 1 41 41 GLY C C 41 173.926 173.926 173.737 0.189 19427 1169 1 3 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.563 1.367 19427 1170 1 3 . 1 1 41 41 GLY H H 41 8.103 8.103 8.716 -0.613 19427 1171 1 3 . 1 1 42 42 LYS N N 42 119.472 119.472 119.314 0.158 19427 1172 1 3 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.401 0.088 19427 1173 1 3 . 1 1 42 42 LYS C C 42 176.201 176.201 175.683 0.518 19427 1174 1 3 . 1 1 42 42 LYS CA C 42 57.709 57.709 58.108 -0.399 19427 1175 1 3 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.308 0.037 19427 1176 1 3 . 1 1 42 42 LYS H H 42 8.652 8.652 8.160 0.492 19427 1177 1 3 . 1 1 43 43 VAL N N 43 112.852 112.852 113.538 -0.686 19427 1178 1 3 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.002 0.328 19427 1179 1 3 . 1 1 43 43 VAL C C 43 174.906 174.906 174.537 0.369 19427 1180 1 3 . 1 1 43 43 VAL CA C 43 59.264 59.264 60.111 -0.847 19427 1181 1 3 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.592 0.361 19427 1182 1 3 . 1 1 43 43 VAL H H 43 7.840 7.840 7.908 -0.068 19427 1183 1 3 . 1 1 44 44 LEU N N 44 123.642 123.642 123.045 0.597 19427 1184 1 3 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.831 -0.042 19427 1185 1 3 . 1 1 44 44 LEU C C 44 175.260 175.260 175.166 0.094 19427 1186 1 3 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.014 -0.138 19427 1187 1 3 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.432 1.066 19427 1188 1 3 . 1 1 44 44 LEU H H 44 8.610 8.610 9.012 -0.402 19427 1189 1 3 . 1 1 45 45 SER N N 45 124.267 124.267 122.749 1.518 19427 1190 1 3 . 1 1 45 45 SER HA H 45 5.052 5.052 5.194 -0.142 19427 1191 1 3 . 1 1 45 45 SER C C 45 174.246 174.246 173.868 0.378 19427 1192 1 3 . 1 1 45 45 SER CA C 45 58.852 58.852 57.313 1.538 19427 1193 1 3 . 1 1 45 45 SER CB C 45 63.509 63.509 63.358 0.151 19427 1194 1 3 . 1 1 45 45 SER H H 45 9.111 9.111 8.726 0.385 19427 1195 1 3 . 1 1 46 46 ILE N N 46 118.924 118.924 121.148 -2.224 19427 1196 1 3 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.969 -0.189 19427 1197 1 3 . 1 1 46 46 ILE C C 46 174.199 174.199 174.311 -0.112 19427 1198 1 3 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.800 0.802 19427 1199 1 3 . 1 1 46 46 ILE CB C 46 41.595 41.595 42.071 -0.476 19427 1200 1 3 . 1 1 46 46 ILE H H 46 8.542 8.542 8.952 -0.410 19427 1201 1 3 . 1 1 47 47 ARG N N 47 119.572 119.572 119.330 0.242 19427 1202 1 3 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.739 0.126 19427 1203 1 3 . 1 1 47 47 ARG C C 47 178.511 178.511 178.054 0.457 19427 1204 1 3 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.672 -0.165 19427 1205 1 3 . 1 1 47 47 ARG CB C 47 33.318 33.318 32.615 0.703 19427 1206 1 3 . 1 1 47 47 ARG H H 47 9.488 9.488 9.536 -0.048 19427 1207 1 3 . 1 1 48 48 GLN N N 48 122.809 122.809 119.857 2.952 19427 1208 1 3 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.027 -0.209 19427 1209 1 3 . 1 1 48 48 GLN C C 48 178.972 178.972 176.991 1.981 19427 1210 1 3 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.083 1.444 19427 1211 1 3 . 1 1 48 48 GLN CB C 48 28.284 28.284 27.782 0.502 19427 1212 1 3 . 1 1 48 48 GLN H H 48 9.350 9.350 8.974 0.376 19427 1213 1 3 . 1 1 49 49 ASP N N 49 115.682 115.682 120.687 -5.005 19427 1214 1 3 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.416 -0.056 19427 1215 1 3 . 1 1 49 49 ASP C C 49 178.758 178.758 178.210 0.548 19427 1216 1 3 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.527 -0.170 19427 1217 1 3 . 1 1 49 49 ASP CB C 49 40.483 40.483 39.805 0.678 19427 1218 1 3 . 1 1 49 49 ASP H H 49 8.855 8.855 8.746 0.109 19427 1219 1 3 . 1 1 50 50 ASP N N 50 117.926 117.926 119.517 -1.591 19427 1220 1 3 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.473 0.139 19427 1221 1 3 . 1 1 50 50 ASP C C 50 177.865 177.865 178.498 -0.633 19427 1222 1 3 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.057 1.018 19427 1223 1 3 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.746 0.893 19427 1224 1 3 . 1 1 50 50 ASP H H 50 7.519 7.519 8.188 -0.669 19427 1225 1 3 . 1 1 51 51 LEU N N 51 118.893 118.893 121.353 -2.460 19427 1226 1 3 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.965 -0.053 19427 1227 1 3 . 1 1 51 51 LEU C C 51 178.254 178.254 178.006 0.248 19427 1228 1 3 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.498 0.631 19427 1229 1 3 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.060 -0.663 19427 1230 1 3 . 1 1 51 51 LEU H H 51 7.444 7.444 7.757 -0.313 19427 1231 1 3 . 1 1 52 52 ARG N N 52 117.366 117.366 118.966 -1.600 19427 1232 1 3 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.870 0.040 19427 1233 1 3 . 1 1 52 52 ARG C C 52 178.886 178.886 178.084 0.802 19427 1234 1 3 . 1 1 52 52 ARG CA C 52 60.285 60.285 60.390 -0.105 19427 1235 1 3 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.002 -0.184 19427 1236 1 3 . 1 1 52 52 ARG H H 52 7.757 7.757 8.115 -0.358 19427 1237 1 3 . 1 1 53 53 THR N N 53 118.266 118.266 115.651 2.615 19427 1238 1 3 . 1 1 53 53 THR HA H 53 3.924 3.924 4.029 -0.105 19427 1239 1 3 . 1 1 53 53 THR C C 53 176.626 176.626 176.517 0.109 19427 1240 1 3 . 1 1 53 53 THR CA C 53 67.001 67.001 66.034 0.967 19427 1241 1 3 . 1 1 53 53 THR CB C 53 68.759 68.759 68.268 0.491 19427 1242 1 3 . 1 1 53 53 THR H H 53 7.973 7.973 7.284 0.689 19427 1243 1 3 . 1 1 54 54 LEU N N 54 122.030 122.030 121.812 0.218 19427 1244 1 3 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.410 0.399 19427 1245 1 3 . 1 1 54 54 LEU C C 54 177.755 177.755 178.216 -0.461 19427 1246 1 3 . 1 1 54 54 LEU CA C 54 57.823 57.823 58.013 -0.189 19427 1247 1 3 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.971 2.118 19427 1248 1 3 . 1 1 54 54 LEU H H 54 8.355 8.355 7.854 0.501 19427 1249 1 3 . 1 1 55 55 ALA N N 55 122.634 122.634 119.880 2.754 19427 1250 1 3 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.995 -0.103 19427 1251 1 3 . 1 1 55 55 ALA C C 55 179.192 179.192 179.096 0.096 19427 1252 1 3 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.239 1.266 19427 1253 1 3 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.072 -0.908 19427 1254 1 3 . 1 1 55 55 ALA H H 55 8.195 8.195 8.311 -0.116 19427 1255 1 3 . 1 1 56 56 VAL N N 56 118.079 118.079 117.608 0.471 19427 1256 1 3 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.727 0.134 19427 1257 1 3 . 1 1 56 56 VAL C C 56 180.389 180.389 177.899 2.490 19427 1258 1 3 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.726 0.861 19427 1259 1 3 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.395 0.298 19427 1260 1 3 . 1 1 56 56 VAL H H 56 7.402 7.402 7.094 0.308 19427 1261 1 3 . 1 1 57 57 ILE N N 57 122.536 122.536 119.544 2.992 19427 1262 1 3 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.629 -0.025 19427 1263 1 3 . 1 1 57 57 ILE C C 57 177.942 177.942 177.350 0.592 19427 1264 1 3 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.438 1.405 19427 1265 1 3 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.819 0.567 19427 1266 1 3 . 1 1 57 57 ILE H H 57 7.893 7.893 7.250 0.643 19427 1267 1 3 . 1 1 58 58 TYR N N 58 117.060 117.060 116.021 1.039 19427 1268 1 3 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.509 -0.378 19427 1269 1 3 . 1 1 58 58 TYR C C 58 174.728 174.728 175.597 -0.869 19427 1270 1 3 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.149 4.615 19427 1271 1 3 . 1 1 58 58 TYR CB C 58 39.027 39.027 38.437 0.590 19427 1272 1 3 . 1 1 58 58 TYR H H 58 8.319 8.319 7.317 1.002 19427 1273 1 3 . 1 1 59 59 ASP N N 59 122.545 122.545 118.650 3.895 19427 1274 1 3 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.328 0.022 19427 1275 1 3 . 1 1 59 59 ASP C C 59 174.853 174.853 174.859 -0.006 19427 1276 1 3 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.243 -0.130 19427 1277 1 3 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.698 0.114 19427 1278 1 3 . 1 1 59 59 ASP H H 59 8.177 8.177 7.834 0.343 19427 1279 1 3 . 1 1 60 60 GLN N N 60 116.007 116.007 118.667 -2.660 19427 1280 1 3 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.715 0.015 19427 1281 1 3 . 1 1 60 60 GLN C C 60 174.853 174.853 174.318 0.535 19427 1282 1 3 . 1 1 60 60 GLN CA C 60 53.513 53.513 52.936 0.577 19427 1283 1 3 . 1 1 60 60 GLN CB C 60 34.384 34.384 33.042 1.342 19427 1284 1 3 . 1 1 60 60 GLN H H 60 8.424 8.424 8.294 0.130 19427 1285 1 3 . 1 1 61 61 SER N N 61 116.009 116.009 116.208 -0.199 19427 1286 1 3 . 1 1 61 61 SER HA H 61 4.783 4.783 4.762 0.021 19427 1287 1 3 . 1 1 61 61 SER CA C 61 56.443 56.443 55.304 1.139 19427 1288 1 3 . 1 1 61 61 SER CB C 61 62.811 62.811 64.207 -1.395 19427 1289 1 3 . 1 1 61 61 SER H H 61 8.424 8.424 8.567 -0.143 19427 1290 1 3 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.166 -0.130 19427 1291 1 3 . 1 1 62 62 PRO C C 62 179.161 179.161 178.414 0.747 19427 1292 1 3 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.126 1.369 19427 1293 1 3 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.856 -0.076 19427 1294 1 3 . 1 1 63 63 SER N N 63 114.103 114.103 112.815 1.288 19427 1295 1 3 . 1 1 63 63 SER HA H 63 4.838 4.838 4.129 0.709 19427 1296 1 3 . 1 1 63 63 SER C C 63 176.141 176.141 176.042 0.099 19427 1297 1 3 . 1 1 63 63 SER CB C 63 62.293 62.293 62.929 -0.637 19427 1298 1 3 . 1 1 63 63 SER H H 63 8.596 8.596 7.836 0.760 19427 1299 1 3 . 1 1 64 64 VAL N N 64 125.461 125.461 121.175 4.286 19427 1300 1 3 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.772 -0.211 19427 1301 1 3 . 1 1 64 64 VAL C C 64 178.754 178.754 177.511 1.243 19427 1302 1 3 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.250 1.182 19427 1303 1 3 . 1 1 64 64 VAL CB C 64 32.017 32.017 30.959 1.058 19427 1304 1 3 . 1 1 64 64 VAL H H 64 7.381 7.381 7.369 0.012 19427 1305 1 3 . 1 1 65 65 LEU N N 65 121.843 121.843 122.336 -0.493 19427 1306 1 3 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.930 -0.031 19427 1307 1 3 . 1 1 65 65 LEU C C 65 178.836 178.836 178.741 0.095 19427 1308 1 3 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.884 -1.572 19427 1309 1 3 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.718 0.537 19427 1310 1 3 . 1 1 65 65 LEU H H 65 8.437 8.437 8.743 -0.306 19427 1311 1 3 . 1 1 66 66 THR N N 66 115.794 115.794 115.209 0.585 19427 1312 1 3 . 1 1 66 66 THR HA H 66 3.321 3.321 3.810 -0.489 19427 1313 1 3 . 1 1 66 66 THR C C 66 175.591 175.591 176.395 -0.804 19427 1314 1 3 . 1 1 66 66 THR CA C 66 69.056 69.056 67.570 1.486 19427 1315 1 3 . 1 1 66 66 THR CB C 66 67.992 67.992 68.363 -0.371 19427 1316 1 3 . 1 1 66 66 THR H H 66 8.079 8.079 8.255 -0.176 19427 1317 1 3 . 1 1 67 67 GLU N N 67 118.543 118.543 121.651 -3.108 19427 1318 1 3 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.759 0.082 19427 1319 1 3 . 1 1 67 67 GLU C C 67 179.342 179.342 178.706 0.636 19427 1320 1 3 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.692 -0.467 19427 1321 1 3 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.339 -0.418 19427 1322 1 3 . 1 1 67 67 GLU H H 67 7.594 7.594 7.861 -0.267 19427 1323 1 3 . 1 1 68 68 GLN N N 68 120.882 120.882 119.488 1.394 19427 1324 1 3 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.611 0.089 19427 1325 1 3 . 1 1 68 68 GLN C C 68 177.403 177.403 177.982 -0.579 19427 1326 1 3 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.411 -0.017 19427 1327 1 3 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.223 0.151 19427 1328 1 3 . 1 1 68 68 GLN H H 68 7.847 7.847 8.146 -0.299 19427 1329 1 3 . 1 1 69 69 LEU N N 69 118.421 118.421 119.397 -0.976 19427 1330 1 3 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.700 -0.227 19427 1331 1 3 . 1 1 69 69 LEU C C 69 180.177 180.177 179.502 0.675 19427 1332 1 3 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.645 0.768 19427 1333 1 3 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.881 0.090 19427 1334 1 3 . 1 1 69 69 LEU H H 69 7.986 7.986 7.495 0.491 19427 1335 1 3 . 1 1 70 70 ILE N N 70 121.346 121.346 120.689 0.657 19427 1336 1 3 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.966 0.194 19427 1337 1 3 . 1 1 70 70 ILE C C 70 180.910 180.910 179.176 1.734 19427 1338 1 3 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.944 0.106 19427 1339 1 3 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.815 0.530 19427 1340 1 3 . 1 1 70 70 ILE H H 70 8.262 8.262 8.269 -0.007 19427 1341 1 3 . 1 1 71 71 SER N N 71 120.236 120.236 116.299 3.937 19427 1342 1 3 . 1 1 71 71 SER HA H 71 4.273 4.273 4.216 0.057 19427 1343 1 3 . 1 1 71 71 SER C C 71 177.045 177.045 175.922 1.123 19427 1344 1 3 . 1 1 71 71 SER CA C 71 62.544 62.544 61.569 0.975 19427 1345 1 3 . 1 1 71 71 SER CB C 71 62.839 62.839 62.912 -0.073 19427 1346 1 3 . 1 1 71 71 SER H H 71 8.388 8.388 8.040 0.348 19427 1347 1 3 . 1 1 72 72 TRP N N 72 119.364 119.364 119.046 0.318 19427 1348 1 3 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.667 0.259 19427 1349 1 3 . 1 1 72 72 TRP C C 72 176.839 176.839 177.311 -0.472 19427 1350 1 3 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.177 -1.413 19427 1351 1 3 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.886 2.378 19427 1352 1 3 . 1 1 72 72 TRP H H 72 8.066 8.066 8.071 -0.005 19427 1353 1 3 . 1 1 73 73 GLY N N 73 106.514 106.514 106.061 0.453 19427 1354 1 3 . 1 1 73 73 GLY C C 73 174.697 174.697 174.959 -0.262 19427 1355 1 3 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.534 -0.131 19427 1356 1 3 . 1 1 73 73 GLY H H 73 8.242 8.242 7.697 0.545 19427 1357 1 3 . 1 1 74 74 VAL N N 74 114.793 114.793 120.209 -5.416 19427 1358 1 3 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.090 0.107 19427 1359 1 3 . 1 1 74 74 VAL C C 74 174.015 174.015 175.419 -1.404 19427 1360 1 3 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.486 -1.373 19427 1361 1 3 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.707 0.142 19427 1362 1 3 . 1 1 74 74 VAL H H 74 7.834 7.834 8.252 -0.418 19427 1363 1 3 . 1 1 75 75 LEU N N 75 118.357 118.357 120.019 -1.662 19427 1364 1 3 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.987 -0.076 19427 1365 1 3 . 1 1 75 75 LEU C C 75 175.022 175.022 175.661 -0.639 19427 1366 1 3 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.754 -0.122 19427 1367 1 3 . 1 1 75 75 LEU CB C 75 47.158 47.158 44.990 2.168 19427 1368 1 3 . 1 1 75 75 LEU H H 75 6.898 6.898 7.729 -0.831 19427 1369 1 3 . 1 1 76 76 ASP N N 76 122.400 122.400 123.560 -1.160 19427 1370 1 3 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.666 -0.063 19427 1371 1 3 . 1 1 76 76 ASP C C 76 176.384 176.384 177.127 -0.743 19427 1372 1 3 . 1 1 76 76 ASP CA C 76 54.383 54.383 53.908 0.475 19427 1373 1 3 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.265 -0.038 19427 1374 1 3 . 1 1 76 76 ASP H H 76 8.412 8.412 8.764 -0.352 19427 1375 1 3 . 1 1 77 77 ALA N N 77 123.828 123.828 128.185 -4.357 19427 1376 1 3 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.008 0.046 19427 1377 1 3 . 1 1 77 77 ALA C C 77 179.068 179.068 179.347 -0.279 19427 1378 1 3 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.892 -0.161 19427 1379 1 3 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.880 -0.131 19427 1380 1 3 . 1 1 77 77 ALA H H 77 8.601 8.601 8.589 0.012 19427 1381 1 3 . 1 1 78 78 ASP N N 78 118.882 118.882 119.104 -0.222 19427 1382 1 3 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.345 0.168 19427 1383 1 3 . 1 1 78 78 ASP C C 78 174.868 174.868 178.302 -3.434 19427 1384 1 3 . 1 1 78 78 ASP CA C 78 56.278 56.278 57.585 -1.307 19427 1385 1 3 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.445 0.463 19427 1386 1 3 . 1 1 78 78 ASP H H 78 8.791 8.791 8.213 0.578 19427 1387 1 3 . 1 1 79 79 ALA N N 79 121.027 121.027 122.046 -1.019 19427 1388 1 3 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.114 -0.113 19427 1389 1 3 . 1 1 79 79 ALA C C 79 178.803 178.803 179.257 -0.454 19427 1390 1 3 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.540 -0.149 19427 1391 1 3 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.399 1.521 19427 1392 1 3 . 1 1 79 79 ALA H H 79 8.287 8.287 7.554 0.733 19427 1393 1 3 . 1 1 80 80 ARG N N 80 115.805 115.805 117.007 -1.202 19427 1394 1 3 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.903 0.021 19427 1395 1 3 . 1 1 80 80 ARG C C 80 178.254 178.254 177.747 0.507 19427 1396 1 3 . 1 1 80 80 ARG CA C 80 59.229 59.229 59.092 0.138 19427 1397 1 3 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.570 0.687 19427 1398 1 3 . 1 1 80 80 ARG H H 80 7.689 7.689 8.170 -0.481 19427 1399 1 3 . 1 1 81 81 ARG N N 81 117.554 117.554 118.279 -0.725 19427 1400 1 3 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.597 -0.391 19427 1401 1 3 . 1 1 81 81 ARG C C 81 177.214 177.214 176.896 0.318 19427 1402 1 3 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.486 0.207 19427 1403 1 3 . 1 1 81 81 ARG CB C 81 30.242 30.242 30.042 0.200 19427 1404 1 3 . 1 1 81 81 ARG H H 81 7.782 7.782 7.795 -0.013 19427 1405 1 3 . 1 1 82 82 ALA N N 82 121.590 121.590 119.893 1.697 19427 1406 1 3 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.275 0.004 19427 1407 1 3 . 1 1 82 82 ALA C C 82 177.798 177.798 178.008 -0.210 19427 1408 1 3 . 1 1 82 82 ALA CA C 82 53.255 53.255 53.675 -0.420 19427 1409 1 3 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.314 0.249 19427 1410 1 3 . 1 1 82 82 ALA H H 82 7.875 7.875 7.648 0.227 19427 1411 1 3 . 1 1 83 83 VAL N N 83 114.483 114.483 116.353 -1.870 19427 1412 1 3 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.150 -0.009 19427 1413 1 3 . 1 1 83 83 VAL C C 83 175.572 175.572 175.798 -0.226 19427 1414 1 3 . 1 1 83 83 VAL CA C 83 62.041 62.041 63.100 -1.059 19427 1415 1 3 . 1 1 83 83 VAL CB C 83 32.781 32.781 33.166 -0.385 19427 1416 1 3 . 1 1 83 83 VAL H H 83 7.503 7.503 7.258 0.245 19427 1417 1 3 . 1 1 84 84 ALA N N 84 125.870 125.870 122.026 3.844 19427 1418 1 3 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.666 -0.345 19427 1419 1 3 . 1 1 84 84 ALA C C 84 177.696 177.696 175.362 2.334 19427 1420 1 3 . 1 1 84 84 ALA CA C 84 52.771 52.771 51.522 1.250 19427 1421 1 3 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.901 -1.389 19427 1422 1 3 . 1 1 84 84 ALA H H 84 7.876 7.876 8.274 -0.398 19427 1423 1 3 . 1 1 85 85 SER N N 85 114.965 114.965 118.590 -3.625 19427 1424 1 3 . 1 1 85 85 SER HA H 85 4.396 4.396 4.596 -0.200 19427 1425 1 3 . 1 1 85 85 SER CA C 85 58.393 58.393 57.230 1.163 19427 1426 1 3 . 1 1 85 85 SER CB C 85 63.915 63.915 64.438 -0.523 19427 1427 1 3 . 1 1 85 85 SER H H 85 8.521 8.521 8.475 0.046 19427 1428 1 3 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.451 0.215 19427 1429 1 3 . 1 1 86 86 HIS C C 86 174.868 174.868 173.825 1.043 19427 1430 1 3 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.464 -0.143 19427 1431 1 3 . 1 1 86 86 HIS CB C 86 30.312 30.312 28.664 1.648 19427 1432 1 3 . 1 1 87 87 ASP N N 87 121.205 121.205 122.359 -1.154 19427 1433 1 3 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.706 -0.103 19427 1434 1 3 . 1 1 87 87 ASP C C 87 175.917 175.917 176.446 -0.529 19427 1435 1 3 . 1 1 87 87 ASP CA C 87 54.577 54.577 53.355 1.222 19427 1436 1 3 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.050 -0.794 19427 1437 1 3 . 1 1 87 87 ASP H H 87 8.326 8.326 8.011 0.315 19427 1438 1 3 . 1 1 88 88 GLU N N 88 121.167 121.167 118.432 2.735 19427 1439 1 3 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.417 -0.100 19427 1440 1 3 . 1 1 88 88 GLU C C 88 175.455 175.455 176.261 -0.806 19427 1441 1 3 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.258 0.114 19427 1442 1 3 . 1 1 88 88 GLU CB C 88 30.373 30.373 29.577 0.796 19427 1443 1 3 . 1 1 88 88 GLU H H 88 8.352 8.352 8.792 -0.440 19427 1444 1 4 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.396 0.005 19427 1445 1 4 . 1 1 5 5 PRO C C 5 176.334 176.334 176.013 0.321 19427 1446 1 4 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.547 0.236 19427 1447 1 4 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.375 -0.021 19427 1448 1 4 . 1 1 6 6 LYS N N 6 121.980 121.980 123.132 -1.152 19427 1449 1 4 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.319 0.055 19427 1450 1 4 . 1 1 6 6 LYS C C 6 175.715 175.715 176.431 -0.716 19427 1451 1 4 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.322 0.850 19427 1452 1 4 . 1 1 6 6 LYS CB C 6 33.270 33.270 31.872 1.398 19427 1453 1 4 . 1 1 6 6 LYS H H 6 8.546 8.546 8.276 0.270 19427 1454 1 4 . 1 1 7 7 LEU N N 7 125.018 125.018 127.777 -2.759 19427 1455 1 4 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.417 0.106 19427 1456 1 4 . 1 1 7 7 LEU C C 7 174.994 174.994 175.744 -0.750 19427 1457 1 4 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.664 -0.614 19427 1458 1 4 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.877 1.294 19427 1459 1 4 . 1 1 7 7 LEU H H 7 8.620 8.620 8.060 0.560 19427 1460 1 4 . 1 1 8 8 VAL N N 8 121.522 121.522 124.924 -3.402 19427 1461 1 4 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.518 0.029 19427 1462 1 4 . 1 1 8 8 VAL C C 8 175.042 175.042 175.157 -0.115 19427 1463 1 4 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.492 -0.286 19427 1464 1 4 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.578 2.018 19427 1465 1 4 . 1 1 8 8 VAL H H 8 8.084 8.084 8.270 -0.186 19427 1466 1 4 . 1 1 9 9 LEU N N 9 126.312 126.312 129.806 -3.494 19427 1467 1 4 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.020 -0.080 19427 1468 1 4 . 1 1 9 9 LEU C C 9 175.831 175.831 175.989 -0.158 19427 1469 1 4 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.452 0.094 19427 1470 1 4 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.191 1.042 19427 1471 1 4 . 1 1 9 9 LEU H H 9 9.137 9.137 9.317 -0.180 19427 1472 1 4 . 1 1 10 10 ASP N N 10 123.236 123.236 125.622 -2.386 19427 1473 1 4 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.816 0.032 19427 1474 1 4 . 1 1 10 10 ASP C C 10 176.685 176.685 177.087 -0.402 19427 1475 1 4 . 1 1 10 10 ASP CA C 10 53.593 53.593 55.406 -1.813 19427 1476 1 4 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.117 -0.297 19427 1477 1 4 . 1 1 10 10 ASP H H 10 9.002 9.002 8.468 0.534 19427 1478 1 4 . 1 1 11 11 LEU N N 11 124.059 124.059 125.642 -1.583 19427 1479 1 4 . 1 1 11 11 LEU HA H 11 4.066 4.066 3.980 0.086 19427 1480 1 4 . 1 1 11 11 LEU C C 11 180.169 180.169 178.636 1.533 19427 1481 1 4 . 1 1 11 11 LEU CA C 11 57.013 57.013 58.177 -1.164 19427 1482 1 4 . 1 1 11 11 LEU CB C 11 40.850 40.850 41.951 -1.101 19427 1483 1 4 . 1 1 11 11 LEU H H 11 8.273 8.273 8.523 -0.250 19427 1484 1 4 . 1 1 12 12 GLU N N 12 121.967 121.967 118.167 3.800 19427 1485 1 4 . 1 1 12 12 GLU HA H 12 4.174 4.174 3.943 0.231 19427 1486 1 4 . 1 1 12 12 GLU C C 12 179.719 179.719 178.820 0.899 19427 1487 1 4 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.672 -0.044 19427 1488 1 4 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.272 0.288 19427 1489 1 4 . 1 1 12 12 GLU H H 12 8.273 8.273 7.633 0.640 19427 1490 1 4 . 1 1 13 13 ARG N N 13 119.595 119.595 120.106 -0.511 19427 1491 1 4 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.189 -0.017 19427 1492 1 4 . 1 1 13 13 ARG C C 13 179.909 179.909 178.919 0.990 19427 1493 1 4 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.987 -0.676 19427 1494 1 4 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.727 -0.172 19427 1495 1 4 . 1 1 13 13 ARG H H 13 8.081 8.081 8.130 -0.049 19427 1496 1 4 . 1 1 14 14 LEU N N 14 120.325 120.325 121.211 -0.886 19427 1497 1 4 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.159 -0.212 19427 1498 1 4 . 1 1 14 14 LEU C C 14 177.166 177.166 178.128 -0.962 19427 1499 1 4 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.349 0.225 19427 1500 1 4 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.873 -0.075 19427 1501 1 4 . 1 1 14 14 LEU H H 14 8.205 8.205 8.284 -0.079 19427 1502 1 4 . 1 1 15 15 ALA N N 15 117.835 117.835 118.499 -0.664 19427 1503 1 4 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.235 -0.110 19427 1504 1 4 . 1 1 15 15 ALA C C 15 178.500 178.500 177.902 0.598 19427 1505 1 4 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.591 0.729 19427 1506 1 4 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.558 0.154 19427 1507 1 4 . 1 1 15 15 ALA H H 15 7.265 7.265 7.642 -0.377 19427 1508 1 4 . 1 1 16 16 THR N N 16 105.967 105.967 112.807 -6.840 19427 1509 1 4 . 1 1 16 16 THR HA H 16 4.378 4.378 4.394 -0.016 19427 1510 1 4 . 1 1 16 16 THR C C 16 174.639 174.639 174.150 0.489 19427 1511 1 4 . 1 1 16 16 THR CA C 16 61.642 61.642 62.511 -0.869 19427 1512 1 4 . 1 1 16 16 THR CB C 16 69.957 69.957 69.485 0.472 19427 1513 1 4 . 1 1 16 16 THR H H 16 7.530 7.530 7.535 -0.005 19427 1514 1 4 . 1 1 17 17 VAL N N 17 126.962 126.962 124.697 2.265 19427 1515 1 4 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.169 -0.184 19427 1516 1 4 . 1 1 17 17 VAL CA C 17 60.535 60.535 58.668 1.867 19427 1517 1 4 . 1 1 17 17 VAL CB C 17 32.388 32.388 32.359 0.028 19427 1518 1 4 . 1 1 17 17 VAL H H 17 7.208 7.208 7.312 -0.104 19427 1519 1 4 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.350 -0.082 19427 1520 1 4 . 1 1 18 18 PRO C C 18 178.094 178.094 177.293 0.801 19427 1521 1 4 . 1 1 18 18 PRO CA C 18 63.848 63.848 62.256 1.592 19427 1522 1 4 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.587 0.124 19427 1523 1 4 . 1 1 19 19 ALA N N 19 128.383 128.383 124.337 4.046 19427 1524 1 4 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.040 -0.096 19427 1525 1 4 . 1 1 19 19 ALA C C 19 180.008 180.008 179.674 0.334 19427 1526 1 4 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.729 0.588 19427 1527 1 4 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.270 0.644 19427 1528 1 4 . 1 1 19 19 ALA H H 19 8.872 8.872 8.511 0.361 19427 1529 1 4 . 1 1 20 20 GLU N N 20 118.522 118.522 118.129 0.393 19427 1530 1 4 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.099 0.015 19427 1531 1 4 . 1 1 20 20 GLU C C 20 177.573 177.573 177.405 0.168 19427 1532 1 4 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.606 1.030 19427 1533 1 4 . 1 1 20 20 GLU CB C 20 28.838 28.838 28.825 0.013 19427 1534 1 4 . 1 1 20 20 GLU H H 20 9.459 9.459 8.860 0.599 19427 1535 1 4 . 1 1 21 21 LYS N N 21 115.147 115.147 117.247 -2.100 19427 1536 1 4 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.448 0.204 19427 1537 1 4 . 1 1 21 21 LYS C C 21 177.045 177.045 177.129 -0.084 19427 1538 1 4 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.958 0.029 19427 1539 1 4 . 1 1 21 21 LYS CB C 21 33.952 33.952 34.803 -0.851 19427 1540 1 4 . 1 1 21 21 LYS H H 21 7.441 7.441 7.659 -0.218 19427 1541 1 4 . 1 1 22 22 ALA N N 22 119.898 119.898 120.347 -0.449 19427 1542 1 4 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.563 -0.419 19427 1543 1 4 . 1 1 22 22 ALA C C 22 177.520 177.520 178.552 -1.032 19427 1544 1 4 . 1 1 22 22 ALA CA C 22 53.181 53.181 51.581 1.600 19427 1545 1 4 . 1 1 22 22 ALA CB C 22 20.231 20.231 19.331 0.900 19427 1546 1 4 . 1 1 22 22 ALA H H 22 8.096 8.096 8.174 -0.078 19427 1547 1 4 . 1 1 23 23 GLY N N 23 107.148 107.148 109.308 -2.160 19427 1548 1 4 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.257 0.755 19427 1549 1 4 . 1 1 23 23 GLY H H 23 8.484 8.484 8.082 0.402 19427 1550 1 4 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.373 -0.199 19427 1551 1 4 . 1 1 24 24 PRO C C 24 179.318 179.318 178.108 1.210 19427 1552 1 4 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.277 0.676 19427 1553 1 4 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.384 -0.013 19427 1554 1 4 . 1 1 25 25 LEU N N 25 118.416 118.416 119.379 -0.963 19427 1555 1 4 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.315 0.041 19427 1556 1 4 . 1 1 25 25 LEU C C 25 177.871 177.871 178.667 -0.796 19427 1557 1 4 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.042 0.893 19427 1558 1 4 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.342 1.008 19427 1559 1 4 . 1 1 25 25 LEU H H 25 7.394 7.394 7.565 -0.171 19427 1560 1 4 . 1 1 26 26 GLN N N 26 119.819 119.819 118.502 1.317 19427 1561 1 4 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.965 -0.071 19427 1562 1 4 . 1 1 26 26 GLN C C 26 179.865 179.865 178.742 1.123 19427 1563 1 4 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.610 0.161 19427 1564 1 4 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.382 -0.828 19427 1565 1 4 . 1 1 26 26 GLN H H 26 8.885 8.885 8.683 0.202 19427 1566 1 4 . 1 1 27 27 ARG N N 27 119.761 119.761 120.209 -0.448 19427 1567 1 4 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.050 0.091 19427 1568 1 4 . 1 1 27 27 ARG C C 27 178.950 178.950 178.798 0.152 19427 1569 1 4 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.720 -0.084 19427 1570 1 4 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.274 0.142 19427 1571 1 4 . 1 1 27 27 ARG H H 27 8.694 8.694 7.893 0.801 19427 1572 1 4 . 1 1 28 28 TYR N N 28 122.540 122.540 121.398 1.142 19427 1573 1 4 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.223 -0.052 19427 1574 1 4 . 1 1 28 28 TYR C C 28 177.843 177.843 177.168 0.675 19427 1575 1 4 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.568 0.710 19427 1576 1 4 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.565 1.148 19427 1577 1 4 . 1 1 28 28 TYR H H 28 8.211 8.211 8.513 -0.302 19427 1578 1 4 . 1 1 29 29 ALA N N 29 120.477 120.477 121.228 -0.751 19427 1579 1 4 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.902 -0.140 19427 1580 1 4 . 1 1 29 29 ALA C C 29 178.739 178.739 179.327 -0.588 19427 1581 1 4 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.259 -0.074 19427 1582 1 4 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.956 -0.027 19427 1583 1 4 . 1 1 29 29 ALA H H 29 9.065 9.065 8.647 0.418 19427 1584 1 4 . 1 1 30 30 ALA N N 30 118.596 118.596 120.908 -2.312 19427 1585 1 4 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.473 -0.186 19427 1586 1 4 . 1 1 30 30 ALA C C 30 180.895 180.895 179.689 1.206 19427 1587 1 4 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.690 0.386 19427 1588 1 4 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.380 -0.294 19427 1589 1 4 . 1 1 30 30 ALA H H 30 7.741 7.741 8.294 -0.553 19427 1590 1 4 . 1 1 31 31 THR N N 31 116.024 116.024 117.427 -1.403 19427 1591 1 4 . 1 1 31 31 THR HA H 31 3.995 3.995 4.026 -0.031 19427 1592 1 4 . 1 1 31 31 THR C C 31 176.687 176.687 176.471 0.216 19427 1593 1 4 . 1 1 31 31 THR CA C 31 66.452 66.452 66.585 -0.133 19427 1594 1 4 . 1 1 31 31 THR CB C 31 68.867 68.867 68.815 0.052 19427 1595 1 4 . 1 1 31 31 THR H H 31 7.914 7.914 8.053 -0.139 19427 1596 1 4 . 1 1 32 32 ILE N N 32 121.094 121.094 121.570 -0.476 19427 1597 1 4 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.604 0.211 19427 1598 1 4 . 1 1 32 32 ILE C C 32 178.583 178.583 177.927 0.656 19427 1599 1 4 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.428 0.725 19427 1600 1 4 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.472 0.468 19427 1601 1 4 . 1 1 32 32 ILE H H 32 7.846 7.846 8.108 -0.262 19427 1602 1 4 . 1 1 33 33 GLN N N 33 119.832 119.832 119.419 0.413 19427 1603 1 4 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.880 -0.041 19427 1604 1 4 . 1 1 33 33 GLN C C 33 178.264 178.264 178.679 -0.415 19427 1605 1 4 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.602 0.256 19427 1606 1 4 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.561 0.804 19427 1607 1 4 . 1 1 33 33 GLN H H 33 8.374 8.374 8.348 0.026 19427 1608 1 4 . 1 1 34 34 SER N N 34 112.726 112.726 114.675 -1.949 19427 1609 1 4 . 1 1 34 34 SER HA H 34 4.333 4.333 4.171 0.162 19427 1610 1 4 . 1 1 34 34 SER C C 34 176.817 176.817 177.065 -0.248 19427 1611 1 4 . 1 1 34 34 SER CA C 34 60.915 60.915 61.582 -0.667 19427 1612 1 4 . 1 1 34 34 SER CB C 34 63.235 63.235 63.067 0.168 19427 1613 1 4 . 1 1 34 34 SER H H 34 7.816 7.816 8.084 -0.268 19427 1614 1 4 . 1 1 35 35 GLN N N 35 120.724 120.724 121.176 -0.452 19427 1615 1 4 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.152 0.042 19427 1616 1 4 . 1 1 35 35 GLN C C 35 177.930 177.930 178.121 -0.191 19427 1617 1 4 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.825 0.284 19427 1618 1 4 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.487 0.701 19427 1619 1 4 . 1 1 35 35 GLN H H 35 8.034 8.034 8.170 -0.136 19427 1620 1 4 . 1 1 36 36 ARG N N 36 116.267 116.267 118.802 -2.535 19427 1621 1 4 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.225 0.173 19427 1622 1 4 . 1 1 36 36 ARG C C 36 177.013 177.013 177.092 -0.079 19427 1623 1 4 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.616 -0.192 19427 1624 1 4 . 1 1 36 36 ARG CB C 36 31.418 31.418 31.213 0.205 19427 1625 1 4 . 1 1 36 36 ARG H H 36 8.091 8.091 8.193 -0.102 19427 1626 1 4 . 1 1 37 37 GLY N N 37 109.299 109.299 106.895 2.404 19427 1627 1 4 . 1 1 37 37 GLY C C 37 173.661 173.661 173.799 -0.138 19427 1628 1 4 . 1 1 37 37 GLY CA C 37 46.270 46.270 44.896 1.374 19427 1629 1 4 . 1 1 37 37 GLY H H 37 7.972 7.972 7.807 0.165 19427 1630 1 4 . 1 1 38 38 ASP N N 38 119.246 119.246 120.088 -0.842 19427 1631 1 4 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.678 0.037 19427 1632 1 4 . 1 1 38 38 ASP C C 38 175.405 175.405 175.101 0.304 19427 1633 1 4 . 1 1 38 38 ASP CA C 38 53.171 53.171 51.691 1.480 19427 1634 1 4 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.937 -1.297 19427 1635 1 4 . 1 1 38 38 ASP H H 38 7.838 7.838 8.253 -0.415 19427 1636 1 4 . 1 1 39 39 TYR N N 39 121.210 121.210 117.386 3.824 19427 1637 1 4 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.724 -0.197 19427 1638 1 4 . 1 1 39 39 TYR C C 39 176.937 176.937 174.148 2.789 19427 1639 1 4 . 1 1 39 39 TYR CA C 39 58.128 58.128 56.224 1.904 19427 1640 1 4 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.567 0.021 19427 1641 1 4 . 1 1 39 39 TYR H H 39 8.202 8.202 7.680 0.522 19427 1642 1 4 . 1 1 40 40 ASN N N 40 120.622 120.622 121.561 -0.939 19427 1643 1 4 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.702 -0.083 19427 1644 1 4 . 1 1 40 40 ASN C C 40 175.853 175.853 175.677 0.176 19427 1645 1 4 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.652 0.731 19427 1646 1 4 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.372 1.134 19427 1647 1 4 . 1 1 40 40 ASN H H 40 8.393 8.393 8.454 -0.061 19427 1648 1 4 . 1 1 41 41 GLY N N 41 107.971 107.971 112.413 -4.442 19427 1649 1 4 . 1 1 41 41 GLY C C 41 173.926 173.926 174.001 -0.075 19427 1650 1 4 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.706 1.224 19427 1651 1 4 . 1 1 41 41 GLY H H 41 8.103 8.103 8.241 -0.138 19427 1652 1 4 . 1 1 42 42 LYS N N 42 119.472 119.472 118.717 0.755 19427 1653 1 4 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.634 -0.145 19427 1654 1 4 . 1 1 42 42 LYS C C 42 176.201 176.201 176.015 0.186 19427 1655 1 4 . 1 1 42 42 LYS CA C 42 57.709 57.709 56.870 0.839 19427 1656 1 4 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.906 0.439 19427 1657 1 4 . 1 1 42 42 LYS H H 42 8.652 8.652 7.971 0.681 19427 1658 1 4 . 1 1 43 43 VAL N N 43 112.852 112.852 114.008 -1.156 19427 1659 1 4 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.115 0.215 19427 1660 1 4 . 1 1 43 43 VAL C C 43 174.906 174.906 174.056 0.850 19427 1661 1 4 . 1 1 43 43 VAL CA C 43 59.264 59.264 60.320 -1.056 19427 1662 1 4 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.948 0.005 19427 1663 1 4 . 1 1 43 43 VAL H H 43 7.840 7.840 8.227 -0.387 19427 1664 1 4 . 1 1 44 44 LEU N N 44 123.642 123.642 121.289 2.353 19427 1665 1 4 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.878 -0.089 19427 1666 1 4 . 1 1 44 44 LEU C C 44 175.260 175.260 174.383 0.877 19427 1667 1 4 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.612 -0.737 19427 1668 1 4 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.588 0.910 19427 1669 1 4 . 1 1 44 44 LEU H H 44 8.610 8.610 9.038 -0.428 19427 1670 1 4 . 1 1 45 45 SER N N 45 124.267 124.267 121.128 3.139 19427 1671 1 4 . 1 1 45 45 SER HA H 45 5.052 5.052 5.772 -0.720 19427 1672 1 4 . 1 1 45 45 SER C C 45 174.246 174.246 174.235 0.011 19427 1673 1 4 . 1 1 45 45 SER CA C 45 58.852 58.852 56.291 2.561 19427 1674 1 4 . 1 1 45 45 SER CB C 45 63.509 63.509 63.758 -0.249 19427 1675 1 4 . 1 1 45 45 SER H H 45 9.111 9.111 8.384 0.727 19427 1676 1 4 . 1 1 46 46 ILE N N 46 118.924 118.924 123.388 -4.464 19427 1677 1 4 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.617 0.163 19427 1678 1 4 . 1 1 46 46 ILE C C 46 174.199 174.199 174.120 0.079 19427 1679 1 4 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.984 0.618 19427 1680 1 4 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.210 1.385 19427 1681 1 4 . 1 1 46 46 ILE H H 46 8.542 8.542 8.735 -0.193 19427 1682 1 4 . 1 1 47 47 ARG N N 47 119.572 119.572 119.710 -0.138 19427 1683 1 4 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.792 0.073 19427 1684 1 4 . 1 1 47 47 ARG C C 47 178.511 178.511 178.101 0.410 19427 1685 1 4 . 1 1 47 47 ARG CA C 47 54.508 54.508 53.718 0.790 19427 1686 1 4 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.198 2.119 19427 1687 1 4 . 1 1 47 47 ARG H H 47 9.488 9.488 9.098 0.390 19427 1688 1 4 . 1 1 48 48 GLN N N 48 122.809 122.809 120.349 2.460 19427 1689 1 4 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.108 -0.290 19427 1690 1 4 . 1 1 48 48 GLN C C 48 178.972 178.972 177.993 0.979 19427 1691 1 4 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.290 1.237 19427 1692 1 4 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.229 0.055 19427 1693 1 4 . 1 1 48 48 GLN H H 48 9.350 9.350 8.802 0.548 19427 1694 1 4 . 1 1 49 49 ASP N N 49 115.682 115.682 120.101 -4.419 19427 1695 1 4 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.432 -0.072 19427 1696 1 4 . 1 1 49 49 ASP C C 49 178.758 178.758 178.245 0.513 19427 1697 1 4 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.655 -0.298 19427 1698 1 4 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.139 0.344 19427 1699 1 4 . 1 1 49 49 ASP H H 49 8.855 8.855 8.760 0.095 19427 1700 1 4 . 1 1 50 50 ASP N N 50 117.926 117.926 120.747 -2.821 19427 1701 1 4 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.424 0.188 19427 1702 1 4 . 1 1 50 50 ASP C C 50 177.865 177.865 178.267 -0.402 19427 1703 1 4 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.468 0.607 19427 1704 1 4 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.496 1.143 19427 1705 1 4 . 1 1 50 50 ASP H H 50 7.519 7.519 8.259 -0.740 19427 1706 1 4 . 1 1 51 51 LEU N N 51 118.893 118.893 121.312 -2.419 19427 1707 1 4 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.934 -0.022 19427 1708 1 4 . 1 1 51 51 LEU C C 51 178.254 178.254 178.257 -0.003 19427 1709 1 4 . 1 1 51 51 LEU CA C 51 58.129 58.129 58.177 -0.048 19427 1710 1 4 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.848 -0.451 19427 1711 1 4 . 1 1 51 51 LEU H H 51 7.444 7.444 7.919 -0.475 19427 1712 1 4 . 1 1 52 52 ARG N N 52 117.366 117.366 115.918 1.448 19427 1713 1 4 . 1 1 52 52 ARG HA H 52 3.910 3.910 4.098 -0.188 19427 1714 1 4 . 1 1 52 52 ARG C C 52 178.886 178.886 178.444 0.442 19427 1715 1 4 . 1 1 52 52 ARG CA C 52 60.285 60.285 58.382 1.903 19427 1716 1 4 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.358 0.460 19427 1717 1 4 . 1 1 52 52 ARG H H 52 7.757 7.757 8.060 -0.303 19427 1718 1 4 . 1 1 53 53 THR N N 53 118.266 118.266 116.695 1.571 19427 1719 1 4 . 1 1 53 53 THR HA H 53 3.924 3.924 4.205 -0.281 19427 1720 1 4 . 1 1 53 53 THR C C 53 176.626 176.626 176.086 0.540 19427 1721 1 4 . 1 1 53 53 THR CA C 53 67.001 67.001 65.230 1.772 19427 1722 1 4 . 1 1 53 53 THR CB C 53 68.759 68.759 69.269 -0.510 19427 1723 1 4 . 1 1 53 53 THR H H 53 7.973 7.973 7.581 0.392 19427 1724 1 4 . 1 1 54 54 LEU N N 54 122.030 122.030 122.176 -0.146 19427 1725 1 4 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.299 0.510 19427 1726 1 4 . 1 1 54 54 LEU C C 54 177.755 177.755 178.173 -0.418 19427 1727 1 4 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.934 -0.111 19427 1728 1 4 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.849 2.240 19427 1729 1 4 . 1 1 54 54 LEU H H 54 8.355 8.355 8.467 -0.112 19427 1730 1 4 . 1 1 55 55 ALA N N 55 122.634 122.634 120.287 2.347 19427 1731 1 4 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.876 0.016 19427 1732 1 4 . 1 1 55 55 ALA C C 55 179.192 179.192 179.228 -0.036 19427 1733 1 4 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.185 1.320 19427 1734 1 4 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.990 -0.826 19427 1735 1 4 . 1 1 55 55 ALA H H 55 8.195 8.195 7.844 0.351 19427 1736 1 4 . 1 1 56 56 VAL N N 56 118.079 118.079 118.244 -0.165 19427 1737 1 4 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.630 0.231 19427 1738 1 4 . 1 1 56 56 VAL C C 56 180.389 180.389 178.854 1.535 19427 1739 1 4 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.806 0.781 19427 1740 1 4 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.762 -0.069 19427 1741 1 4 . 1 1 56 56 VAL H H 56 7.402 7.402 7.355 0.047 19427 1742 1 4 . 1 1 57 57 ILE N N 57 122.536 122.536 120.915 1.621 19427 1743 1 4 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.592 0.012 19427 1744 1 4 . 1 1 57 57 ILE C C 57 177.942 177.942 177.151 0.791 19427 1745 1 4 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.715 1.128 19427 1746 1 4 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.675 0.711 19427 1747 1 4 . 1 1 57 57 ILE H H 57 7.893 7.893 7.411 0.482 19427 1748 1 4 . 1 1 58 58 TYR N N 58 117.060 117.060 114.901 2.159 19427 1749 1 4 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.553 -0.422 19427 1750 1 4 . 1 1 58 58 TYR C C 58 174.728 174.728 175.369 -0.641 19427 1751 1 4 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.853 4.911 19427 1752 1 4 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.529 1.498 19427 1753 1 4 . 1 1 58 58 TYR H H 58 8.319 8.319 7.458 0.861 19427 1754 1 4 . 1 1 59 59 ASP N N 59 122.545 122.545 117.798 4.747 19427 1755 1 4 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.387 -0.037 19427 1756 1 4 . 1 1 59 59 ASP C C 59 174.853 174.853 175.327 -0.474 19427 1757 1 4 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.645 -0.532 19427 1758 1 4 . 1 1 59 59 ASP CB C 59 39.812 39.812 40.404 -0.592 19427 1759 1 4 . 1 1 59 59 ASP H H 59 8.177 8.177 7.884 0.293 19427 1760 1 4 . 1 1 60 60 GLN N N 60 116.007 116.007 117.746 -1.739 19427 1761 1 4 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.676 0.054 19427 1762 1 4 . 1 1 60 60 GLN C C 60 174.853 174.853 175.326 -0.473 19427 1763 1 4 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.147 -0.634 19427 1764 1 4 . 1 1 60 60 GLN CB C 60 34.384 34.384 31.743 2.641 19427 1765 1 4 . 1 1 60 60 GLN H H 60 8.424 8.424 8.335 0.089 19427 1766 1 4 . 1 1 61 61 SER N N 61 116.009 116.009 116.996 -0.987 19427 1767 1 4 . 1 1 61 61 SER HA H 61 4.783 4.783 4.786 -0.003 19427 1768 1 4 . 1 1 61 61 SER CA C 61 56.443 56.443 55.611 0.832 19427 1769 1 4 . 1 1 61 61 SER CB C 61 62.811 62.811 62.833 -0.022 19427 1770 1 4 . 1 1 61 61 SER H H 61 8.424 8.424 8.492 -0.068 19427 1771 1 4 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.102 -0.066 19427 1772 1 4 . 1 1 62 62 PRO C C 62 179.161 179.161 178.619 0.542 19427 1773 1 4 . 1 1 62 62 PRO CA C 62 66.496 66.496 66.127 0.369 19427 1774 1 4 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.773 0.007 19427 1775 1 4 . 1 1 63 63 SER N N 63 114.103 114.103 113.001 1.102 19427 1776 1 4 . 1 1 63 63 SER HA H 63 4.838 4.838 4.227 0.611 19427 1777 1 4 . 1 1 63 63 SER C C 63 176.141 176.141 176.560 -0.419 19427 1778 1 4 . 1 1 63 63 SER CB C 63 62.293 62.293 62.103 0.190 19427 1779 1 4 . 1 1 63 63 SER H H 63 8.596 8.596 8.491 0.105 19427 1780 1 4 . 1 1 64 64 VAL N N 64 125.461 125.461 119.988 5.473 19427 1781 1 4 . 1 1 64 64 VAL HA H 64 3.561 3.561 4.038 -0.477 19427 1782 1 4 . 1 1 64 64 VAL C C 64 178.754 178.754 177.534 1.220 19427 1783 1 4 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.029 1.403 19427 1784 1 4 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.195 0.822 19427 1785 1 4 . 1 1 64 64 VAL H H 64 7.381 7.381 7.348 0.033 19427 1786 1 4 . 1 1 65 65 LEU N N 65 121.843 121.843 122.106 -0.263 19427 1787 1 4 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.074 -0.175 19427 1788 1 4 . 1 1 65 65 LEU C C 65 178.836 178.836 178.526 0.310 19427 1789 1 4 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.595 -1.283 19427 1790 1 4 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.663 0.591 19427 1791 1 4 . 1 1 65 65 LEU H H 65 8.437 8.437 8.383 0.054 19427 1792 1 4 . 1 1 66 66 THR N N 66 115.794 115.794 115.907 -0.113 19427 1793 1 4 . 1 1 66 66 THR HA H 66 3.321 3.321 3.851 -0.530 19427 1794 1 4 . 1 1 66 66 THR C C 66 175.591 175.591 176.687 -1.096 19427 1795 1 4 . 1 1 66 66 THR CA C 66 69.056 69.056 67.393 1.663 19427 1796 1 4 . 1 1 66 66 THR CB C 66 67.992 67.992 68.444 -0.452 19427 1797 1 4 . 1 1 66 66 THR H H 66 8.079 8.079 8.163 -0.084 19427 1798 1 4 . 1 1 67 67 GLU N N 67 118.543 118.543 121.150 -2.607 19427 1799 1 4 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.831 0.010 19427 1800 1 4 . 1 1 67 67 GLU C C 67 179.342 179.342 178.830 0.512 19427 1801 1 4 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.483 -0.258 19427 1802 1 4 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.268 -0.347 19427 1803 1 4 . 1 1 67 67 GLU H H 67 7.594 7.594 8.121 -0.527 19427 1804 1 4 . 1 1 68 68 GLN N N 68 120.882 120.882 118.938 1.944 19427 1805 1 4 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.615 0.085 19427 1806 1 4 . 1 1 68 68 GLN C C 68 177.403 177.403 178.269 -0.866 19427 1807 1 4 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.057 0.337 19427 1808 1 4 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.934 0.440 19427 1809 1 4 . 1 1 68 68 GLN H H 68 7.847 7.847 8.044 -0.197 19427 1810 1 4 . 1 1 69 69 LEU N N 69 118.421 118.421 119.609 -1.188 19427 1811 1 4 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.611 -0.138 19427 1812 1 4 . 1 1 69 69 LEU C C 69 180.177 180.177 179.334 0.843 19427 1813 1 4 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.437 0.976 19427 1814 1 4 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.929 0.042 19427 1815 1 4 . 1 1 69 69 LEU H H 69 7.986 7.986 7.336 0.650 19427 1816 1 4 . 1 1 70 70 ILE N N 70 121.346 121.346 119.372 1.974 19427 1817 1 4 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.031 0.129 19427 1818 1 4 . 1 1 70 70 ILE C C 70 180.910 180.910 179.114 1.796 19427 1819 1 4 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.603 0.448 19427 1820 1 4 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.939 0.406 19427 1821 1 4 . 1 1 70 70 ILE H H 70 8.262 8.262 7.690 0.572 19427 1822 1 4 . 1 1 71 71 SER N N 71 120.236 120.236 117.592 2.644 19427 1823 1 4 . 1 1 71 71 SER HA H 71 4.273 4.273 4.236 0.037 19427 1824 1 4 . 1 1 71 71 SER C C 71 177.045 177.045 176.069 0.976 19427 1825 1 4 . 1 1 71 71 SER CA C 71 62.544 62.544 60.772 1.772 19427 1826 1 4 . 1 1 71 71 SER CB C 71 62.839 62.839 62.542 0.297 19427 1827 1 4 . 1 1 71 71 SER H H 71 8.388 8.388 8.304 0.084 19427 1828 1 4 . 1 1 72 72 TRP N N 72 119.364 119.364 120.229 -0.865 19427 1829 1 4 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.811 0.115 19427 1830 1 4 . 1 1 72 72 TRP C C 72 176.839 176.839 176.832 0.007 19427 1831 1 4 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.760 0.004 19427 1832 1 4 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.354 1.910 19427 1833 1 4 . 1 1 72 72 TRP H H 72 8.066 8.066 7.588 0.478 19427 1834 1 4 . 1 1 73 73 GLY N N 73 106.514 106.514 106.266 0.248 19427 1835 1 4 . 1 1 73 73 GLY C C 73 174.697 174.697 175.107 -0.410 19427 1836 1 4 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.463 -1.060 19427 1837 1 4 . 1 1 73 73 GLY H H 73 8.242 8.242 7.694 0.548 19427 1838 1 4 . 1 1 74 74 VAL N N 74 114.793 114.793 117.967 -3.174 19427 1839 1 4 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.115 0.082 19427 1840 1 4 . 1 1 74 74 VAL C C 74 174.015 174.015 175.227 -1.212 19427 1841 1 4 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.281 -1.169 19427 1842 1 4 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.849 -0.000 19427 1843 1 4 . 1 1 74 74 VAL H H 74 7.834 7.834 8.052 -0.218 19427 1844 1 4 . 1 1 75 75 LEU N N 75 118.357 118.357 119.412 -1.055 19427 1845 1 4 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.008 -0.097 19427 1846 1 4 . 1 1 75 75 LEU C C 75 175.022 175.022 175.366 -0.344 19427 1847 1 4 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.640 -0.008 19427 1848 1 4 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.470 1.688 19427 1849 1 4 . 1 1 75 75 LEU H H 75 6.898 6.898 7.648 -0.750 19427 1850 1 4 . 1 1 76 76 ASP N N 76 122.400 122.400 124.318 -1.918 19427 1851 1 4 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.565 0.038 19427 1852 1 4 . 1 1 76 76 ASP C C 76 176.384 176.384 176.620 -0.236 19427 1853 1 4 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.843 -0.460 19427 1854 1 4 . 1 1 76 76 ASP CB C 76 43.227 43.227 42.974 0.253 19427 1855 1 4 . 1 1 76 76 ASP H H 76 8.412 8.412 8.850 -0.438 19427 1856 1 4 . 1 1 77 77 ALA N N 77 123.828 123.828 128.968 -5.140 19427 1857 1 4 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.072 -0.018 19427 1858 1 4 . 1 1 77 77 ALA C C 77 179.068 179.068 179.150 -0.082 19427 1859 1 4 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.585 0.146 19427 1860 1 4 . 1 1 77 77 ALA CB C 77 18.749 18.749 19.029 -0.280 19427 1861 1 4 . 1 1 77 77 ALA H H 77 8.601 8.601 8.719 -0.118 19427 1862 1 4 . 1 1 78 78 ASP N N 78 118.882 118.882 118.702 0.180 19427 1863 1 4 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.423 0.090 19427 1864 1 4 . 1 1 78 78 ASP C C 78 174.868 174.868 178.032 -3.164 19427 1865 1 4 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.215 0.063 19427 1866 1 4 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.848 0.060 19427 1867 1 4 . 1 1 78 78 ASP H H 78 8.791 8.791 8.673 0.118 19427 1868 1 4 . 1 1 79 79 ALA N N 79 121.027 121.027 123.573 -2.546 19427 1869 1 4 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.908 0.093 19427 1870 1 4 . 1 1 79 79 ALA C C 79 178.803 178.803 178.863 -0.060 19427 1871 1 4 . 1 1 79 79 ALA CA C 79 54.391 54.391 55.295 -0.904 19427 1872 1 4 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.486 1.434 19427 1873 1 4 . 1 1 79 79 ALA H H 79 8.287 8.287 7.546 0.741 19427 1874 1 4 . 1 1 80 80 ARG N N 80 115.805 115.805 117.368 -1.563 19427 1875 1 4 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.058 -0.134 19427 1876 1 4 . 1 1 80 80 ARG C C 80 178.254 178.254 178.409 -0.155 19427 1877 1 4 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.009 1.220 19427 1878 1 4 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.151 1.106 19427 1879 1 4 . 1 1 80 80 ARG H H 80 7.689 7.689 7.689 -0.000 19427 1880 1 4 . 1 1 81 81 ARG N N 81 117.554 117.554 120.798 -3.244 19427 1881 1 4 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.129 0.077 19427 1882 1 4 . 1 1 81 81 ARG C C 81 177.214 177.214 178.032 -0.818 19427 1883 1 4 . 1 1 81 81 ARG CA C 81 57.693 57.693 59.088 -1.395 19427 1884 1 4 . 1 1 81 81 ARG CB C 81 30.242 30.242 30.225 0.017 19427 1885 1 4 . 1 1 81 81 ARG H H 81 7.782 7.782 8.010 -0.228 19427 1886 1 4 . 1 1 82 82 ALA N N 82 121.590 121.590 122.277 -0.687 19427 1887 1 4 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.229 0.050 19427 1888 1 4 . 1 1 82 82 ALA C C 82 177.798 177.798 180.312 -2.514 19427 1889 1 4 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.752 -1.497 19427 1890 1 4 . 1 1 82 82 ALA CB C 82 19.563 19.563 18.360 1.202 19427 1891 1 4 . 1 1 82 82 ALA H H 82 7.875 7.875 7.625 0.250 19427 1892 1 4 . 1 1 83 83 VAL N N 83 114.483 114.483 117.595 -3.112 19427 1893 1 4 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.845 0.296 19427 1894 1 4 . 1 1 83 83 VAL C C 83 175.572 175.572 176.490 -0.918 19427 1895 1 4 . 1 1 83 83 VAL CA C 83 62.041 62.041 64.295 -2.254 19427 1896 1 4 . 1 1 83 83 VAL CB C 83 32.781 32.781 31.518 1.263 19427 1897 1 4 . 1 1 83 83 VAL H H 83 7.503 7.503 7.796 -0.293 19427 1898 1 4 . 1 1 84 84 ALA N N 84 125.870 125.870 121.008 4.862 19427 1899 1 4 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.245 0.075 19427 1900 1 4 . 1 1 84 84 ALA C C 84 177.696 177.696 177.776 -0.080 19427 1901 1 4 . 1 1 84 84 ALA CA C 84 52.771 52.771 53.420 -0.649 19427 1902 1 4 . 1 1 84 84 ALA CB C 84 19.512 19.512 19.221 0.291 19427 1903 1 4 . 1 1 84 84 ALA H H 84 7.876 7.876 7.221 0.655 19427 1904 1 4 . 1 1 85 85 SER N N 85 114.965 114.965 115.110 -0.145 19427 1905 1 4 . 1 1 85 85 SER HA H 85 4.396 4.396 4.393 0.003 19427 1906 1 4 . 1 1 85 85 SER CA C 85 58.393 58.393 58.678 -0.285 19427 1907 1 4 . 1 1 85 85 SER CB C 85 63.915 63.915 62.447 1.468 19427 1908 1 4 . 1 1 85 85 SER H H 85 8.521 8.521 7.855 0.666 19427 1909 1 4 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.190 0.476 19427 1910 1 4 . 1 1 86 86 HIS C C 86 174.868 174.868 173.103 1.765 19427 1911 1 4 . 1 1 86 86 HIS CA C 86 56.321 56.321 57.882 -1.561 19427 1912 1 4 . 1 1 86 86 HIS CB C 86 30.312 30.312 28.900 1.412 19427 1913 1 4 . 1 1 87 87 ASP N N 87 121.205 121.205 119.804 1.401 19427 1914 1 4 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.805 -0.202 19427 1915 1 4 . 1 1 87 87 ASP C C 87 175.917 175.917 176.623 -0.706 19427 1916 1 4 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.795 -0.218 19427 1917 1 4 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.885 -1.629 19427 1918 1 4 . 1 1 87 87 ASP H H 87 8.326 8.326 8.767 -0.441 19427 1919 1 4 . 1 1 88 88 GLU N N 88 121.167 121.167 119.310 1.857 19427 1920 1 4 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.505 -0.188 19427 1921 1 4 . 1 1 88 88 GLU C C 88 175.455 175.455 176.154 -0.699 19427 1922 1 4 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.837 -0.465 19427 1923 1 4 . 1 1 88 88 GLU CB C 88 30.373 30.373 31.380 -1.007 19427 1924 1 4 . 1 1 88 88 GLU H H 88 8.352 8.352 8.632 -0.280 19427 1925 1 5 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.309 0.092 19427 1926 1 5 . 1 1 5 5 PRO C C 5 176.334 176.334 175.738 0.596 19427 1927 1 5 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.694 -0.911 19427 1928 1 5 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.279 1.075 19427 1929 1 5 . 1 1 6 6 LYS N N 6 121.980 121.980 123.413 -1.433 19427 1930 1 5 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.505 -0.131 19427 1931 1 5 . 1 1 6 6 LYS C C 6 175.715 175.715 176.045 -0.330 19427 1932 1 5 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.183 0.989 19427 1933 1 5 . 1 1 6 6 LYS CB C 6 33.270 33.270 34.460 -1.190 19427 1934 1 5 . 1 1 6 6 LYS H H 6 8.546 8.546 8.026 0.520 19427 1935 1 5 . 1 1 7 7 LEU N N 7 125.018 125.018 126.687 -1.669 19427 1936 1 5 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.402 0.121 19427 1937 1 5 . 1 1 7 7 LEU C C 7 174.994 174.994 174.906 0.088 19427 1938 1 5 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.603 -0.553 19427 1939 1 5 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.648 1.523 19427 1940 1 5 . 1 1 7 7 LEU H H 7 8.620 8.620 8.883 -0.263 19427 1941 1 5 . 1 1 8 8 VAL N N 8 121.522 121.522 124.391 -2.869 19427 1942 1 5 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.831 -0.284 19427 1943 1 5 . 1 1 8 8 VAL C C 8 175.042 175.042 175.257 -0.215 19427 1944 1 5 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.510 0.696 19427 1945 1 5 . 1 1 8 8 VAL CB C 8 34.596 34.596 33.197 1.399 19427 1946 1 5 . 1 1 8 8 VAL H H 8 8.084 8.084 8.142 -0.058 19427 1947 1 5 . 1 1 9 9 LEU N N 9 126.312 126.312 127.269 -0.957 19427 1948 1 5 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.069 -0.129 19427 1949 1 5 . 1 1 9 9 LEU C C 9 175.831 175.831 175.822 0.009 19427 1950 1 5 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.153 0.393 19427 1951 1 5 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.129 0.104 19427 1952 1 5 . 1 1 9 9 LEU H H 9 9.137 9.137 9.128 0.009 19427 1953 1 5 . 1 1 10 10 ASP N N 10 123.236 123.236 123.137 0.099 19427 1954 1 5 . 1 1 10 10 ASP HA H 10 4.848 4.848 5.148 -0.300 19427 1955 1 5 . 1 1 10 10 ASP C C 10 176.685 176.685 177.239 -0.554 19427 1956 1 5 . 1 1 10 10 ASP CA C 10 53.593 53.593 53.394 0.199 19427 1957 1 5 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.842 -1.022 19427 1958 1 5 . 1 1 10 10 ASP H H 10 9.002 9.002 8.553 0.449 19427 1959 1 5 . 1 1 11 11 LEU N N 11 124.059 124.059 126.198 -2.139 19427 1960 1 5 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.106 -0.040 19427 1961 1 5 . 1 1 11 11 LEU C C 11 180.169 180.169 178.590 1.579 19427 1962 1 5 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.246 -0.233 19427 1963 1 5 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.075 -1.226 19427 1964 1 5 . 1 1 11 11 LEU H H 11 8.273 8.273 9.005 -0.732 19427 1965 1 5 . 1 1 12 12 GLU N N 12 121.967 121.967 119.381 2.586 19427 1966 1 5 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.048 0.126 19427 1967 1 5 . 1 1 12 12 GLU C C 12 179.719 179.719 178.903 0.816 19427 1968 1 5 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.253 0.375 19427 1969 1 5 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.527 0.032 19427 1970 1 5 . 1 1 12 12 GLU H H 12 8.273 8.273 8.016 0.257 19427 1971 1 5 . 1 1 13 13 ARG N N 13 119.595 119.595 120.044 -0.449 19427 1972 1 5 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.127 0.045 19427 1973 1 5 . 1 1 13 13 ARG C C 13 179.909 179.909 178.683 1.226 19427 1974 1 5 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.002 -0.691 19427 1975 1 5 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.927 -0.372 19427 1976 1 5 . 1 1 13 13 ARG H H 13 8.081 8.081 8.951 -0.870 19427 1977 1 5 . 1 1 14 14 LEU N N 14 120.325 120.325 119.086 1.239 19427 1978 1 5 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.065 -0.118 19427 1979 1 5 . 1 1 14 14 LEU C C 14 177.166 177.166 176.921 0.245 19427 1980 1 5 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.135 0.439 19427 1981 1 5 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.814 -0.016 19427 1982 1 5 . 1 1 14 14 LEU H H 14 8.205 8.205 7.734 0.471 19427 1983 1 5 . 1 1 15 15 ALA N N 15 117.835 117.835 117.545 0.290 19427 1984 1 5 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.170 -0.045 19427 1985 1 5 . 1 1 15 15 ALA C C 15 178.500 178.500 178.030 0.470 19427 1986 1 5 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.788 0.532 19427 1987 1 5 . 1 1 15 15 ALA CB C 15 18.712 18.712 19.014 -0.302 19427 1988 1 5 . 1 1 15 15 ALA H H 15 7.265 7.265 7.460 -0.195 19427 1989 1 5 . 1 1 16 16 THR N N 16 105.967 105.967 113.084 -7.117 19427 1990 1 5 . 1 1 16 16 THR HA H 16 4.378 4.378 4.197 0.181 19427 1991 1 5 . 1 1 16 16 THR C C 16 174.639 174.639 174.944 -0.305 19427 1992 1 5 . 1 1 16 16 THR CA C 16 61.642 61.642 64.158 -2.516 19427 1993 1 5 . 1 1 16 16 THR CB C 16 69.957 69.957 69.391 0.566 19427 1994 1 5 . 1 1 16 16 THR H H 16 7.530 7.530 7.396 0.134 19427 1995 1 5 . 1 1 17 17 VAL N N 17 126.962 126.962 123.178 3.784 19427 1996 1 5 . 1 1 17 17 VAL HA H 17 3.985 3.985 3.741 0.244 19427 1997 1 5 . 1 1 17 17 VAL CA C 17 60.535 60.535 61.454 -0.919 19427 1998 1 5 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.099 1.290 19427 1999 1 5 . 1 1 17 17 VAL H H 17 7.208 7.208 7.179 0.029 19427 2000 1 5 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.201 0.067 19427 2001 1 5 . 1 1 18 18 PRO C C 18 178.094 178.094 177.650 0.444 19427 2002 1 5 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.631 0.217 19427 2003 1 5 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.031 0.680 19427 2004 1 5 . 1 1 19 19 ALA N N 19 128.383 128.383 127.265 1.118 19427 2005 1 5 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.853 0.091 19427 2006 1 5 . 1 1 19 19 ALA C C 19 180.008 180.008 179.448 0.560 19427 2007 1 5 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.603 0.714 19427 2008 1 5 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.743 0.171 19427 2009 1 5 . 1 1 19 19 ALA H H 19 8.872 8.872 8.605 0.267 19427 2010 1 5 . 1 1 20 20 GLU N N 20 118.522 118.522 117.498 1.024 19427 2011 1 5 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.125 -0.011 19427 2012 1 5 . 1 1 20 20 GLU C C 20 177.573 177.573 177.856 -0.283 19427 2013 1 5 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.233 1.403 19427 2014 1 5 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.408 -0.570 19427 2015 1 5 . 1 1 20 20 GLU H H 20 9.459 9.459 8.568 0.891 19427 2016 1 5 . 1 1 21 21 LYS N N 21 115.147 115.147 117.965 -2.818 19427 2017 1 5 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.188 0.464 19427 2018 1 5 . 1 1 21 21 LYS C C 21 177.045 177.045 177.565 -0.520 19427 2019 1 5 . 1 1 21 21 LYS CA C 21 56.987 56.987 58.063 -1.076 19427 2020 1 5 . 1 1 21 21 LYS CB C 21 33.952 33.952 32.996 0.956 19427 2021 1 5 . 1 1 21 21 LYS H H 21 7.441 7.441 7.663 -0.222 19427 2022 1 5 . 1 1 22 22 ALA N N 22 119.898 119.898 119.243 0.655 19427 2023 1 5 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.539 -0.395 19427 2024 1 5 . 1 1 22 22 ALA C C 22 177.520 177.520 178.813 -1.293 19427 2025 1 5 . 1 1 22 22 ALA CA C 22 53.181 53.181 51.948 1.233 19427 2026 1 5 . 1 1 22 22 ALA CB C 22 20.231 20.231 19.156 1.075 19427 2027 1 5 . 1 1 22 22 ALA H H 22 8.096 8.096 7.906 0.190 19427 2028 1 5 . 1 1 23 23 GLY N N 23 107.148 107.148 109.175 -2.027 19427 2029 1 5 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.891 1.121 19427 2030 1 5 . 1 1 23 23 GLY H H 23 8.484 8.484 7.837 0.647 19427 2031 1 5 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.337 -0.163 19427 2032 1 5 . 1 1 24 24 PRO C C 24 179.318 179.318 178.057 1.261 19427 2033 1 5 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.286 0.667 19427 2034 1 5 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.432 -0.061 19427 2035 1 5 . 1 1 25 25 LEU N N 25 118.416 118.416 118.848 -0.432 19427 2036 1 5 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.649 -0.293 19427 2037 1 5 . 1 1 25 25 LEU C C 25 177.871 177.871 178.576 -0.705 19427 2038 1 5 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.719 1.216 19427 2039 1 5 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.626 0.724 19427 2040 1 5 . 1 1 25 25 LEU H H 25 7.394 7.394 7.602 -0.208 19427 2041 1 5 . 1 1 26 26 GLN N N 26 119.819 119.819 118.010 1.809 19427 2042 1 5 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.054 -0.160 19427 2043 1 5 . 1 1 26 26 GLN C C 26 179.865 179.865 178.921 0.944 19427 2044 1 5 . 1 1 26 26 GLN CA C 26 59.771 59.771 58.700 1.071 19427 2045 1 5 . 1 1 26 26 GLN CB C 26 27.554 27.554 27.996 -0.442 19427 2046 1 5 . 1 1 26 26 GLN H H 26 8.885 8.885 8.488 0.397 19427 2047 1 5 . 1 1 27 27 ARG N N 27 119.761 119.761 120.386 -0.625 19427 2048 1 5 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.103 0.038 19427 2049 1 5 . 1 1 27 27 ARG C C 27 178.950 178.950 178.439 0.511 19427 2050 1 5 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.472 0.164 19427 2051 1 5 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.146 0.270 19427 2052 1 5 . 1 1 27 27 ARG H H 27 8.694 8.694 7.570 1.124 19427 2053 1 5 . 1 1 28 28 TYR N N 28 122.540 122.540 121.112 1.428 19427 2054 1 5 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.174 -0.003 19427 2055 1 5 . 1 1 28 28 TYR C C 28 177.843 177.843 177.196 0.647 19427 2056 1 5 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.266 1.012 19427 2057 1 5 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.542 1.171 19427 2058 1 5 . 1 1 28 28 TYR H H 28 8.211 8.211 7.689 0.522 19427 2059 1 5 . 1 1 29 29 ALA N N 29 120.477 120.477 121.138 -0.661 19427 2060 1 5 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.829 -0.067 19427 2061 1 5 . 1 1 29 29 ALA C C 29 178.739 178.739 179.105 -0.366 19427 2062 1 5 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.376 -0.191 19427 2063 1 5 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.830 0.099 19427 2064 1 5 . 1 1 29 29 ALA H H 29 9.065 9.065 8.746 0.319 19427 2065 1 5 . 1 1 30 30 ALA N N 30 118.596 118.596 120.433 -1.837 19427 2066 1 5 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.847 0.440 19427 2067 1 5 . 1 1 30 30 ALA C C 30 180.895 180.895 179.395 1.500 19427 2068 1 5 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.158 -0.082 19427 2069 1 5 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.105 -0.019 19427 2070 1 5 . 1 1 30 30 ALA H H 30 7.741 7.741 7.776 -0.035 19427 2071 1 5 . 1 1 31 31 THR N N 31 116.024 116.024 115.782 0.242 19427 2072 1 5 . 1 1 31 31 THR HA H 31 3.995 3.995 4.019 -0.024 19427 2073 1 5 . 1 1 31 31 THR C C 31 176.687 176.687 176.452 0.235 19427 2074 1 5 . 1 1 31 31 THR CA C 31 66.452 66.452 66.788 -0.336 19427 2075 1 5 . 1 1 31 31 THR CB C 31 68.867 68.867 68.493 0.374 19427 2076 1 5 . 1 1 31 31 THR H H 31 7.914 7.914 7.431 0.483 19427 2077 1 5 . 1 1 32 32 ILE N N 32 121.094 121.094 121.377 -0.283 19427 2078 1 5 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.561 0.254 19427 2079 1 5 . 1 1 32 32 ILE C C 32 178.583 178.583 177.774 0.809 19427 2080 1 5 . 1 1 32 32 ILE CA C 32 64.153 64.153 62.474 1.679 19427 2081 1 5 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.096 0.844 19427 2082 1 5 . 1 1 32 32 ILE H H 32 7.846 7.846 8.140 -0.294 19427 2083 1 5 . 1 1 33 33 GLN N N 33 119.832 119.832 119.880 -0.048 19427 2084 1 5 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.752 0.087 19427 2085 1 5 . 1 1 33 33 GLN C C 33 178.264 178.264 178.540 -0.276 19427 2086 1 5 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.509 0.349 19427 2087 1 5 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.111 1.254 19427 2088 1 5 . 1 1 33 33 GLN H H 33 8.374 8.374 8.743 -0.369 19427 2089 1 5 . 1 1 34 34 SER N N 34 112.726 112.726 115.218 -2.492 19427 2090 1 5 . 1 1 34 34 SER HA H 34 4.333 4.333 3.841 0.492 19427 2091 1 5 . 1 1 34 34 SER C C 34 176.817 176.817 176.578 0.239 19427 2092 1 5 . 1 1 34 34 SER CA C 34 60.915 60.915 61.966 -1.051 19427 2093 1 5 . 1 1 34 34 SER CB C 34 63.235 63.235 62.847 0.388 19427 2094 1 5 . 1 1 34 34 SER H H 34 7.816 7.816 7.643 0.173 19427 2095 1 5 . 1 1 35 35 GLN N N 35 120.724 120.724 120.075 0.649 19427 2096 1 5 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.089 0.105 19427 2097 1 5 . 1 1 35 35 GLN C C 35 177.930 177.930 177.964 -0.034 19427 2098 1 5 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.126 -0.017 19427 2099 1 5 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.894 0.294 19427 2100 1 5 . 1 1 35 35 GLN H H 35 8.034 8.034 7.438 0.596 19427 2101 1 5 . 1 1 36 36 ARG N N 36 116.267 116.267 116.808 -0.541 19427 2102 1 5 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.444 -0.046 19427 2103 1 5 . 1 1 36 36 ARG C C 36 177.013 177.013 176.399 0.614 19427 2104 1 5 . 1 1 36 36 ARG CA C 36 56.424 56.424 54.788 1.636 19427 2105 1 5 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.102 1.315 19427 2106 1 5 . 1 1 36 36 ARG H H 36 8.091 8.091 7.687 0.404 19427 2107 1 5 . 1 1 37 37 GLY N N 37 109.299 109.299 108.539 0.760 19427 2108 1 5 . 1 1 37 37 GLY C C 37 173.661 173.661 173.978 -0.317 19427 2109 1 5 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.425 0.845 19427 2110 1 5 . 1 1 37 37 GLY H H 37 7.972 7.972 7.570 0.402 19427 2111 1 5 . 1 1 38 38 ASP N N 38 119.246 119.246 120.031 -0.785 19427 2112 1 5 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.788 -0.073 19427 2113 1 5 . 1 1 38 38 ASP C C 38 175.405 175.405 174.681 0.724 19427 2114 1 5 . 1 1 38 38 ASP CA C 38 53.171 53.171 52.675 0.496 19427 2115 1 5 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.608 -0.968 19427 2116 1 5 . 1 1 38 38 ASP H H 38 7.838 7.838 8.100 -0.262 19427 2117 1 5 . 1 1 39 39 TYR N N 39 121.210 121.210 123.435 -2.225 19427 2118 1 5 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.644 -0.117 19427 2119 1 5 . 1 1 39 39 TYR C C 39 176.937 176.937 175.116 1.821 19427 2120 1 5 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.536 0.592 19427 2121 1 5 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.319 0.269 19427 2122 1 5 . 1 1 39 39 TYR H H 39 8.202 8.202 8.603 -0.401 19427 2123 1 5 . 1 1 40 40 ASN N N 40 120.622 120.622 119.075 1.547 19427 2124 1 5 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.766 -0.147 19427 2125 1 5 . 1 1 40 40 ASN C C 40 175.853 175.853 176.775 -0.922 19427 2126 1 5 . 1 1 40 40 ASN CA C 40 54.383 54.383 54.688 -0.305 19427 2127 1 5 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.712 -0.206 19427 2128 1 5 . 1 1 40 40 ASN H H 40 8.393 8.393 8.724 -0.331 19427 2129 1 5 . 1 1 41 41 GLY N N 41 107.971 107.971 107.982 -0.011 19427 2130 1 5 . 1 1 41 41 GLY C C 41 173.926 173.926 173.583 0.343 19427 2131 1 5 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.904 0.026 19427 2132 1 5 . 1 1 41 41 GLY H H 41 8.103 8.103 8.936 -0.833 19427 2133 1 5 . 1 1 42 42 LYS N N 42 119.472 119.472 117.537 1.935 19427 2134 1 5 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.379 0.110 19427 2135 1 5 . 1 1 42 42 LYS C C 42 176.201 176.201 175.166 1.035 19427 2136 1 5 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.746 -0.037 19427 2137 1 5 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.054 0.291 19427 2138 1 5 . 1 1 42 42 LYS H H 42 8.652 8.652 8.116 0.536 19427 2139 1 5 . 1 1 43 43 VAL N N 43 112.852 112.852 113.910 -1.058 19427 2140 1 5 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.297 0.033 19427 2141 1 5 . 1 1 43 43 VAL C C 43 174.906 174.906 174.851 0.055 19427 2142 1 5 . 1 1 43 43 VAL CA C 43 59.264 59.264 60.386 -1.121 19427 2143 1 5 . 1 1 43 43 VAL CB C 43 35.953 35.953 33.942 2.011 19427 2144 1 5 . 1 1 43 43 VAL H H 43 7.840 7.840 7.469 0.371 19427 2145 1 5 . 1 1 44 44 LEU N N 44 123.642 123.642 128.943 -5.301 19427 2146 1 5 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.883 -0.094 19427 2147 1 5 . 1 1 44 44 LEU C C 44 175.260 175.260 175.435 -0.175 19427 2148 1 5 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.244 0.632 19427 2149 1 5 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.493 2.005 19427 2150 1 5 . 1 1 44 44 LEU H H 44 8.610 8.610 9.111 -0.501 19427 2151 1 5 . 1 1 45 45 SER N N 45 124.267 124.267 123.624 0.643 19427 2152 1 5 . 1 1 45 45 SER HA H 45 5.052 5.052 4.965 0.087 19427 2153 1 5 . 1 1 45 45 SER C C 45 174.246 174.246 174.108 0.138 19427 2154 1 5 . 1 1 45 45 SER CA C 45 58.852 58.852 58.991 -0.139 19427 2155 1 5 . 1 1 45 45 SER CB C 45 63.509 63.509 63.322 0.187 19427 2156 1 5 . 1 1 45 45 SER H H 45 9.111 9.111 8.878 0.233 19427 2157 1 5 . 1 1 46 46 ILE N N 46 118.924 118.924 121.372 -2.448 19427 2158 1 5 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.854 -0.074 19427 2159 1 5 . 1 1 46 46 ILE C C 46 174.199 174.199 174.123 0.076 19427 2160 1 5 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.611 0.991 19427 2161 1 5 . 1 1 46 46 ILE CB C 46 41.595 41.595 41.685 -0.090 19427 2162 1 5 . 1 1 46 46 ILE H H 46 8.542 8.542 8.972 -0.430 19427 2163 1 5 . 1 1 47 47 ARG N N 47 119.572 119.572 118.802 0.770 19427 2164 1 5 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.604 0.261 19427 2165 1 5 . 1 1 47 47 ARG C C 47 178.511 178.511 177.548 0.963 19427 2166 1 5 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.509 -0.001 19427 2167 1 5 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.790 1.528 19427 2168 1 5 . 1 1 47 47 ARG H H 47 9.488 9.488 9.167 0.321 19427 2169 1 5 . 1 1 48 48 GLN N N 48 122.809 122.809 120.751 2.058 19427 2170 1 5 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.066 -0.248 19427 2171 1 5 . 1 1 48 48 GLN C C 48 178.972 178.972 178.039 0.933 19427 2172 1 5 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.112 1.415 19427 2173 1 5 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.318 -0.034 19427 2174 1 5 . 1 1 48 48 GLN H H 48 9.350 9.350 8.832 0.518 19427 2175 1 5 . 1 1 49 49 ASP N N 49 115.682 115.682 119.257 -3.575 19427 2176 1 5 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.408 -0.048 19427 2177 1 5 . 1 1 49 49 ASP C C 49 178.758 178.758 178.174 0.584 19427 2178 1 5 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.779 -0.422 19427 2179 1 5 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.448 0.035 19427 2180 1 5 . 1 1 49 49 ASP H H 49 8.855 8.855 8.572 0.283 19427 2181 1 5 . 1 1 50 50 ASP N N 50 117.926 117.926 120.011 -2.085 19427 2182 1 5 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.479 0.133 19427 2183 1 5 . 1 1 50 50 ASP C C 50 177.865 177.865 178.589 -0.724 19427 2184 1 5 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.365 0.710 19427 2185 1 5 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.557 1.081 19427 2186 1 5 . 1 1 50 50 ASP H H 50 7.519 7.519 8.495 -0.976 19427 2187 1 5 . 1 1 51 51 LEU N N 51 118.893 118.893 121.251 -2.358 19427 2188 1 5 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.974 -0.062 19427 2189 1 5 . 1 1 51 51 LEU C C 51 178.254 178.254 178.266 -0.012 19427 2190 1 5 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.845 0.284 19427 2191 1 5 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.097 -0.700 19427 2192 1 5 . 1 1 51 51 LEU H H 51 7.444 7.444 7.909 -0.465 19427 2193 1 5 . 1 1 52 52 ARG N N 52 117.366 117.366 118.815 -1.449 19427 2194 1 5 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.954 -0.044 19427 2195 1 5 . 1 1 52 52 ARG C C 52 178.886 178.886 178.653 0.233 19427 2196 1 5 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.625 0.660 19427 2197 1 5 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.151 -0.334 19427 2198 1 5 . 1 1 52 52 ARG H H 52 7.757 7.757 8.165 -0.408 19427 2199 1 5 . 1 1 53 53 THR N N 53 118.266 118.266 117.036 1.230 19427 2200 1 5 . 1 1 53 53 THR HA H 53 3.924 3.924 3.975 -0.051 19427 2201 1 5 . 1 1 53 53 THR C C 53 176.626 176.626 176.537 0.089 19427 2202 1 5 . 1 1 53 53 THR CA C 53 67.001 67.001 66.479 0.522 19427 2203 1 5 . 1 1 53 53 THR CB C 53 68.759 68.759 68.650 0.109 19427 2204 1 5 . 1 1 53 53 THR H H 53 7.973 7.973 7.886 0.087 19427 2205 1 5 . 1 1 54 54 LEU N N 54 122.030 122.030 121.264 0.766 19427 2206 1 5 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.456 0.353 19427 2207 1 5 . 1 1 54 54 LEU C C 54 177.755 177.755 178.193 -0.438 19427 2208 1 5 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.621 0.202 19427 2209 1 5 . 1 1 54 54 LEU CB C 54 43.089 43.089 41.250 1.839 19427 2210 1 5 . 1 1 54 54 LEU H H 54 8.355 8.355 8.040 0.315 19427 2211 1 5 . 1 1 55 55 ALA N N 55 122.634 122.634 120.457 2.177 19427 2212 1 5 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.991 -0.099 19427 2213 1 5 . 1 1 55 55 ALA C C 55 179.192 179.192 179.140 0.052 19427 2214 1 5 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.059 1.446 19427 2215 1 5 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.961 -0.797 19427 2216 1 5 . 1 1 55 55 ALA H H 55 8.195 8.195 7.891 0.304 19427 2217 1 5 . 1 1 56 56 VAL N N 56 118.079 118.079 118.770 -0.691 19427 2218 1 5 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.593 0.268 19427 2219 1 5 . 1 1 56 56 VAL C C 56 180.389 180.389 178.662 1.727 19427 2220 1 5 . 1 1 56 56 VAL CA C 56 66.587 66.587 66.071 0.516 19427 2221 1 5 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.825 -0.132 19427 2222 1 5 . 1 1 56 56 VAL H H 56 7.402 7.402 7.191 0.211 19427 2223 1 5 . 1 1 57 57 ILE N N 57 122.536 122.536 120.643 1.893 19427 2224 1 5 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.631 -0.027 19427 2225 1 5 . 1 1 57 57 ILE C C 57 177.942 177.942 177.298 0.644 19427 2226 1 5 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.250 1.593 19427 2227 1 5 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.752 0.634 19427 2228 1 5 . 1 1 57 57 ILE H H 57 7.893 7.893 7.273 0.620 19427 2229 1 5 . 1 1 58 58 TYR N N 58 117.060 117.060 115.601 1.459 19427 2230 1 5 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.569 -0.438 19427 2231 1 5 . 1 1 58 58 TYR C C 58 174.728 174.728 175.184 -0.456 19427 2232 1 5 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.394 5.370 19427 2233 1 5 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.904 1.123 19427 2234 1 5 . 1 1 58 58 TYR H H 58 8.319 8.319 7.617 0.702 19427 2235 1 5 . 1 1 59 59 ASP N N 59 122.545 122.545 119.825 2.720 19427 2236 1 5 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.230 0.120 19427 2237 1 5 . 1 1 59 59 ASP C C 59 174.853 174.853 174.902 -0.049 19427 2238 1 5 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.334 -0.221 19427 2239 1 5 . 1 1 59 59 ASP CB C 59 39.812 39.812 40.064 -0.252 19427 2240 1 5 . 1 1 59 59 ASP H H 59 8.177 8.177 7.658 0.519 19427 2241 1 5 . 1 1 60 60 GLN N N 60 116.007 116.007 119.739 -3.732 19427 2242 1 5 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.777 -0.047 19427 2243 1 5 . 1 1 60 60 GLN C C 60 174.853 174.853 174.362 0.491 19427 2244 1 5 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.591 -0.078 19427 2245 1 5 . 1 1 60 60 GLN CB C 60 34.384 34.384 33.539 0.845 19427 2246 1 5 . 1 1 60 60 GLN H H 60 8.424 8.424 8.548 -0.124 19427 2247 1 5 . 1 1 61 61 SER N N 61 116.009 116.009 114.045 1.964 19427 2248 1 5 . 1 1 61 61 SER HA H 61 4.783 4.783 4.854 -0.071 19427 2249 1 5 . 1 1 61 61 SER CA C 61 56.443 56.443 55.096 1.347 19427 2250 1 5 . 1 1 61 61 SER CB C 61 62.811 62.811 63.775 -0.964 19427 2251 1 5 . 1 1 61 61 SER H H 61 8.424 8.424 8.356 0.068 19427 2252 1 5 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.152 -0.116 19427 2253 1 5 . 1 1 62 62 PRO C C 62 179.161 179.161 178.440 0.721 19427 2254 1 5 . 1 1 62 62 PRO CA C 62 66.496 66.496 66.598 -0.102 19427 2255 1 5 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.571 0.209 19427 2256 1 5 . 1 1 63 63 SER N N 63 114.103 114.103 111.516 2.587 19427 2257 1 5 . 1 1 63 63 SER HA H 63 4.838 4.838 4.223 0.615 19427 2258 1 5 . 1 1 63 63 SER C C 63 176.141 176.141 176.175 -0.034 19427 2259 1 5 . 1 1 63 63 SER CB C 63 62.293 62.293 62.372 -0.079 19427 2260 1 5 . 1 1 63 63 SER H H 63 8.596 8.596 8.333 0.263 19427 2261 1 5 . 1 1 64 64 VAL N N 64 125.461 125.461 121.922 3.539 19427 2262 1 5 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.669 -0.108 19427 2263 1 5 . 1 1 64 64 VAL C C 64 178.754 178.754 177.584 1.170 19427 2264 1 5 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.945 0.487 19427 2265 1 5 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.647 0.370 19427 2266 1 5 . 1 1 64 64 VAL H H 64 7.381 7.381 7.315 0.066 19427 2267 1 5 . 1 1 65 65 LEU N N 65 121.843 121.843 120.947 0.896 19427 2268 1 5 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.984 -0.085 19427 2269 1 5 . 1 1 65 65 LEU C C 65 178.836 178.836 178.586 0.250 19427 2270 1 5 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.451 -1.139 19427 2271 1 5 . 1 1 65 65 LEU CB C 65 41.255 41.255 41.100 0.155 19427 2272 1 5 . 1 1 65 65 LEU H H 65 8.437 8.437 8.647 -0.210 19427 2273 1 5 . 1 1 66 66 THR N N 66 115.794 115.794 114.113 1.681 19427 2274 1 5 . 1 1 66 66 THR HA H 66 3.321 3.321 3.836 -0.515 19427 2275 1 5 . 1 1 66 66 THR C C 66 175.591 175.591 176.420 -0.829 19427 2276 1 5 . 1 1 66 66 THR CA C 66 69.056 69.056 66.884 2.172 19427 2277 1 5 . 1 1 66 66 THR CB C 66 67.992 67.992 68.521 -0.529 19427 2278 1 5 . 1 1 66 66 THR H H 66 8.079 8.079 8.316 -0.237 19427 2279 1 5 . 1 1 67 67 GLU N N 67 118.543 118.543 120.445 -1.902 19427 2280 1 5 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.932 -0.091 19427 2281 1 5 . 1 1 67 67 GLU C C 67 179.342 179.342 178.982 0.360 19427 2282 1 5 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.562 -0.337 19427 2283 1 5 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.050 -0.129 19427 2284 1 5 . 1 1 67 67 GLU H H 67 7.594 7.594 8.017 -0.423 19427 2285 1 5 . 1 1 68 68 GLN N N 68 120.882 120.882 119.326 1.556 19427 2286 1 5 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.664 0.036 19427 2287 1 5 . 1 1 68 68 GLN C C 68 177.403 177.403 177.920 -0.517 19427 2288 1 5 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.280 0.114 19427 2289 1 5 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.322 0.052 19427 2290 1 5 . 1 1 68 68 GLN H H 68 7.847 7.847 7.512 0.335 19427 2291 1 5 . 1 1 69 69 LEU N N 69 118.421 118.421 119.852 -1.431 19427 2292 1 5 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.731 -0.258 19427 2293 1 5 . 1 1 69 69 LEU C C 69 180.177 180.177 179.458 0.719 19427 2294 1 5 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.760 0.653 19427 2295 1 5 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.131 -0.160 19427 2296 1 5 . 1 1 69 69 LEU H H 69 7.986 7.986 7.584 0.402 19427 2297 1 5 . 1 1 70 70 ILE N N 70 121.346 121.346 118.878 2.468 19427 2298 1 5 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.028 0.132 19427 2299 1 5 . 1 1 70 70 ILE C C 70 180.910 180.910 178.503 2.407 19427 2300 1 5 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.460 0.590 19427 2301 1 5 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.812 0.533 19427 2302 1 5 . 1 1 70 70 ILE H H 70 8.262 8.262 8.307 -0.045 19427 2303 1 5 . 1 1 71 71 SER N N 71 120.236 120.236 115.603 4.633 19427 2304 1 5 . 1 1 71 71 SER HA H 71 4.273 4.273 4.152 0.121 19427 2305 1 5 . 1 1 71 71 SER C C 71 177.045 177.045 176.423 0.622 19427 2306 1 5 . 1 1 71 71 SER CA C 71 62.544 62.544 61.345 1.199 19427 2307 1 5 . 1 1 71 71 SER CB C 71 62.839 62.839 63.172 -0.333 19427 2308 1 5 . 1 1 71 71 SER H H 71 8.388 8.388 7.645 0.743 19427 2309 1 5 . 1 1 72 72 TRP N N 72 119.364 119.364 119.645 -0.281 19427 2310 1 5 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.673 0.253 19427 2311 1 5 . 1 1 72 72 TRP C C 72 176.839 176.839 176.777 0.062 19427 2312 1 5 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.738 -1.974 19427 2313 1 5 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.136 2.128 19427 2314 1 5 . 1 1 72 72 TRP H H 72 8.066 8.066 7.990 0.075 19427 2315 1 5 . 1 1 73 73 GLY N N 73 106.514 106.514 104.799 1.715 19427 2316 1 5 . 1 1 73 73 GLY C C 73 174.697 174.697 175.101 -0.404 19427 2317 1 5 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.889 -0.486 19427 2318 1 5 . 1 1 73 73 GLY H H 73 8.242 8.242 7.458 0.784 19427 2319 1 5 . 1 1 74 74 VAL N N 74 114.793 114.793 118.890 -4.097 19427 2320 1 5 . 1 1 74 74 VAL HA H 74 4.197 4.197 3.996 0.201 19427 2321 1 5 . 1 1 74 74 VAL C C 74 174.015 174.015 175.598 -1.583 19427 2322 1 5 . 1 1 74 74 VAL CA C 74 63.113 63.113 65.302 -2.189 19427 2323 1 5 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.378 0.471 19427 2324 1 5 . 1 1 74 74 VAL H H 74 7.834 7.834 7.932 -0.098 19427 2325 1 5 . 1 1 75 75 LEU N N 75 118.357 118.357 119.532 -1.175 19427 2326 1 5 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.848 0.063 19427 2327 1 5 . 1 1 75 75 LEU C C 75 175.022 175.022 175.470 -0.448 19427 2328 1 5 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.594 0.038 19427 2329 1 5 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.477 1.681 19427 2330 1 5 . 1 1 75 75 LEU H H 75 6.898 6.898 7.644 -0.746 19427 2331 1 5 . 1 1 76 76 ASP N N 76 122.400 122.400 125.245 -2.845 19427 2332 1 5 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.593 0.010 19427 2333 1 5 . 1 1 76 76 ASP C C 76 176.384 176.384 176.570 -0.186 19427 2334 1 5 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.165 0.218 19427 2335 1 5 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.218 0.009 19427 2336 1 5 . 1 1 76 76 ASP H H 76 8.412 8.412 8.843 -0.431 19427 2337 1 5 . 1 1 77 77 ALA N N 77 123.828 123.828 126.842 -3.014 19427 2338 1 5 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.032 0.022 19427 2339 1 5 . 1 1 77 77 ALA C C 77 179.068 179.068 178.684 0.384 19427 2340 1 5 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.598 0.133 19427 2341 1 5 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.988 -0.239 19427 2342 1 5 . 1 1 77 77 ALA H H 77 8.601 8.601 8.550 0.051 19427 2343 1 5 . 1 1 78 78 ASP N N 78 118.882 118.882 118.870 0.012 19427 2344 1 5 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.536 -0.023 19427 2345 1 5 . 1 1 78 78 ASP C C 78 174.868 174.868 177.828 -2.960 19427 2346 1 5 . 1 1 78 78 ASP CA C 78 56.278 56.278 55.938 0.340 19427 2347 1 5 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.837 0.071 19427 2348 1 5 . 1 1 78 78 ASP H H 78 8.791 8.791 8.631 0.160 19427 2349 1 5 . 1 1 79 79 ALA N N 79 121.027 121.027 122.830 -1.803 19427 2350 1 5 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.960 0.041 19427 2351 1 5 . 1 1 79 79 ALA C C 79 178.803 178.803 178.602 0.201 19427 2352 1 5 . 1 1 79 79 ALA CA C 79 54.391 54.391 55.090 -0.699 19427 2353 1 5 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.321 1.599 19427 2354 1 5 . 1 1 79 79 ALA H H 79 8.287 8.287 7.723 0.564 19427 2355 1 5 . 1 1 80 80 ARG N N 80 115.805 115.805 117.806 -2.001 19427 2356 1 5 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.032 -0.108 19427 2357 1 5 . 1 1 80 80 ARG C C 80 178.254 178.254 177.723 0.531 19427 2358 1 5 . 1 1 80 80 ARG CA C 80 59.229 59.229 57.990 1.239 19427 2359 1 5 . 1 1 80 80 ARG CB C 80 30.257 30.257 28.558 1.699 19427 2360 1 5 . 1 1 80 80 ARG H H 80 7.689 7.689 7.799 -0.110 19427 2361 1 5 . 1 1 81 81 ARG N N 81 117.554 117.554 119.178 -1.624 19427 2362 1 5 . 1 1 81 81 ARG HA H 81 4.206 4.206 3.913 0.293 19427 2363 1 5 . 1 1 81 81 ARG C C 81 177.214 177.214 176.912 0.302 19427 2364 1 5 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.684 -0.991 19427 2365 1 5 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.622 0.620 19427 2366 1 5 . 1 1 81 81 ARG H H 81 7.782 7.782 7.720 0.062 19427 2367 1 5 . 1 1 82 82 ALA N N 82 121.590 121.590 119.878 1.712 19427 2368 1 5 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.135 0.144 19427 2369 1 5 . 1 1 82 82 ALA C C 82 177.798 177.798 178.391 -0.593 19427 2370 1 5 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.282 -1.027 19427 2371 1 5 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.141 0.422 19427 2372 1 5 . 1 1 82 82 ALA H H 82 7.875 7.875 7.605 0.270 19427 2373 1 5 . 1 1 83 83 VAL N N 83 114.483 114.483 116.232 -1.749 19427 2374 1 5 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.209 -0.068 19427 2375 1 5 . 1 1 83 83 VAL C C 83 175.572 175.572 176.604 -1.032 19427 2376 1 5 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.645 -0.605 19427 2377 1 5 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.565 0.216 19427 2378 1 5 . 1 1 83 83 VAL H H 83 7.503 7.503 7.811 -0.308 19427 2379 1 5 . 1 1 84 84 ALA N N 84 125.870 125.870 123.233 2.637 19427 2380 1 5 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.434 -0.113 19427 2381 1 5 . 1 1 84 84 ALA C C 84 177.696 177.696 176.135 1.561 19427 2382 1 5 . 1 1 84 84 ALA CA C 84 52.771 52.771 51.342 1.429 19427 2383 1 5 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.639 -1.127 19427 2384 1 5 . 1 1 84 84 ALA H H 84 7.876 7.876 7.998 -0.122 19427 2385 1 5 . 1 1 85 85 SER N N 85 114.965 114.965 113.961 1.004 19427 2386 1 5 . 1 1 85 85 SER HA H 85 4.396 4.396 4.459 -0.063 19427 2387 1 5 . 1 1 85 85 SER CA C 85 58.393 58.393 58.100 0.293 19427 2388 1 5 . 1 1 85 85 SER CB C 85 63.915 63.915 64.298 -0.383 19427 2389 1 5 . 1 1 85 85 SER H H 85 8.521 8.521 8.137 0.384 19427 2390 1 5 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.463 0.203 19427 2391 1 5 . 1 1 86 86 HIS C C 86 174.868 174.868 175.835 -0.967 19427 2392 1 5 . 1 1 86 86 HIS CA C 86 56.321 56.321 58.609 -2.288 19427 2393 1 5 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.261 0.051 19427 2394 1 5 . 1 1 87 87 ASP N N 87 121.205 121.205 117.820 3.385 19427 2395 1 5 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.831 -0.228 19427 2396 1 5 . 1 1 87 87 ASP C C 87 175.917 175.917 176.169 -0.252 19427 2397 1 5 . 1 1 87 87 ASP CA C 87 54.577 54.577 53.283 1.294 19427 2398 1 5 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.318 -1.062 19427 2399 1 5 . 1 1 87 87 ASP H H 87 8.326 8.326 7.989 0.337 19427 2400 1 5 . 1 1 88 88 GLU N N 88 121.167 121.167 119.763 1.404 19427 2401 1 5 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.290 0.027 19427 2402 1 5 . 1 1 88 88 GLU C C 88 175.455 175.455 176.849 -1.394 19427 2403 1 5 . 1 1 88 88 GLU CA C 88 56.372 56.372 57.671 -1.299 19427 2404 1 5 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.293 0.080 19427 2405 1 5 . 1 1 88 88 GLU H H 88 8.352 8.352 8.618 -0.266 19427 2406 1 6 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.346 0.055 19427 2407 1 6 . 1 1 5 5 PRO C C 5 176.334 176.334 175.801 0.533 19427 2408 1 6 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.158 -0.375 19427 2409 1 6 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.671 0.683 19427 2410 1 6 . 1 1 6 6 LYS N N 6 121.980 121.980 123.050 -1.070 19427 2411 1 6 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.330 0.044 19427 2412 1 6 . 1 1 6 6 LYS C C 6 175.715 175.715 176.299 -0.584 19427 2413 1 6 . 1 1 6 6 LYS CA C 6 56.172 56.172 56.043 0.129 19427 2414 1 6 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.378 -0.108 19427 2415 1 6 . 1 1 6 6 LYS H H 6 8.546 8.546 8.145 0.401 19427 2416 1 6 . 1 1 7 7 LEU N N 7 125.018 125.018 126.232 -1.214 19427 2417 1 6 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.633 -0.110 19427 2418 1 6 . 1 1 7 7 LEU C C 7 174.994 174.994 175.416 -0.422 19427 2419 1 6 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.821 0.229 19427 2420 1 6 . 1 1 7 7 LEU CB C 7 43.171 43.171 44.293 -1.122 19427 2421 1 6 . 1 1 7 7 LEU H H 7 8.620 8.620 8.983 -0.363 19427 2422 1 6 . 1 1 8 8 VAL N N 8 121.522 121.522 123.134 -1.612 19427 2423 1 6 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.584 -0.037 19427 2424 1 6 . 1 1 8 8 VAL C C 8 175.042 175.042 174.697 0.345 19427 2425 1 6 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.458 -0.252 19427 2426 1 6 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.600 1.996 19427 2427 1 6 . 1 1 8 8 VAL H H 8 8.084 8.084 8.595 -0.511 19427 2428 1 6 . 1 1 9 9 LEU N N 9 126.312 126.312 129.500 -3.188 19427 2429 1 6 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.971 -0.031 19427 2430 1 6 . 1 1 9 9 LEU C C 9 175.831 175.831 174.754 1.077 19427 2431 1 6 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.747 -0.201 19427 2432 1 6 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.752 -0.519 19427 2433 1 6 . 1 1 9 9 LEU H H 9 9.137 9.137 9.261 -0.124 19427 2434 1 6 . 1 1 10 10 ASP N N 10 123.236 123.236 127.550 -4.314 19427 2435 1 6 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.872 -0.024 19427 2436 1 6 . 1 1 10 10 ASP C C 10 176.685 176.685 176.798 -0.113 19427 2437 1 6 . 1 1 10 10 ASP CA C 10 53.593 53.593 53.644 -0.051 19427 2438 1 6 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.915 -1.095 19427 2439 1 6 . 1 1 10 10 ASP H H 10 9.002 9.002 9.094 -0.092 19427 2440 1 6 . 1 1 11 11 LEU N N 11 124.059 124.059 127.055 -2.996 19427 2441 1 6 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.085 -0.019 19427 2442 1 6 . 1 1 11 11 LEU C C 11 180.169 180.169 178.871 1.298 19427 2443 1 6 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.688 -0.675 19427 2444 1 6 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.042 -1.192 19427 2445 1 6 . 1 1 11 11 LEU H H 11 8.273 8.273 8.719 -0.446 19427 2446 1 6 . 1 1 12 12 GLU N N 12 121.967 121.967 118.628 3.339 19427 2447 1 6 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.017 0.157 19427 2448 1 6 . 1 1 12 12 GLU C C 12 179.719 179.719 178.885 0.834 19427 2449 1 6 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.075 0.553 19427 2450 1 6 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.355 0.205 19427 2451 1 6 . 1 1 12 12 GLU H H 12 8.273 8.273 7.826 0.447 19427 2452 1 6 . 1 1 13 13 ARG N N 13 119.595 119.595 119.546 0.049 19427 2453 1 6 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.153 0.019 19427 2454 1 6 . 1 1 13 13 ARG C C 13 179.909 179.909 178.912 0.997 19427 2455 1 6 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.434 -0.123 19427 2456 1 6 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.735 -0.180 19427 2457 1 6 . 1 1 13 13 ARG H H 13 8.081 8.081 9.023 -0.942 19427 2458 1 6 . 1 1 14 14 LEU N N 14 120.325 120.325 119.695 0.630 19427 2459 1 6 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.142 -0.195 19427 2460 1 6 . 1 1 14 14 LEU C C 14 177.166 177.166 178.834 -1.668 19427 2461 1 6 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.675 -0.101 19427 2462 1 6 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.689 0.109 19427 2463 1 6 . 1 1 14 14 LEU H H 14 8.205 8.205 7.778 0.427 19427 2464 1 6 . 1 1 15 15 ALA N N 15 117.835 117.835 118.327 -0.492 19427 2465 1 6 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.184 -0.059 19427 2466 1 6 . 1 1 15 15 ALA C C 15 178.500 178.500 178.094 0.406 19427 2467 1 6 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.985 0.335 19427 2468 1 6 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.630 0.082 19427 2469 1 6 . 1 1 15 15 ALA H H 15 7.265 7.265 7.510 -0.245 19427 2470 1 6 . 1 1 16 16 THR N N 16 105.967 105.967 112.633 -6.666 19427 2471 1 6 . 1 1 16 16 THR HA H 16 4.378 4.378 4.213 0.165 19427 2472 1 6 . 1 1 16 16 THR C C 16 174.639 174.639 174.527 0.112 19427 2473 1 6 . 1 1 16 16 THR CA C 16 61.642 61.642 63.319 -1.677 19427 2474 1 6 . 1 1 16 16 THR CB C 16 69.957 69.957 69.216 0.741 19427 2475 1 6 . 1 1 16 16 THR H H 16 7.530 7.530 7.427 0.103 19427 2476 1 6 . 1 1 17 17 VAL N N 17 126.962 126.962 124.274 2.688 19427 2477 1 6 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.123 -0.138 19427 2478 1 6 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.542 0.993 19427 2479 1 6 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.785 0.603 19427 2480 1 6 . 1 1 17 17 VAL H H 17 7.208 7.208 7.255 -0.047 19427 2481 1 6 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.268 -0.000 19427 2482 1 6 . 1 1 18 18 PRO C C 18 178.094 178.094 177.530 0.564 19427 2483 1 6 . 1 1 18 18 PRO CA C 18 63.848 63.848 62.571 1.277 19427 2484 1 6 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.381 0.330 19427 2485 1 6 . 1 1 19 19 ALA N N 19 128.383 128.383 125.132 3.251 19427 2486 1 6 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.003 -0.059 19427 2487 1 6 . 1 1 19 19 ALA C C 19 180.008 180.008 179.857 0.151 19427 2488 1 6 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.735 0.582 19427 2489 1 6 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.562 0.352 19427 2490 1 6 . 1 1 19 19 ALA H H 19 8.872 8.872 8.586 0.286 19427 2491 1 6 . 1 1 20 20 GLU N N 20 118.522 118.522 119.115 -0.593 19427 2492 1 6 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.029 0.085 19427 2493 1 6 . 1 1 20 20 GLU C C 20 177.573 177.573 178.054 -0.481 19427 2494 1 6 . 1 1 20 20 GLU CA C 20 59.636 59.636 59.132 0.504 19427 2495 1 6 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.121 -0.283 19427 2496 1 6 . 1 1 20 20 GLU H H 20 9.459 9.459 8.817 0.642 19427 2497 1 6 . 1 1 21 21 LYS N N 21 115.147 115.147 116.297 -1.150 19427 2498 1 6 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.326 0.326 19427 2499 1 6 . 1 1 21 21 LYS C C 21 177.045 177.045 177.051 -0.006 19427 2500 1 6 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.071 -0.084 19427 2501 1 6 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.157 0.795 19427 2502 1 6 . 1 1 21 21 LYS H H 21 7.441 7.441 7.478 -0.037 19427 2503 1 6 . 1 1 22 22 ALA N N 22 119.898 119.898 120.113 -0.215 19427 2504 1 6 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.511 -0.367 19427 2505 1 6 . 1 1 22 22 ALA C C 22 177.520 177.520 178.858 -1.338 19427 2506 1 6 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.437 0.744 19427 2507 1 6 . 1 1 22 22 ALA CB C 22 20.231 20.231 19.407 0.824 19427 2508 1 6 . 1 1 22 22 ALA H H 22 8.096 8.096 7.633 0.463 19427 2509 1 6 . 1 1 23 23 GLY N N 23 107.148 107.148 108.965 -1.817 19427 2510 1 6 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.187 0.825 19427 2511 1 6 . 1 1 23 23 GLY H H 23 8.484 8.484 8.251 0.233 19427 2512 1 6 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.326 -0.152 19427 2513 1 6 . 1 1 24 24 PRO C C 24 179.318 179.318 178.467 0.851 19427 2514 1 6 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.312 0.641 19427 2515 1 6 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.306 0.065 19427 2516 1 6 . 1 1 25 25 LEU N N 25 118.416 118.416 119.993 -1.577 19427 2517 1 6 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.530 -0.174 19427 2518 1 6 . 1 1 25 25 LEU C C 25 177.871 177.871 179.148 -1.277 19427 2519 1 6 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.095 0.840 19427 2520 1 6 . 1 1 25 25 LEU CB C 25 42.350 42.350 42.101 0.249 19427 2521 1 6 . 1 1 25 25 LEU H H 25 7.394 7.394 7.102 0.292 19427 2522 1 6 . 1 1 26 26 GLN N N 26 119.819 119.819 119.194 0.625 19427 2523 1 6 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.977 -0.083 19427 2524 1 6 . 1 1 26 26 GLN C C 26 179.865 179.865 178.863 1.002 19427 2525 1 6 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.333 0.438 19427 2526 1 6 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.108 -0.554 19427 2527 1 6 . 1 1 26 26 GLN H H 26 8.885 8.885 8.535 0.350 19427 2528 1 6 . 1 1 27 27 ARG N N 27 119.761 119.761 119.815 -0.054 19427 2529 1 6 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.086 0.055 19427 2530 1 6 . 1 1 27 27 ARG C C 27 178.950 178.950 178.785 0.165 19427 2531 1 6 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.091 0.545 19427 2532 1 6 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.782 0.634 19427 2533 1 6 . 1 1 27 27 ARG H H 27 8.694 8.694 8.208 0.486 19427 2534 1 6 . 1 1 28 28 TYR N N 28 122.540 122.540 120.885 1.655 19427 2535 1 6 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.212 -0.041 19427 2536 1 6 . 1 1 28 28 TYR C C 28 177.843 177.843 177.234 0.609 19427 2537 1 6 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.531 0.747 19427 2538 1 6 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.449 1.264 19427 2539 1 6 . 1 1 28 28 TYR H H 28 8.211 8.211 7.824 0.387 19427 2540 1 6 . 1 1 29 29 ALA N N 29 120.477 120.477 121.229 -0.752 19427 2541 1 6 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.840 -0.078 19427 2542 1 6 . 1 1 29 29 ALA C C 29 178.739 178.739 179.345 -0.606 19427 2543 1 6 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.204 -0.019 19427 2544 1 6 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.970 -0.041 19427 2545 1 6 . 1 1 29 29 ALA H H 29 9.065 9.065 8.834 0.231 19427 2546 1 6 . 1 1 30 30 ALA N N 30 118.596 118.596 120.498 -1.902 19427 2547 1 6 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.102 0.185 19427 2548 1 6 . 1 1 30 30 ALA C C 30 180.895 180.895 179.791 1.104 19427 2549 1 6 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.337 -0.262 19427 2550 1 6 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.202 -0.116 19427 2551 1 6 . 1 1 30 30 ALA H H 30 7.741 7.741 8.639 -0.898 19427 2552 1 6 . 1 1 31 31 THR N N 31 116.024 116.024 116.567 -0.543 19427 2553 1 6 . 1 1 31 31 THR HA H 31 3.995 3.995 3.990 0.005 19427 2554 1 6 . 1 1 31 31 THR C C 31 176.687 176.687 176.643 0.044 19427 2555 1 6 . 1 1 31 31 THR CA C 31 66.452 66.452 66.755 -0.303 19427 2556 1 6 . 1 1 31 31 THR CB C 31 68.867 68.867 68.512 0.355 19427 2557 1 6 . 1 1 31 31 THR H H 31 7.914 7.914 7.739 0.175 19427 2558 1 6 . 1 1 32 32 ILE N N 32 121.094 121.094 121.850 -0.756 19427 2559 1 6 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.603 0.212 19427 2560 1 6 . 1 1 32 32 ILE C C 32 178.583 178.583 178.123 0.460 19427 2561 1 6 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.860 0.293 19427 2562 1 6 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.451 0.489 19427 2563 1 6 . 1 1 32 32 ILE H H 32 7.846 7.846 8.070 -0.224 19427 2564 1 6 . 1 1 33 33 GLN N N 33 119.832 119.832 119.321 0.511 19427 2565 1 6 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.951 -0.112 19427 2566 1 6 . 1 1 33 33 GLN C C 33 178.264 178.264 178.957 -0.693 19427 2567 1 6 . 1 1 33 33 GLN CA C 33 59.858 59.858 58.889 0.969 19427 2568 1 6 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.117 1.248 19427 2569 1 6 . 1 1 33 33 GLN H H 33 8.374 8.374 8.495 -0.121 19427 2570 1 6 . 1 1 34 34 SER N N 34 112.726 112.726 114.434 -1.708 19427 2571 1 6 . 1 1 34 34 SER HA H 34 4.333 4.333 4.085 0.248 19427 2572 1 6 . 1 1 34 34 SER C C 34 176.817 176.817 176.485 0.332 19427 2573 1 6 . 1 1 34 34 SER CA C 34 60.915 60.915 61.462 -0.547 19427 2574 1 6 . 1 1 34 34 SER CB C 34 63.235 63.235 62.772 0.463 19427 2575 1 6 . 1 1 34 34 SER H H 34 7.816 7.816 8.022 -0.206 19427 2576 1 6 . 1 1 35 35 GLN N N 35 120.724 120.724 119.633 1.091 19427 2577 1 6 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.177 0.017 19427 2578 1 6 . 1 1 35 35 GLN C C 35 177.930 177.930 177.549 0.381 19427 2579 1 6 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.505 0.604 19427 2580 1 6 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.920 0.268 19427 2581 1 6 . 1 1 35 35 GLN H H 35 8.034 8.034 7.566 0.468 19427 2582 1 6 . 1 1 36 36 ARG N N 36 116.267 116.267 119.533 -3.266 19427 2583 1 6 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.179 0.219 19427 2584 1 6 . 1 1 36 36 ARG C C 36 177.013 177.013 177.844 -0.831 19427 2585 1 6 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.468 -0.044 19427 2586 1 6 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.686 0.732 19427 2587 1 6 . 1 1 36 36 ARG H H 36 8.091 8.091 7.864 0.227 19427 2588 1 6 . 1 1 37 37 GLY N N 37 109.299 109.299 107.871 1.428 19427 2589 1 6 . 1 1 37 37 GLY C C 37 173.661 173.661 173.535 0.126 19427 2590 1 6 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.184 1.086 19427 2591 1 6 . 1 1 37 37 GLY H H 37 7.972 7.972 7.907 0.065 19427 2592 1 6 . 1 1 38 38 ASP N N 38 119.246 119.246 122.994 -3.748 19427 2593 1 6 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.635 0.080 19427 2594 1 6 . 1 1 38 38 ASP C C 38 175.405 175.405 175.426 -0.021 19427 2595 1 6 . 1 1 38 38 ASP CA C 38 53.171 53.171 52.489 0.682 19427 2596 1 6 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.643 -1.003 19427 2597 1 6 . 1 1 38 38 ASP H H 38 7.838 7.838 7.647 0.191 19427 2598 1 6 . 1 1 39 39 TYR N N 39 121.210 121.210 122.631 -1.421 19427 2599 1 6 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.621 -0.094 19427 2600 1 6 . 1 1 39 39 TYR C C 39 176.937 176.937 176.636 0.301 19427 2601 1 6 . 1 1 39 39 TYR CA C 39 58.128 58.128 58.807 -0.679 19427 2602 1 6 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.114 0.474 19427 2603 1 6 . 1 1 39 39 TYR H H 39 8.202 8.202 8.475 -0.273 19427 2604 1 6 . 1 1 40 40 ASN N N 40 120.622 120.622 120.767 -0.145 19427 2605 1 6 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.480 0.139 19427 2606 1 6 . 1 1 40 40 ASN C C 40 175.853 175.853 176.619 -0.766 19427 2607 1 6 . 1 1 40 40 ASN CA C 40 54.383 54.383 55.242 -0.859 19427 2608 1 6 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.473 0.033 19427 2609 1 6 . 1 1 40 40 ASN H H 40 8.393 8.393 8.729 -0.336 19427 2610 1 6 . 1 1 41 41 GLY N N 41 107.971 107.971 106.208 1.763 19427 2611 1 6 . 1 1 41 41 GLY C C 41 173.926 173.926 174.452 -0.526 19427 2612 1 6 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.019 0.911 19427 2613 1 6 . 1 1 41 41 GLY H H 41 8.103 8.103 8.116 -0.013 19427 2614 1 6 . 1 1 42 42 LYS N N 42 119.472 119.472 122.488 -3.016 19427 2615 1 6 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.491 -0.002 19427 2616 1 6 . 1 1 42 42 LYS C C 42 176.201 176.201 175.895 0.306 19427 2617 1 6 . 1 1 42 42 LYS CA C 42 57.709 57.709 56.659 1.050 19427 2618 1 6 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.547 0.798 19427 2619 1 6 . 1 1 42 42 LYS H H 42 8.652 8.652 8.562 0.090 19427 2620 1 6 . 1 1 43 43 VAL N N 43 112.852 112.852 111.929 0.923 19427 2621 1 6 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.144 0.186 19427 2622 1 6 . 1 1 43 43 VAL C C 43 174.906 174.906 174.490 0.416 19427 2623 1 6 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.161 0.103 19427 2624 1 6 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.932 0.021 19427 2625 1 6 . 1 1 43 43 VAL H H 43 7.840 7.840 7.170 0.670 19427 2626 1 6 . 1 1 44 44 LEU N N 44 123.642 123.642 121.471 2.171 19427 2627 1 6 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.977 -0.188 19427 2628 1 6 . 1 1 44 44 LEU C C 44 175.260 175.260 174.924 0.336 19427 2629 1 6 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.052 -0.176 19427 2630 1 6 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.048 1.450 19427 2631 1 6 . 1 1 44 44 LEU H H 44 8.610 8.610 8.909 -0.299 19427 2632 1 6 . 1 1 45 45 SER N N 45 124.267 124.267 122.167 2.100 19427 2633 1 6 . 1 1 45 45 SER HA H 45 5.052 5.052 5.299 -0.247 19427 2634 1 6 . 1 1 45 45 SER C C 45 174.246 174.246 174.375 -0.129 19427 2635 1 6 . 1 1 45 45 SER CA C 45 58.852 58.852 57.541 1.311 19427 2636 1 6 . 1 1 45 45 SER CB C 45 63.509 63.509 63.281 0.228 19427 2637 1 6 . 1 1 45 45 SER H H 45 9.111 9.111 8.339 0.772 19427 2638 1 6 . 1 1 46 46 ILE N N 46 118.924 118.924 119.894 -0.970 19427 2639 1 6 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.718 0.062 19427 2640 1 6 . 1 1 46 46 ILE C C 46 174.199 174.199 174.883 -0.684 19427 2641 1 6 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.386 1.216 19427 2642 1 6 . 1 1 46 46 ILE CB C 46 41.595 41.595 41.738 -0.143 19427 2643 1 6 . 1 1 46 46 ILE H H 46 8.542 8.542 8.893 -0.351 19427 2644 1 6 . 1 1 47 47 ARG N N 47 119.572 119.572 121.153 -1.581 19427 2645 1 6 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.444 0.421 19427 2646 1 6 . 1 1 47 47 ARG C C 47 178.511 178.511 178.026 0.485 19427 2647 1 6 . 1 1 47 47 ARG CA C 47 54.508 54.508 55.908 -1.400 19427 2648 1 6 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.306 2.011 19427 2649 1 6 . 1 1 47 47 ARG H H 47 9.488 9.488 8.649 0.839 19427 2650 1 6 . 1 1 48 48 GLN N N 48 122.809 122.809 121.497 1.312 19427 2651 1 6 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.985 -0.167 19427 2652 1 6 . 1 1 48 48 GLN C C 48 178.972 178.972 176.870 2.102 19427 2653 1 6 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.032 1.495 19427 2654 1 6 . 1 1 48 48 GLN CB C 48 28.284 28.284 27.918 0.366 19427 2655 1 6 . 1 1 48 48 GLN H H 48 9.350 9.350 8.863 0.487 19427 2656 1 6 . 1 1 49 49 ASP N N 49 115.682 115.682 117.858 -2.176 19427 2657 1 6 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.618 -0.258 19427 2658 1 6 . 1 1 49 49 ASP C C 49 178.758 178.758 177.252 1.506 19427 2659 1 6 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.047 1.310 19427 2660 1 6 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.362 0.121 19427 2661 1 6 . 1 1 49 49 ASP H H 49 8.855 8.855 8.399 0.456 19427 2662 1 6 . 1 1 50 50 ASP N N 50 117.926 117.926 119.585 -1.659 19427 2663 1 6 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.427 0.185 19427 2664 1 6 . 1 1 50 50 ASP C C 50 177.865 177.865 178.634 -0.769 19427 2665 1 6 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.352 1.723 19427 2666 1 6 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.224 0.415 19427 2667 1 6 . 1 1 50 50 ASP H H 50 7.519 7.519 7.254 0.265 19427 2668 1 6 . 1 1 51 51 LEU N N 51 118.893 118.893 120.354 -1.461 19427 2669 1 6 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.117 -0.205 19427 2670 1 6 . 1 1 51 51 LEU C C 51 178.254 178.254 178.051 0.203 19427 2671 1 6 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.710 0.419 19427 2672 1 6 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.626 -0.229 19427 2673 1 6 . 1 1 51 51 LEU H H 51 7.444 7.444 7.767 -0.323 19427 2674 1 6 . 1 1 52 52 ARG N N 52 117.366 117.366 116.720 0.646 19427 2675 1 6 . 1 1 52 52 ARG HA H 52 3.910 3.910 4.018 -0.108 19427 2676 1 6 . 1 1 52 52 ARG C C 52 178.886 178.886 178.285 0.601 19427 2677 1 6 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.183 1.102 19427 2678 1 6 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.983 -0.165 19427 2679 1 6 . 1 1 52 52 ARG H H 52 7.757 7.757 7.421 0.336 19427 2680 1 6 . 1 1 53 53 THR N N 53 118.266 118.266 116.309 1.957 19427 2681 1 6 . 1 1 53 53 THR HA H 53 3.924 3.924 4.040 -0.116 19427 2682 1 6 . 1 1 53 53 THR C C 53 176.626 176.626 175.804 0.822 19427 2683 1 6 . 1 1 53 53 THR CA C 53 67.001 67.001 65.959 1.042 19427 2684 1 6 . 1 1 53 53 THR CB C 53 68.759 68.759 68.637 0.122 19427 2685 1 6 . 1 1 53 53 THR H H 53 7.973 7.973 7.601 0.372 19427 2686 1 6 . 1 1 54 54 LEU N N 54 122.030 122.030 121.241 0.789 19427 2687 1 6 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.472 0.337 19427 2688 1 6 . 1 1 54 54 LEU C C 54 177.755 177.755 177.614 0.141 19427 2689 1 6 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.294 0.529 19427 2690 1 6 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.814 2.275 19427 2691 1 6 . 1 1 54 54 LEU H H 54 8.355 8.355 7.294 1.061 19427 2692 1 6 . 1 1 55 55 ALA N N 55 122.634 122.634 121.370 1.264 19427 2693 1 6 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.957 -0.065 19427 2694 1 6 . 1 1 55 55 ALA C C 55 179.192 179.192 179.432 -0.240 19427 2695 1 6 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.423 1.082 19427 2696 1 6 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.782 -0.618 19427 2697 1 6 . 1 1 55 55 ALA H H 55 8.195 8.195 7.508 0.687 19427 2698 1 6 . 1 1 56 56 VAL N N 56 118.079 118.079 118.000 0.079 19427 2699 1 6 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.696 0.165 19427 2700 1 6 . 1 1 56 56 VAL C C 56 180.389 180.389 178.607 1.782 19427 2701 1 6 . 1 1 56 56 VAL CA C 56 66.587 66.587 66.063 0.524 19427 2702 1 6 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.210 0.483 19427 2703 1 6 . 1 1 56 56 VAL H H 56 7.402 7.402 7.282 0.119 19427 2704 1 6 . 1 1 57 57 ILE N N 57 122.536 122.536 119.276 3.260 19427 2705 1 6 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.631 -0.026 19427 2706 1 6 . 1 1 57 57 ILE C C 57 177.942 177.942 177.190 0.752 19427 2707 1 6 . 1 1 57 57 ILE CA C 57 65.843 65.843 63.983 1.861 19427 2708 1 6 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.490 0.896 19427 2709 1 6 . 1 1 57 57 ILE H H 57 7.893 7.893 6.946 0.947 19427 2710 1 6 . 1 1 58 58 TYR N N 58 117.060 117.060 114.293 2.767 19427 2711 1 6 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.583 -0.452 19427 2712 1 6 . 1 1 58 58 TYR C C 58 174.728 174.728 175.352 -0.624 19427 2713 1 6 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.890 4.874 19427 2714 1 6 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.453 1.574 19427 2715 1 6 . 1 1 58 58 TYR H H 58 8.319 8.319 7.158 1.161 19427 2716 1 6 . 1 1 59 59 ASP N N 59 122.545 122.545 118.160 4.385 19427 2717 1 6 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.390 -0.040 19427 2718 1 6 . 1 1 59 59 ASP C C 59 174.853 174.853 175.685 -0.832 19427 2719 1 6 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.811 -0.698 19427 2720 1 6 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.850 -0.038 19427 2721 1 6 . 1 1 59 59 ASP H H 59 8.177 8.177 7.817 0.360 19427 2722 1 6 . 1 1 60 60 GLN N N 60 116.007 116.007 117.710 -1.703 19427 2723 1 6 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.709 0.021 19427 2724 1 6 . 1 1 60 60 GLN C C 60 174.853 174.853 174.387 0.466 19427 2725 1 6 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.630 -0.117 19427 2726 1 6 . 1 1 60 60 GLN CB C 60 34.384 34.384 31.561 2.823 19427 2727 1 6 . 1 1 60 60 GLN H H 60 8.424 8.424 8.165 0.259 19427 2728 1 6 . 1 1 61 61 SER N N 61 116.009 116.009 115.177 0.832 19427 2729 1 6 . 1 1 61 61 SER HA H 61 4.783 4.783 4.747 0.036 19427 2730 1 6 . 1 1 61 61 SER CA C 61 56.443 56.443 53.968 2.475 19427 2731 1 6 . 1 1 61 61 SER CB C 61 62.811 62.811 64.402 -1.591 19427 2732 1 6 . 1 1 61 61 SER H H 61 8.424 8.424 8.469 -0.045 19427 2733 1 6 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.196 -0.160 19427 2734 1 6 . 1 1 62 62 PRO C C 62 179.161 179.161 178.508 0.653 19427 2735 1 6 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.126 1.371 19427 2736 1 6 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.770 0.010 19427 2737 1 6 . 1 1 63 63 SER N N 63 114.103 114.103 114.949 -0.846 19427 2738 1 6 . 1 1 63 63 SER HA H 63 4.838 4.838 4.143 0.695 19427 2739 1 6 . 1 1 63 63 SER C C 63 176.141 176.141 176.786 -0.645 19427 2740 1 6 . 1 1 63 63 SER CB C 63 62.293 62.293 62.667 -0.374 19427 2741 1 6 . 1 1 63 63 SER H H 63 8.596 8.596 8.177 0.419 19427 2742 1 6 . 1 1 64 64 VAL N N 64 125.461 125.461 117.342 8.119 19427 2743 1 6 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.904 -0.343 19427 2744 1 6 . 1 1 64 64 VAL C C 64 178.754 178.754 177.485 1.269 19427 2745 1 6 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.848 1.584 19427 2746 1 6 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.345 0.672 19427 2747 1 6 . 1 1 64 64 VAL H H 64 7.381 7.381 7.377 0.004 19427 2748 1 6 . 1 1 65 65 LEU N N 65 121.843 121.843 122.922 -1.079 19427 2749 1 6 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.061 -0.162 19427 2750 1 6 . 1 1 65 65 LEU C C 65 178.836 178.836 178.607 0.229 19427 2751 1 6 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.428 -1.116 19427 2752 1 6 . 1 1 65 65 LEU CB C 65 41.255 41.255 41.065 0.190 19427 2753 1 6 . 1 1 65 65 LEU H H 65 8.437 8.437 8.382 0.055 19427 2754 1 6 . 1 1 66 66 THR N N 66 115.794 115.794 115.075 0.719 19427 2755 1 6 . 1 1 66 66 THR HA H 66 3.321 3.321 3.875 -0.554 19427 2756 1 6 . 1 1 66 66 THR C C 66 175.591 175.591 176.773 -1.182 19427 2757 1 6 . 1 1 66 66 THR CA C 66 69.056 69.056 67.213 1.843 19427 2758 1 6 . 1 1 66 66 THR CB C 66 67.992 67.992 68.118 -0.126 19427 2759 1 6 . 1 1 66 66 THR H H 66 8.079 8.079 8.322 -0.243 19427 2760 1 6 . 1 1 67 67 GLU N N 67 118.543 118.543 121.837 -3.294 19427 2761 1 6 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.886 -0.045 19427 2762 1 6 . 1 1 67 67 GLU C C 67 179.342 179.342 178.907 0.435 19427 2763 1 6 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.507 -0.282 19427 2764 1 6 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.043 -0.122 19427 2765 1 6 . 1 1 67 67 GLU H H 67 7.594 7.594 7.546 0.048 19427 2766 1 6 . 1 1 68 68 GLN N N 68 120.882 120.882 118.956 1.926 19427 2767 1 6 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.655 0.045 19427 2768 1 6 . 1 1 68 68 GLN C C 68 177.403 177.403 178.004 -0.601 19427 2769 1 6 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.129 0.265 19427 2770 1 6 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.018 0.356 19427 2771 1 6 . 1 1 68 68 GLN H H 68 7.847 7.847 8.009 -0.162 19427 2772 1 6 . 1 1 69 69 LEU N N 69 118.421 118.421 119.583 -1.162 19427 2773 1 6 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.601 -0.128 19427 2774 1 6 . 1 1 69 69 LEU C C 69 180.177 180.177 179.550 0.627 19427 2775 1 6 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.523 0.890 19427 2776 1 6 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.089 -0.118 19427 2777 1 6 . 1 1 69 69 LEU H H 69 7.986 7.986 7.656 0.330 19427 2778 1 6 . 1 1 70 70 ILE N N 70 121.346 121.346 119.116 2.230 19427 2779 1 6 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.943 0.217 19427 2780 1 6 . 1 1 70 70 ILE C C 70 180.910 180.910 178.322 2.588 19427 2781 1 6 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.579 0.471 19427 2782 1 6 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.906 0.439 19427 2783 1 6 . 1 1 70 70 ILE H H 70 8.262 8.262 7.989 0.273 19427 2784 1 6 . 1 1 71 71 SER N N 71 120.236 120.236 115.194 5.042 19427 2785 1 6 . 1 1 71 71 SER HA H 71 4.273 4.273 4.226 0.047 19427 2786 1 6 . 1 1 71 71 SER C C 71 177.045 177.045 175.766 1.279 19427 2787 1 6 . 1 1 71 71 SER CA C 71 62.544 62.544 61.470 1.074 19427 2788 1 6 . 1 1 71 71 SER CB C 71 62.839 62.839 62.996 -0.157 19427 2789 1 6 . 1 1 71 71 SER H H 71 8.388 8.388 7.460 0.928 19427 2790 1 6 . 1 1 72 72 TRP N N 72 119.364 119.364 119.921 -0.557 19427 2791 1 6 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.750 0.176 19427 2792 1 6 . 1 1 72 72 TRP C C 72 176.839 176.839 177.051 -0.212 19427 2793 1 6 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.020 -1.256 19427 2794 1 6 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.832 2.432 19427 2795 1 6 . 1 1 72 72 TRP H H 72 8.066 8.066 7.749 0.317 19427 2796 1 6 . 1 1 73 73 GLY N N 73 106.514 106.514 105.461 1.053 19427 2797 1 6 . 1 1 73 73 GLY C C 73 174.697 174.697 175.062 -0.365 19427 2798 1 6 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.014 -0.611 19427 2799 1 6 . 1 1 73 73 GLY H H 73 8.242 8.242 7.511 0.731 19427 2800 1 6 . 1 1 74 74 VAL N N 74 114.793 114.793 118.457 -3.664 19427 2801 1 6 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.087 0.110 19427 2802 1 6 . 1 1 74 74 VAL C C 74 174.015 174.015 174.886 -0.871 19427 2803 1 6 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.529 -1.416 19427 2804 1 6 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.686 0.163 19427 2805 1 6 . 1 1 74 74 VAL H H 74 7.834 7.834 7.879 -0.045 19427 2806 1 6 . 1 1 75 75 LEU N N 75 118.357 118.357 120.275 -1.918 19427 2807 1 6 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.089 -0.178 19427 2808 1 6 . 1 1 75 75 LEU C C 75 175.022 175.022 174.985 0.037 19427 2809 1 6 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.670 -0.038 19427 2810 1 6 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.716 1.442 19427 2811 1 6 . 1 1 75 75 LEU H H 75 6.898 6.898 7.590 -0.692 19427 2812 1 6 . 1 1 76 76 ASP N N 76 122.400 122.400 126.403 -4.003 19427 2813 1 6 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.538 0.065 19427 2814 1 6 . 1 1 76 76 ASP C C 76 176.384 176.384 177.225 -0.841 19427 2815 1 6 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.456 -0.073 19427 2816 1 6 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.268 -0.041 19427 2817 1 6 . 1 1 76 76 ASP H H 76 8.412 8.412 7.916 0.496 19427 2818 1 6 . 1 1 77 77 ALA N N 77 123.828 123.828 129.967 -6.139 19427 2819 1 6 . 1 1 77 77 ALA HA H 77 4.054 4.054 3.919 0.135 19427 2820 1 6 . 1 1 77 77 ALA C C 77 179.068 179.068 179.074 -0.006 19427 2821 1 6 . 1 1 77 77 ALA CA C 77 54.731 54.731 55.003 -0.272 19427 2822 1 6 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.767 -0.018 19427 2823 1 6 . 1 1 77 77 ALA H H 77 8.601 8.601 8.710 -0.109 19427 2824 1 6 . 1 1 78 78 ASP N N 78 118.882 118.882 118.962 -0.080 19427 2825 1 6 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.330 0.183 19427 2826 1 6 . 1 1 78 78 ASP C C 78 174.868 174.868 177.783 -2.915 19427 2827 1 6 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.397 -0.119 19427 2828 1 6 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.599 0.309 19427 2829 1 6 . 1 1 78 78 ASP H H 78 8.791 8.791 7.982 0.809 19427 2830 1 6 . 1 1 79 79 ALA N N 79 121.027 121.027 122.656 -1.629 19427 2831 1 6 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.927 0.074 19427 2832 1 6 . 1 1 79 79 ALA C C 79 178.803 178.803 179.063 -0.260 19427 2833 1 6 . 1 1 79 79 ALA CA C 79 54.391 54.391 55.035 -0.644 19427 2834 1 6 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.477 1.443 19427 2835 1 6 . 1 1 79 79 ALA H H 79 8.287 8.287 7.904 0.383 19427 2836 1 6 . 1 1 80 80 ARG N N 80 115.805 115.805 116.552 -0.747 19427 2837 1 6 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.026 -0.102 19427 2838 1 6 . 1 1 80 80 ARG C C 80 178.254 178.254 177.887 0.367 19427 2839 1 6 . 1 1 80 80 ARG CA C 80 59.229 59.229 59.106 0.123 19427 2840 1 6 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.862 0.395 19427 2841 1 6 . 1 1 80 80 ARG H H 80 7.689 7.689 8.304 -0.615 19427 2842 1 6 . 1 1 81 81 ARG N N 81 117.554 117.554 120.425 -2.871 19427 2843 1 6 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.171 0.035 19427 2844 1 6 . 1 1 81 81 ARG C C 81 177.214 177.214 177.802 -0.588 19427 2845 1 6 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.044 -0.350 19427 2846 1 6 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.780 0.462 19427 2847 1 6 . 1 1 81 81 ARG H H 81 7.782 7.782 7.823 -0.041 19427 2848 1 6 . 1 1 82 82 ALA N N 82 121.590 121.590 121.026 0.564 19427 2849 1 6 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.087 0.192 19427 2850 1 6 . 1 1 82 82 ALA C C 82 177.798 177.798 179.123 -1.325 19427 2851 1 6 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.583 -1.328 19427 2852 1 6 . 1 1 82 82 ALA CB C 82 19.563 19.563 18.914 0.649 19427 2853 1 6 . 1 1 82 82 ALA H H 82 7.875 7.875 7.591 0.284 19427 2854 1 6 . 1 1 83 83 VAL N N 83 114.483 114.483 116.617 -2.134 19427 2855 1 6 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.846 0.295 19427 2856 1 6 . 1 1 83 83 VAL C C 83 175.572 175.572 175.407 0.165 19427 2857 1 6 . 1 1 83 83 VAL CA C 83 62.041 62.041 63.951 -1.910 19427 2858 1 6 . 1 1 83 83 VAL CB C 83 32.781 32.781 31.804 0.977 19427 2859 1 6 . 1 1 83 83 VAL H H 83 7.503 7.503 8.083 -0.580 19427 2860 1 6 . 1 1 84 84 ALA N N 84 125.870 125.870 120.343 5.527 19427 2861 1 6 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.052 0.269 19427 2862 1 6 . 1 1 84 84 ALA C C 84 177.696 177.696 176.742 0.954 19427 2863 1 6 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.863 -0.092 19427 2864 1 6 . 1 1 84 84 ALA CB C 84 19.512 19.512 16.823 2.689 19427 2865 1 6 . 1 1 84 84 ALA H H 84 7.876 7.876 7.386 0.490 19427 2866 1 6 . 1 1 85 85 SER N N 85 114.965 114.965 115.613 -0.648 19427 2867 1 6 . 1 1 85 85 SER HA H 85 4.396 4.396 4.678 -0.281 19427 2868 1 6 . 1 1 85 85 SER CA C 85 58.393 58.393 57.897 0.496 19427 2869 1 6 . 1 1 85 85 SER CB C 85 63.915 63.915 65.728 -1.813 19427 2870 1 6 . 1 1 85 85 SER H H 85 8.521 8.521 7.968 0.553 19427 2871 1 6 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.945 -0.279 19427 2872 1 6 . 1 1 86 86 HIS C C 86 174.868 174.868 173.603 1.265 19427 2873 1 6 . 1 1 86 86 HIS CA C 86 56.321 56.321 55.817 0.504 19427 2874 1 6 . 1 1 86 86 HIS CB C 86 30.312 30.312 31.470 -1.158 19427 2875 1 6 . 1 1 87 87 ASP N N 87 121.205 121.205 123.028 -1.823 19427 2876 1 6 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.468 0.135 19427 2877 1 6 . 1 1 87 87 ASP C C 87 175.917 175.917 177.120 -1.203 19427 2878 1 6 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.240 0.337 19427 2879 1 6 . 1 1 87 87 ASP CB C 87 41.256 41.256 41.437 -0.181 19427 2880 1 6 . 1 1 87 87 ASP H H 87 8.326 8.326 8.791 -0.465 19427 2881 1 6 . 1 1 88 88 GLU N N 88 121.167 121.167 117.997 3.170 19427 2882 1 6 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.128 0.189 19427 2883 1 6 . 1 1 88 88 GLU C C 88 175.455 175.455 174.836 0.619 19427 2884 1 6 . 1 1 88 88 GLU CA C 88 56.372 56.372 58.070 -1.698 19427 2885 1 6 . 1 1 88 88 GLU CB C 88 30.373 30.373 29.115 1.258 19427 2886 1 6 . 1 1 88 88 GLU H H 88 8.352 8.352 8.769 -0.417 19427 2887 1 7 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.329 0.072 19427 2888 1 7 . 1 1 5 5 PRO C C 5 176.334 176.334 176.180 0.154 19427 2889 1 7 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.302 -0.519 19427 2890 1 7 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.084 0.270 19427 2891 1 7 . 1 1 6 6 LYS N N 6 121.980 121.980 124.555 -2.575 19427 2892 1 7 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.352 0.022 19427 2893 1 7 . 1 1 6 6 LYS C C 6 175.715 175.715 176.339 -0.624 19427 2894 1 7 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.823 0.349 19427 2895 1 7 . 1 1 6 6 LYS CB C 6 33.270 33.270 32.509 0.761 19427 2896 1 7 . 1 1 6 6 LYS H H 6 8.546 8.546 8.270 0.276 19427 2897 1 7 . 1 1 7 7 LEU N N 7 125.018 125.018 127.799 -2.781 19427 2898 1 7 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.428 0.095 19427 2899 1 7 . 1 1 7 7 LEU C C 7 174.994 174.994 175.495 -0.501 19427 2900 1 7 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.184 -0.134 19427 2901 1 7 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.493 1.678 19427 2902 1 7 . 1 1 7 7 LEU H H 7 8.620 8.620 8.149 0.471 19427 2903 1 7 . 1 1 8 8 VAL N N 8 121.522 121.522 121.631 -0.109 19427 2904 1 7 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.756 -0.209 19427 2905 1 7 . 1 1 8 8 VAL C C 8 175.042 175.042 175.465 -0.423 19427 2906 1 7 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.253 0.953 19427 2907 1 7 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.798 2.798 19427 2908 1 7 . 1 1 8 8 VAL H H 8 8.084 8.084 8.009 0.075 19427 2909 1 7 . 1 1 9 9 LEU N N 9 126.312 126.312 123.773 2.539 19427 2910 1 7 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.186 -0.246 19427 2911 1 7 . 1 1 9 9 LEU C C 9 175.831 175.831 175.852 -0.021 19427 2912 1 7 . 1 1 9 9 LEU CA C 9 53.546 53.546 52.819 0.727 19427 2913 1 7 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.376 0.857 19427 2914 1 7 . 1 1 9 9 LEU H H 9 9.137 9.137 9.038 0.099 19427 2915 1 7 . 1 1 10 10 ASP N N 10 123.236 123.236 123.774 -0.538 19427 2916 1 7 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.858 -0.010 19427 2917 1 7 . 1 1 10 10 ASP C C 10 176.685 176.685 176.842 -0.157 19427 2918 1 7 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.621 -1.028 19427 2919 1 7 . 1 1 10 10 ASP CB C 10 40.820 40.820 42.557 -1.737 19427 2920 1 7 . 1 1 10 10 ASP H H 10 9.002 9.002 8.768 0.234 19427 2921 1 7 . 1 1 11 11 LEU N N 11 124.059 124.059 126.345 -2.286 19427 2922 1 7 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.184 -0.118 19427 2923 1 7 . 1 1 11 11 LEU C C 11 180.169 180.169 178.703 1.466 19427 2924 1 7 . 1 1 11 11 LEU CA C 11 57.013 57.013 56.729 0.284 19427 2925 1 7 . 1 1 11 11 LEU CB C 11 40.850 40.850 41.965 -1.115 19427 2926 1 7 . 1 1 11 11 LEU H H 11 8.273 8.273 8.625 -0.352 19427 2927 1 7 . 1 1 12 12 GLU N N 12 121.967 121.967 119.544 2.423 19427 2928 1 7 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.087 0.087 19427 2929 1 7 . 1 1 12 12 GLU C C 12 179.719 179.719 178.797 0.922 19427 2930 1 7 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.038 0.591 19427 2931 1 7 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.717 -0.157 19427 2932 1 7 . 1 1 12 12 GLU H H 12 8.273 8.273 8.162 0.111 19427 2933 1 7 . 1 1 13 13 ARG N N 13 119.595 119.595 119.398 0.197 19427 2934 1 7 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.178 -0.006 19427 2935 1 7 . 1 1 13 13 ARG C C 13 179.909 179.909 178.956 0.953 19427 2936 1 7 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.366 -0.055 19427 2937 1 7 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.940 -0.385 19427 2938 1 7 . 1 1 13 13 ARG H H 13 8.081 8.081 9.045 -0.964 19427 2939 1 7 . 1 1 14 14 LEU N N 14 120.325 120.325 119.903 0.422 19427 2940 1 7 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.161 -0.214 19427 2941 1 7 . 1 1 14 14 LEU C C 14 177.166 177.166 178.641 -1.475 19427 2942 1 7 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.554 0.020 19427 2943 1 7 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.566 0.232 19427 2944 1 7 . 1 1 14 14 LEU H H 14 8.205 8.205 8.169 0.036 19427 2945 1 7 . 1 1 15 15 ALA N N 15 117.835 117.835 118.906 -1.071 19427 2946 1 7 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.183 -0.058 19427 2947 1 7 . 1 1 15 15 ALA C C 15 178.500 178.500 178.195 0.305 19427 2948 1 7 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.290 0.030 19427 2949 1 7 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.636 0.076 19427 2950 1 7 . 1 1 15 15 ALA H H 15 7.265 7.265 7.411 -0.146 19427 2951 1 7 . 1 1 16 16 THR N N 16 105.967 105.967 109.887 -3.920 19427 2952 1 7 . 1 1 16 16 THR HA H 16 4.378 4.378 4.256 0.122 19427 2953 1 7 . 1 1 16 16 THR C C 16 174.639 174.639 174.709 -0.070 19427 2954 1 7 . 1 1 16 16 THR CA C 16 61.642 61.642 62.408 -0.766 19427 2955 1 7 . 1 1 16 16 THR CB C 16 69.957 69.957 69.165 0.792 19427 2956 1 7 . 1 1 16 16 THR H H 16 7.530 7.530 7.488 0.042 19427 2957 1 7 . 1 1 17 17 VAL N N 17 126.962 126.962 125.374 1.588 19427 2958 1 7 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.100 -0.115 19427 2959 1 7 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.511 1.024 19427 2960 1 7 . 1 1 17 17 VAL CB C 17 32.388 32.388 30.925 1.463 19427 2961 1 7 . 1 1 17 17 VAL H H 17 7.208 7.208 7.187 0.021 19427 2962 1 7 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.309 -0.041 19427 2963 1 7 . 1 1 18 18 PRO C C 18 178.094 178.094 177.378 0.716 19427 2964 1 7 . 1 1 18 18 PRO CA C 18 63.848 63.848 62.919 0.929 19427 2965 1 7 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.373 0.338 19427 2966 1 7 . 1 1 19 19 ALA N N 19 128.383 128.383 127.704 0.679 19427 2967 1 7 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.020 -0.076 19427 2968 1 7 . 1 1 19 19 ALA C C 19 180.008 180.008 179.711 0.297 19427 2969 1 7 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.543 0.774 19427 2970 1 7 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.384 0.530 19427 2971 1 7 . 1 1 19 19 ALA H H 19 8.872 8.872 8.606 0.266 19427 2972 1 7 . 1 1 20 20 GLU N N 20 118.522 118.522 118.132 0.390 19427 2973 1 7 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.049 0.065 19427 2974 1 7 . 1 1 20 20 GLU C C 20 177.573 177.573 177.681 -0.108 19427 2975 1 7 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.781 0.855 19427 2976 1 7 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.061 -0.223 19427 2977 1 7 . 1 1 20 20 GLU H H 20 9.459 9.459 8.787 0.672 19427 2978 1 7 . 1 1 21 21 LYS N N 21 115.147 115.147 115.989 -0.842 19427 2979 1 7 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.343 0.309 19427 2980 1 7 . 1 1 21 21 LYS C C 21 177.045 177.045 177.072 -0.027 19427 2981 1 7 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.818 0.169 19427 2982 1 7 . 1 1 21 21 LYS CB C 21 33.952 33.952 34.127 -0.175 19427 2983 1 7 . 1 1 21 21 LYS H H 21 7.441 7.441 7.674 -0.233 19427 2984 1 7 . 1 1 22 22 ALA N N 22 119.898 119.898 120.976 -1.078 19427 2985 1 7 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.467 -0.323 19427 2986 1 7 . 1 1 22 22 ALA C C 22 177.520 177.520 178.869 -1.349 19427 2987 1 7 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.388 0.793 19427 2988 1 7 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.630 1.601 19427 2989 1 7 . 1 1 22 22 ALA H H 22 8.096 8.096 8.220 -0.124 19427 2990 1 7 . 1 1 23 23 GLY N N 23 107.148 107.148 109.114 -1.966 19427 2991 1 7 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.860 1.152 19427 2992 1 7 . 1 1 23 23 GLY H H 23 8.484 8.484 8.073 0.411 19427 2993 1 7 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.440 -0.266 19427 2994 1 7 . 1 1 24 24 PRO C C 24 179.318 179.318 178.092 1.226 19427 2995 1 7 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.052 0.901 19427 2996 1 7 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.385 -0.014 19427 2997 1 7 . 1 1 25 25 LEU N N 25 118.416 118.416 121.102 -2.686 19427 2998 1 7 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.605 -0.249 19427 2999 1 7 . 1 1 25 25 LEU C C 25 177.871 177.871 178.928 -1.057 19427 3000 1 7 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.117 0.818 19427 3001 1 7 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.613 0.737 19427 3002 1 7 . 1 1 25 25 LEU H H 25 7.394 7.394 7.718 -0.324 19427 3003 1 7 . 1 1 26 26 GLN N N 26 119.819 119.819 118.204 1.615 19427 3004 1 7 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.033 -0.139 19427 3005 1 7 . 1 1 26 26 GLN C C 26 179.865 179.865 178.992 0.873 19427 3006 1 7 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.142 0.630 19427 3007 1 7 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.084 -0.530 19427 3008 1 7 . 1 1 26 26 GLN H H 26 8.885 8.885 8.668 0.217 19427 3009 1 7 . 1 1 27 27 ARG N N 27 119.761 119.761 120.354 -0.593 19427 3010 1 7 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.080 0.061 19427 3011 1 7 . 1 1 27 27 ARG C C 27 178.950 178.950 178.771 0.179 19427 3012 1 7 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.657 -0.021 19427 3013 1 7 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.169 0.247 19427 3014 1 7 . 1 1 27 27 ARG H H 27 8.694 8.694 7.738 0.956 19427 3015 1 7 . 1 1 28 28 TYR N N 28 122.540 122.540 121.539 1.001 19427 3016 1 7 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.092 0.079 19427 3017 1 7 . 1 1 28 28 TYR C C 28 177.843 177.843 177.178 0.665 19427 3018 1 7 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.700 0.577 19427 3019 1 7 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.454 1.259 19427 3020 1 7 . 1 1 28 28 TYR H H 28 8.211 8.211 8.201 0.010 19427 3021 1 7 . 1 1 29 29 ALA N N 29 120.477 120.477 120.981 -0.504 19427 3022 1 7 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.943 -0.181 19427 3023 1 7 . 1 1 29 29 ALA C C 29 178.739 178.739 179.351 -0.612 19427 3024 1 7 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.326 -0.141 19427 3025 1 7 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.983 -0.054 19427 3026 1 7 . 1 1 29 29 ALA H H 29 9.065 9.065 8.779 0.286 19427 3027 1 7 . 1 1 30 30 ALA N N 30 118.596 118.596 121.045 -2.449 19427 3028 1 7 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.378 -0.091 19427 3029 1 7 . 1 1 30 30 ALA C C 30 180.895 180.895 180.133 0.762 19427 3030 1 7 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.692 0.384 19427 3031 1 7 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.438 -0.352 19427 3032 1 7 . 1 1 30 30 ALA H H 30 7.741 7.741 8.304 -0.563 19427 3033 1 7 . 1 1 31 31 THR N N 31 116.024 116.024 118.041 -2.017 19427 3034 1 7 . 1 1 31 31 THR HA H 31 3.995 3.995 4.070 -0.075 19427 3035 1 7 . 1 1 31 31 THR C C 31 176.687 176.687 176.512 0.175 19427 3036 1 7 . 1 1 31 31 THR CA C 31 66.452 66.452 66.574 -0.122 19427 3037 1 7 . 1 1 31 31 THR CB C 31 68.867 68.867 68.857 0.010 19427 3038 1 7 . 1 1 31 31 THR H H 31 7.914 7.914 8.173 -0.259 19427 3039 1 7 . 1 1 32 32 ILE N N 32 121.094 121.094 121.552 -0.458 19427 3040 1 7 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.565 0.250 19427 3041 1 7 . 1 1 32 32 ILE C C 32 178.583 178.583 177.970 0.613 19427 3042 1 7 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.300 0.853 19427 3043 1 7 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.099 0.841 19427 3044 1 7 . 1 1 32 32 ILE H H 32 7.846 7.846 8.251 -0.405 19427 3045 1 7 . 1 1 33 33 GLN N N 33 119.832 119.832 118.940 0.892 19427 3046 1 7 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.954 -0.115 19427 3047 1 7 . 1 1 33 33 GLN C C 33 178.264 178.264 178.926 -0.662 19427 3048 1 7 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.575 0.283 19427 3049 1 7 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.620 0.744 19427 3050 1 7 . 1 1 33 33 GLN H H 33 8.374 8.374 8.481 -0.107 19427 3051 1 7 . 1 1 34 34 SER N N 34 112.726 112.726 114.929 -2.203 19427 3052 1 7 . 1 1 34 34 SER HA H 34 4.333 4.333 4.212 0.121 19427 3053 1 7 . 1 1 34 34 SER C C 34 176.817 176.817 176.597 0.220 19427 3054 1 7 . 1 1 34 34 SER CA C 34 60.915 60.915 61.555 -0.640 19427 3055 1 7 . 1 1 34 34 SER CB C 34 63.235 63.235 62.885 0.350 19427 3056 1 7 . 1 1 34 34 SER H H 34 7.816 7.816 8.226 -0.410 19427 3057 1 7 . 1 1 35 35 GLN N N 35 120.724 120.724 121.318 -0.594 19427 3058 1 7 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.143 0.051 19427 3059 1 7 . 1 1 35 35 GLN C C 35 177.930 177.930 178.189 -0.259 19427 3060 1 7 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.971 0.138 19427 3061 1 7 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.654 0.534 19427 3062 1 7 . 1 1 35 35 GLN H H 35 8.034 8.034 8.154 -0.120 19427 3063 1 7 . 1 1 36 36 ARG N N 36 116.267 116.267 117.029 -0.762 19427 3064 1 7 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.279 0.119 19427 3065 1 7 . 1 1 36 36 ARG C C 36 177.013 177.013 177.261 -0.248 19427 3066 1 7 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.426 -0.002 19427 3067 1 7 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.872 0.546 19427 3068 1 7 . 1 1 36 36 ARG H H 36 8.091 8.091 8.170 -0.079 19427 3069 1 7 . 1 1 37 37 GLY N N 37 109.299 109.299 108.653 0.646 19427 3070 1 7 . 1 1 37 37 GLY C C 37 173.661 173.661 173.814 -0.153 19427 3071 1 7 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.140 1.130 19427 3072 1 7 . 1 1 37 37 GLY H H 37 7.972 7.972 7.935 0.037 19427 3073 1 7 . 1 1 38 38 ASP N N 38 119.246 119.246 120.878 -1.632 19427 3074 1 7 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.743 -0.028 19427 3075 1 7 . 1 1 38 38 ASP C C 38 175.405 175.405 175.372 0.033 19427 3076 1 7 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.061 0.110 19427 3077 1 7 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.502 -0.862 19427 3078 1 7 . 1 1 38 38 ASP H H 38 7.838 7.838 8.246 -0.408 19427 3079 1 7 . 1 1 39 39 TYR N N 39 121.210 121.210 125.694 -4.484 19427 3080 1 7 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.565 -0.038 19427 3081 1 7 . 1 1 39 39 TYR C C 39 176.937 176.937 174.930 2.007 19427 3082 1 7 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.143 0.985 19427 3083 1 7 . 1 1 39 39 TYR CB C 39 38.588 38.588 39.537 -0.949 19427 3084 1 7 . 1 1 39 39 TYR H H 39 8.202 8.202 8.541 -0.339 19427 3085 1 7 . 1 1 40 40 ASN N N 40 120.622 120.622 120.737 -0.115 19427 3086 1 7 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.543 0.076 19427 3087 1 7 . 1 1 40 40 ASN C C 40 175.853 175.853 175.624 0.229 19427 3088 1 7 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.148 1.235 19427 3089 1 7 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.337 1.169 19427 3090 1 7 . 1 1 40 40 ASN H H 40 8.393 8.393 8.370 0.023 19427 3091 1 7 . 1 1 41 41 GLY N N 41 107.971 107.971 111.824 -3.853 19427 3092 1 7 . 1 1 41 41 GLY C C 41 173.926 173.926 173.446 0.480 19427 3093 1 7 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.697 1.233 19427 3094 1 7 . 1 1 41 41 GLY H H 41 8.103 8.103 8.039 0.064 19427 3095 1 7 . 1 1 42 42 LYS N N 42 119.472 119.472 120.289 -0.817 19427 3096 1 7 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.436 0.053 19427 3097 1 7 . 1 1 42 42 LYS C C 42 176.201 176.201 175.359 0.842 19427 3098 1 7 . 1 1 42 42 LYS CA C 42 57.709 57.709 56.854 0.855 19427 3099 1 7 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.677 -0.332 19427 3100 1 7 . 1 1 42 42 LYS H H 42 8.652 8.652 8.309 0.343 19427 3101 1 7 . 1 1 43 43 VAL N N 43 112.852 112.852 112.905 -0.053 19427 3102 1 7 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.019 0.311 19427 3103 1 7 . 1 1 43 43 VAL C C 43 174.906 174.906 174.314 0.592 19427 3104 1 7 . 1 1 43 43 VAL CA C 43 59.264 59.264 60.142 -0.878 19427 3105 1 7 . 1 1 43 43 VAL CB C 43 35.953 35.953 34.602 1.351 19427 3106 1 7 . 1 1 43 43 VAL H H 43 7.840 7.840 7.692 0.148 19427 3107 1 7 . 1 1 44 44 LEU N N 44 123.642 123.642 127.001 -3.359 19427 3108 1 7 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.784 0.005 19427 3109 1 7 . 1 1 44 44 LEU C C 44 175.260 175.260 175.187 0.073 19427 3110 1 7 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.767 0.110 19427 3111 1 7 . 1 1 44 44 LEU CB C 44 47.498 47.498 44.983 2.515 19427 3112 1 7 . 1 1 44 44 LEU H H 44 8.610 8.610 9.176 -0.566 19427 3113 1 7 . 1 1 45 45 SER N N 45 124.267 124.267 123.903 0.364 19427 3114 1 7 . 1 1 45 45 SER HA H 45 5.052 5.052 5.336 -0.284 19427 3115 1 7 . 1 1 45 45 SER C C 45 174.246 174.246 174.041 0.205 19427 3116 1 7 . 1 1 45 45 SER CA C 45 58.852 58.852 56.254 2.598 19427 3117 1 7 . 1 1 45 45 SER CB C 45 63.509 63.509 63.282 0.227 19427 3118 1 7 . 1 1 45 45 SER H H 45 9.111 9.111 8.865 0.246 19427 3119 1 7 . 1 1 46 46 ILE N N 46 118.924 118.924 124.323 -5.399 19427 3120 1 7 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.754 0.026 19427 3121 1 7 . 1 1 46 46 ILE C C 46 174.199 174.199 174.269 -0.070 19427 3122 1 7 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.640 0.962 19427 3123 1 7 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.744 0.851 19427 3124 1 7 . 1 1 46 46 ILE H H 46 8.542 8.542 9.176 -0.634 19427 3125 1 7 . 1 1 47 47 ARG N N 47 119.572 119.572 120.881 -1.309 19427 3126 1 7 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.632 0.233 19427 3127 1 7 . 1 1 47 47 ARG C C 47 178.511 178.511 178.040 0.471 19427 3128 1 7 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.315 0.193 19427 3129 1 7 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.694 1.624 19427 3130 1 7 . 1 1 47 47 ARG H H 47 9.488 9.488 9.022 0.466 19427 3131 1 7 . 1 1 48 48 GLN N N 48 122.809 122.809 120.925 1.884 19427 3132 1 7 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.014 -0.196 19427 3133 1 7 . 1 1 48 48 GLN C C 48 178.972 178.972 176.907 2.065 19427 3134 1 7 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.406 1.121 19427 3135 1 7 . 1 1 48 48 GLN CB C 48 28.284 28.284 27.873 0.411 19427 3136 1 7 . 1 1 48 48 GLN H H 48 9.350 9.350 8.855 0.495 19427 3137 1 7 . 1 1 49 49 ASP N N 49 115.682 115.682 120.728 -5.046 19427 3138 1 7 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.419 -0.059 19427 3139 1 7 . 1 1 49 49 ASP C C 49 178.758 178.758 178.300 0.458 19427 3140 1 7 . 1 1 49 49 ASP CA C 49 57.357 57.357 58.018 -0.661 19427 3141 1 7 . 1 1 49 49 ASP CB C 49 40.483 40.483 39.940 0.543 19427 3142 1 7 . 1 1 49 49 ASP H H 49 8.855 8.855 8.871 -0.016 19427 3143 1 7 . 1 1 50 50 ASP N N 50 117.926 117.926 120.775 -2.849 19427 3144 1 7 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.565 0.047 19427 3145 1 7 . 1 1 50 50 ASP C C 50 177.865 177.865 178.557 -0.692 19427 3146 1 7 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.218 0.857 19427 3147 1 7 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.230 0.409 19427 3148 1 7 . 1 1 50 50 ASP H H 50 7.519 7.519 7.369 0.150 19427 3149 1 7 . 1 1 51 51 LEU N N 51 118.893 118.893 121.480 -2.587 19427 3150 1 7 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.910 0.002 19427 3151 1 7 . 1 1 51 51 LEU C C 51 178.254 178.254 178.182 0.072 19427 3152 1 7 . 1 1 51 51 LEU CA C 51 58.129 58.129 58.297 -0.168 19427 3153 1 7 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.910 -0.513 19427 3154 1 7 . 1 1 51 51 LEU H H 51 7.444 7.444 8.304 -0.860 19427 3155 1 7 . 1 1 52 52 ARG N N 52 117.366 117.366 116.917 0.449 19427 3156 1 7 . 1 1 52 52 ARG HA H 52 3.910 3.910 4.035 -0.124 19427 3157 1 7 . 1 1 52 52 ARG C C 52 178.886 178.886 178.628 0.258 19427 3158 1 7 . 1 1 52 52 ARG CA C 52 60.285 60.285 58.544 1.741 19427 3159 1 7 . 1 1 52 52 ARG CB C 52 29.818 29.818 28.807 1.011 19427 3160 1 7 . 1 1 52 52 ARG H H 52 7.757 7.757 8.510 -0.753 19427 3161 1 7 . 1 1 53 53 THR N N 53 118.266 118.266 118.035 0.231 19427 3162 1 7 . 1 1 53 53 THR HA H 53 3.924 3.924 3.991 -0.067 19427 3163 1 7 . 1 1 53 53 THR C C 53 176.626 176.626 176.401 0.225 19427 3164 1 7 . 1 1 53 53 THR CA C 53 67.001 67.001 66.352 0.649 19427 3165 1 7 . 1 1 53 53 THR CB C 53 68.759 68.759 68.652 0.107 19427 3166 1 7 . 1 1 53 53 THR H H 53 7.973 7.973 7.439 0.534 19427 3167 1 7 . 1 1 54 54 LEU N N 54 122.030 122.030 121.527 0.503 19427 3168 1 7 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.278 0.531 19427 3169 1 7 . 1 1 54 54 LEU C C 54 177.755 177.755 178.211 -0.456 19427 3170 1 7 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.729 0.094 19427 3171 1 7 . 1 1 54 54 LEU CB C 54 43.089 43.089 41.173 1.916 19427 3172 1 7 . 1 1 54 54 LEU H H 54 8.355 8.355 8.237 0.118 19427 3173 1 7 . 1 1 55 55 ALA N N 55 122.634 122.634 120.649 1.985 19427 3174 1 7 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.935 -0.043 19427 3175 1 7 . 1 1 55 55 ALA C C 55 179.192 179.192 179.228 -0.036 19427 3176 1 7 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.390 1.115 19427 3177 1 7 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.890 -0.726 19427 3178 1 7 . 1 1 55 55 ALA H H 55 8.195 8.195 7.714 0.481 19427 3179 1 7 . 1 1 56 56 VAL N N 56 118.079 118.079 118.073 0.006 19427 3180 1 7 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.725 0.136 19427 3181 1 7 . 1 1 56 56 VAL C C 56 180.389 180.389 178.660 1.729 19427 3182 1 7 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.886 0.701 19427 3183 1 7 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.307 0.386 19427 3184 1 7 . 1 1 56 56 VAL H H 56 7.402 7.402 7.129 0.273 19427 3185 1 7 . 1 1 57 57 ILE N N 57 122.536 122.536 120.734 1.802 19427 3186 1 7 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.653 -0.049 19427 3187 1 7 . 1 1 57 57 ILE C C 57 177.942 177.942 176.986 0.956 19427 3188 1 7 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.622 1.221 19427 3189 1 7 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.688 0.698 19427 3190 1 7 . 1 1 57 57 ILE H H 57 7.893 7.893 7.636 0.257 19427 3191 1 7 . 1 1 58 58 TYR N N 58 117.060 117.060 114.440 2.620 19427 3192 1 7 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.629 -0.498 19427 3193 1 7 . 1 1 58 58 TYR C C 58 174.728 174.728 175.184 -0.456 19427 3194 1 7 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.704 5.060 19427 3195 1 7 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.822 1.206 19427 3196 1 7 . 1 1 58 58 TYR H H 58 8.319 8.319 7.318 1.001 19427 3197 1 7 . 1 1 59 59 ASP N N 59 122.545 122.545 118.319 4.226 19427 3198 1 7 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.345 0.005 19427 3199 1 7 . 1 1 59 59 ASP C C 59 174.853 174.853 175.552 -0.699 19427 3200 1 7 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.732 -0.619 19427 3201 1 7 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.404 0.408 19427 3202 1 7 . 1 1 59 59 ASP H H 59 8.177 8.177 7.807 0.370 19427 3203 1 7 . 1 1 60 60 GLN N N 60 116.007 116.007 117.540 -1.533 19427 3204 1 7 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.661 0.069 19427 3205 1 7 . 1 1 60 60 GLN C C 60 174.853 174.853 174.254 0.599 19427 3206 1 7 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.075 -0.562 19427 3207 1 7 . 1 1 60 60 GLN CB C 60 34.384 34.384 31.643 2.741 19427 3208 1 7 . 1 1 60 60 GLN H H 60 8.424 8.424 7.997 0.427 19427 3209 1 7 . 1 1 61 61 SER N N 61 116.009 116.009 115.842 0.167 19427 3210 1 7 . 1 1 61 61 SER HA H 61 4.783 4.783 4.702 0.081 19427 3211 1 7 . 1 1 61 61 SER CA C 61 56.443 56.443 54.897 1.546 19427 3212 1 7 . 1 1 61 61 SER CB C 61 62.811 62.811 64.273 -1.462 19427 3213 1 7 . 1 1 61 61 SER H H 61 8.424 8.424 8.388 0.036 19427 3214 1 7 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.162 -0.126 19427 3215 1 7 . 1 1 62 62 PRO C C 62 179.161 179.161 178.460 0.701 19427 3216 1 7 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.246 1.250 19427 3217 1 7 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.854 -0.074 19427 3218 1 7 . 1 1 63 63 SER N N 63 114.103 114.103 113.187 0.916 19427 3219 1 7 . 1 1 63 63 SER HA H 63 4.838 4.838 4.172 0.666 19427 3220 1 7 . 1 1 63 63 SER C C 63 176.141 176.141 176.563 -0.422 19427 3221 1 7 . 1 1 63 63 SER CB C 63 62.293 62.293 62.969 -0.676 19427 3222 1 7 . 1 1 63 63 SER H H 63 8.596 8.596 7.822 0.774 19427 3223 1 7 . 1 1 64 64 VAL N N 64 125.461 125.461 123.042 2.419 19427 3224 1 7 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.790 -0.229 19427 3225 1 7 . 1 1 64 64 VAL C C 64 178.754 178.754 178.050 0.704 19427 3226 1 7 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.321 1.111 19427 3227 1 7 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.838 0.179 19427 3228 1 7 . 1 1 64 64 VAL H H 64 7.381 7.381 7.183 0.198 19427 3229 1 7 . 1 1 65 65 LEU N N 65 121.843 121.843 122.400 -0.557 19427 3230 1 7 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.220 -0.321 19427 3231 1 7 . 1 1 65 65 LEU C C 65 178.836 178.836 178.927 -0.091 19427 3232 1 7 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.252 -0.939 19427 3233 1 7 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.871 0.384 19427 3234 1 7 . 1 1 65 65 LEU H H 65 8.437 8.437 8.792 -0.355 19427 3235 1 7 . 1 1 66 66 THR N N 66 115.794 115.794 115.358 0.436 19427 3236 1 7 . 1 1 66 66 THR HA H 66 3.321 3.321 3.823 -0.502 19427 3237 1 7 . 1 1 66 66 THR C C 66 175.591 175.591 176.652 -1.061 19427 3238 1 7 . 1 1 66 66 THR CA C 66 69.056 69.056 67.458 1.598 19427 3239 1 7 . 1 1 66 66 THR CB C 66 67.992 67.992 68.365 -0.373 19427 3240 1 7 . 1 1 66 66 THR H H 66 8.079 8.079 8.023 0.056 19427 3241 1 7 . 1 1 67 67 GLU N N 67 118.543 118.543 120.865 -2.322 19427 3242 1 7 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.796 0.045 19427 3243 1 7 . 1 1 67 67 GLU C C 67 179.342 179.342 178.796 0.546 19427 3244 1 7 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.493 -0.269 19427 3245 1 7 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.060 -0.139 19427 3246 1 7 . 1 1 67 67 GLU H H 67 7.594 7.594 7.543 0.051 19427 3247 1 7 . 1 1 68 68 GLN N N 68 120.882 120.882 118.816 2.066 19427 3248 1 7 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.674 0.026 19427 3249 1 7 . 1 1 68 68 GLN C C 68 177.403 177.403 177.879 -0.476 19427 3250 1 7 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.318 0.076 19427 3251 1 7 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.115 0.259 19427 3252 1 7 . 1 1 68 68 GLN H H 68 7.847 7.847 8.292 -0.445 19427 3253 1 7 . 1 1 69 69 LEU N N 69 118.421 118.421 119.408 -0.987 19427 3254 1 7 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.643 -0.170 19427 3255 1 7 . 1 1 69 69 LEU C C 69 180.177 180.177 178.919 1.258 19427 3256 1 7 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.509 0.904 19427 3257 1 7 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.006 -0.035 19427 3258 1 7 . 1 1 69 69 LEU H H 69 7.986 7.986 7.684 0.302 19427 3259 1 7 . 1 1 70 70 ILE N N 70 121.346 121.346 120.169 1.177 19427 3260 1 7 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.957 0.203 19427 3261 1 7 . 1 1 70 70 ILE C C 70 180.910 180.910 178.743 2.167 19427 3262 1 7 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.646 0.404 19427 3263 1 7 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.828 0.517 19427 3264 1 7 . 1 1 70 70 ILE H H 70 8.262 8.262 7.574 0.688 19427 3265 1 7 . 1 1 71 71 SER N N 71 120.236 120.236 115.552 4.684 19427 3266 1 7 . 1 1 71 71 SER HA H 71 4.273 4.273 4.200 0.073 19427 3267 1 7 . 1 1 71 71 SER C C 71 177.045 177.045 176.146 0.899 19427 3268 1 7 . 1 1 71 71 SER CA C 71 62.544 62.544 61.121 1.423 19427 3269 1 7 . 1 1 71 71 SER CB C 71 62.839 62.839 62.718 0.121 19427 3270 1 7 . 1 1 71 71 SER H H 71 8.388 8.388 8.000 0.388 19427 3271 1 7 . 1 1 72 72 TRP N N 72 119.364 119.364 119.395 -0.031 19427 3272 1 7 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.690 0.236 19427 3273 1 7 . 1 1 72 72 TRP C C 72 176.839 176.839 176.899 -0.060 19427 3274 1 7 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.001 -1.236 19427 3275 1 7 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.627 2.637 19427 3276 1 7 . 1 1 72 72 TRP H H 72 8.066 8.066 7.737 0.329 19427 3277 1 7 . 1 1 73 73 GLY N N 73 106.514 106.514 105.829 0.685 19427 3278 1 7 . 1 1 73 73 GLY C C 73 174.697 174.697 174.404 0.293 19427 3279 1 7 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.846 -0.443 19427 3280 1 7 . 1 1 73 73 GLY H H 73 8.242 8.242 7.630 0.612 19427 3281 1 7 . 1 1 74 74 VAL N N 74 114.793 114.793 117.373 -2.580 19427 3282 1 7 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.144 0.053 19427 3283 1 7 . 1 1 74 74 VAL C C 74 174.015 174.015 175.778 -1.763 19427 3284 1 7 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.538 -0.425 19427 3285 1 7 . 1 1 74 74 VAL CB C 74 32.849 32.849 33.031 -0.181 19427 3286 1 7 . 1 1 74 74 VAL H H 74 7.834 7.834 8.315 -0.481 19427 3287 1 7 . 1 1 75 75 LEU N N 75 118.357 118.357 121.111 -2.754 19427 3288 1 7 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.927 -0.016 19427 3289 1 7 . 1 1 75 75 LEU C C 75 175.022 175.022 175.600 -0.578 19427 3290 1 7 . 1 1 75 75 LEU CA C 75 52.632 52.632 53.135 -0.503 19427 3291 1 7 . 1 1 75 75 LEU CB C 75 47.158 47.158 44.389 2.769 19427 3292 1 7 . 1 1 75 75 LEU H H 75 6.898 6.898 7.625 -0.727 19427 3293 1 7 . 1 1 76 76 ASP N N 76 122.400 122.400 125.533 -3.133 19427 3294 1 7 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.532 0.071 19427 3295 1 7 . 1 1 76 76 ASP C C 76 176.384 176.384 177.249 -0.865 19427 3296 1 7 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.255 0.127 19427 3297 1 7 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.321 -0.094 19427 3298 1 7 . 1 1 76 76 ASP H H 76 8.412 8.412 7.889 0.523 19427 3299 1 7 . 1 1 77 77 ALA N N 77 123.828 123.828 128.879 -5.051 19427 3300 1 7 . 1 1 77 77 ALA HA H 77 4.054 4.054 3.901 0.153 19427 3301 1 7 . 1 1 77 77 ALA C C 77 179.068 179.068 179.202 -0.134 19427 3302 1 7 . 1 1 77 77 ALA CA C 77 54.731 54.731 55.233 -0.503 19427 3303 1 7 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.598 0.151 19427 3304 1 7 . 1 1 77 77 ALA H H 77 8.601 8.601 8.574 0.027 19427 3305 1 7 . 1 1 78 78 ASP N N 78 118.882 118.882 119.271 -0.389 19427 3306 1 7 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.297 0.216 19427 3307 1 7 . 1 1 78 78 ASP C C 78 174.868 174.868 178.120 -3.252 19427 3308 1 7 . 1 1 78 78 ASP CA C 78 56.278 56.278 57.638 -1.360 19427 3309 1 7 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.362 0.546 19427 3310 1 7 . 1 1 78 78 ASP H H 78 8.791 8.791 8.681 0.110 19427 3311 1 7 . 1 1 79 79 ALA N N 79 121.027 121.027 121.763 -0.736 19427 3312 1 7 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.031 -0.030 19427 3313 1 7 . 1 1 79 79 ALA C C 79 178.803 178.803 179.095 -0.292 19427 3314 1 7 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.904 -0.513 19427 3315 1 7 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.359 1.561 19427 3316 1 7 . 1 1 79 79 ALA H H 79 8.287 8.287 7.738 0.549 19427 3317 1 7 . 1 1 80 80 ARG N N 80 115.805 115.805 116.793 -0.988 19427 3318 1 7 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.997 -0.072 19427 3319 1 7 . 1 1 80 80 ARG C C 80 178.254 178.254 177.683 0.571 19427 3320 1 7 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.753 0.476 19427 3321 1 7 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.860 0.397 19427 3322 1 7 . 1 1 80 80 ARG H H 80 7.689 7.689 8.365 -0.676 19427 3323 1 7 . 1 1 81 81 ARG N N 81 117.554 117.554 118.987 -1.433 19427 3324 1 7 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.207 -0.001 19427 3325 1 7 . 1 1 81 81 ARG C C 81 177.214 177.214 178.331 -1.117 19427 3326 1 7 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.419 0.274 19427 3327 1 7 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.845 0.397 19427 3328 1 7 . 1 1 81 81 ARG H H 81 7.782 7.782 7.599 0.183 19427 3329 1 7 . 1 1 82 82 ALA N N 82 121.590 121.590 122.351 -0.761 19427 3330 1 7 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.098 0.181 19427 3331 1 7 . 1 1 82 82 ALA C C 82 177.798 177.798 178.537 -0.739 19427 3332 1 7 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.628 -1.373 19427 3333 1 7 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.184 0.379 19427 3334 1 7 . 1 1 82 82 ALA H H 82 7.875 7.875 7.844 0.031 19427 3335 1 7 . 1 1 83 83 VAL N N 83 114.483 114.483 118.552 -4.069 19427 3336 1 7 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.215 -0.074 19427 3337 1 7 . 1 1 83 83 VAL C C 83 175.572 175.572 173.623 1.949 19427 3338 1 7 . 1 1 83 83 VAL CA C 83 62.041 62.041 60.972 1.069 19427 3339 1 7 . 1 1 83 83 VAL CB C 83 32.781 32.781 31.673 1.108 19427 3340 1 7 . 1 1 83 83 VAL H H 83 7.503 7.503 7.868 -0.365 19427 3341 1 7 . 1 1 84 84 ALA N N 84 125.870 125.870 128.559 -2.689 19427 3342 1 7 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.854 -0.533 19427 3343 1 7 . 1 1 84 84 ALA C C 84 177.696 177.696 177.419 0.277 19427 3344 1 7 . 1 1 84 84 ALA CA C 84 52.771 52.771 50.558 2.213 19427 3345 1 7 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.625 -1.113 19427 3346 1 7 . 1 1 84 84 ALA H H 84 7.876 7.876 7.614 0.262 19427 3347 1 7 . 1 1 85 85 SER N N 85 114.965 114.965 115.427 -0.462 19427 3348 1 7 . 1 1 85 85 SER HA H 85 4.396 4.396 4.325 0.071 19427 3349 1 7 . 1 1 85 85 SER CA C 85 58.393 58.393 60.136 -1.743 19427 3350 1 7 . 1 1 85 85 SER CB C 85 63.915 63.915 63.435 0.480 19427 3351 1 7 . 1 1 85 85 SER H H 85 8.521 8.521 8.569 -0.048 19427 3352 1 7 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.712 -0.046 19427 3353 1 7 . 1 1 86 86 HIS C C 86 174.868 174.868 173.449 1.419 19427 3354 1 7 . 1 1 86 86 HIS CA C 86 56.321 56.321 54.939 1.382 19427 3355 1 7 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.616 -0.304 19427 3356 1 7 . 1 1 87 87 ASP N N 87 121.205 121.205 127.255 -6.050 19427 3357 1 7 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.704 -0.101 19427 3358 1 7 . 1 1 87 87 ASP C C 87 175.917 175.917 176.396 -0.479 19427 3359 1 7 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.436 0.141 19427 3360 1 7 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.110 -0.854 19427 3361 1 7 . 1 1 87 87 ASP H H 87 8.326 8.326 8.418 -0.092 19427 3362 1 7 . 1 1 88 88 GLU N N 88 121.167 121.167 122.946 -1.779 19427 3363 1 7 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.317 0.000 19427 3364 1 7 . 1 1 88 88 GLU C C 88 175.455 175.455 175.139 0.316 19427 3365 1 7 . 1 1 88 88 GLU CA C 88 56.372 56.372 57.559 -1.188 19427 3366 1 7 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.232 0.141 19427 3367 1 7 . 1 1 88 88 GLU H H 88 8.352 8.352 8.613 -0.261 19427 3368 1 8 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.479 -0.078 19427 3369 1 8 . 1 1 5 5 PRO C C 5 176.334 176.334 176.076 0.258 19427 3370 1 8 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.179 -0.396 19427 3371 1 8 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.228 0.126 19427 3372 1 8 . 1 1 6 6 LYS N N 6 121.980 121.980 122.535 -0.555 19427 3373 1 8 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.454 -0.080 19427 3374 1 8 . 1 1 6 6 LYS C C 6 175.715 175.715 176.600 -0.885 19427 3375 1 8 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.460 0.712 19427 3376 1 8 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.540 -0.270 19427 3377 1 8 . 1 1 6 6 LYS H H 6 8.546 8.546 8.388 0.158 19427 3378 1 8 . 1 1 7 7 LEU N N 7 125.018 125.018 126.306 -1.288 19427 3379 1 8 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.453 0.070 19427 3380 1 8 . 1 1 7 7 LEU C C 7 174.994 174.994 175.354 -0.360 19427 3381 1 8 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.471 -0.421 19427 3382 1 8 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.555 1.616 19427 3383 1 8 . 1 1 7 7 LEU H H 7 8.620 8.620 8.948 -0.328 19427 3384 1 8 . 1 1 8 8 VAL N N 8 121.522 121.522 124.350 -2.828 19427 3385 1 8 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.563 -0.016 19427 3386 1 8 . 1 1 8 8 VAL C C 8 175.042 175.042 174.605 0.437 19427 3387 1 8 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.728 0.478 19427 3388 1 8 . 1 1 8 8 VAL CB C 8 34.596 34.596 33.017 1.579 19427 3389 1 8 . 1 1 8 8 VAL H H 8 8.084 8.084 8.090 -0.006 19427 3390 1 8 . 1 1 9 9 LEU N N 9 126.312 126.312 129.533 -3.221 19427 3391 1 8 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.808 0.132 19427 3392 1 8 . 1 1 9 9 LEU C C 9 175.831 175.831 174.736 1.095 19427 3393 1 8 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.529 0.017 19427 3394 1 8 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.125 0.108 19427 3395 1 8 . 1 1 9 9 LEU H H 9 9.137 9.137 9.364 -0.227 19427 3396 1 8 . 1 1 10 10 ASP N N 10 123.236 123.236 127.772 -4.536 19427 3397 1 8 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.804 0.044 19427 3398 1 8 . 1 1 10 10 ASP C C 10 176.685 176.685 176.634 0.051 19427 3399 1 8 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.276 -0.683 19427 3400 1 8 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.990 -1.170 19427 3401 1 8 . 1 1 10 10 ASP H H 10 9.002 9.002 9.051 -0.049 19427 3402 1 8 . 1 1 11 11 LEU N N 11 124.059 124.059 125.803 -1.744 19427 3403 1 8 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.219 -0.153 19427 3404 1 8 . 1 1 11 11 LEU C C 11 180.169 180.169 178.517 1.652 19427 3405 1 8 . 1 1 11 11 LEU CA C 11 57.013 57.013 56.928 0.085 19427 3406 1 8 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.120 -1.270 19427 3407 1 8 . 1 1 11 11 LEU H H 11 8.273 8.273 8.828 -0.555 19427 3408 1 8 . 1 1 12 12 GLU N N 12 121.967 121.967 119.333 2.634 19427 3409 1 8 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.218 -0.044 19427 3410 1 8 . 1 1 12 12 GLU C C 12 179.719 179.719 179.014 0.705 19427 3411 1 8 . 1 1 12 12 GLU CA C 12 59.628 59.628 58.669 0.959 19427 3412 1 8 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.499 0.061 19427 3413 1 8 . 1 1 12 12 GLU H H 12 8.273 8.273 7.853 0.420 19427 3414 1 8 . 1 1 13 13 ARG N N 13 119.595 119.595 120.557 -0.962 19427 3415 1 8 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.199 -0.027 19427 3416 1 8 . 1 1 13 13 ARG C C 13 179.909 179.909 178.917 0.992 19427 3417 1 8 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.473 -0.162 19427 3418 1 8 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.782 -0.227 19427 3419 1 8 . 1 1 13 13 ARG H H 13 8.081 8.081 9.124 -1.043 19427 3420 1 8 . 1 1 14 14 LEU N N 14 120.325 120.325 119.858 0.467 19427 3421 1 8 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.221 -0.274 19427 3422 1 8 . 1 1 14 14 LEU C C 14 177.166 177.166 178.215 -1.049 19427 3423 1 8 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.755 -0.181 19427 3424 1 8 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.764 0.034 19427 3425 1 8 . 1 1 14 14 LEU H H 14 8.205 8.205 7.834 0.371 19427 3426 1 8 . 1 1 15 15 ALA N N 15 117.835 117.835 119.163 -1.328 19427 3427 1 8 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.240 -0.115 19427 3428 1 8 . 1 1 15 15 ALA C C 15 178.500 178.500 177.991 0.509 19427 3429 1 8 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.194 0.126 19427 3430 1 8 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.846 -0.134 19427 3431 1 8 . 1 1 15 15 ALA H H 15 7.265 7.265 7.414 -0.149 19427 3432 1 8 . 1 1 16 16 THR N N 16 105.967 105.967 108.936 -2.969 19427 3433 1 8 . 1 1 16 16 THR HA H 16 4.378 4.378 4.150 0.228 19427 3434 1 8 . 1 1 16 16 THR C C 16 174.639 174.639 175.082 -0.443 19427 3435 1 8 . 1 1 16 16 THR CA C 16 61.642 61.642 62.798 -1.157 19427 3436 1 8 . 1 1 16 16 THR CB C 16 69.957 69.957 68.947 1.010 19427 3437 1 8 . 1 1 16 16 THR H H 16 7.530 7.530 7.254 0.276 19427 3438 1 8 . 1 1 17 17 VAL N N 17 126.962 126.962 124.340 2.622 19427 3439 1 8 . 1 1 17 17 VAL HA H 17 3.985 3.985 3.953 0.032 19427 3440 1 8 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.510 1.025 19427 3441 1 8 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.184 1.204 19427 3442 1 8 . 1 1 17 17 VAL H H 17 7.208 7.208 7.120 0.088 19427 3443 1 8 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.227 0.041 19427 3444 1 8 . 1 1 18 18 PRO C C 18 178.094 178.094 177.538 0.556 19427 3445 1 8 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.526 0.322 19427 3446 1 8 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.001 0.710 19427 3447 1 8 . 1 1 19 19 ALA N N 19 128.383 128.383 127.926 0.457 19427 3448 1 8 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.991 -0.047 19427 3449 1 8 . 1 1 19 19 ALA C C 19 180.008 180.008 179.887 0.121 19427 3450 1 8 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.734 0.583 19427 3451 1 8 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.596 0.318 19427 3452 1 8 . 1 1 19 19 ALA H H 19 8.872 8.872 8.731 0.141 19427 3453 1 8 . 1 1 20 20 GLU N N 20 118.522 118.522 118.014 0.508 19427 3454 1 8 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.002 0.112 19427 3455 1 8 . 1 1 20 20 GLU C C 20 177.573 177.573 177.669 -0.096 19427 3456 1 8 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.807 0.829 19427 3457 1 8 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.331 -0.493 19427 3458 1 8 . 1 1 20 20 GLU H H 20 9.459 9.459 8.893 0.566 19427 3459 1 8 . 1 1 21 21 LYS N N 21 115.147 115.147 116.954 -1.807 19427 3460 1 8 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.316 0.336 19427 3461 1 8 . 1 1 21 21 LYS C C 21 177.045 177.045 177.477 -0.432 19427 3462 1 8 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.654 -0.666 19427 3463 1 8 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.853 0.099 19427 3464 1 8 . 1 1 21 21 LYS H H 21 7.441 7.441 7.863 -0.422 19427 3465 1 8 . 1 1 22 22 ALA N N 22 119.898 119.898 121.604 -1.706 19427 3466 1 8 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.774 -0.630 19427 3467 1 8 . 1 1 22 22 ALA C C 22 177.520 177.520 178.928 -1.408 19427 3468 1 8 . 1 1 22 22 ALA CA C 22 53.181 53.181 53.005 0.176 19427 3469 1 8 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.783 1.448 19427 3470 1 8 . 1 1 22 22 ALA H H 22 8.096 8.096 8.608 -0.512 19427 3471 1 8 . 1 1 23 23 GLY N N 23 107.148 107.148 108.870 -1.722 19427 3472 1 8 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.115 0.897 19427 3473 1 8 . 1 1 23 23 GLY H H 23 8.484 8.484 8.186 0.298 19427 3474 1 8 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.412 -0.238 19427 3475 1 8 . 1 1 24 24 PRO C C 24 179.318 179.318 178.152 1.166 19427 3476 1 8 . 1 1 24 24 PRO CA C 24 65.953 65.953 64.937 1.016 19427 3477 1 8 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.539 -0.168 19427 3478 1 8 . 1 1 25 25 LEU N N 25 118.416 118.416 120.366 -1.950 19427 3479 1 8 . 1 1 25 25 LEU HA H 25 4.356 4.356 3.971 0.385 19427 3480 1 8 . 1 1 25 25 LEU C C 25 177.871 177.871 178.612 -0.741 19427 3481 1 8 . 1 1 25 25 LEU CA C 25 57.935 57.935 58.169 -0.234 19427 3482 1 8 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.901 0.448 19427 3483 1 8 . 1 1 25 25 LEU H H 25 7.394 7.394 7.861 -0.467 19427 3484 1 8 . 1 1 26 26 GLN N N 26 119.819 119.819 117.689 2.130 19427 3485 1 8 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.021 -0.127 19427 3486 1 8 . 1 1 26 26 GLN C C 26 179.865 179.865 178.714 1.151 19427 3487 1 8 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.412 0.359 19427 3488 1 8 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.363 -0.809 19427 3489 1 8 . 1 1 26 26 GLN H H 26 8.885 8.885 8.810 0.075 19427 3490 1 8 . 1 1 27 27 ARG N N 27 119.761 119.761 120.575 -0.814 19427 3491 1 8 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.062 0.079 19427 3492 1 8 . 1 1 27 27 ARG C C 27 178.950 178.950 178.510 0.440 19427 3493 1 8 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.554 0.082 19427 3494 1 8 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.129 0.287 19427 3495 1 8 . 1 1 27 27 ARG H H 27 8.694 8.694 7.617 1.077 19427 3496 1 8 . 1 1 28 28 TYR N N 28 122.540 122.540 121.233 1.307 19427 3497 1 8 . 1 1 28 28 TYR HA H 28 4.171 4.171 3.996 0.175 19427 3498 1 8 . 1 1 28 28 TYR C C 28 177.843 177.843 177.131 0.712 19427 3499 1 8 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.696 0.582 19427 3500 1 8 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.338 1.375 19427 3501 1 8 . 1 1 28 28 TYR H H 28 8.211 8.211 8.211 -0.000 19427 3502 1 8 . 1 1 29 29 ALA N N 29 120.477 120.477 120.947 -0.470 19427 3503 1 8 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.810 -0.048 19427 3504 1 8 . 1 1 29 29 ALA C C 29 178.739 178.739 178.797 -0.058 19427 3505 1 8 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.110 0.075 19427 3506 1 8 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.133 -0.204 19427 3507 1 8 . 1 1 29 29 ALA H H 29 9.065 9.065 8.265 0.800 19427 3508 1 8 . 1 1 30 30 ALA N N 30 118.596 118.596 120.704 -2.108 19427 3509 1 8 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.993 0.294 19427 3510 1 8 . 1 1 30 30 ALA C C 30 180.895 180.895 179.899 0.996 19427 3511 1 8 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.240 -0.165 19427 3512 1 8 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.163 -0.077 19427 3513 1 8 . 1 1 30 30 ALA H H 30 7.741 7.741 8.391 -0.650 19427 3514 1 8 . 1 1 31 31 THR N N 31 116.024 116.024 116.327 -0.303 19427 3515 1 8 . 1 1 31 31 THR HA H 31 3.995 3.995 4.005 -0.010 19427 3516 1 8 . 1 1 31 31 THR C C 31 176.687 176.687 176.498 0.189 19427 3517 1 8 . 1 1 31 31 THR CA C 31 66.452 66.452 66.804 -0.352 19427 3518 1 8 . 1 1 31 31 THR CB C 31 68.867 68.867 68.477 0.390 19427 3519 1 8 . 1 1 31 31 THR H H 31 7.914 7.914 8.106 -0.192 19427 3520 1 8 . 1 1 32 32 ILE N N 32 121.094 121.094 121.760 -0.666 19427 3521 1 8 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.612 0.203 19427 3522 1 8 . 1 1 32 32 ILE C C 32 178.583 178.583 177.997 0.586 19427 3523 1 8 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.868 0.285 19427 3524 1 8 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.307 0.633 19427 3525 1 8 . 1 1 32 32 ILE H H 32 7.846 7.846 7.967 -0.121 19427 3526 1 8 . 1 1 33 33 GLN N N 33 119.832 119.832 119.431 0.401 19427 3527 1 8 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.957 -0.118 19427 3528 1 8 . 1 1 33 33 GLN C C 33 178.264 178.264 178.993 -0.729 19427 3529 1 8 . 1 1 33 33 GLN CA C 33 59.858 59.858 58.884 0.974 19427 3530 1 8 . 1 1 33 33 GLN CB C 33 29.365 29.365 27.991 1.374 19427 3531 1 8 . 1 1 33 33 GLN H H 33 8.374 8.374 8.445 -0.071 19427 3532 1 8 . 1 1 34 34 SER N N 34 112.726 112.726 114.402 -1.676 19427 3533 1 8 . 1 1 34 34 SER HA H 34 4.333 4.333 4.217 0.116 19427 3534 1 8 . 1 1 34 34 SER C C 34 176.817 176.817 176.522 0.295 19427 3535 1 8 . 1 1 34 34 SER CA C 34 60.915 60.915 61.350 -0.435 19427 3536 1 8 . 1 1 34 34 SER CB C 34 63.235 63.235 62.799 0.436 19427 3537 1 8 . 1 1 34 34 SER H H 34 7.816 7.816 8.129 -0.313 19427 3538 1 8 . 1 1 35 35 GLN N N 35 120.724 120.724 119.970 0.754 19427 3539 1 8 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.153 0.041 19427 3540 1 8 . 1 1 35 35 GLN C C 35 177.930 177.930 177.834 0.096 19427 3541 1 8 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.924 0.185 19427 3542 1 8 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.680 0.508 19427 3543 1 8 . 1 1 35 35 GLN H H 35 8.034 8.034 7.717 0.317 19427 3544 1 8 . 1 1 36 36 ARG N N 36 116.267 116.267 116.988 -0.721 19427 3545 1 8 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.444 -0.046 19427 3546 1 8 . 1 1 36 36 ARG C C 36 177.013 177.013 177.835 -0.822 19427 3547 1 8 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.219 0.205 19427 3548 1 8 . 1 1 36 36 ARG CB C 36 31.418 31.418 31.149 0.269 19427 3549 1 8 . 1 1 36 36 ARG H H 36 8.091 8.091 8.034 0.057 19427 3550 1 8 . 1 1 37 37 GLY N N 37 109.299 109.299 109.001 0.298 19427 3551 1 8 . 1 1 37 37 GLY C C 37 173.661 173.661 173.770 -0.109 19427 3552 1 8 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.712 0.558 19427 3553 1 8 . 1 1 37 37 GLY H H 37 7.972 7.972 8.210 -0.238 19427 3554 1 8 . 1 1 38 38 ASP N N 38 119.246 119.246 119.696 -0.450 19427 3555 1 8 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.931 -0.216 19427 3556 1 8 . 1 1 38 38 ASP C C 38 175.405 175.405 173.708 1.697 19427 3557 1 8 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.307 -0.136 19427 3558 1 8 . 1 1 38 38 ASP CB C 38 41.640 41.640 43.178 -1.538 19427 3559 1 8 . 1 1 38 38 ASP H H 38 7.838 7.838 7.984 -0.146 19427 3560 1 8 . 1 1 39 39 TYR N N 39 121.210 121.210 118.365 2.845 19427 3561 1 8 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.647 -0.120 19427 3562 1 8 . 1 1 39 39 TYR C C 39 176.937 176.937 175.471 1.466 19427 3563 1 8 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.723 0.405 19427 3564 1 8 . 1 1 39 39 TYR CB C 39 38.588 38.588 41.951 -3.363 19427 3565 1 8 . 1 1 39 39 TYR H H 39 8.202 8.202 8.147 0.055 19427 3566 1 8 . 1 1 40 40 ASN N N 40 120.622 120.622 119.143 1.479 19427 3567 1 8 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.501 0.118 19427 3568 1 8 . 1 1 40 40 ASN C C 40 175.853 175.853 176.683 -0.830 19427 3569 1 8 . 1 1 40 40 ASN CA C 40 54.383 54.383 54.977 -0.594 19427 3570 1 8 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.961 0.546 19427 3571 1 8 . 1 1 40 40 ASN H H 40 8.393 8.393 8.522 -0.129 19427 3572 1 8 . 1 1 41 41 GLY N N 41 107.971 107.971 108.764 -0.793 19427 3573 1 8 . 1 1 41 41 GLY C C 41 173.926 173.926 174.701 -0.775 19427 3574 1 8 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.373 0.557 19427 3575 1 8 . 1 1 41 41 GLY H H 41 8.103 8.103 8.513 -0.410 19427 3576 1 8 . 1 1 42 42 LYS N N 42 119.472 119.472 122.079 -2.607 19427 3577 1 8 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.281 0.208 19427 3578 1 8 . 1 1 42 42 LYS C C 42 176.201 176.201 175.798 0.403 19427 3579 1 8 . 1 1 42 42 LYS CA C 42 57.709 57.709 58.522 -0.813 19427 3580 1 8 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.890 0.455 19427 3581 1 8 . 1 1 42 42 LYS H H 42 8.652 8.652 8.156 0.496 19427 3582 1 8 . 1 1 43 43 VAL N N 43 112.852 112.852 112.039 0.813 19427 3583 1 8 . 1 1 43 43 VAL HA H 43 5.330 5.330 4.973 0.357 19427 3584 1 8 . 1 1 43 43 VAL C C 43 174.906 174.906 173.851 1.055 19427 3585 1 8 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.708 -0.444 19427 3586 1 8 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.867 0.086 19427 3587 1 8 . 1 1 43 43 VAL H H 43 7.840 7.840 8.175 -0.335 19427 3588 1 8 . 1 1 44 44 LEU N N 44 123.642 123.642 122.139 1.503 19427 3589 1 8 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.922 -0.133 19427 3590 1 8 . 1 1 44 44 LEU C C 44 175.260 175.260 174.739 0.521 19427 3591 1 8 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.587 0.289 19427 3592 1 8 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.424 2.074 19427 3593 1 8 . 1 1 44 44 LEU H H 44 8.610 8.610 8.908 -0.298 19427 3594 1 8 . 1 1 45 45 SER N N 45 124.267 124.267 122.799 1.468 19427 3595 1 8 . 1 1 45 45 SER HA H 45 5.052 5.052 5.099 -0.047 19427 3596 1 8 . 1 1 45 45 SER C C 45 174.246 174.246 174.578 -0.332 19427 3597 1 8 . 1 1 45 45 SER CA C 45 58.852 58.852 58.089 0.763 19427 3598 1 8 . 1 1 45 45 SER CB C 45 63.509 63.509 63.594 -0.085 19427 3599 1 8 . 1 1 45 45 SER H H 45 9.111 9.111 8.711 0.400 19427 3600 1 8 . 1 1 46 46 ILE N N 46 118.924 118.924 123.305 -4.381 19427 3601 1 8 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.609 0.171 19427 3602 1 8 . 1 1 46 46 ILE C C 46 174.199 174.199 174.105 0.094 19427 3603 1 8 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.977 0.625 19427 3604 1 8 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.850 0.745 19427 3605 1 8 . 1 1 46 46 ILE H H 46 8.542 8.542 9.164 -0.622 19427 3606 1 8 . 1 1 47 47 ARG N N 47 119.572 119.572 119.371 0.201 19427 3607 1 8 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.721 0.144 19427 3608 1 8 . 1 1 47 47 ARG C C 47 178.511 178.511 177.686 0.825 19427 3609 1 8 . 1 1 47 47 ARG CA C 47 54.508 54.508 53.728 0.780 19427 3610 1 8 . 1 1 47 47 ARG CB C 47 33.318 33.318 32.102 1.216 19427 3611 1 8 . 1 1 47 47 ARG H H 47 9.488 9.488 9.050 0.438 19427 3612 1 8 . 1 1 48 48 GLN N N 48 122.809 122.809 119.438 3.371 19427 3613 1 8 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.060 -0.242 19427 3614 1 8 . 1 1 48 48 GLN C C 48 178.972 178.972 177.360 1.612 19427 3615 1 8 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.171 1.356 19427 3616 1 8 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.544 -0.260 19427 3617 1 8 . 1 1 48 48 GLN H H 48 9.350 9.350 8.866 0.484 19427 3618 1 8 . 1 1 49 49 ASP N N 49 115.682 115.682 120.739 -5.057 19427 3619 1 8 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.535 -0.175 19427 3620 1 8 . 1 1 49 49 ASP C C 49 178.758 178.758 178.158 0.600 19427 3621 1 8 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.892 0.464 19427 3622 1 8 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.005 0.478 19427 3623 1 8 . 1 1 49 49 ASP H H 49 8.855 8.855 8.791 0.064 19427 3624 1 8 . 1 1 50 50 ASP N N 50 117.926 117.926 121.648 -3.722 19427 3625 1 8 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.447 0.165 19427 3626 1 8 . 1 1 50 50 ASP C C 50 177.865 177.865 178.342 -0.477 19427 3627 1 8 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.717 0.359 19427 3628 1 8 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.692 0.947 19427 3629 1 8 . 1 1 50 50 ASP H H 50 7.519 7.519 8.357 -0.838 19427 3630 1 8 . 1 1 51 51 LEU N N 51 118.893 118.893 120.201 -1.308 19427 3631 1 8 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.866 0.046 19427 3632 1 8 . 1 1 51 51 LEU C C 51 178.254 178.254 178.258 -0.004 19427 3633 1 8 . 1 1 51 51 LEU CA C 51 58.129 58.129 58.029 0.100 19427 3634 1 8 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.851 -0.454 19427 3635 1 8 . 1 1 51 51 LEU H H 51 7.444 7.444 7.634 -0.190 19427 3636 1 8 . 1 1 52 52 ARG N N 52 117.366 117.366 117.591 -0.225 19427 3637 1 8 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.897 0.013 19427 3638 1 8 . 1 1 52 52 ARG C C 52 178.886 178.886 178.788 0.098 19427 3639 1 8 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.822 0.463 19427 3640 1 8 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.011 -0.193 19427 3641 1 8 . 1 1 52 52 ARG H H 52 7.757 7.757 7.714 0.043 19427 3642 1 8 . 1 1 53 53 THR N N 53 118.266 118.266 117.421 0.845 19427 3643 1 8 . 1 1 53 53 THR HA H 53 3.924 3.924 3.931 -0.007 19427 3644 1 8 . 1 1 53 53 THR C C 53 176.626 176.626 176.200 0.426 19427 3645 1 8 . 1 1 53 53 THR CA C 53 67.001 67.001 66.897 0.104 19427 3646 1 8 . 1 1 53 53 THR CB C 53 68.759 68.759 68.161 0.598 19427 3647 1 8 . 1 1 53 53 THR H H 53 7.973 7.973 8.052 -0.079 19427 3648 1 8 . 1 1 54 54 LEU N N 54 122.030 122.030 119.472 2.558 19427 3649 1 8 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.643 0.166 19427 3650 1 8 . 1 1 54 54 LEU C C 54 177.755 177.755 178.139 -0.384 19427 3651 1 8 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.507 0.316 19427 3652 1 8 . 1 1 54 54 LEU CB C 54 43.089 43.089 41.060 2.029 19427 3653 1 8 . 1 1 54 54 LEU H H 54 8.355 8.355 7.618 0.737 19427 3654 1 8 . 1 1 55 55 ALA N N 55 122.634 122.634 120.708 1.926 19427 3655 1 8 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.987 -0.095 19427 3656 1 8 . 1 1 55 55 ALA C C 55 179.192 179.192 179.401 -0.209 19427 3657 1 8 . 1 1 55 55 ALA CA C 55 56.505 56.505 54.619 1.886 19427 3658 1 8 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.125 -0.961 19427 3659 1 8 . 1 1 55 55 ALA H H 55 8.195 8.195 7.126 1.069 19427 3660 1 8 . 1 1 56 56 VAL N N 56 118.079 118.079 118.592 -0.513 19427 3661 1 8 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.733 0.128 19427 3662 1 8 . 1 1 56 56 VAL C C 56 180.389 180.389 177.879 2.510 19427 3663 1 8 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.873 0.714 19427 3664 1 8 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.099 0.594 19427 3665 1 8 . 1 1 56 56 VAL H H 56 7.402 7.402 7.393 0.009 19427 3666 1 8 . 1 1 57 57 ILE N N 57 122.536 122.536 119.960 2.576 19427 3667 1 8 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.666 -0.062 19427 3668 1 8 . 1 1 57 57 ILE C C 57 177.942 177.942 177.409 0.533 19427 3669 1 8 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.562 1.281 19427 3670 1 8 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.621 0.765 19427 3671 1 8 . 1 1 57 57 ILE H H 57 7.893 7.893 7.433 0.460 19427 3672 1 8 . 1 1 58 58 TYR N N 58 117.060 117.060 117.158 -0.098 19427 3673 1 8 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.594 -0.463 19427 3674 1 8 . 1 1 58 58 TYR C C 58 174.728 174.728 175.405 -0.677 19427 3675 1 8 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.939 4.825 19427 3676 1 8 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.809 1.218 19427 3677 1 8 . 1 1 58 58 TYR H H 58 8.319 8.319 7.406 0.913 19427 3678 1 8 . 1 1 59 59 ASP N N 59 122.545 122.545 118.180 4.365 19427 3679 1 8 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.311 0.039 19427 3680 1 8 . 1 1 59 59 ASP C C 59 174.853 174.853 174.922 -0.069 19427 3681 1 8 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.221 -0.108 19427 3682 1 8 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.869 -0.057 19427 3683 1 8 . 1 1 59 59 ASP H H 59 8.177 8.177 7.629 0.548 19427 3684 1 8 . 1 1 60 60 GLN N N 60 116.007 116.007 118.055 -2.048 19427 3685 1 8 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.587 0.143 19427 3686 1 8 . 1 1 60 60 GLN C C 60 174.853 174.853 174.261 0.592 19427 3687 1 8 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.941 -0.428 19427 3688 1 8 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.308 2.076 19427 3689 1 8 . 1 1 60 60 GLN H H 60 8.424 8.424 8.260 0.164 19427 3690 1 8 . 1 1 61 61 SER N N 61 116.009 116.009 115.168 0.841 19427 3691 1 8 . 1 1 61 61 SER HA H 61 4.783 4.783 4.738 0.045 19427 3692 1 8 . 1 1 61 61 SER CA C 61 56.443 56.443 54.721 1.722 19427 3693 1 8 . 1 1 61 61 SER CB C 61 62.811 62.811 63.902 -1.091 19427 3694 1 8 . 1 1 61 61 SER H H 61 8.424 8.424 8.442 -0.018 19427 3695 1 8 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.254 -0.218 19427 3696 1 8 . 1 1 62 62 PRO C C 62 179.161 179.161 178.470 0.691 19427 3697 1 8 . 1 1 62 62 PRO CA C 62 66.496 66.496 64.825 1.671 19427 3698 1 8 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.965 -0.185 19427 3699 1 8 . 1 1 63 63 SER N N 63 114.103 114.103 115.241 -1.138 19427 3700 1 8 . 1 1 63 63 SER HA H 63 4.838 4.838 4.102 0.736 19427 3701 1 8 . 1 1 63 63 SER C C 63 176.141 176.141 176.471 -0.330 19427 3702 1 8 . 1 1 63 63 SER CB C 63 62.293 62.293 62.670 -0.377 19427 3703 1 8 . 1 1 63 63 SER H H 63 8.596 8.596 7.887 0.709 19427 3704 1 8 . 1 1 64 64 VAL N N 64 125.461 125.461 118.964 6.497 19427 3705 1 8 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.930 -0.369 19427 3706 1 8 . 1 1 64 64 VAL C C 64 178.754 178.754 177.026 1.728 19427 3707 1 8 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.318 1.114 19427 3708 1 8 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.087 0.930 19427 3709 1 8 . 1 1 64 64 VAL H H 64 7.381 7.381 7.260 0.121 19427 3710 1 8 . 1 1 65 65 LEU N N 65 121.843 121.843 122.552 -0.709 19427 3711 1 8 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.052 -0.153 19427 3712 1 8 . 1 1 65 65 LEU C C 65 178.836 178.836 178.675 0.161 19427 3713 1 8 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.407 -1.095 19427 3714 1 8 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.895 0.360 19427 3715 1 8 . 1 1 65 65 LEU H H 65 8.437 8.437 7.910 0.527 19427 3716 1 8 . 1 1 66 66 THR N N 66 115.794 115.794 115.461 0.333 19427 3717 1 8 . 1 1 66 66 THR HA H 66 3.321 3.321 3.760 -0.439 19427 3718 1 8 . 1 1 66 66 THR C C 66 175.591 175.591 176.255 -0.664 19427 3719 1 8 . 1 1 66 66 THR CA C 66 69.056 69.056 67.650 1.406 19427 3720 1 8 . 1 1 66 66 THR CB C 66 67.992 67.992 68.709 -0.717 19427 3721 1 8 . 1 1 66 66 THR H H 66 8.079 8.079 8.252 -0.173 19427 3722 1 8 . 1 1 67 67 GLU N N 67 118.543 118.543 120.628 -2.085 19427 3723 1 8 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.885 -0.044 19427 3724 1 8 . 1 1 67 67 GLU C C 67 179.342 179.342 178.981 0.361 19427 3725 1 8 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.180 0.045 19427 3726 1 8 . 1 1 67 67 GLU CB C 67 28.921 28.921 28.891 0.030 19427 3727 1 8 . 1 1 67 67 GLU H H 67 7.594 7.594 7.736 -0.142 19427 3728 1 8 . 1 1 68 68 GLN N N 68 120.882 120.882 119.166 1.716 19427 3729 1 8 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.841 -0.141 19427 3730 1 8 . 1 1 68 68 GLN C C 68 177.403 177.403 177.908 -0.505 19427 3731 1 8 . 1 1 68 68 GLN CA C 68 58.394 58.394 57.790 0.604 19427 3732 1 8 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.017 0.357 19427 3733 1 8 . 1 1 68 68 GLN H H 68 7.847 7.847 7.621 0.226 19427 3734 1 8 . 1 1 69 69 LEU N N 69 118.421 118.421 119.803 -1.382 19427 3735 1 8 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.310 0.163 19427 3736 1 8 . 1 1 69 69 LEU C C 69 180.177 180.177 178.785 1.392 19427 3737 1 8 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.572 0.841 19427 3738 1 8 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.340 -0.369 19427 3739 1 8 . 1 1 69 69 LEU H H 69 7.986 7.986 7.494 0.492 19427 3740 1 8 . 1 1 70 70 ILE N N 70 121.346 121.346 119.510 1.836 19427 3741 1 8 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.816 0.344 19427 3742 1 8 . 1 1 70 70 ILE C C 70 180.910 180.910 178.483 2.427 19427 3743 1 8 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.823 0.227 19427 3744 1 8 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.864 0.481 19427 3745 1 8 . 1 1 70 70 ILE H H 70 8.262 8.262 7.917 0.345 19427 3746 1 8 . 1 1 71 71 SER N N 71 120.236 120.236 115.605 4.631 19427 3747 1 8 . 1 1 71 71 SER HA H 71 4.273 4.273 4.239 0.034 19427 3748 1 8 . 1 1 71 71 SER C C 71 177.045 177.045 176.061 0.984 19427 3749 1 8 . 1 1 71 71 SER CA C 71 62.544 62.544 61.521 1.023 19427 3750 1 8 . 1 1 71 71 SER CB C 71 62.839 62.839 63.066 -0.226 19427 3751 1 8 . 1 1 71 71 SER H H 71 8.388 8.388 7.790 0.598 19427 3752 1 8 . 1 1 72 72 TRP N N 72 119.364 119.364 118.402 0.962 19427 3753 1 8 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.705 0.221 19427 3754 1 8 . 1 1 72 72 TRP C C 72 176.839 176.839 176.747 0.092 19427 3755 1 8 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.440 0.324 19427 3756 1 8 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.439 1.825 19427 3757 1 8 . 1 1 72 72 TRP H H 72 8.066 8.066 8.016 0.050 19427 3758 1 8 . 1 1 73 73 GLY N N 73 106.514 106.514 105.533 0.981 19427 3759 1 8 . 1 1 73 73 GLY C C 73 174.697 174.697 174.845 -0.148 19427 3760 1 8 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.922 -0.519 19427 3761 1 8 . 1 1 73 73 GLY H H 73 8.242 8.242 7.697 0.545 19427 3762 1 8 . 1 1 74 74 VAL N N 74 114.793 114.793 117.723 -2.930 19427 3763 1 8 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.155 0.042 19427 3764 1 8 . 1 1 74 74 VAL C C 74 174.015 174.015 175.461 -1.446 19427 3765 1 8 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.372 -1.259 19427 3766 1 8 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.865 -0.016 19427 3767 1 8 . 1 1 74 74 VAL H H 74 7.834 7.834 8.296 -0.462 19427 3768 1 8 . 1 1 75 75 LEU N N 75 118.357 118.357 120.677 -2.320 19427 3769 1 8 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.005 -0.094 19427 3770 1 8 . 1 1 75 75 LEU C C 75 175.022 175.022 176.063 -1.041 19427 3771 1 8 . 1 1 75 75 LEU CA C 75 52.632 52.632 53.190 -0.558 19427 3772 1 8 . 1 1 75 75 LEU CB C 75 47.158 47.158 44.088 3.070 19427 3773 1 8 . 1 1 75 75 LEU H H 75 6.898 6.898 7.542 -0.644 19427 3774 1 8 . 1 1 76 76 ASP N N 76 122.400 122.400 125.371 -2.971 19427 3775 1 8 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.453 0.150 19427 3776 1 8 . 1 1 76 76 ASP C C 76 176.384 176.384 177.473 -1.089 19427 3777 1 8 . 1 1 76 76 ASP CA C 76 54.383 54.383 55.171 -0.788 19427 3778 1 8 . 1 1 76 76 ASP CB C 76 43.227 43.227 42.790 0.437 19427 3779 1 8 . 1 1 76 76 ASP H H 76 8.412 8.412 8.293 0.119 19427 3780 1 8 . 1 1 77 77 ALA N N 77 123.828 123.828 129.707 -5.879 19427 3781 1 8 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.042 0.012 19427 3782 1 8 . 1 1 77 77 ALA C C 77 179.068 179.068 179.388 -0.320 19427 3783 1 8 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.835 -0.104 19427 3784 1 8 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.887 -0.138 19427 3785 1 8 . 1 1 77 77 ALA H H 77 8.601 8.601 8.761 -0.160 19427 3786 1 8 . 1 1 78 78 ASP N N 78 118.882 118.882 118.557 0.325 19427 3787 1 8 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.538 -0.025 19427 3788 1 8 . 1 1 78 78 ASP C C 78 174.868 174.868 177.643 -2.775 19427 3789 1 8 . 1 1 78 78 ASP CA C 78 56.278 56.278 55.880 0.398 19427 3790 1 8 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.768 0.140 19427 3791 1 8 . 1 1 78 78 ASP H H 78 8.791 8.791 8.710 0.081 19427 3792 1 8 . 1 1 79 79 ALA N N 79 121.027 121.027 122.545 -1.518 19427 3793 1 8 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.061 -0.060 19427 3794 1 8 . 1 1 79 79 ALA C C 79 178.803 178.803 179.422 -0.619 19427 3795 1 8 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.911 -0.520 19427 3796 1 8 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.265 1.655 19427 3797 1 8 . 1 1 79 79 ALA H H 79 8.287 8.287 7.689 0.598 19427 3798 1 8 . 1 1 80 80 ARG N N 80 115.805 115.805 118.149 -2.344 19427 3799 1 8 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.055 -0.131 19427 3800 1 8 . 1 1 80 80 ARG C C 80 178.254 178.254 178.003 0.251 19427 3801 1 8 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.554 0.675 19427 3802 1 8 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.107 1.150 19427 3803 1 8 . 1 1 80 80 ARG H H 80 7.689 7.689 7.546 0.143 19427 3804 1 8 . 1 1 81 81 ARG N N 81 117.554 117.554 119.119 -1.565 19427 3805 1 8 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.330 -0.124 19427 3806 1 8 . 1 1 81 81 ARG C C 81 177.214 177.214 178.226 -1.012 19427 3807 1 8 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.512 0.181 19427 3808 1 8 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.440 0.802 19427 3809 1 8 . 1 1 81 81 ARG H H 81 7.782 7.782 8.285 -0.503 19427 3810 1 8 . 1 1 82 82 ALA N N 82 121.590 121.590 120.932 0.658 19427 3811 1 8 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.228 0.051 19427 3812 1 8 . 1 1 82 82 ALA C C 82 177.798 177.798 178.386 -0.588 19427 3813 1 8 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.251 -0.996 19427 3814 1 8 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.230 0.333 19427 3815 1 8 . 1 1 82 82 ALA H H 82 7.875 7.875 7.756 0.119 19427 3816 1 8 . 1 1 83 83 VAL N N 83 114.483 114.483 113.470 1.013 19427 3817 1 8 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.173 -0.032 19427 3818 1 8 . 1 1 83 83 VAL C C 83 175.572 175.572 176.173 -0.601 19427 3819 1 8 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.730 -0.689 19427 3820 1 8 . 1 1 83 83 VAL CB C 83 32.781 32.781 33.065 -0.284 19427 3821 1 8 . 1 1 83 83 VAL H H 83 7.503 7.503 7.407 0.096 19427 3822 1 8 . 1 1 84 84 ALA N N 84 125.870 125.870 123.333 2.537 19427 3823 1 8 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.593 -0.272 19427 3824 1 8 . 1 1 84 84 ALA C C 84 177.696 177.696 175.816 1.880 19427 3825 1 8 . 1 1 84 84 ALA CA C 84 52.771 52.771 51.474 1.297 19427 3826 1 8 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.682 -1.170 19427 3827 1 8 . 1 1 84 84 ALA H H 84 7.876 7.876 7.813 0.063 19427 3828 1 8 . 1 1 85 85 SER N N 85 114.965 114.965 113.750 1.215 19427 3829 1 8 . 1 1 85 85 SER HA H 85 4.396 4.396 4.139 0.257 19427 3830 1 8 . 1 1 85 85 SER CA C 85 58.393 58.393 59.172 -0.779 19427 3831 1 8 . 1 1 85 85 SER CB C 85 63.915 63.915 62.729 1.186 19427 3832 1 8 . 1 1 85 85 SER H H 85 8.521 8.521 8.206 0.315 19427 3833 1 8 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.124 0.542 19427 3834 1 8 . 1 1 86 86 HIS C C 86 174.868 174.868 173.421 1.447 19427 3835 1 8 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.487 -0.166 19427 3836 1 8 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.220 0.092 19427 3837 1 8 . 1 1 87 87 ASP N N 87 121.205 121.205 123.946 -2.741 19427 3838 1 8 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.181 0.422 19427 3839 1 8 . 1 1 87 87 ASP C C 87 175.917 175.917 174.246 1.671 19427 3840 1 8 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.659 -0.082 19427 3841 1 8 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.972 0.284 19427 3842 1 8 . 1 1 87 87 ASP H H 87 8.326 8.326 7.829 0.497 19427 3843 1 8 . 1 1 88 88 GLU N N 88 121.167 121.167 121.243 -0.076 19427 3844 1 8 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.007 0.310 19427 3845 1 8 . 1 1 88 88 GLU C C 88 175.455 175.455 174.485 0.970 19427 3846 1 8 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.770 -0.398 19427 3847 1 8 . 1 1 88 88 GLU CB C 88 30.373 30.373 29.243 1.130 19427 3848 1 8 . 1 1 88 88 GLU H H 88 8.352 8.352 8.427 -0.075 19427 3849 1 9 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.347 0.054 19427 3850 1 9 . 1 1 5 5 PRO C C 5 176.334 176.334 175.889 0.445 19427 3851 1 9 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.070 -0.287 19427 3852 1 9 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.967 0.387 19427 3853 1 9 . 1 1 6 6 LYS N N 6 121.980 121.980 123.172 -1.192 19427 3854 1 9 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.415 -0.041 19427 3855 1 9 . 1 1 6 6 LYS C C 6 175.715 175.715 176.246 -0.531 19427 3856 1 9 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.547 0.625 19427 3857 1 9 . 1 1 6 6 LYS CB C 6 33.270 33.270 32.589 0.681 19427 3858 1 9 . 1 1 6 6 LYS H H 6 8.546 8.546 8.230 0.316 19427 3859 1 9 . 1 1 7 7 LEU N N 7 125.018 125.018 126.538 -1.520 19427 3860 1 9 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.670 -0.147 19427 3861 1 9 . 1 1 7 7 LEU C C 7 174.994 174.994 174.940 0.054 19427 3862 1 9 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.787 0.263 19427 3863 1 9 . 1 1 7 7 LEU CB C 7 43.171 43.171 44.418 -1.247 19427 3864 1 9 . 1 1 7 7 LEU H H 7 8.620 8.620 8.777 -0.157 19427 3865 1 9 . 1 1 8 8 VAL N N 8 121.522 121.522 123.247 -1.725 19427 3866 1 9 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.839 -0.292 19427 3867 1 9 . 1 1 8 8 VAL C C 8 175.042 175.042 174.844 0.198 19427 3868 1 9 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.679 0.527 19427 3869 1 9 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.410 2.186 19427 3870 1 9 . 1 1 8 8 VAL H H 8 8.084 8.084 8.659 -0.576 19427 3871 1 9 . 1 1 9 9 LEU N N 9 126.312 126.312 129.529 -3.217 19427 3872 1 9 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.110 -0.170 19427 3873 1 9 . 1 1 9 9 LEU C C 9 175.831 175.831 174.860 0.971 19427 3874 1 9 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.071 0.476 19427 3875 1 9 . 1 1 9 9 LEU CB C 9 44.233 44.233 45.145 -0.912 19427 3876 1 9 . 1 1 9 9 LEU H H 9 9.137 9.137 9.069 0.068 19427 3877 1 9 . 1 1 10 10 ASP N N 10 123.236 123.236 127.192 -3.956 19427 3878 1 9 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.857 -0.009 19427 3879 1 9 . 1 1 10 10 ASP C C 10 176.685 176.685 176.833 -0.148 19427 3880 1 9 . 1 1 10 10 ASP CA C 10 53.593 53.593 53.810 -0.217 19427 3881 1 9 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.356 -0.536 19427 3882 1 9 . 1 1 10 10 ASP H H 10 9.002 9.002 8.747 0.255 19427 3883 1 9 . 1 1 11 11 LEU N N 11 124.059 124.059 126.048 -1.989 19427 3884 1 9 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.196 -0.130 19427 3885 1 9 . 1 1 11 11 LEU C C 11 180.169 180.169 178.611 1.558 19427 3886 1 9 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.071 -0.058 19427 3887 1 9 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.137 -1.287 19427 3888 1 9 . 1 1 11 11 LEU H H 11 8.273 8.273 8.716 -0.443 19427 3889 1 9 . 1 1 12 12 GLU N N 12 121.967 121.967 119.306 2.661 19427 3890 1 9 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.071 0.103 19427 3891 1 9 . 1 1 12 12 GLU C C 12 179.719 179.719 178.813 0.906 19427 3892 1 9 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.210 0.418 19427 3893 1 9 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.528 0.032 19427 3894 1 9 . 1 1 12 12 GLU H H 12 8.273 8.273 8.304 -0.031 19427 3895 1 9 . 1 1 13 13 ARG N N 13 119.595 119.595 119.986 -0.391 19427 3896 1 9 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.149 0.023 19427 3897 1 9 . 1 1 13 13 ARG C C 13 179.909 179.909 178.457 1.452 19427 3898 1 9 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.845 -0.534 19427 3899 1 9 . 1 1 13 13 ARG CB C 13 29.555 29.555 30.006 -0.451 19427 3900 1 9 . 1 1 13 13 ARG H H 13 8.081 8.081 9.055 -0.974 19427 3901 1 9 . 1 1 14 14 LEU N N 14 120.325 120.325 119.752 0.573 19427 3902 1 9 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.103 -0.156 19427 3903 1 9 . 1 1 14 14 LEU C C 14 177.166 177.166 178.844 -1.678 19427 3904 1 9 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.703 -0.129 19427 3905 1 9 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.655 0.143 19427 3906 1 9 . 1 1 14 14 LEU H H 14 8.205 8.205 7.565 0.640 19427 3907 1 9 . 1 1 15 15 ALA N N 15 117.835 117.835 119.699 -1.864 19427 3908 1 9 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.260 -0.135 19427 3909 1 9 . 1 1 15 15 ALA C C 15 178.500 178.500 178.278 0.222 19427 3910 1 9 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.504 -0.184 19427 3911 1 9 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.737 -0.025 19427 3912 1 9 . 1 1 15 15 ALA H H 15 7.265 7.265 7.801 -0.536 19427 3913 1 9 . 1 1 16 16 THR N N 16 105.967 105.967 108.581 -2.614 19427 3914 1 9 . 1 1 16 16 THR HA H 16 4.378 4.378 4.274 0.104 19427 3915 1 9 . 1 1 16 16 THR C C 16 174.639 174.639 175.152 -0.513 19427 3916 1 9 . 1 1 16 16 THR CA C 16 61.642 61.642 61.601 0.041 19427 3917 1 9 . 1 1 16 16 THR CB C 16 69.957 69.957 69.499 0.458 19427 3918 1 9 . 1 1 16 16 THR H H 16 7.530 7.530 7.321 0.209 19427 3919 1 9 . 1 1 17 17 VAL N N 17 126.962 126.962 124.907 2.055 19427 3920 1 9 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.079 -0.094 19427 3921 1 9 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.260 1.275 19427 3922 1 9 . 1 1 17 17 VAL CB C 17 32.388 32.388 30.988 1.400 19427 3923 1 9 . 1 1 17 17 VAL H H 17 7.208 7.208 7.329 -0.121 19427 3924 1 9 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.206 0.062 19427 3925 1 9 . 1 1 18 18 PRO C C 18 178.094 178.094 177.200 0.894 19427 3926 1 9 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.558 0.290 19427 3927 1 9 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.315 0.396 19427 3928 1 9 . 1 1 19 19 ALA N N 19 128.383 128.383 127.997 0.386 19427 3929 1 9 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.003 -0.059 19427 3930 1 9 . 1 1 19 19 ALA C C 19 180.008 180.008 179.631 0.377 19427 3931 1 9 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.655 0.662 19427 3932 1 9 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.570 0.344 19427 3933 1 9 . 1 1 19 19 ALA H H 19 8.872 8.872 8.589 0.283 19427 3934 1 9 . 1 1 20 20 GLU N N 20 118.522 118.522 117.764 0.758 19427 3935 1 9 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.064 0.050 19427 3936 1 9 . 1 1 20 20 GLU C C 20 177.573 177.573 177.749 -0.176 19427 3937 1 9 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.670 0.966 19427 3938 1 9 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.008 -0.170 19427 3939 1 9 . 1 1 20 20 GLU H H 20 9.459 9.459 8.769 0.690 19427 3940 1 9 . 1 1 21 21 LYS N N 21 115.147 115.147 116.985 -1.838 19427 3941 1 9 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.333 0.319 19427 3942 1 9 . 1 1 21 21 LYS C C 21 177.045 177.045 177.370 -0.325 19427 3943 1 9 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.234 -0.247 19427 3944 1 9 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.720 0.232 19427 3945 1 9 . 1 1 21 21 LYS H H 21 7.441 7.441 7.604 -0.163 19427 3946 1 9 . 1 1 22 22 ALA N N 22 119.898 119.898 119.982 -0.084 19427 3947 1 9 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.421 -0.277 19427 3948 1 9 . 1 1 22 22 ALA C C 22 177.520 177.520 178.921 -1.401 19427 3949 1 9 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.485 0.696 19427 3950 1 9 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.817 1.414 19427 3951 1 9 . 1 1 22 22 ALA H H 22 8.096 8.096 8.016 0.080 19427 3952 1 9 . 1 1 23 23 GLY N N 23 107.148 107.148 108.845 -1.697 19427 3953 1 9 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.056 0.956 19427 3954 1 9 . 1 1 23 23 GLY H H 23 8.484 8.484 7.795 0.689 19427 3955 1 9 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.359 -0.185 19427 3956 1 9 . 1 1 24 24 PRO C C 24 179.318 179.318 178.202 1.116 19427 3957 1 9 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.283 0.670 19427 3958 1 9 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.402 -0.031 19427 3959 1 9 . 1 1 25 25 LEU N N 25 118.416 118.416 119.793 -1.377 19427 3960 1 9 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.441 -0.085 19427 3961 1 9 . 1 1 25 25 LEU C C 25 177.871 177.871 178.902 -1.031 19427 3962 1 9 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.269 0.666 19427 3963 1 9 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.950 0.400 19427 3964 1 9 . 1 1 25 25 LEU H H 25 7.394 7.394 7.757 -0.363 19427 3965 1 9 . 1 1 26 26 GLN N N 26 119.819 119.819 118.999 0.820 19427 3966 1 9 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.970 -0.076 19427 3967 1 9 . 1 1 26 26 GLN C C 26 179.865 179.865 178.680 1.185 19427 3968 1 9 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.493 0.278 19427 3969 1 9 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.401 -0.847 19427 3970 1 9 . 1 1 26 26 GLN H H 26 8.885 8.885 8.658 0.227 19427 3971 1 9 . 1 1 27 27 ARG N N 27 119.761 119.761 119.468 0.293 19427 3972 1 9 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.108 0.033 19427 3973 1 9 . 1 1 27 27 ARG C C 27 178.950 178.950 178.490 0.460 19427 3974 1 9 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.348 1.288 19427 3975 1 9 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.591 0.825 19427 3976 1 9 . 1 1 27 27 ARG H H 27 8.694 8.694 7.888 0.806 19427 3977 1 9 . 1 1 28 28 TYR N N 28 122.540 122.540 121.780 0.760 19427 3978 1 9 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.123 0.048 19427 3979 1 9 . 1 1 28 28 TYR C C 28 177.843 177.843 177.212 0.631 19427 3980 1 9 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.694 0.584 19427 3981 1 9 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.316 1.397 19427 3982 1 9 . 1 1 28 28 TYR H H 28 8.211 8.211 8.144 0.067 19427 3983 1 9 . 1 1 29 29 ALA N N 29 120.477 120.477 120.788 -0.311 19427 3984 1 9 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.921 -0.159 19427 3985 1 9 . 1 1 29 29 ALA C C 29 178.739 178.739 179.411 -0.672 19427 3986 1 9 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.127 0.058 19427 3987 1 9 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.080 -0.151 19427 3988 1 9 . 1 1 29 29 ALA H H 29 9.065 9.065 8.588 0.477 19427 3989 1 9 . 1 1 30 30 ALA N N 30 118.596 118.596 120.234 -1.638 19427 3990 1 9 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.232 0.055 19427 3991 1 9 . 1 1 30 30 ALA C C 30 180.895 180.895 179.586 1.309 19427 3992 1 9 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.852 0.224 19427 3993 1 9 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.276 -0.190 19427 3994 1 9 . 1 1 30 30 ALA H H 30 7.741 7.741 8.450 -0.709 19427 3995 1 9 . 1 1 31 31 THR N N 31 116.024 116.024 113.075 2.949 19427 3996 1 9 . 1 1 31 31 THR HA H 31 3.995 3.995 4.100 -0.105 19427 3997 1 9 . 1 1 31 31 THR C C 31 176.687 176.687 175.650 1.037 19427 3998 1 9 . 1 1 31 31 THR CA C 31 66.452 66.452 66.152 0.300 19427 3999 1 9 . 1 1 31 31 THR CB C 31 68.867 68.867 68.704 0.163 19427 4000 1 9 . 1 1 31 31 THR H H 31 7.914 7.914 7.688 0.226 19427 4001 1 9 . 1 1 32 32 ILE N N 32 121.094 121.094 120.877 0.217 19427 4002 1 9 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.861 -0.046 19427 4003 1 9 . 1 1 32 32 ILE C C 32 178.583 178.583 177.474 1.109 19427 4004 1 9 . 1 1 32 32 ILE CA C 32 64.153 64.153 61.106 3.047 19427 4005 1 9 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.872 0.068 19427 4006 1 9 . 1 1 32 32 ILE H H 32 7.846 7.846 7.473 0.373 19427 4007 1 9 . 1 1 33 33 GLN N N 33 119.832 119.832 119.913 -0.081 19427 4008 1 9 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.092 -0.253 19427 4009 1 9 . 1 1 33 33 GLN C C 33 178.264 178.264 179.019 -0.755 19427 4010 1 9 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.289 0.569 19427 4011 1 9 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.425 0.939 19427 4012 1 9 . 1 1 33 33 GLN H H 33 8.374 8.374 8.523 -0.149 19427 4013 1 9 . 1 1 34 34 SER N N 34 112.726 112.726 113.940 -1.214 19427 4014 1 9 . 1 1 34 34 SER HA H 34 4.333 4.333 4.118 0.215 19427 4015 1 9 . 1 1 34 34 SER C C 34 176.817 176.817 177.147 -0.330 19427 4016 1 9 . 1 1 34 34 SER CA C 34 60.915 60.915 60.894 0.021 19427 4017 1 9 . 1 1 34 34 SER CB C 34 63.235 63.235 62.771 0.464 19427 4018 1 9 . 1 1 34 34 SER H H 34 7.816 7.816 8.056 -0.240 19427 4019 1 9 . 1 1 35 35 GLN N N 35 120.724 120.724 120.859 -0.135 19427 4020 1 9 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.233 -0.039 19427 4021 1 9 . 1 1 35 35 GLN C C 35 177.930 177.930 177.611 0.319 19427 4022 1 9 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.629 0.480 19427 4023 1 9 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.531 0.657 19427 4024 1 9 . 1 1 35 35 GLN H H 35 8.034 8.034 7.713 0.321 19427 4025 1 9 . 1 1 36 36 ARG N N 36 116.267 116.267 118.571 -2.304 19427 4026 1 9 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.384 0.014 19427 4027 1 9 . 1 1 36 36 ARG C C 36 177.013 177.013 176.298 0.715 19427 4028 1 9 . 1 1 36 36 ARG CA C 36 56.424 56.424 55.191 1.233 19427 4029 1 9 . 1 1 36 36 ARG CB C 36 31.418 31.418 29.948 1.470 19427 4030 1 9 . 1 1 36 36 ARG H H 36 8.091 8.091 7.816 0.275 19427 4031 1 9 . 1 1 37 37 GLY N N 37 109.299 109.299 107.616 1.683 19427 4032 1 9 . 1 1 37 37 GLY C C 37 173.661 173.661 174.947 -1.286 19427 4033 1 9 . 1 1 37 37 GLY CA C 37 46.270 46.270 44.621 1.649 19427 4034 1 9 . 1 1 37 37 GLY H H 37 7.972 7.972 7.539 0.433 19427 4035 1 9 . 1 1 38 38 ASP N N 38 119.246 119.246 120.099 -0.853 19427 4036 1 9 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.041 0.674 19427 4037 1 9 . 1 1 38 38 ASP C C 38 175.405 175.405 174.970 0.435 19427 4038 1 9 . 1 1 38 38 ASP CA C 38 53.171 53.171 57.941 -4.769 19427 4039 1 9 . 1 1 38 38 ASP CB C 38 41.640 41.640 39.744 1.896 19427 4040 1 9 . 1 1 38 38 ASP H H 38 7.838 7.838 8.911 -1.073 19427 4041 1 9 . 1 1 39 39 TYR N N 39 121.210 121.210 118.227 2.983 19427 4042 1 9 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.478 0.049 19427 4043 1 9 . 1 1 39 39 TYR C C 39 176.937 176.937 177.147 -0.210 19427 4044 1 9 . 1 1 39 39 TYR CA C 39 58.128 58.128 59.087 -0.959 19427 4045 1 9 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.645 -0.057 19427 4046 1 9 . 1 1 39 39 TYR H H 39 8.202 8.202 8.004 0.199 19427 4047 1 9 . 1 1 40 40 ASN N N 40 120.622 120.622 120.288 0.334 19427 4048 1 9 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.732 -0.113 19427 4049 1 9 . 1 1 40 40 ASN C C 40 175.853 175.853 174.506 1.347 19427 4050 1 9 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.973 1.410 19427 4051 1 9 . 1 1 40 40 ASN CB C 40 39.506 39.506 36.921 2.585 19427 4052 1 9 . 1 1 40 40 ASN H H 40 8.393 8.393 8.502 -0.109 19427 4053 1 9 . 1 1 41 41 GLY N N 41 107.971 107.971 108.158 -0.187 19427 4054 1 9 . 1 1 41 41 GLY C C 41 173.926 173.926 174.285 -0.359 19427 4055 1 9 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.013 0.917 19427 4056 1 9 . 1 1 41 41 GLY H H 41 8.103 8.103 8.231 -0.128 19427 4057 1 9 . 1 1 42 42 LYS N N 42 119.472 119.472 119.089 0.383 19427 4058 1 9 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.268 0.221 19427 4059 1 9 . 1 1 42 42 LYS C C 42 176.201 176.201 175.699 0.502 19427 4060 1 9 . 1 1 42 42 LYS CA C 42 57.709 57.709 58.806 -1.097 19427 4061 1 9 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.521 0.824 19427 4062 1 9 . 1 1 42 42 LYS H H 42 8.652 8.652 7.577 1.075 19427 4063 1 9 . 1 1 43 43 VAL N N 43 112.852 112.852 112.897 -0.045 19427 4064 1 9 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.093 0.237 19427 4065 1 9 . 1 1 43 43 VAL C C 43 174.906 174.906 174.556 0.350 19427 4066 1 9 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.445 -0.181 19427 4067 1 9 . 1 1 43 43 VAL CB C 43 35.953 35.953 33.826 2.127 19427 4068 1 9 . 1 1 43 43 VAL H H 43 7.840 7.840 7.463 0.377 19427 4069 1 9 . 1 1 44 44 LEU N N 44 123.642 123.642 128.777 -5.135 19427 4070 1 9 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.977 -0.188 19427 4071 1 9 . 1 1 44 44 LEU C C 44 175.260 175.260 175.938 -0.678 19427 4072 1 9 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.191 0.684 19427 4073 1 9 . 1 1 44 44 LEU CB C 44 47.498 47.498 44.057 3.441 19427 4074 1 9 . 1 1 44 44 LEU H H 44 8.610 8.610 9.301 -0.691 19427 4075 1 9 . 1 1 45 45 SER N N 45 124.267 124.267 124.777 -0.510 19427 4076 1 9 . 1 1 45 45 SER HA H 45 5.052 5.052 4.925 0.127 19427 4077 1 9 . 1 1 45 45 SER C C 45 174.246 174.246 173.920 0.326 19427 4078 1 9 . 1 1 45 45 SER CA C 45 58.852 58.852 57.824 1.028 19427 4079 1 9 . 1 1 45 45 SER CB C 45 63.509 63.509 62.270 1.239 19427 4080 1 9 . 1 1 45 45 SER H H 45 9.111 9.111 9.318 -0.207 19427 4081 1 9 . 1 1 46 46 ILE N N 46 118.924 118.924 121.675 -2.751 19427 4082 1 9 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.717 0.063 19427 4083 1 9 . 1 1 46 46 ILE C C 46 174.199 174.199 174.386 -0.187 19427 4084 1 9 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.742 0.860 19427 4085 1 9 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.784 0.811 19427 4086 1 9 . 1 1 46 46 ILE H H 46 8.542 8.542 8.989 -0.447 19427 4087 1 9 . 1 1 47 47 ARG N N 47 119.572 119.572 119.219 0.353 19427 4088 1 9 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.820 0.045 19427 4089 1 9 . 1 1 47 47 ARG C C 47 178.511 178.511 178.000 0.511 19427 4090 1 9 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.729 -0.221 19427 4091 1 9 . 1 1 47 47 ARG CB C 47 33.318 33.318 32.101 1.217 19427 4092 1 9 . 1 1 47 47 ARG H H 47 9.488 9.488 8.542 0.946 19427 4093 1 9 . 1 1 48 48 GLN N N 48 122.809 122.809 121.165 1.644 19427 4094 1 9 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.003 -0.185 19427 4095 1 9 . 1 1 48 48 GLN C C 48 178.972 178.972 177.093 1.879 19427 4096 1 9 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.004 1.523 19427 4097 1 9 . 1 1 48 48 GLN CB C 48 28.284 28.284 27.861 0.423 19427 4098 1 9 . 1 1 48 48 GLN H H 48 9.350 9.350 8.862 0.488 19427 4099 1 9 . 1 1 49 49 ASP N N 49 115.682 115.682 120.463 -4.781 19427 4100 1 9 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.363 -0.003 19427 4101 1 9 . 1 1 49 49 ASP C C 49 178.758 178.758 177.820 0.938 19427 4102 1 9 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.692 -0.335 19427 4103 1 9 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.692 -0.209 19427 4104 1 9 . 1 1 49 49 ASP H H 49 8.855 8.855 8.581 0.274 19427 4105 1 9 . 1 1 50 50 ASP N N 50 117.926 117.926 119.686 -1.760 19427 4106 1 9 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.552 0.060 19427 4107 1 9 . 1 1 50 50 ASP C C 50 177.865 177.865 178.306 -0.441 19427 4108 1 9 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.392 0.683 19427 4109 1 9 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.254 0.385 19427 4110 1 9 . 1 1 50 50 ASP H H 50 7.519 7.519 7.581 -0.062 19427 4111 1 9 . 1 1 51 51 LEU N N 51 118.893 118.893 121.521 -2.628 19427 4112 1 9 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.950 -0.038 19427 4113 1 9 . 1 1 51 51 LEU C C 51 178.254 178.254 178.163 0.091 19427 4114 1 9 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.873 0.257 19427 4115 1 9 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.953 -0.556 19427 4116 1 9 . 1 1 51 51 LEU H H 51 7.444 7.444 7.467 -0.023 19427 4117 1 9 . 1 1 52 52 ARG N N 52 117.366 117.366 118.327 -0.961 19427 4118 1 9 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.953 -0.043 19427 4119 1 9 . 1 1 52 52 ARG C C 52 178.886 178.886 178.962 -0.076 19427 4120 1 9 . 1 1 52 52 ARG CA C 52 60.285 60.285 58.696 1.589 19427 4121 1 9 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.452 0.366 19427 4122 1 9 . 1 1 52 52 ARG H H 52 7.757 7.757 8.199 -0.442 19427 4123 1 9 . 1 1 53 53 THR N N 53 118.266 118.266 117.361 0.905 19427 4124 1 9 . 1 1 53 53 THR HA H 53 3.924 3.924 3.934 -0.010 19427 4125 1 9 . 1 1 53 53 THR C C 53 176.626 176.626 176.629 -0.003 19427 4126 1 9 . 1 1 53 53 THR CA C 53 67.001 67.001 66.320 0.681 19427 4127 1 9 . 1 1 53 53 THR CB C 53 68.759 68.759 68.588 0.171 19427 4128 1 9 . 1 1 53 53 THR H H 53 7.973 7.973 7.596 0.377 19427 4129 1 9 . 1 1 54 54 LEU N N 54 122.030 122.030 121.401 0.629 19427 4130 1 9 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.419 0.390 19427 4131 1 9 . 1 1 54 54 LEU C C 54 177.755 177.755 178.405 -0.650 19427 4132 1 9 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.797 0.026 19427 4133 1 9 . 1 1 54 54 LEU CB C 54 43.089 43.089 41.258 1.831 19427 4134 1 9 . 1 1 54 54 LEU H H 54 8.355 8.355 7.758 0.597 19427 4135 1 9 . 1 1 55 55 ALA N N 55 122.634 122.634 120.103 2.531 19427 4136 1 9 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.995 -0.103 19427 4137 1 9 . 1 1 55 55 ALA C C 55 179.192 179.192 179.141 0.051 19427 4138 1 9 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.168 1.337 19427 4139 1 9 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.104 -0.940 19427 4140 1 9 . 1 1 55 55 ALA H H 55 8.195 8.195 7.937 0.258 19427 4141 1 9 . 1 1 56 56 VAL N N 56 118.079 118.079 118.636 -0.557 19427 4142 1 9 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.674 0.187 19427 4143 1 9 . 1 1 56 56 VAL C C 56 180.389 180.389 178.428 1.961 19427 4144 1 9 . 1 1 56 56 VAL CA C 56 66.587 66.587 66.597 -0.010 19427 4145 1 9 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.746 -0.053 19427 4146 1 9 . 1 1 56 56 VAL H H 56 7.402 7.402 7.150 0.252 19427 4147 1 9 . 1 1 57 57 ILE N N 57 122.536 122.536 120.371 2.165 19427 4148 1 9 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.556 0.048 19427 4149 1 9 . 1 1 57 57 ILE C C 57 177.942 177.942 176.919 1.023 19427 4150 1 9 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.567 1.276 19427 4151 1 9 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.508 0.878 19427 4152 1 9 . 1 1 57 57 ILE H H 57 7.893 7.893 7.311 0.582 19427 4153 1 9 . 1 1 58 58 TYR N N 58 117.060 117.060 113.866 3.194 19427 4154 1 9 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.637 -0.506 19427 4155 1 9 . 1 1 58 58 TYR C C 58 174.728 174.728 175.298 -0.570 19427 4156 1 9 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.956 4.808 19427 4157 1 9 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.823 1.204 19427 4158 1 9 . 1 1 58 58 TYR H H 58 8.319 8.319 7.219 1.100 19427 4159 1 9 . 1 1 59 59 ASP N N 59 122.545 122.545 121.024 1.521 19427 4160 1 9 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.263 0.087 19427 4161 1 9 . 1 1 59 59 ASP C C 59 174.853 174.853 174.774 0.079 19427 4162 1 9 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.572 -0.459 19427 4163 1 9 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.907 -0.095 19427 4164 1 9 . 1 1 59 59 ASP H H 59 8.177 8.177 7.855 0.322 19427 4165 1 9 . 1 1 60 60 GLN N N 60 116.007 116.007 119.524 -3.517 19427 4166 1 9 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.602 0.128 19427 4167 1 9 . 1 1 60 60 GLN C C 60 174.853 174.853 173.908 0.945 19427 4168 1 9 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.328 -0.815 19427 4169 1 9 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.482 1.902 19427 4170 1 9 . 1 1 60 60 GLN H H 60 8.424 8.424 8.172 0.252 19427 4171 1 9 . 1 1 61 61 SER N N 61 116.009 116.009 119.470 -3.461 19427 4172 1 9 . 1 1 61 61 SER HA H 61 4.783 4.783 4.640 0.143 19427 4173 1 9 . 1 1 61 61 SER CA C 61 56.443 56.443 55.307 1.136 19427 4174 1 9 . 1 1 61 61 SER CB C 61 62.811 62.811 63.918 -1.107 19427 4175 1 9 . 1 1 61 61 SER H H 61 8.424 8.424 8.731 -0.307 19427 4176 1 9 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.163 -0.127 19427 4177 1 9 . 1 1 62 62 PRO C C 62 179.161 179.161 178.308 0.853 19427 4178 1 9 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.222 1.274 19427 4179 1 9 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.752 0.028 19427 4180 1 9 . 1 1 63 63 SER N N 63 114.103 114.103 113.992 0.111 19427 4181 1 9 . 1 1 63 63 SER HA H 63 4.838 4.838 4.097 0.741 19427 4182 1 9 . 1 1 63 63 SER C C 63 176.141 176.141 176.500 -0.359 19427 4183 1 9 . 1 1 63 63 SER CB C 63 62.293 62.293 62.644 -0.351 19427 4184 1 9 . 1 1 63 63 SER H H 63 8.596 8.596 7.686 0.910 19427 4185 1 9 . 1 1 64 64 VAL N N 64 125.461 125.461 122.639 2.822 19427 4186 1 9 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.698 -0.137 19427 4187 1 9 . 1 1 64 64 VAL C C 64 178.754 178.754 177.885 0.869 19427 4188 1 9 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.613 0.819 19427 4189 1 9 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.517 0.500 19427 4190 1 9 . 1 1 64 64 VAL H H 64 7.381 7.381 7.347 0.034 19427 4191 1 9 . 1 1 65 65 LEU N N 65 121.843 121.843 121.265 0.578 19427 4192 1 9 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.924 -0.025 19427 4193 1 9 . 1 1 65 65 LEU C C 65 178.836 178.836 178.713 0.123 19427 4194 1 9 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.646 -1.334 19427 4195 1 9 . 1 1 65 65 LEU CB C 65 41.255 41.255 41.019 0.236 19427 4196 1 9 . 1 1 65 65 LEU H H 65 8.437 8.437 8.633 -0.196 19427 4197 1 9 . 1 1 66 66 THR N N 66 115.794 115.794 115.615 0.179 19427 4198 1 9 . 1 1 66 66 THR HA H 66 3.321 3.321 3.793 -0.472 19427 4199 1 9 . 1 1 66 66 THR C C 66 175.591 175.591 176.589 -0.998 19427 4200 1 9 . 1 1 66 66 THR CA C 66 69.056 69.056 67.475 1.581 19427 4201 1 9 . 1 1 66 66 THR CB C 66 67.992 67.992 68.552 -0.560 19427 4202 1 9 . 1 1 66 66 THR H H 66 8.079 8.079 8.268 -0.189 19427 4203 1 9 . 1 1 67 67 GLU N N 67 118.543 118.543 121.082 -2.539 19427 4204 1 9 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.877 -0.036 19427 4205 1 9 . 1 1 67 67 GLU C C 67 179.342 179.342 179.006 0.336 19427 4206 1 9 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.516 -0.291 19427 4207 1 9 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.265 -0.344 19427 4208 1 9 . 1 1 67 67 GLU H H 67 7.594 7.594 7.884 -0.290 19427 4209 1 9 . 1 1 68 68 GLN N N 68 120.882 120.882 119.136 1.746 19427 4210 1 9 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.553 0.147 19427 4211 1 9 . 1 1 68 68 GLN C C 68 177.403 177.403 177.932 -0.529 19427 4212 1 9 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.017 0.376 19427 4213 1 9 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.683 0.691 19427 4214 1 9 . 1 1 68 68 GLN H H 68 7.847 7.847 8.194 -0.347 19427 4215 1 9 . 1 1 69 69 LEU N N 69 118.421 118.421 120.107 -1.686 19427 4216 1 9 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.815 -0.342 19427 4217 1 9 . 1 1 69 69 LEU C C 69 180.177 180.177 179.029 1.148 19427 4218 1 9 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.961 0.452 19427 4219 1 9 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.246 -0.275 19427 4220 1 9 . 1 1 69 69 LEU H H 69 7.986 7.986 7.438 0.548 19427 4221 1 9 . 1 1 70 70 ILE N N 70 121.346 121.346 119.135 2.211 19427 4222 1 9 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.950 0.210 19427 4223 1 9 . 1 1 70 70 ILE C C 70 180.910 180.910 178.549 2.361 19427 4224 1 9 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.593 0.457 19427 4225 1 9 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.798 0.547 19427 4226 1 9 . 1 1 70 70 ILE H H 70 8.262 8.262 7.909 0.353 19427 4227 1 9 . 1 1 71 71 SER N N 71 120.236 120.236 114.969 5.267 19427 4228 1 9 . 1 1 71 71 SER HA H 71 4.273 4.273 4.233 0.040 19427 4229 1 9 . 1 1 71 71 SER C C 71 177.045 177.045 175.647 1.398 19427 4230 1 9 . 1 1 71 71 SER CA C 71 62.544 62.544 61.361 1.183 19427 4231 1 9 . 1 1 71 71 SER CB C 71 62.839 62.839 62.925 -0.086 19427 4232 1 9 . 1 1 71 71 SER H H 71 8.388 8.388 7.780 0.608 19427 4233 1 9 . 1 1 72 72 TRP N N 72 119.364 119.364 119.250 0.114 19427 4234 1 9 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.790 0.136 19427 4235 1 9 . 1 1 72 72 TRP C C 72 176.839 176.839 176.793 0.046 19427 4236 1 9 . 1 1 72 72 TRP CA C 72 55.764 55.764 56.655 -0.891 19427 4237 1 9 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.173 2.091 19427 4238 1 9 . 1 1 72 72 TRP H H 72 8.066 8.066 7.591 0.475 19427 4239 1 9 . 1 1 73 73 GLY N N 73 106.514 106.514 105.633 0.881 19427 4240 1 9 . 1 1 73 73 GLY C C 73 174.697 174.697 174.669 0.028 19427 4241 1 9 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.535 -0.132 19427 4242 1 9 . 1 1 73 73 GLY H H 73 8.242 8.242 7.395 0.847 19427 4243 1 9 . 1 1 74 74 VAL N N 74 114.793 114.793 112.096 2.697 19427 4244 1 9 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.446 -0.249 19427 4245 1 9 . 1 1 74 74 VAL C C 74 174.015 174.015 174.119 -0.104 19427 4246 1 9 . 1 1 74 74 VAL CA C 74 63.113 63.113 61.712 1.401 19427 4247 1 9 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.885 -0.036 19427 4248 1 9 . 1 1 74 74 VAL H H 74 7.834 7.834 8.366 -0.532 19427 4249 1 9 . 1 1 75 75 LEU N N 75 118.357 118.357 120.833 -2.476 19427 4250 1 9 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.873 0.038 19427 4251 1 9 . 1 1 75 75 LEU C C 75 175.022 175.022 174.900 0.122 19427 4252 1 9 . 1 1 75 75 LEU CA C 75 52.632 52.632 53.800 -1.167 19427 4253 1 9 . 1 1 75 75 LEU CB C 75 47.158 47.158 46.142 1.016 19427 4254 1 9 . 1 1 75 75 LEU H H 75 6.898 6.898 7.348 -0.450 19427 4255 1 9 . 1 1 76 76 ASP N N 76 122.400 122.400 122.907 -0.507 19427 4256 1 9 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.797 -0.194 19427 4257 1 9 . 1 1 76 76 ASP C C 76 176.384 176.384 177.154 -0.770 19427 4258 1 9 . 1 1 76 76 ASP CA C 76 54.383 54.383 52.900 1.483 19427 4259 1 9 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.713 -0.486 19427 4260 1 9 . 1 1 76 76 ASP H H 76 8.412 8.412 8.864 -0.452 19427 4261 1 9 . 1 1 77 77 ALA N N 77 123.828 123.828 126.281 -2.453 19427 4262 1 9 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.114 -0.060 19427 4263 1 9 . 1 1 77 77 ALA C C 77 179.068 179.068 179.071 -0.003 19427 4264 1 9 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.560 0.170 19427 4265 1 9 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.748 0.001 19427 4266 1 9 . 1 1 77 77 ALA H H 77 8.601 8.601 8.586 0.015 19427 4267 1 9 . 1 1 78 78 ASP N N 78 118.882 118.882 119.522 -0.640 19427 4268 1 9 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.430 0.083 19427 4269 1 9 . 1 1 78 78 ASP C C 78 174.868 174.868 177.758 -2.890 19427 4270 1 9 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.419 -0.141 19427 4271 1 9 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.908 0.000 19427 4272 1 9 . 1 1 78 78 ASP H H 78 8.791 8.791 8.767 0.024 19427 4273 1 9 . 1 1 79 79 ALA N N 79 121.027 121.027 122.303 -1.276 19427 4274 1 9 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.040 -0.039 19427 4275 1 9 . 1 1 79 79 ALA C C 79 178.803 178.803 179.409 -0.606 19427 4276 1 9 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.650 -0.259 19427 4277 1 9 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.510 1.410 19427 4278 1 9 . 1 1 79 79 ALA H H 79 8.287 8.287 7.565 0.722 19427 4279 1 9 . 1 1 80 80 ARG N N 80 115.805 115.805 117.272 -1.467 19427 4280 1 9 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.015 -0.091 19427 4281 1 9 . 1 1 80 80 ARG C C 80 178.254 178.254 178.514 -0.260 19427 4282 1 9 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.783 0.446 19427 4283 1 9 . 1 1 80 80 ARG CB C 80 30.257 30.257 30.032 0.225 19427 4284 1 9 . 1 1 80 80 ARG H H 80 7.689 7.689 7.498 0.191 19427 4285 1 9 . 1 1 81 81 ARG N N 81 117.554 117.554 117.485 0.069 19427 4286 1 9 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.198 0.008 19427 4287 1 9 . 1 1 81 81 ARG C C 81 177.214 177.214 177.650 -0.436 19427 4288 1 9 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.966 -0.273 19427 4289 1 9 . 1 1 81 81 ARG CB C 81 30.242 30.242 30.068 0.174 19427 4290 1 9 . 1 1 81 81 ARG H H 81 7.782 7.782 7.760 0.022 19427 4291 1 9 . 1 1 82 82 ALA N N 82 121.590 121.590 122.315 -0.725 19427 4292 1 9 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.246 0.033 19427 4293 1 9 . 1 1 82 82 ALA C C 82 177.798 177.798 178.158 -0.360 19427 4294 1 9 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.332 -1.077 19427 4295 1 9 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.162 0.401 19427 4296 1 9 . 1 1 82 82 ALA H H 82 7.875 7.875 7.807 0.068 19427 4297 1 9 . 1 1 83 83 VAL N N 83 114.483 114.483 118.462 -3.979 19427 4298 1 9 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.150 -0.009 19427 4299 1 9 . 1 1 83 83 VAL C C 83 175.572 175.572 174.693 0.879 19427 4300 1 9 . 1 1 83 83 VAL CA C 83 62.041 62.041 61.576 0.465 19427 4301 1 9 . 1 1 83 83 VAL CB C 83 32.781 32.781 30.239 2.542 19427 4302 1 9 . 1 1 83 83 VAL H H 83 7.503 7.503 7.419 0.084 19427 4303 1 9 . 1 1 84 84 ALA N N 84 125.870 125.870 126.684 -0.814 19427 4304 1 9 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.663 -0.342 19427 4305 1 9 . 1 1 84 84 ALA C C 84 177.696 177.696 176.559 1.137 19427 4306 1 9 . 1 1 84 84 ALA CA C 84 52.771 52.771 50.856 1.915 19427 4307 1 9 . 1 1 84 84 ALA CB C 84 19.512 19.512 21.017 -1.506 19427 4308 1 9 . 1 1 84 84 ALA H H 84 7.876 7.876 7.575 0.301 19427 4309 1 9 . 1 1 85 85 SER N N 85 114.965 114.965 116.176 -1.211 19427 4310 1 9 . 1 1 85 85 SER HA H 85 4.396 4.396 4.556 -0.160 19427 4311 1 9 . 1 1 85 85 SER CA C 85 58.393 58.393 59.445 -1.052 19427 4312 1 9 . 1 1 85 85 SER CB C 85 63.915 63.915 63.378 0.537 19427 4313 1 9 . 1 1 85 85 SER H H 85 8.521 8.521 8.355 0.166 19427 4314 1 9 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.644 0.022 19427 4315 1 9 . 1 1 86 86 HIS C C 86 174.868 174.868 175.026 -0.158 19427 4316 1 9 . 1 1 86 86 HIS CA C 86 56.321 56.321 55.213 1.108 19427 4317 1 9 . 1 1 86 86 HIS CB C 86 30.312 30.312 32.056 -1.744 19427 4318 1 9 . 1 1 87 87 ASP N N 87 121.205 121.205 119.919 1.286 19427 4319 1 9 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.664 -0.061 19427 4320 1 9 . 1 1 87 87 ASP C C 87 175.917 175.917 176.327 -0.410 19427 4321 1 9 . 1 1 87 87 ASP CA C 87 54.577 54.577 56.003 -1.426 19427 4322 1 9 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.795 0.461 19427 4323 1 9 . 1 1 87 87 ASP H H 87 8.326 8.326 9.029 -0.703 19427 4324 1 9 . 1 1 88 88 GLU N N 88 121.167 121.167 117.711 3.456 19427 4325 1 9 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.493 -0.176 19427 4326 1 9 . 1 1 88 88 GLU C C 88 175.455 175.455 175.791 -0.336 19427 4327 1 9 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.487 -0.115 19427 4328 1 9 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.373 0.000 19427 4329 1 9 . 1 1 88 88 GLU H H 88 8.352 8.352 8.523 -0.171 19427 4330 1 10 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.436 -0.035 19427 4331 1 10 . 1 1 5 5 PRO C C 5 176.334 176.334 175.751 0.583 19427 4332 1 10 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.577 0.206 19427 4333 1 10 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.592 0.762 19427 4334 1 10 . 1 1 6 6 LYS N N 6 121.980 121.980 121.114 0.866 19427 4335 1 10 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.569 -0.195 19427 4336 1 10 . 1 1 6 6 LYS C C 6 175.715 175.715 176.423 -0.708 19427 4337 1 10 . 1 1 6 6 LYS CA C 6 56.172 56.172 53.228 2.944 19427 4338 1 10 . 1 1 6 6 LYS CB C 6 33.270 33.270 34.118 -0.848 19427 4339 1 10 . 1 1 6 6 LYS H H 6 8.546 8.546 7.789 0.757 19427 4340 1 10 . 1 1 7 7 LEU N N 7 125.018 125.018 124.282 0.736 19427 4341 1 10 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.505 0.018 19427 4342 1 10 . 1 1 7 7 LEU C C 7 174.994 174.994 176.084 -1.090 19427 4343 1 10 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.270 -0.220 19427 4344 1 10 . 1 1 7 7 LEU CB C 7 43.171 43.171 39.778 3.393 19427 4345 1 10 . 1 1 7 7 LEU H H 7 8.620 8.620 8.507 0.113 19427 4346 1 10 . 1 1 8 8 VAL N N 8 121.522 121.522 126.695 -5.173 19427 4347 1 10 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.703 -0.156 19427 4348 1 10 . 1 1 8 8 VAL C C 8 175.042 175.042 175.244 -0.202 19427 4349 1 10 . 1 1 8 8 VAL CA C 8 61.206 61.206 62.384 -1.178 19427 4350 1 10 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.990 2.606 19427 4351 1 10 . 1 1 8 8 VAL H H 8 8.084 8.084 8.053 0.031 19427 4352 1 10 . 1 1 9 9 LEU N N 9 126.312 126.312 128.522 -2.210 19427 4353 1 10 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.240 -0.300 19427 4354 1 10 . 1 1 9 9 LEU C C 9 175.831 175.831 175.569 0.262 19427 4355 1 10 . 1 1 9 9 LEU CA C 9 53.546 53.546 52.902 0.644 19427 4356 1 10 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.452 -0.218 19427 4357 1 10 . 1 1 9 9 LEU H H 9 9.137 9.137 9.171 -0.034 19427 4358 1 10 . 1 1 10 10 ASP N N 10 123.236 123.236 123.958 -0.722 19427 4359 1 10 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.749 0.099 19427 4360 1 10 . 1 1 10 10 ASP C C 10 176.685 176.685 176.877 -0.192 19427 4361 1 10 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.142 -0.548 19427 4362 1 10 . 1 1 10 10 ASP CB C 10 40.820 40.820 42.114 -1.294 19427 4363 1 10 . 1 1 10 10 ASP H H 10 9.002 9.002 8.344 0.658 19427 4364 1 10 . 1 1 11 11 LEU N N 11 124.059 124.059 126.101 -2.042 19427 4365 1 10 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.131 -0.065 19427 4366 1 10 . 1 1 11 11 LEU C C 11 180.169 180.169 178.813 1.356 19427 4367 1 10 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.205 -0.192 19427 4368 1 10 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.072 -1.222 19427 4369 1 10 . 1 1 11 11 LEU H H 11 8.273 8.273 8.919 -0.646 19427 4370 1 10 . 1 1 12 12 GLU N N 12 121.967 121.967 119.285 2.682 19427 4371 1 10 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.061 0.113 19427 4372 1 10 . 1 1 12 12 GLU C C 12 179.719 179.719 178.760 0.959 19427 4373 1 10 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.047 0.581 19427 4374 1 10 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.453 0.107 19427 4375 1 10 . 1 1 12 12 GLU H H 12 8.273 8.273 7.769 0.504 19427 4376 1 10 . 1 1 13 13 ARG N N 13 119.595 119.595 119.697 -0.102 19427 4377 1 10 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.172 -0.000 19427 4378 1 10 . 1 1 13 13 ARG C C 13 179.909 179.909 179.509 0.400 19427 4379 1 10 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.424 -0.113 19427 4380 1 10 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.764 -0.208 19427 4381 1 10 . 1 1 13 13 ARG H H 13 8.081 8.081 9.152 -1.071 19427 4382 1 10 . 1 1 14 14 LEU N N 14 120.325 120.325 120.219 0.106 19427 4383 1 10 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.069 -0.122 19427 4384 1 10 . 1 1 14 14 LEU C C 14 177.166 177.166 176.654 0.512 19427 4385 1 10 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.098 0.476 19427 4386 1 10 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.955 -0.157 19427 4387 1 10 . 1 1 14 14 LEU H H 14 8.205 8.205 7.822 0.384 19427 4388 1 10 . 1 1 15 15 ALA N N 15 117.835 117.835 115.975 1.860 19427 4389 1 10 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.254 -0.129 19427 4390 1 10 . 1 1 15 15 ALA C C 15 178.500 178.500 177.729 0.771 19427 4391 1 10 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.002 1.317 19427 4392 1 10 . 1 1 15 15 ALA CB C 15 18.712 18.712 19.101 -0.389 19427 4393 1 10 . 1 1 15 15 ALA H H 15 7.265 7.265 7.315 -0.050 19427 4394 1 10 . 1 1 16 16 THR N N 16 105.967 105.967 112.267 -6.300 19427 4395 1 10 . 1 1 16 16 THR HA H 16 4.378 4.378 4.285 0.093 19427 4396 1 10 . 1 1 16 16 THR C C 16 174.639 174.639 174.780 -0.141 19427 4397 1 10 . 1 1 16 16 THR CA C 16 61.642 61.642 62.791 -1.149 19427 4398 1 10 . 1 1 16 16 THR CB C 16 69.957 69.957 69.734 0.223 19427 4399 1 10 . 1 1 16 16 THR H H 16 7.530 7.530 7.509 0.021 19427 4400 1 10 . 1 1 17 17 VAL N N 17 126.962 126.962 123.530 3.432 19427 4401 1 10 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.257 -0.272 19427 4402 1 10 . 1 1 17 17 VAL CA C 17 60.535 60.535 58.408 2.127 19427 4403 1 10 . 1 1 17 17 VAL CB C 17 32.388 32.388 32.824 -0.436 19427 4404 1 10 . 1 1 17 17 VAL H H 17 7.208 7.208 7.216 -0.008 19427 4405 1 10 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.203 0.065 19427 4406 1 10 . 1 1 18 18 PRO C C 18 178.094 178.094 177.460 0.634 19427 4407 1 10 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.949 -0.101 19427 4408 1 10 . 1 1 18 18 PRO CB C 18 32.711 32.711 31.496 1.215 19427 4409 1 10 . 1 1 19 19 ALA N N 19 128.383 128.383 128.213 0.170 19427 4410 1 10 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.884 0.060 19427 4411 1 10 . 1 1 19 19 ALA C C 19 180.008 180.008 178.522 1.486 19427 4412 1 10 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.510 0.807 19427 4413 1 10 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.806 0.108 19427 4414 1 10 . 1 1 19 19 ALA H H 19 8.872 8.872 8.602 0.270 19427 4415 1 10 . 1 1 20 20 GLU N N 20 118.522 118.522 116.686 1.836 19427 4416 1 10 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.128 -0.014 19427 4417 1 10 . 1 1 20 20 GLU C C 20 177.573 177.573 177.234 0.339 19427 4418 1 10 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.032 1.603 19427 4419 1 10 . 1 1 20 20 GLU CB C 20 28.838 28.838 28.705 0.133 19427 4420 1 10 . 1 1 20 20 GLU H H 20 9.459 9.459 8.720 0.739 19427 4421 1 10 . 1 1 21 21 LYS N N 21 115.147 115.147 118.162 -3.015 19427 4422 1 10 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.345 0.307 19427 4423 1 10 . 1 1 21 21 LYS C C 21 177.045 177.045 177.310 -0.265 19427 4424 1 10 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.130 -0.143 19427 4425 1 10 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.888 0.064 19427 4426 1 10 . 1 1 21 21 LYS H H 21 7.441 7.441 7.614 -0.173 19427 4427 1 10 . 1 1 22 22 ALA N N 22 119.898 119.898 120.174 -0.276 19427 4428 1 10 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.388 -0.244 19427 4429 1 10 . 1 1 22 22 ALA C C 22 177.520 177.520 179.019 -1.499 19427 4430 1 10 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.441 0.740 19427 4431 1 10 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.862 1.369 19427 4432 1 10 . 1 1 22 22 ALA H H 22 8.096 8.096 8.209 -0.113 19427 4433 1 10 . 1 1 23 23 GLY N N 23 107.148 107.148 109.160 -2.012 19427 4434 1 10 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.307 0.705 19427 4435 1 10 . 1 1 23 23 GLY H H 23 8.484 8.484 8.180 0.304 19427 4436 1 10 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.285 -0.111 19427 4437 1 10 . 1 1 24 24 PRO C C 24 179.318 179.318 178.569 0.749 19427 4438 1 10 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.636 0.317 19427 4439 1 10 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.374 -0.003 19427 4440 1 10 . 1 1 25 25 LEU N N 25 118.416 118.416 119.308 -0.892 19427 4441 1 10 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.434 -0.078 19427 4442 1 10 . 1 1 25 25 LEU C C 25 177.871 177.871 179.080 -1.209 19427 4443 1 10 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.386 0.548 19427 4444 1 10 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.806 0.544 19427 4445 1 10 . 1 1 25 25 LEU H H 25 7.394 7.394 7.704 -0.310 19427 4446 1 10 . 1 1 26 26 GLN N N 26 119.819 119.819 118.739 1.080 19427 4447 1 10 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.921 -0.027 19427 4448 1 10 . 1 1 26 26 GLN C C 26 179.865 179.865 178.813 1.052 19427 4449 1 10 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.640 0.131 19427 4450 1 10 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.371 -0.817 19427 4451 1 10 . 1 1 26 26 GLN H H 26 8.885 8.885 8.544 0.341 19427 4452 1 10 . 1 1 27 27 ARG N N 27 119.761 119.761 119.698 0.063 19427 4453 1 10 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.109 0.032 19427 4454 1 10 . 1 1 27 27 ARG C C 27 178.950 178.950 178.893 0.057 19427 4455 1 10 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.443 0.193 19427 4456 1 10 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.264 0.152 19427 4457 1 10 . 1 1 27 27 ARG H H 27 8.694 8.694 8.270 0.424 19427 4458 1 10 . 1 1 28 28 TYR N N 28 122.540 122.540 121.986 0.554 19427 4459 1 10 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.071 0.100 19427 4460 1 10 . 1 1 28 28 TYR C C 28 177.843 177.843 177.110 0.733 19427 4461 1 10 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.562 0.716 19427 4462 1 10 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.343 1.370 19427 4463 1 10 . 1 1 28 28 TYR H H 28 8.211 8.211 8.564 -0.353 19427 4464 1 10 . 1 1 29 29 ALA N N 29 120.477 120.477 120.748 -0.271 19427 4465 1 10 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.836 -0.074 19427 4466 1 10 . 1 1 29 29 ALA C C 29 178.739 178.739 179.271 -0.532 19427 4467 1 10 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.359 -0.174 19427 4468 1 10 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.858 0.071 19427 4469 1 10 . 1 1 29 29 ALA H H 29 9.065 9.065 8.744 0.321 19427 4470 1 10 . 1 1 30 30 ALA N N 30 118.596 118.596 120.616 -2.020 19427 4471 1 10 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.078 0.209 19427 4472 1 10 . 1 1 30 30 ALA C C 30 180.895 180.895 179.623 1.272 19427 4473 1 10 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.874 0.202 19427 4474 1 10 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.360 -0.274 19427 4475 1 10 . 1 1 30 30 ALA H H 30 7.741 7.741 7.765 -0.024 19427 4476 1 10 . 1 1 31 31 THR N N 31 116.024 116.024 117.011 -0.987 19427 4477 1 10 . 1 1 31 31 THR HA H 31 3.995 3.995 3.971 0.024 19427 4478 1 10 . 1 1 31 31 THR C C 31 176.687 176.687 176.558 0.129 19427 4479 1 10 . 1 1 31 31 THR CA C 31 66.452 66.452 67.546 -1.093 19427 4480 1 10 . 1 1 31 31 THR CB C 31 68.867 68.867 68.463 0.404 19427 4481 1 10 . 1 1 31 31 THR H H 31 7.914 7.914 8.129 -0.215 19427 4482 1 10 . 1 1 32 32 ILE N N 32 121.094 121.094 121.454 -0.360 19427 4483 1 10 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.625 0.190 19427 4484 1 10 . 1 1 32 32 ILE C C 32 178.583 178.583 177.839 0.744 19427 4485 1 10 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.759 0.394 19427 4486 1 10 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.543 0.397 19427 4487 1 10 . 1 1 32 32 ILE H H 32 7.846 7.846 8.349 -0.503 19427 4488 1 10 . 1 1 33 33 GLN N N 33 119.832 119.832 119.567 0.265 19427 4489 1 10 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.999 -0.160 19427 4490 1 10 . 1 1 33 33 GLN C C 33 178.264 178.264 178.938 -0.674 19427 4491 1 10 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.655 0.203 19427 4492 1 10 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.529 0.836 19427 4493 1 10 . 1 1 33 33 GLN H H 33 8.374 8.374 8.412 -0.038 19427 4494 1 10 . 1 1 34 34 SER N N 34 112.726 112.726 116.580 -3.854 19427 4495 1 10 . 1 1 34 34 SER HA H 34 4.333 4.333 4.161 0.172 19427 4496 1 10 . 1 1 34 34 SER C C 34 176.817 176.817 176.817 0.000 19427 4497 1 10 . 1 1 34 34 SER CA C 34 60.915 60.915 62.097 -1.182 19427 4498 1 10 . 1 1 34 34 SER CB C 34 63.235 63.235 62.871 0.364 19427 4499 1 10 . 1 1 34 34 SER H H 34 7.816 7.816 8.209 -0.393 19427 4500 1 10 . 1 1 35 35 GLN N N 35 120.724 120.724 120.390 0.334 19427 4501 1 10 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.058 0.136 19427 4502 1 10 . 1 1 35 35 GLN C C 35 177.930 177.930 178.362 -0.432 19427 4503 1 10 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.371 -0.262 19427 4504 1 10 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.767 0.421 19427 4505 1 10 . 1 1 35 35 GLN H H 35 8.034 8.034 8.069 -0.035 19427 4506 1 10 . 1 1 36 36 ARG N N 36 116.267 116.267 116.896 -0.629 19427 4507 1 10 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.318 0.080 19427 4508 1 10 . 1 1 36 36 ARG C C 36 177.013 177.013 176.697 0.316 19427 4509 1 10 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.426 -0.002 19427 4510 1 10 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.643 0.775 19427 4511 1 10 . 1 1 36 36 ARG H H 36 8.091 8.091 8.245 -0.154 19427 4512 1 10 . 1 1 37 37 GLY N N 37 109.299 109.299 108.423 0.876 19427 4513 1 10 . 1 1 37 37 GLY C C 37 173.661 173.661 173.988 -0.327 19427 4514 1 10 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.052 1.218 19427 4515 1 10 . 1 1 37 37 GLY H H 37 7.972 7.972 7.657 0.315 19427 4516 1 10 . 1 1 38 38 ASP N N 38 119.246 119.246 119.823 -0.577 19427 4517 1 10 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.864 -0.149 19427 4518 1 10 . 1 1 38 38 ASP C C 38 175.405 175.405 174.065 1.340 19427 4519 1 10 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.498 -0.327 19427 4520 1 10 . 1 1 38 38 ASP CB C 38 41.640 41.640 43.078 -1.438 19427 4521 1 10 . 1 1 38 38 ASP H H 38 7.838 7.838 8.195 -0.357 19427 4522 1 10 . 1 1 39 39 TYR N N 39 121.210 121.210 127.780 -6.570 19427 4523 1 10 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.774 -0.247 19427 4524 1 10 . 1 1 39 39 TYR C C 39 176.937 176.937 174.761 2.176 19427 4525 1 10 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.653 0.475 19427 4526 1 10 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.165 0.423 19427 4527 1 10 . 1 1 39 39 TYR H H 39 8.202 8.202 8.700 -0.498 19427 4528 1 10 . 1 1 40 40 ASN N N 40 120.622 120.622 125.564 -4.942 19427 4529 1 10 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.420 0.199 19427 4530 1 10 . 1 1 40 40 ASN C C 40 175.853 175.853 176.086 -0.233 19427 4531 1 10 . 1 1 40 40 ASN CA C 40 54.383 54.383 54.520 -0.137 19427 4532 1 10 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.829 -0.323 19427 4533 1 10 . 1 1 40 40 ASN H H 40 8.393 8.393 8.042 0.351 19427 4534 1 10 . 1 1 41 41 GLY N N 41 107.971 107.971 107.957 0.014 19427 4535 1 10 . 1 1 41 41 GLY C C 41 173.926 173.926 174.633 -0.707 19427 4536 1 10 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.859 0.071 19427 4537 1 10 . 1 1 41 41 GLY H H 41 8.103 8.103 8.405 -0.302 19427 4538 1 10 . 1 1 42 42 LYS N N 42 119.472 119.472 120.096 -0.624 19427 4539 1 10 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.339 0.150 19427 4540 1 10 . 1 1 42 42 LYS C C 42 176.201 176.201 176.389 -0.188 19427 4541 1 10 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.465 0.244 19427 4542 1 10 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.779 0.566 19427 4543 1 10 . 1 1 42 42 LYS H H 42 8.652 8.652 7.878 0.774 19427 4544 1 10 . 1 1 43 43 VAL N N 43 112.852 112.852 112.886 -0.034 19427 4545 1 10 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.210 0.120 19427 4546 1 10 . 1 1 43 43 VAL C C 43 174.906 174.906 174.081 0.825 19427 4547 1 10 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.355 -0.091 19427 4548 1 10 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.489 0.464 19427 4549 1 10 . 1 1 43 43 VAL H H 43 7.840 7.840 8.627 -0.787 19427 4550 1 10 . 1 1 44 44 LEU N N 44 123.642 123.642 119.165 4.477 19427 4551 1 10 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.812 -0.023 19427 4552 1 10 . 1 1 44 44 LEU C C 44 175.260 175.260 174.706 0.554 19427 4553 1 10 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.802 0.074 19427 4554 1 10 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.098 1.400 19427 4555 1 10 . 1 1 44 44 LEU H H 44 8.610 8.610 8.917 -0.307 19427 4556 1 10 . 1 1 45 45 SER N N 45 124.267 124.267 120.580 3.687 19427 4557 1 10 . 1 1 45 45 SER HA H 45 5.052 5.052 5.597 -0.545 19427 4558 1 10 . 1 1 45 45 SER C C 45 174.246 174.246 173.520 0.726 19427 4559 1 10 . 1 1 45 45 SER CA C 45 58.852 58.852 57.258 1.594 19427 4560 1 10 . 1 1 45 45 SER CB C 45 63.509 63.509 64.366 -0.857 19427 4561 1 10 . 1 1 45 45 SER H H 45 9.111 9.111 8.405 0.706 19427 4562 1 10 . 1 1 46 46 ILE N N 46 118.924 118.924 121.098 -2.174 19427 4563 1 10 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.697 0.083 19427 4564 1 10 . 1 1 46 46 ILE C C 46 174.199 174.199 174.354 -0.155 19427 4565 1 10 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.596 1.006 19427 4566 1 10 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.080 1.515 19427 4567 1 10 . 1 1 46 46 ILE H H 46 8.542 8.542 8.827 -0.285 19427 4568 1 10 . 1 1 47 47 ARG N N 47 119.572 119.572 120.452 -0.880 19427 4569 1 10 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.582 0.283 19427 4570 1 10 . 1 1 47 47 ARG C C 47 178.511 178.511 178.193 0.318 19427 4571 1 10 . 1 1 47 47 ARG CA C 47 54.508 54.508 55.613 -1.105 19427 4572 1 10 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.293 2.025 19427 4573 1 10 . 1 1 47 47 ARG H H 47 9.488 9.488 8.475 1.013 19427 4574 1 10 . 1 1 48 48 GLN N N 48 122.809 122.809 120.418 2.391 19427 4575 1 10 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.996 -0.178 19427 4576 1 10 . 1 1 48 48 GLN C C 48 178.972 178.972 177.753 1.219 19427 4577 1 10 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.813 0.714 19427 4578 1 10 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.479 -0.195 19427 4579 1 10 . 1 1 48 48 GLN H H 48 9.350 9.350 8.985 0.365 19427 4580 1 10 . 1 1 49 49 ASP N N 49 115.682 115.682 118.187 -2.505 19427 4581 1 10 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.391 -0.031 19427 4582 1 10 . 1 1 49 49 ASP C C 49 178.758 178.758 178.037 0.721 19427 4583 1 10 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.499 -0.142 19427 4584 1 10 . 1 1 49 49 ASP CB C 49 40.483 40.483 39.976 0.507 19427 4585 1 10 . 1 1 49 49 ASP H H 49 8.855 8.855 8.713 0.142 19427 4586 1 10 . 1 1 50 50 ASP N N 50 117.926 117.926 119.940 -2.014 19427 4587 1 10 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.467 0.145 19427 4588 1 10 . 1 1 50 50 ASP C C 50 177.865 177.865 178.235 -0.370 19427 4589 1 10 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.504 1.571 19427 4590 1 10 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.173 0.466 19427 4591 1 10 . 1 1 50 50 ASP H H 50 7.519 7.519 7.580 -0.061 19427 4592 1 10 . 1 1 51 51 LEU N N 51 118.893 118.893 120.933 -2.040 19427 4593 1 10 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.026 -0.114 19427 4594 1 10 . 1 1 51 51 LEU C C 51 178.254 178.254 178.184 0.070 19427 4595 1 10 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.570 0.559 19427 4596 1 10 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.956 -0.559 19427 4597 1 10 . 1 1 51 51 LEU H H 51 7.444 7.444 7.739 -0.295 19427 4598 1 10 . 1 1 52 52 ARG N N 52 117.366 117.366 117.381 -0.015 19427 4599 1 10 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.973 -0.063 19427 4600 1 10 . 1 1 52 52 ARG C C 52 178.886 178.886 178.551 0.335 19427 4601 1 10 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.486 0.799 19427 4602 1 10 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.768 0.050 19427 4603 1 10 . 1 1 52 52 ARG H H 52 7.757 7.757 7.608 0.149 19427 4604 1 10 . 1 1 53 53 THR N N 53 118.266 118.266 117.456 0.810 19427 4605 1 10 . 1 1 53 53 THR HA H 53 3.924 3.924 3.940 -0.016 19427 4606 1 10 . 1 1 53 53 THR C C 53 176.626 176.626 176.222 0.404 19427 4607 1 10 . 1 1 53 53 THR CA C 53 67.001 67.001 65.944 1.057 19427 4608 1 10 . 1 1 53 53 THR CB C 53 68.759 68.759 68.534 0.225 19427 4609 1 10 . 1 1 53 53 THR H H 53 7.973 7.973 7.553 0.420 19427 4610 1 10 . 1 1 54 54 LEU N N 54 122.030 122.030 121.182 0.848 19427 4611 1 10 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.481 0.328 19427 4612 1 10 . 1 1 54 54 LEU C C 54 177.755 177.755 178.022 -0.267 19427 4613 1 10 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.828 -0.004 19427 4614 1 10 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.881 2.208 19427 4615 1 10 . 1 1 54 54 LEU H H 54 8.355 8.355 7.395 0.960 19427 4616 1 10 . 1 1 55 55 ALA N N 55 122.634 122.634 120.004 2.630 19427 4617 1 10 . 1 1 55 55 ALA HA H 55 3.892 3.892 4.003 -0.111 19427 4618 1 10 . 1 1 55 55 ALA C C 55 179.192 179.192 179.209 -0.017 19427 4619 1 10 . 1 1 55 55 ALA CA C 55 56.505 56.505 54.940 1.565 19427 4620 1 10 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.149 -0.985 19427 4621 1 10 . 1 1 55 55 ALA H H 55 8.195 8.195 7.602 0.593 19427 4622 1 10 . 1 1 56 56 VAL N N 56 118.079 118.079 118.192 -0.113 19427 4623 1 10 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.670 0.191 19427 4624 1 10 . 1 1 56 56 VAL C C 56 180.389 180.389 177.644 2.745 19427 4625 1 10 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.448 1.139 19427 4626 1 10 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.862 -0.169 19427 4627 1 10 . 1 1 56 56 VAL H H 56 7.402 7.402 7.335 0.067 19427 4628 1 10 . 1 1 57 57 ILE N N 57 122.536 122.536 119.803 2.733 19427 4629 1 10 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.602 0.002 19427 4630 1 10 . 1 1 57 57 ILE C C 57 177.942 177.942 177.295 0.647 19427 4631 1 10 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.490 1.353 19427 4632 1 10 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.905 0.481 19427 4633 1 10 . 1 1 57 57 ILE H H 57 7.893 7.893 7.444 0.449 19427 4634 1 10 . 1 1 58 58 TYR N N 58 117.060 117.060 116.354 0.706 19427 4635 1 10 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.502 -0.371 19427 4636 1 10 . 1 1 58 58 TYR C C 58 174.728 174.728 175.603 -0.875 19427 4637 1 10 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.132 4.632 19427 4638 1 10 . 1 1 58 58 TYR CB C 58 39.027 39.027 38.030 0.997 19427 4639 1 10 . 1 1 58 58 TYR H H 58 8.319 8.319 7.497 0.822 19427 4640 1 10 . 1 1 59 59 ASP N N 59 122.545 122.545 118.515 4.030 19427 4641 1 10 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.350 0.000 19427 4642 1 10 . 1 1 59 59 ASP C C 59 174.853 174.853 175.059 -0.206 19427 4643 1 10 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.466 -0.353 19427 4644 1 10 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.493 0.319 19427 4645 1 10 . 1 1 59 59 ASP H H 59 8.177 8.177 8.144 0.033 19427 4646 1 10 . 1 1 60 60 GLN N N 60 116.007 116.007 118.803 -2.796 19427 4647 1 10 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.676 0.054 19427 4648 1 10 . 1 1 60 60 GLN C C 60 174.853 174.853 174.239 0.614 19427 4649 1 10 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.229 -0.716 19427 4650 1 10 . 1 1 60 60 GLN CB C 60 34.384 34.384 33.220 1.164 19427 4651 1 10 . 1 1 60 60 GLN H H 60 8.424 8.424 8.394 0.030 19427 4652 1 10 . 1 1 61 61 SER N N 61 116.009 116.009 114.807 1.202 19427 4653 1 10 . 1 1 61 61 SER HA H 61 4.783 4.783 4.819 -0.036 19427 4654 1 10 . 1 1 61 61 SER CA C 61 56.443 56.443 55.481 0.962 19427 4655 1 10 . 1 1 61 61 SER CB C 61 62.811 62.811 63.802 -0.991 19427 4656 1 10 . 1 1 61 61 SER H H 61 8.424 8.424 8.381 0.043 19427 4657 1 10 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.185 -0.149 19427 4658 1 10 . 1 1 62 62 PRO C C 62 179.161 179.161 178.458 0.703 19427 4659 1 10 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.770 0.726 19427 4660 1 10 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.655 0.125 19427 4661 1 10 . 1 1 63 63 SER N N 63 114.103 114.103 112.764 1.339 19427 4662 1 10 . 1 1 63 63 SER HA H 63 4.838 4.838 4.149 0.689 19427 4663 1 10 . 1 1 63 63 SER C C 63 176.141 176.141 176.161 -0.020 19427 4664 1 10 . 1 1 63 63 SER CB C 63 62.293 62.293 62.888 -0.595 19427 4665 1 10 . 1 1 63 63 SER H H 63 8.596 8.596 8.231 0.365 19427 4666 1 10 . 1 1 64 64 VAL N N 64 125.461 125.461 121.853 3.608 19427 4667 1 10 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.874 -0.313 19427 4668 1 10 . 1 1 64 64 VAL C C 64 178.754 178.754 177.180 1.574 19427 4669 1 10 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.644 1.788 19427 4670 1 10 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.330 0.687 19427 4671 1 10 . 1 1 64 64 VAL H H 64 7.381 7.381 7.326 0.055 19427 4672 1 10 . 1 1 65 65 LEU N N 65 121.843 121.843 122.338 -0.495 19427 4673 1 10 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.116 -0.217 19427 4674 1 10 . 1 1 65 65 LEU C C 65 178.836 178.836 178.830 0.006 19427 4675 1 10 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.396 -1.084 19427 4676 1 10 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.844 0.411 19427 4677 1 10 . 1 1 65 65 LEU H H 65 8.437 8.437 8.531 -0.094 19427 4678 1 10 . 1 1 66 66 THR N N 66 115.794 115.794 115.309 0.485 19427 4679 1 10 . 1 1 66 66 THR HA H 66 3.321 3.321 3.890 -0.569 19427 4680 1 10 . 1 1 66 66 THR C C 66 175.591 175.591 176.820 -1.229 19427 4681 1 10 . 1 1 66 66 THR CA C 66 69.056 69.056 66.953 2.103 19427 4682 1 10 . 1 1 66 66 THR CB C 66 67.992 67.992 68.146 -0.154 19427 4683 1 10 . 1 1 66 66 THR H H 66 8.079 8.079 8.309 -0.230 19427 4684 1 10 . 1 1 67 67 GLU N N 67 118.543 118.543 121.129 -2.586 19427 4685 1 10 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.854 -0.013 19427 4686 1 10 . 1 1 67 67 GLU C C 67 179.342 179.342 179.127 0.215 19427 4687 1 10 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.767 -0.542 19427 4688 1 10 . 1 1 67 67 GLU CB C 67 28.921 28.921 28.817 0.104 19427 4689 1 10 . 1 1 67 67 GLU H H 67 7.594 7.594 7.844 -0.250 19427 4690 1 10 . 1 1 68 68 GLN N N 68 120.882 120.882 118.892 1.990 19427 4691 1 10 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.604 0.096 19427 4692 1 10 . 1 1 68 68 GLN C C 68 177.403 177.403 177.906 -0.503 19427 4693 1 10 . 1 1 68 68 GLN CA C 68 58.394 58.394 57.794 0.600 19427 4694 1 10 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.881 0.493 19427 4695 1 10 . 1 1 68 68 GLN H H 68 7.847 7.847 7.664 0.183 19427 4696 1 10 . 1 1 69 69 LEU N N 69 118.421 118.421 119.723 -1.302 19427 4697 1 10 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.746 -0.273 19427 4698 1 10 . 1 1 69 69 LEU C C 69 180.177 180.177 179.487 0.690 19427 4699 1 10 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.654 0.759 19427 4700 1 10 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.142 -0.170 19427 4701 1 10 . 1 1 69 69 LEU H H 69 7.986 7.986 7.610 0.376 19427 4702 1 10 . 1 1 70 70 ILE N N 70 121.346 121.346 119.301 2.045 19427 4703 1 10 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.916 0.244 19427 4704 1 10 . 1 1 70 70 ILE C C 70 180.910 180.910 178.343 2.567 19427 4705 1 10 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.548 0.502 19427 4706 1 10 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.986 0.359 19427 4707 1 10 . 1 1 70 70 ILE H H 70 8.262 8.262 8.358 -0.096 19427 4708 1 10 . 1 1 71 71 SER N N 71 120.236 120.236 115.343 4.893 19427 4709 1 10 . 1 1 71 71 SER HA H 71 4.273 4.273 4.194 0.079 19427 4710 1 10 . 1 1 71 71 SER C C 71 177.045 177.045 175.789 1.256 19427 4711 1 10 . 1 1 71 71 SER CA C 71 62.544 62.544 61.611 0.933 19427 4712 1 10 . 1 1 71 71 SER CB C 71 62.839 62.839 62.925 -0.086 19427 4713 1 10 . 1 1 71 71 SER H H 71 8.388 8.388 7.829 0.559 19427 4714 1 10 . 1 1 72 72 TRP N N 72 119.364 119.364 119.700 -0.336 19427 4715 1 10 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.726 0.200 19427 4716 1 10 . 1 1 72 72 TRP C C 72 176.839 176.839 176.974 -0.135 19427 4717 1 10 . 1 1 72 72 TRP CA C 72 55.764 55.764 56.994 -1.230 19427 4718 1 10 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.770 2.494 19427 4719 1 10 . 1 1 72 72 TRP H H 72 8.066 8.066 7.869 0.197 19427 4720 1 10 . 1 1 73 73 GLY N N 73 106.514 106.514 106.414 0.100 19427 4721 1 10 . 1 1 73 73 GLY C C 73 174.697 174.697 175.063 -0.366 19427 4722 1 10 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.100 -0.697 19427 4723 1 10 . 1 1 73 73 GLY H H 73 8.242 8.242 7.899 0.343 19427 4724 1 10 . 1 1 74 74 VAL N N 74 114.793 114.793 113.493 1.300 19427 4725 1 10 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.383 -0.186 19427 4726 1 10 . 1 1 74 74 VAL C C 74 174.015 174.015 174.983 -0.968 19427 4727 1 10 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.332 -0.219 19427 4728 1 10 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.619 0.230 19427 4729 1 10 . 1 1 74 74 VAL H H 74 7.834 7.834 7.661 0.173 19427 4730 1 10 . 1 1 75 75 LEU N N 75 118.357 118.357 121.323 -2.966 19427 4731 1 10 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.252 -0.341 19427 4732 1 10 . 1 1 75 75 LEU C C 75 175.022 175.022 175.852 -0.830 19427 4733 1 10 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.872 -0.240 19427 4734 1 10 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.193 1.965 19427 4735 1 10 . 1 1 75 75 LEU H H 75 6.898 6.898 7.579 -0.681 19427 4736 1 10 . 1 1 76 76 ASP N N 76 122.400 122.400 124.068 -1.668 19427 4737 1 10 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.652 -0.049 19427 4738 1 10 . 1 1 76 76 ASP C C 76 176.384 176.384 176.288 0.096 19427 4739 1 10 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.138 0.245 19427 4740 1 10 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.684 -0.456 19427 4741 1 10 . 1 1 76 76 ASP H H 76 8.412 8.412 8.630 -0.218 19427 4742 1 10 . 1 1 77 77 ALA N N 77 123.828 123.828 126.894 -3.066 19427 4743 1 10 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.110 -0.056 19427 4744 1 10 . 1 1 77 77 ALA C C 77 179.068 179.068 178.055 1.013 19427 4745 1 10 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.265 0.466 19427 4746 1 10 . 1 1 77 77 ALA CB C 77 18.749 18.749 19.048 -0.299 19427 4747 1 10 . 1 1 77 77 ALA H H 77 8.601 8.601 8.524 0.077 19427 4748 1 10 . 1 1 78 78 ASP N N 78 118.882 118.882 117.918 0.964 19427 4749 1 10 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.588 -0.075 19427 4750 1 10 . 1 1 78 78 ASP C C 78 174.868 174.868 177.921 -3.053 19427 4751 1 10 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.065 0.213 19427 4752 1 10 . 1 1 78 78 ASP CB C 78 40.908 40.908 41.355 -0.447 19427 4753 1 10 . 1 1 78 78 ASP H H 78 8.791 8.791 8.654 0.137 19427 4754 1 10 . 1 1 79 79 ALA N N 79 121.027 121.027 122.303 -1.276 19427 4755 1 10 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.041 -0.040 19427 4756 1 10 . 1 1 79 79 ALA C C 79 178.803 178.803 179.225 -0.422 19427 4757 1 10 . 1 1 79 79 ALA CA C 79 54.391 54.391 55.068 -0.677 19427 4758 1 10 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.352 1.569 19427 4759 1 10 . 1 1 79 79 ALA H H 79 8.287 8.287 7.939 0.348 19427 4760 1 10 . 1 1 80 80 ARG N N 80 115.805 115.805 115.924 -0.119 19427 4761 1 10 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.045 -0.121 19427 4762 1 10 . 1 1 80 80 ARG C C 80 178.254 178.254 177.887 0.367 19427 4763 1 10 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.390 0.839 19427 4764 1 10 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.424 0.833 19427 4765 1 10 . 1 1 80 80 ARG H H 80 7.689 7.689 8.133 -0.444 19427 4766 1 10 . 1 1 81 81 ARG N N 81 117.554 117.554 119.414 -1.860 19427 4767 1 10 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.114 0.092 19427 4768 1 10 . 1 1 81 81 ARG C C 81 177.214 177.214 177.710 -0.496 19427 4769 1 10 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.727 -1.034 19427 4770 1 10 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.849 0.393 19427 4771 1 10 . 1 1 81 81 ARG H H 81 7.782 7.782 8.248 -0.466 19427 4772 1 10 . 1 1 82 82 ALA N N 82 121.590 121.590 119.123 2.467 19427 4773 1 10 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.380 -0.101 19427 4774 1 10 . 1 1 82 82 ALA C C 82 177.798 177.798 178.467 -0.669 19427 4775 1 10 . 1 1 82 82 ALA CA C 82 53.255 53.255 53.160 0.095 19427 4776 1 10 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.095 0.468 19427 4777 1 10 . 1 1 82 82 ALA H H 82 7.875 7.875 7.406 0.469 19427 4778 1 10 . 1 1 83 83 VAL N N 83 114.483 114.483 118.913 -4.430 19427 4779 1 10 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.897 0.244 19427 4780 1 10 . 1 1 83 83 VAL C C 83 175.572 175.572 176.971 -1.399 19427 4781 1 10 . 1 1 83 83 VAL CA C 83 62.041 62.041 64.733 -2.692 19427 4782 1 10 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.403 0.378 19427 4783 1 10 . 1 1 83 83 VAL H H 83 7.503 7.503 7.509 -0.006 19427 4784 1 10 . 1 1 84 84 ALA N N 84 125.870 125.870 120.515 5.355 19427 4785 1 10 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.354 -0.033 19427 4786 1 10 . 1 1 84 84 ALA C C 84 177.696 177.696 177.369 0.327 19427 4787 1 10 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.179 0.592 19427 4788 1 10 . 1 1 84 84 ALA CB C 84 19.512 19.512 17.641 1.871 19427 4789 1 10 . 1 1 84 84 ALA H H 84 7.876 7.876 7.994 -0.118 19427 4790 1 10 . 1 1 85 85 SER N N 85 114.965 114.965 114.216 0.749 19427 4791 1 10 . 1 1 85 85 SER HA H 85 4.396 4.396 4.398 -0.002 19427 4792 1 10 . 1 1 85 85 SER CA C 85 58.393 58.393 59.304 -0.911 19427 4793 1 10 . 1 1 85 85 SER CB C 85 63.915 63.915 63.751 0.164 19427 4794 1 10 . 1 1 85 85 SER H H 85 8.521 8.521 7.685 0.836 19427 4795 1 10 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.764 -0.098 19427 4796 1 10 . 1 1 86 86 HIS C C 86 174.868 174.868 174.386 0.482 19427 4797 1 10 . 1 1 86 86 HIS CA C 86 56.321 56.321 55.526 0.795 19427 4798 1 10 . 1 1 86 86 HIS CB C 86 30.312 30.312 32.437 -2.125 19427 4799 1 10 . 1 1 87 87 ASP N N 87 121.205 121.205 125.036 -3.831 19427 4800 1 10 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.572 0.031 19427 4801 1 10 . 1 1 87 87 ASP C C 87 175.917 175.917 177.329 -1.412 19427 4802 1 10 . 1 1 87 87 ASP CA C 87 54.577 54.577 55.525 -0.948 19427 4803 1 10 . 1 1 87 87 ASP CB C 87 41.256 41.256 41.722 -0.466 19427 4804 1 10 . 1 1 87 87 ASP H H 87 8.326 8.326 8.887 -0.561 19427 4805 1 10 . 1 1 88 88 GLU N N 88 121.167 121.167 116.919 4.248 19427 4806 1 10 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.045 0.272 19427 4807 1 10 . 1 1 88 88 GLU C C 88 175.455 175.455 176.036 -0.581 19427 4808 1 10 . 1 1 88 88 GLU CA C 88 56.372 56.372 58.270 -1.897 19427 4809 1 10 . 1 1 88 88 GLU CB C 88 30.373 30.373 29.118 1.255 19427 4810 1 10 . 1 1 88 88 GLU H H 88 8.352 8.352 8.755 -0.403 19427 4811 1 11 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.597 -0.196 19427 4812 1 11 . 1 1 5 5 PRO C C 5 176.334 176.334 176.297 0.037 19427 4813 1 11 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.024 -0.241 19427 4814 1 11 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.044 0.310 19427 4815 1 11 . 1 1 6 6 LYS N N 6 121.980 121.980 123.364 -1.384 19427 4816 1 11 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.357 0.017 19427 4817 1 11 . 1 1 6 6 LYS C C 6 175.715 175.715 176.110 -0.395 19427 4818 1 11 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.527 0.645 19427 4819 1 11 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.506 -0.236 19427 4820 1 11 . 1 1 6 6 LYS H H 6 8.546 8.546 8.304 0.242 19427 4821 1 11 . 1 1 7 7 LEU N N 7 125.018 125.018 126.195 -1.177 19427 4822 1 11 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.486 0.037 19427 4823 1 11 . 1 1 7 7 LEU C C 7 174.994 174.994 175.023 -0.029 19427 4824 1 11 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.479 0.571 19427 4825 1 11 . 1 1 7 7 LEU CB C 7 43.171 43.171 40.513 2.658 19427 4826 1 11 . 1 1 7 7 LEU H H 7 8.620 8.620 8.687 -0.067 19427 4827 1 11 . 1 1 8 8 VAL N N 8 121.522 121.522 124.927 -3.405 19427 4828 1 11 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.579 -0.032 19427 4829 1 11 . 1 1 8 8 VAL C C 8 175.042 175.042 175.584 -0.542 19427 4830 1 11 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.577 0.629 19427 4831 1 11 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.925 2.671 19427 4832 1 11 . 1 1 8 8 VAL H H 8 8.084 8.084 8.038 0.046 19427 4833 1 11 . 1 1 9 9 LEU N N 9 126.312 126.312 130.281 -3.969 19427 4834 1 11 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.503 0.437 19427 4835 1 11 . 1 1 9 9 LEU C C 9 175.831 175.831 175.196 0.635 19427 4836 1 11 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.613 -0.067 19427 4837 1 11 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.224 1.008 19427 4838 1 11 . 1 1 9 9 LEU H H 9 9.137 9.137 9.133 0.004 19427 4839 1 11 . 1 1 10 10 ASP N N 10 123.236 123.236 127.975 -4.739 19427 4840 1 11 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.609 0.239 19427 4841 1 11 . 1 1 10 10 ASP C C 10 176.685 176.685 176.622 0.063 19427 4842 1 11 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.500 -0.907 19427 4843 1 11 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.132 -0.312 19427 4844 1 11 . 1 1 10 10 ASP H H 10 9.002 9.002 8.687 0.315 19427 4845 1 11 . 1 1 11 11 LEU N N 11 124.059 124.059 126.263 -2.204 19427 4846 1 11 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.090 -0.024 19427 4847 1 11 . 1 1 11 11 LEU C C 11 180.169 180.169 178.618 1.551 19427 4848 1 11 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.264 -0.251 19427 4849 1 11 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.078 -1.228 19427 4850 1 11 . 1 1 11 11 LEU H H 11 8.273 8.273 8.340 -0.067 19427 4851 1 11 . 1 1 12 12 GLU N N 12 121.967 121.967 119.844 2.123 19427 4852 1 11 . 1 1 12 12 GLU HA H 12 4.174 4.174 3.930 0.244 19427 4853 1 11 . 1 1 12 12 GLU C C 12 179.719 179.719 178.619 1.100 19427 4854 1 11 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.610 0.018 19427 4855 1 11 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.571 -0.011 19427 4856 1 11 . 1 1 12 12 GLU H H 12 8.273 8.273 7.786 0.487 19427 4857 1 11 . 1 1 13 13 ARG N N 13 119.595 119.595 119.451 0.144 19427 4858 1 11 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.166 0.006 19427 4859 1 11 . 1 1 13 13 ARG C C 13 179.909 179.909 179.217 0.692 19427 4860 1 11 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.918 -0.607 19427 4861 1 11 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.790 -0.235 19427 4862 1 11 . 1 1 13 13 ARG H H 13 8.081 8.081 8.948 -0.867 19427 4863 1 11 . 1 1 14 14 LEU N N 14 120.325 120.325 120.852 -0.527 19427 4864 1 11 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.200 -0.253 19427 4865 1 11 . 1 1 14 14 LEU C C 14 177.166 177.166 178.658 -1.492 19427 4866 1 11 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.649 -0.075 19427 4867 1 11 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.085 0.713 19427 4868 1 11 . 1 1 14 14 LEU H H 14 8.205 8.205 8.080 0.125 19427 4869 1 11 . 1 1 15 15 ALA N N 15 117.835 117.835 119.051 -1.216 19427 4870 1 11 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.206 -0.081 19427 4871 1 11 . 1 1 15 15 ALA C C 15 178.500 178.500 178.104 0.396 19427 4872 1 11 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.813 0.507 19427 4873 1 11 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.859 -0.147 19427 4874 1 11 . 1 1 15 15 ALA H H 15 7.265 7.265 7.801 -0.536 19427 4875 1 11 . 1 1 16 16 THR N N 16 105.967 105.967 112.400 -6.433 19427 4876 1 11 . 1 1 16 16 THR HA H 16 4.378 4.378 4.391 -0.013 19427 4877 1 11 . 1 1 16 16 THR C C 16 174.639 174.639 174.531 0.108 19427 4878 1 11 . 1 1 16 16 THR CA C 16 61.642 61.642 62.514 -0.872 19427 4879 1 11 . 1 1 16 16 THR CB C 16 69.957 69.957 69.678 0.279 19427 4880 1 11 . 1 1 16 16 THR H H 16 7.530 7.530 7.572 -0.042 19427 4881 1 11 . 1 1 17 17 VAL N N 17 126.962 126.962 124.224 2.738 19427 4882 1 11 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.013 -0.028 19427 4883 1 11 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.451 1.084 19427 4884 1 11 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.989 0.399 19427 4885 1 11 . 1 1 17 17 VAL H H 17 7.208 7.208 7.367 -0.159 19427 4886 1 11 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.222 0.046 19427 4887 1 11 . 1 1 18 18 PRO C C 18 178.094 178.094 177.131 0.963 19427 4888 1 11 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.270 0.578 19427 4889 1 11 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.255 0.456 19427 4890 1 11 . 1 1 19 19 ALA N N 19 128.383 128.383 129.119 -0.736 19427 4891 1 11 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.981 -0.037 19427 4892 1 11 . 1 1 19 19 ALA C C 19 180.008 180.008 179.760 0.248 19427 4893 1 11 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.475 0.842 19427 4894 1 11 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.729 0.185 19427 4895 1 11 . 1 1 19 19 ALA H H 19 8.872 8.872 8.602 0.270 19427 4896 1 11 . 1 1 20 20 GLU N N 20 118.522 118.522 118.014 0.508 19427 4897 1 11 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.035 0.079 19427 4898 1 11 . 1 1 20 20 GLU C C 20 177.573 177.573 177.767 -0.194 19427 4899 1 11 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.757 0.879 19427 4900 1 11 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.343 -0.505 19427 4901 1 11 . 1 1 20 20 GLU H H 20 9.459 9.459 8.825 0.634 19427 4902 1 11 . 1 1 21 21 LYS N N 21 115.147 115.147 116.054 -0.907 19427 4903 1 11 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.342 0.310 19427 4904 1 11 . 1 1 21 21 LYS C C 21 177.045 177.045 177.142 -0.097 19427 4905 1 11 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.792 0.195 19427 4906 1 11 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.697 0.255 19427 4907 1 11 . 1 1 21 21 LYS H H 21 7.441 7.441 7.689 -0.248 19427 4908 1 11 . 1 1 22 22 ALA N N 22 119.898 119.898 121.625 -1.727 19427 4909 1 11 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.294 -0.150 19427 4910 1 11 . 1 1 22 22 ALA C C 22 177.520 177.520 178.598 -1.078 19427 4911 1 11 . 1 1 22 22 ALA CA C 22 53.181 53.181 53.329 -0.148 19427 4912 1 11 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.696 1.535 19427 4913 1 11 . 1 1 22 22 ALA H H 22 8.096 8.096 8.053 0.043 19427 4914 1 11 . 1 1 23 23 GLY N N 23 107.148 107.148 108.388 -1.240 19427 4915 1 11 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.104 0.908 19427 4916 1 11 . 1 1 23 23 GLY H H 23 8.484 8.484 8.244 0.240 19427 4917 1 11 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.464 -0.290 19427 4918 1 11 . 1 1 24 24 PRO C C 24 179.318 179.318 178.040 1.278 19427 4919 1 11 . 1 1 24 24 PRO CA C 24 65.953 65.953 64.981 0.972 19427 4920 1 11 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.468 -0.097 19427 4921 1 11 . 1 1 25 25 LEU N N 25 118.416 118.416 120.405 -1.989 19427 4922 1 11 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.351 0.005 19427 4923 1 11 . 1 1 25 25 LEU C C 25 177.871 177.871 178.706 -0.835 19427 4924 1 11 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.546 0.389 19427 4925 1 11 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.819 0.531 19427 4926 1 11 . 1 1 25 25 LEU H H 25 7.394 7.394 7.919 -0.525 19427 4927 1 11 . 1 1 26 26 GLN N N 26 119.819 119.819 118.532 1.287 19427 4928 1 11 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.044 -0.150 19427 4929 1 11 . 1 1 26 26 GLN C C 26 179.865 179.865 178.770 1.095 19427 4930 1 11 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.389 0.383 19427 4931 1 11 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.465 -0.911 19427 4932 1 11 . 1 1 26 26 GLN H H 26 8.885 8.885 8.657 0.228 19427 4933 1 11 . 1 1 27 27 ARG N N 27 119.761 119.761 119.661 0.100 19427 4934 1 11 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.114 0.027 19427 4935 1 11 . 1 1 27 27 ARG C C 27 178.950 178.950 178.553 0.397 19427 4936 1 11 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.739 0.898 19427 4937 1 11 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.719 0.697 19427 4938 1 11 . 1 1 27 27 ARG H H 27 8.694 8.694 8.029 0.665 19427 4939 1 11 . 1 1 28 28 TYR N N 28 122.540 122.540 121.626 0.914 19427 4940 1 11 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.047 0.124 19427 4941 1 11 . 1 1 28 28 TYR C C 28 177.843 177.843 177.224 0.619 19427 4942 1 11 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.971 0.307 19427 4943 1 11 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.195 1.518 19427 4944 1 11 . 1 1 28 28 TYR H H 28 8.211 8.211 8.453 -0.242 19427 4945 1 11 . 1 1 29 29 ALA N N 29 120.477 120.477 120.647 -0.170 19427 4946 1 11 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.826 -0.064 19427 4947 1 11 . 1 1 29 29 ALA C C 29 178.739 178.739 179.573 -0.834 19427 4948 1 11 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.327 -0.142 19427 4949 1 11 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.910 0.019 19427 4950 1 11 . 1 1 29 29 ALA H H 29 9.065 9.065 8.508 0.557 19427 4951 1 11 . 1 1 30 30 ALA N N 30 118.596 118.596 120.097 -1.501 19427 4952 1 11 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.250 0.037 19427 4953 1 11 . 1 1 30 30 ALA C C 30 180.895 180.895 179.886 1.009 19427 4954 1 11 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.282 -0.206 19427 4955 1 11 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.498 -0.412 19427 4956 1 11 . 1 1 30 30 ALA H H 30 7.741 7.741 8.546 -0.805 19427 4957 1 11 . 1 1 31 31 THR N N 31 116.024 116.024 117.102 -1.078 19427 4958 1 11 . 1 1 31 31 THR HA H 31 3.995 3.995 4.008 -0.013 19427 4959 1 11 . 1 1 31 31 THR C C 31 176.687 176.687 176.552 0.135 19427 4960 1 11 . 1 1 31 31 THR CA C 31 66.452 66.452 67.594 -1.141 19427 4961 1 11 . 1 1 31 31 THR CB C 31 68.867 68.867 68.448 0.419 19427 4962 1 11 . 1 1 31 31 THR H H 31 7.914 7.914 8.060 -0.146 19427 4963 1 11 . 1 1 32 32 ILE N N 32 121.094 121.094 121.453 -0.359 19427 4964 1 11 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.580 0.235 19427 4965 1 11 . 1 1 32 32 ILE C C 32 178.583 178.583 177.844 0.739 19427 4966 1 11 . 1 1 32 32 ILE CA C 32 64.153 64.153 64.146 0.007 19427 4967 1 11 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.537 0.403 19427 4968 1 11 . 1 1 32 32 ILE H H 32 7.846 7.846 8.601 -0.755 19427 4969 1 11 . 1 1 33 33 GLN N N 33 119.832 119.832 119.131 0.701 19427 4970 1 11 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.045 -0.206 19427 4971 1 11 . 1 1 33 33 GLN C C 33 178.264 178.264 179.123 -0.859 19427 4972 1 11 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.066 0.791 19427 4973 1 11 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.578 0.787 19427 4974 1 11 . 1 1 33 33 GLN H H 33 8.374 8.374 8.101 0.273 19427 4975 1 11 . 1 1 34 34 SER N N 34 112.726 112.726 115.796 -3.070 19427 4976 1 11 . 1 1 34 34 SER HA H 34 4.333 4.333 4.235 0.098 19427 4977 1 11 . 1 1 34 34 SER C C 34 176.817 176.817 176.638 0.179 19427 4978 1 11 . 1 1 34 34 SER CA C 34 60.915 60.915 61.828 -0.913 19427 4979 1 11 . 1 1 34 34 SER CB C 34 63.235 63.235 62.803 0.432 19427 4980 1 11 . 1 1 34 34 SER H H 34 7.816 7.816 8.213 -0.397 19427 4981 1 11 . 1 1 35 35 GLN N N 35 120.724 120.724 119.662 1.062 19427 4982 1 11 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.131 0.063 19427 4983 1 11 . 1 1 35 35 GLN C C 35 177.930 177.930 178.172 -0.242 19427 4984 1 11 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.896 0.213 19427 4985 1 11 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.582 0.606 19427 4986 1 11 . 1 1 35 35 GLN H H 35 8.034 8.034 7.951 0.083 19427 4987 1 11 . 1 1 36 36 ARG N N 36 116.267 116.267 116.809 -0.542 19427 4988 1 11 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.275 0.123 19427 4989 1 11 . 1 1 36 36 ARG C C 36 177.013 177.013 178.269 -1.256 19427 4990 1 11 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.461 -0.037 19427 4991 1 11 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.842 0.576 19427 4992 1 11 . 1 1 36 36 ARG H H 36 8.091 8.091 8.366 -0.275 19427 4993 1 11 . 1 1 37 37 GLY N N 37 109.299 109.299 107.928 1.371 19427 4994 1 11 . 1 1 37 37 GLY C C 37 173.661 173.661 173.411 0.250 19427 4995 1 11 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.536 0.734 19427 4996 1 11 . 1 1 37 37 GLY H H 37 7.972 7.972 8.218 -0.246 19427 4997 1 11 . 1 1 38 38 ASP N N 38 119.246 119.246 122.368 -3.122 19427 4998 1 11 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.573 0.142 19427 4999 1 11 . 1 1 38 38 ASP C C 38 175.405 175.405 175.150 0.255 19427 5000 1 11 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.243 -0.072 19427 5001 1 11 . 1 1 38 38 ASP CB C 38 41.640 41.640 39.659 1.981 19427 5002 1 11 . 1 1 38 38 ASP H H 38 7.838 7.838 7.609 0.229 19427 5003 1 11 . 1 1 39 39 TYR N N 39 121.210 121.210 126.941 -5.731 19427 5004 1 11 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.617 -0.090 19427 5005 1 11 . 1 1 39 39 TYR C C 39 176.937 176.937 174.899 2.038 19427 5006 1 11 . 1 1 39 39 TYR CA C 39 58.128 58.128 58.371 -0.243 19427 5007 1 11 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.958 -0.370 19427 5008 1 11 . 1 1 39 39 TYR H H 39 8.202 8.202 7.992 0.210 19427 5009 1 11 . 1 1 40 40 ASN N N 40 120.622 120.622 125.151 -4.529 19427 5010 1 11 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.556 0.063 19427 5011 1 11 . 1 1 40 40 ASN C C 40 175.853 175.853 177.030 -1.177 19427 5012 1 11 . 1 1 40 40 ASN CA C 40 54.383 54.383 54.325 0.058 19427 5013 1 11 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.866 -0.360 19427 5014 1 11 . 1 1 40 40 ASN H H 40 8.393 8.393 8.970 -0.577 19427 5015 1 11 . 1 1 41 41 GLY N N 41 107.971 107.971 108.554 -0.583 19427 5016 1 11 . 1 1 41 41 GLY C C 41 173.926 173.926 174.917 -0.991 19427 5017 1 11 . 1 1 41 41 GLY CA C 41 45.930 45.930 46.070 -0.140 19427 5018 1 11 . 1 1 41 41 GLY H H 41 8.103 8.103 7.739 0.364 19427 5019 1 11 . 1 1 42 42 LYS N N 42 119.472 119.472 122.418 -2.946 19427 5020 1 11 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.213 0.276 19427 5021 1 11 . 1 1 42 42 LYS C C 42 176.201 176.201 175.868 0.333 19427 5022 1 11 . 1 1 42 42 LYS CA C 42 57.709 57.709 58.536 -0.827 19427 5023 1 11 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.581 0.764 19427 5024 1 11 . 1 1 42 42 LYS H H 42 8.652 8.652 8.001 0.651 19427 5025 1 11 . 1 1 43 43 VAL N N 43 112.852 112.852 109.182 3.670 19427 5026 1 11 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.121 0.209 19427 5027 1 11 . 1 1 43 43 VAL C C 43 174.906 174.906 173.780 1.126 19427 5028 1 11 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.086 0.178 19427 5029 1 11 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.912 0.041 19427 5030 1 11 . 1 1 43 43 VAL H H 43 7.840 7.840 7.397 0.443 19427 5031 1 11 . 1 1 44 44 LEU N N 44 123.642 123.642 119.283 4.359 19427 5032 1 11 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.765 0.024 19427 5033 1 11 . 1 1 44 44 LEU C C 44 175.260 175.260 174.538 0.722 19427 5034 1 11 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.546 -0.670 19427 5035 1 11 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.007 1.491 19427 5036 1 11 . 1 1 44 44 LEU H H 44 8.610 8.610 8.466 0.144 19427 5037 1 11 . 1 1 45 45 SER N N 45 124.267 124.267 122.076 2.191 19427 5038 1 11 . 1 1 45 45 SER HA H 45 5.052 5.052 5.399 -0.347 19427 5039 1 11 . 1 1 45 45 SER C C 45 174.246 174.246 174.929 -0.683 19427 5040 1 11 . 1 1 45 45 SER CA C 45 58.852 58.852 56.923 1.929 19427 5041 1 11 . 1 1 45 45 SER CB C 45 63.509 63.509 62.847 0.662 19427 5042 1 11 . 1 1 45 45 SER H H 45 9.111 9.111 8.508 0.603 19427 5043 1 11 . 1 1 46 46 ILE N N 46 118.924 118.924 123.199 -4.275 19427 5044 1 11 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.599 0.181 19427 5045 1 11 . 1 1 46 46 ILE C C 46 174.199 174.199 174.505 -0.306 19427 5046 1 11 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.129 0.473 19427 5047 1 11 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.602 0.993 19427 5048 1 11 . 1 1 46 46 ILE H H 46 8.542 8.542 8.916 -0.374 19427 5049 1 11 . 1 1 47 47 ARG N N 47 119.572 119.572 120.167 -0.595 19427 5050 1 11 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.346 0.519 19427 5051 1 11 . 1 1 47 47 ARG C C 47 178.511 178.511 177.886 0.625 19427 5052 1 11 . 1 1 47 47 ARG CA C 47 54.508 54.508 55.815 -1.307 19427 5053 1 11 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.056 2.262 19427 5054 1 11 . 1 1 47 47 ARG H H 47 9.488 9.488 8.745 0.743 19427 5055 1 11 . 1 1 48 48 GLN N N 48 122.809 122.809 119.776 3.033 19427 5056 1 11 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.040 -0.222 19427 5057 1 11 . 1 1 48 48 GLN C C 48 178.972 178.972 177.990 0.982 19427 5058 1 11 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.808 0.719 19427 5059 1 11 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.098 0.186 19427 5060 1 11 . 1 1 48 48 GLN H H 48 9.350 9.350 8.842 0.508 19427 5061 1 11 . 1 1 49 49 ASP N N 49 115.682 115.682 119.060 -3.378 19427 5062 1 11 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.392 -0.032 19427 5063 1 11 . 1 1 49 49 ASP C C 49 178.758 178.758 178.267 0.491 19427 5064 1 11 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.544 -0.187 19427 5065 1 11 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.446 0.037 19427 5066 1 11 . 1 1 49 49 ASP H H 49 8.855 8.855 8.528 0.327 19427 5067 1 11 . 1 1 50 50 ASP N N 50 117.926 117.926 119.488 -1.562 19427 5068 1 11 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.421 0.191 19427 5069 1 11 . 1 1 50 50 ASP C C 50 177.865 177.865 178.493 -0.628 19427 5070 1 11 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.238 0.837 19427 5071 1 11 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.676 0.963 19427 5072 1 11 . 1 1 50 50 ASP H H 50 7.519 7.519 8.325 -0.806 19427 5073 1 11 . 1 1 51 51 LEU N N 51 118.893 118.893 121.197 -2.304 19427 5074 1 11 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.915 -0.003 19427 5075 1 11 . 1 1 51 51 LEU C C 51 178.254 178.254 178.367 -0.113 19427 5076 1 11 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.997 0.132 19427 5077 1 11 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.897 -0.500 19427 5078 1 11 . 1 1 51 51 LEU H H 51 7.444 7.444 7.896 -0.452 19427 5079 1 11 . 1 1 52 52 ARG N N 52 117.366 117.366 117.381 -0.015 19427 5080 1 11 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.950 -0.040 19427 5081 1 11 . 1 1 52 52 ARG C C 52 178.886 178.886 178.627 0.259 19427 5082 1 11 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.620 0.665 19427 5083 1 11 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.945 -0.127 19427 5084 1 11 . 1 1 52 52 ARG H H 52 7.757 7.757 7.788 -0.031 19427 5085 1 11 . 1 1 53 53 THR N N 53 118.266 118.266 117.051 1.215 19427 5086 1 11 . 1 1 53 53 THR HA H 53 3.924 3.924 3.989 -0.065 19427 5087 1 11 . 1 1 53 53 THR C C 53 176.626 176.626 176.058 0.568 19427 5088 1 11 . 1 1 53 53 THR CA C 53 67.001 67.001 66.632 0.369 19427 5089 1 11 . 1 1 53 53 THR CB C 53 68.759 68.759 68.321 0.438 19427 5090 1 11 . 1 1 53 53 THR H H 53 7.973 7.973 7.591 0.382 19427 5091 1 11 . 1 1 54 54 LEU N N 54 122.030 122.030 120.981 1.049 19427 5092 1 11 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.491 0.318 19427 5093 1 11 . 1 1 54 54 LEU C C 54 177.755 177.755 177.938 -0.183 19427 5094 1 11 . 1 1 54 54 LEU CA C 54 57.823 57.823 58.158 -0.335 19427 5095 1 11 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.972 2.117 19427 5096 1 11 . 1 1 54 54 LEU H H 54 8.355 8.355 7.819 0.536 19427 5097 1 11 . 1 1 55 55 ALA N N 55 122.634 122.634 120.199 2.435 19427 5098 1 11 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.961 -0.069 19427 5099 1 11 . 1 1 55 55 ALA C C 55 179.192 179.192 179.335 -0.143 19427 5100 1 11 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.147 1.359 19427 5101 1 11 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.930 -0.766 19427 5102 1 11 . 1 1 55 55 ALA H H 55 8.195 8.195 7.468 0.727 19427 5103 1 11 . 1 1 56 56 VAL N N 56 118.079 118.079 118.203 -0.124 19427 5104 1 11 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.644 0.217 19427 5105 1 11 . 1 1 56 56 VAL C C 56 180.389 180.389 178.273 2.116 19427 5106 1 11 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.640 0.947 19427 5107 1 11 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.680 0.013 19427 5108 1 11 . 1 1 56 56 VAL H H 56 7.402 7.402 7.068 0.334 19427 5109 1 11 . 1 1 57 57 ILE N N 57 122.536 122.536 120.301 2.235 19427 5110 1 11 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.581 0.023 19427 5111 1 11 . 1 1 57 57 ILE C C 57 177.942 177.942 177.143 0.799 19427 5112 1 11 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.545 1.298 19427 5113 1 11 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.701 0.685 19427 5114 1 11 . 1 1 57 57 ILE H H 57 7.893 7.893 7.341 0.552 19427 5115 1 11 . 1 1 58 58 TYR N N 58 117.060 117.060 115.838 1.222 19427 5116 1 11 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.595 -0.464 19427 5117 1 11 . 1 1 58 58 TYR C C 58 174.728 174.728 175.199 -0.471 19427 5118 1 11 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.938 4.825 19427 5119 1 11 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.873 1.153 19427 5120 1 11 . 1 1 58 58 TYR H H 58 8.319 8.319 7.259 1.060 19427 5121 1 11 . 1 1 59 59 ASP N N 59 122.545 122.545 119.617 2.928 19427 5122 1 11 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.292 0.058 19427 5123 1 11 . 1 1 59 59 ASP C C 59 174.853 174.853 175.024 -0.171 19427 5124 1 11 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.312 -0.199 19427 5125 1 11 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.943 -0.131 19427 5126 1 11 . 1 1 59 59 ASP H H 59 8.177 8.177 7.583 0.594 19427 5127 1 11 . 1 1 60 60 GLN N N 60 116.007 116.007 119.024 -3.017 19427 5128 1 11 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.659 0.071 19427 5129 1 11 . 1 1 60 60 GLN C C 60 174.853 174.853 174.868 -0.015 19427 5130 1 11 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.742 -0.229 19427 5131 1 11 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.051 2.333 19427 5132 1 11 . 1 1 60 60 GLN H H 60 8.424 8.424 8.465 -0.041 19427 5133 1 11 . 1 1 61 61 SER N N 61 116.009 116.009 116.989 -0.980 19427 5134 1 11 . 1 1 61 61 SER HA H 61 4.783 4.783 4.668 0.115 19427 5135 1 11 . 1 1 61 61 SER CA C 61 56.443 56.443 56.387 0.056 19427 5136 1 11 . 1 1 61 61 SER CB C 61 62.811 62.811 62.713 0.098 19427 5137 1 11 . 1 1 61 61 SER H H 61 8.424 8.424 8.558 -0.134 19427 5138 1 11 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.088 -0.052 19427 5139 1 11 . 1 1 62 62 PRO C C 62 179.161 179.161 178.395 0.766 19427 5140 1 11 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.623 0.873 19427 5141 1 11 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.782 -0.002 19427 5142 1 11 . 1 1 63 63 SER N N 63 114.103 114.103 112.642 1.461 19427 5143 1 11 . 1 1 63 63 SER HA H 63 4.838 4.838 4.165 0.673 19427 5144 1 11 . 1 1 63 63 SER C C 63 176.141 176.141 176.984 -0.843 19427 5145 1 11 . 1 1 63 63 SER CB C 63 62.293 62.293 62.840 -0.547 19427 5146 1 11 . 1 1 63 63 SER H H 63 8.596 8.596 8.383 0.213 19427 5147 1 11 . 1 1 64 64 VAL N N 64 125.461 125.461 121.405 4.056 19427 5148 1 11 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.757 -0.196 19427 5149 1 11 . 1 1 64 64 VAL C C 64 178.754 178.754 177.511 1.243 19427 5150 1 11 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.394 1.038 19427 5151 1 11 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.556 0.461 19427 5152 1 11 . 1 1 64 64 VAL H H 64 7.381 7.381 7.740 -0.359 19427 5153 1 11 . 1 1 65 65 LEU N N 65 121.843 121.843 122.060 -0.217 19427 5154 1 11 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.974 -0.075 19427 5155 1 11 . 1 1 65 65 LEU C C 65 178.836 178.836 178.243 0.593 19427 5156 1 11 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.494 -1.182 19427 5157 1 11 . 1 1 65 65 LEU CB C 65 41.255 41.255 41.031 0.224 19427 5158 1 11 . 1 1 65 65 LEU H H 65 8.437 8.437 7.966 0.471 19427 5159 1 11 . 1 1 66 66 THR N N 66 115.794 115.794 112.211 3.583 19427 5160 1 11 . 1 1 66 66 THR HA H 66 3.321 3.321 3.888 -0.567 19427 5161 1 11 . 1 1 66 66 THR C C 66 175.591 175.591 176.679 -1.088 19427 5162 1 11 . 1 1 66 66 THR CA C 66 69.056 69.056 66.444 2.612 19427 5163 1 11 . 1 1 66 66 THR CB C 66 67.992 67.992 68.164 -0.172 19427 5164 1 11 . 1 1 66 66 THR H H 66 8.079 8.079 7.920 0.159 19427 5165 1 11 . 1 1 67 67 GLU N N 67 118.543 118.543 121.416 -2.873 19427 5166 1 11 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.933 -0.092 19427 5167 1 11 . 1 1 67 67 GLU C C 67 179.342 179.342 179.240 0.102 19427 5168 1 11 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.126 0.099 19427 5169 1 11 . 1 1 67 67 GLU CB C 67 28.921 28.921 28.408 0.513 19427 5170 1 11 . 1 1 67 67 GLU H H 67 7.594 7.594 7.507 0.087 19427 5171 1 11 . 1 1 68 68 GLN N N 68 120.882 120.882 119.081 1.801 19427 5172 1 11 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.713 -0.013 19427 5173 1 11 . 1 1 68 68 GLN C C 68 177.403 177.403 177.867 -0.464 19427 5174 1 11 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.312 0.082 19427 5175 1 11 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.032 0.342 19427 5176 1 11 . 1 1 68 68 GLN H H 68 7.847 7.847 8.152 -0.305 19427 5177 1 11 . 1 1 69 69 LEU N N 69 118.421 118.421 119.012 -0.591 19427 5178 1 11 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.383 0.090 19427 5179 1 11 . 1 1 69 69 LEU C C 69 180.177 180.177 178.816 1.361 19427 5180 1 11 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.332 1.081 19427 5181 1 11 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.457 -0.486 19427 5182 1 11 . 1 1 69 69 LEU H H 69 7.986 7.986 7.204 0.782 19427 5183 1 11 . 1 1 70 70 ILE N N 70 121.346 121.346 120.377 0.969 19427 5184 1 11 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.009 0.151 19427 5185 1 11 . 1 1 70 70 ILE C C 70 180.910 180.910 178.486 2.424 19427 5186 1 11 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.707 0.344 19427 5187 1 11 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.942 0.403 19427 5188 1 11 . 1 1 70 70 ILE H H 70 8.262 8.262 8.248 0.014 19427 5189 1 11 . 1 1 71 71 SER N N 71 120.236 120.236 115.382 4.854 19427 5190 1 11 . 1 1 71 71 SER HA H 71 4.273 4.273 4.231 0.042 19427 5191 1 11 . 1 1 71 71 SER C C 71 177.045 177.045 175.936 1.109 19427 5192 1 11 . 1 1 71 71 SER CA C 71 62.544 62.544 61.491 1.053 19427 5193 1 11 . 1 1 71 71 SER CB C 71 62.839 62.839 62.952 -0.112 19427 5194 1 11 . 1 1 71 71 SER H H 71 8.388 8.388 8.194 0.194 19427 5195 1 11 . 1 1 72 72 TRP N N 72 119.364 119.364 118.462 0.902 19427 5196 1 11 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.732 0.194 19427 5197 1 11 . 1 1 72 72 TRP C C 72 176.839 176.839 176.704 0.135 19427 5198 1 11 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.449 0.315 19427 5199 1 11 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.491 1.773 19427 5200 1 11 . 1 1 72 72 TRP H H 72 8.066 8.066 7.687 0.379 19427 5201 1 11 . 1 1 73 73 GLY N N 73 106.514 106.514 105.752 0.762 19427 5202 1 11 . 1 1 73 73 GLY C C 73 174.697 174.697 174.710 -0.013 19427 5203 1 11 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.672 -0.269 19427 5204 1 11 . 1 1 73 73 GLY H H 73 8.242 8.242 7.765 0.477 19427 5205 1 11 . 1 1 74 74 VAL N N 74 114.793 114.793 117.688 -2.895 19427 5206 1 11 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.129 0.068 19427 5207 1 11 . 1 1 74 74 VAL C C 74 174.015 174.015 175.398 -1.383 19427 5208 1 11 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.417 -0.304 19427 5209 1 11 . 1 1 74 74 VAL CB C 74 32.849 32.849 33.033 -0.184 19427 5210 1 11 . 1 1 74 74 VAL H H 74 7.834 7.834 8.344 -0.510 19427 5211 1 11 . 1 1 75 75 LEU N N 75 118.357 118.357 119.724 -1.367 19427 5212 1 11 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.575 0.336 19427 5213 1 11 . 1 1 75 75 LEU C C 75 175.022 175.022 174.911 0.111 19427 5214 1 11 . 1 1 75 75 LEU CA C 75 52.632 52.632 53.325 -0.693 19427 5215 1 11 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.090 2.068 19427 5216 1 11 . 1 1 75 75 LEU H H 75 6.898 6.898 7.561 -0.663 19427 5217 1 11 . 1 1 76 76 ASP N N 76 122.400 122.400 121.691 0.709 19427 5218 1 11 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.743 -0.140 19427 5219 1 11 . 1 1 76 76 ASP C C 76 176.384 176.384 176.664 -0.280 19427 5220 1 11 . 1 1 76 76 ASP CA C 76 54.383 54.383 53.152 1.231 19427 5221 1 11 . 1 1 76 76 ASP CB C 76 43.227 43.227 44.036 -0.809 19427 5222 1 11 . 1 1 76 76 ASP H H 76 8.412 8.412 8.634 -0.222 19427 5223 1 11 . 1 1 77 77 ALA N N 77 123.828 123.828 126.290 -2.462 19427 5224 1 11 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.050 0.004 19427 5225 1 11 . 1 1 77 77 ALA C C 77 179.068 179.068 178.920 0.148 19427 5226 1 11 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.425 0.306 19427 5227 1 11 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.709 0.041 19427 5228 1 11 . 1 1 77 77 ALA H H 77 8.601 8.601 8.648 -0.047 19427 5229 1 11 . 1 1 78 78 ASP N N 78 118.882 118.882 119.710 -0.828 19427 5230 1 11 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.324 0.189 19427 5231 1 11 . 1 1 78 78 ASP C C 78 174.868 174.868 178.026 -3.158 19427 5232 1 11 . 1 1 78 78 ASP CA C 78 56.278 56.278 57.166 -0.888 19427 5233 1 11 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.844 0.064 19427 5234 1 11 . 1 1 78 78 ASP H H 78 8.791 8.791 8.790 0.001 19427 5235 1 11 . 1 1 79 79 ALA N N 79 121.027 121.027 121.500 -0.473 19427 5236 1 11 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.133 -0.132 19427 5237 1 11 . 1 1 79 79 ALA C C 79 178.803 178.803 179.669 -0.866 19427 5238 1 11 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.563 -0.172 19427 5239 1 11 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.457 1.463 19427 5240 1 11 . 1 1 79 79 ALA H H 79 8.287 8.287 7.648 0.639 19427 5241 1 11 . 1 1 80 80 ARG N N 80 115.805 115.805 117.303 -1.498 19427 5242 1 11 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.990 -0.066 19427 5243 1 11 . 1 1 80 80 ARG C C 80 178.254 178.254 178.086 0.168 19427 5244 1 11 . 1 1 80 80 ARG CA C 80 59.229 59.229 59.109 0.119 19427 5245 1 11 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.850 0.407 19427 5246 1 11 . 1 1 80 80 ARG H H 80 7.689 7.689 7.636 0.053 19427 5247 1 11 . 1 1 81 81 ARG N N 81 117.554 117.554 118.481 -0.927 19427 5248 1 11 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.496 -0.290 19427 5249 1 11 . 1 1 81 81 ARG C C 81 177.214 177.214 177.390 -0.176 19427 5250 1 11 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.136 0.556 19427 5251 1 11 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.641 0.601 19427 5252 1 11 . 1 1 81 81 ARG H H 81 7.782 7.782 7.754 0.028 19427 5253 1 11 . 1 1 82 82 ALA N N 82 121.590 121.590 118.529 3.061 19427 5254 1 11 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.299 -0.020 19427 5255 1 11 . 1 1 82 82 ALA C C 82 177.798 177.798 177.610 0.188 19427 5256 1 11 . 1 1 82 82 ALA CA C 82 53.255 53.255 53.077 0.178 19427 5257 1 11 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.053 0.510 19427 5258 1 11 . 1 1 82 82 ALA H H 82 7.875 7.875 7.643 0.232 19427 5259 1 11 . 1 1 83 83 VAL N N 83 114.483 114.483 117.390 -2.907 19427 5260 1 11 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.058 0.083 19427 5261 1 11 . 1 1 83 83 VAL C C 83 175.572 175.572 175.915 -0.343 19427 5262 1 11 . 1 1 83 83 VAL CA C 83 62.041 62.041 63.681 -1.641 19427 5263 1 11 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.802 -0.021 19427 5264 1 11 . 1 1 83 83 VAL H H 83 7.503 7.503 7.441 0.062 19427 5265 1 11 . 1 1 84 84 ALA N N 84 125.870 125.870 120.659 5.211 19427 5266 1 11 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.796 -0.475 19427 5267 1 11 . 1 1 84 84 ALA C C 84 177.696 177.696 175.678 2.018 19427 5268 1 11 . 1 1 84 84 ALA CA C 84 52.771 52.771 51.289 1.482 19427 5269 1 11 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.725 -1.213 19427 5270 1 11 . 1 1 84 84 ALA H H 84 7.876 7.876 8.044 -0.168 19427 5271 1 11 . 1 1 85 85 SER N N 85 114.965 114.965 112.735 2.230 19427 5272 1 11 . 1 1 85 85 SER HA H 85 4.396 4.396 4.153 0.243 19427 5273 1 11 . 1 1 85 85 SER CA C 85 58.393 58.393 59.391 -0.998 19427 5274 1 11 . 1 1 85 85 SER CB C 85 63.915 63.915 60.957 2.958 19427 5275 1 11 . 1 1 85 85 SER H H 85 8.521 8.521 8.680 -0.159 19427 5276 1 11 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.738 -0.072 19427 5277 1 11 . 1 1 86 86 HIS C C 86 174.868 174.868 174.608 0.260 19427 5278 1 11 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.470 -0.149 19427 5279 1 11 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.800 -0.488 19427 5280 1 11 . 1 1 87 87 ASP N N 87 121.205 121.205 122.762 -1.557 19427 5281 1 11 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.675 -0.072 19427 5282 1 11 . 1 1 87 87 ASP C C 87 175.917 175.917 174.585 1.332 19427 5283 1 11 . 1 1 87 87 ASP CA C 87 54.577 54.577 52.905 1.672 19427 5284 1 11 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.936 -1.680 19427 5285 1 11 . 1 1 87 87 ASP H H 87 8.326 8.326 7.750 0.576 19427 5286 1 11 . 1 1 88 88 GLU N N 88 121.167 121.167 120.939 0.228 19427 5287 1 11 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.428 -0.111 19427 5288 1 11 . 1 1 88 88 GLU C C 88 175.455 175.455 175.952 -0.497 19427 5289 1 11 . 1 1 88 88 GLU CA C 88 56.372 56.372 55.956 0.416 19427 5290 1 11 . 1 1 88 88 GLU CB C 88 30.373 30.373 29.401 0.972 19427 5291 1 11 . 1 1 88 88 GLU H H 88 8.352 8.352 8.421 -0.069 19427 5292 1 12 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.492 -0.091 19427 5293 1 12 . 1 1 5 5 PRO C C 5 176.334 176.334 175.813 0.521 19427 5294 1 12 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.600 0.183 19427 5295 1 12 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.399 -0.045 19427 5296 1 12 . 1 1 6 6 LYS N N 6 121.980 121.980 119.928 2.052 19427 5297 1 12 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.431 -0.057 19427 5298 1 12 . 1 1 6 6 LYS C C 6 175.715 175.715 175.874 -0.159 19427 5299 1 12 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.127 1.044 19427 5300 1 12 . 1 1 6 6 LYS CB C 6 33.270 33.270 34.528 -1.258 19427 5301 1 12 . 1 1 6 6 LYS H H 6 8.546 8.546 8.030 0.516 19427 5302 1 12 . 1 1 7 7 LEU N N 7 125.018 125.018 125.830 -0.812 19427 5303 1 12 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.566 -0.043 19427 5304 1 12 . 1 1 7 7 LEU C C 7 174.994 174.994 175.455 -0.461 19427 5305 1 12 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.997 0.053 19427 5306 1 12 . 1 1 7 7 LEU CB C 7 43.171 43.171 42.923 0.248 19427 5307 1 12 . 1 1 7 7 LEU H H 7 8.620 8.620 8.942 -0.322 19427 5308 1 12 . 1 1 8 8 VAL N N 8 121.522 121.522 125.344 -3.822 19427 5309 1 12 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.549 -0.002 19427 5310 1 12 . 1 1 8 8 VAL C C 8 175.042 175.042 174.873 0.169 19427 5311 1 12 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.187 0.019 19427 5312 1 12 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.733 2.863 19427 5313 1 12 . 1 1 8 8 VAL H H 8 8.084 8.084 8.725 -0.641 19427 5314 1 12 . 1 1 9 9 LEU N N 9 126.312 126.312 129.978 -3.666 19427 5315 1 12 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.074 -0.134 19427 5316 1 12 . 1 1 9 9 LEU C C 9 175.831 175.831 174.619 1.212 19427 5317 1 12 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.233 0.314 19427 5318 1 12 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.829 -0.596 19427 5319 1 12 . 1 1 9 9 LEU H H 9 9.137 9.137 9.245 -0.108 19427 5320 1 12 . 1 1 10 10 ASP N N 10 123.236 123.236 127.690 -4.454 19427 5321 1 12 . 1 1 10 10 ASP HA H 10 4.848 4.848 5.079 -0.231 19427 5322 1 12 . 1 1 10 10 ASP C C 10 176.685 176.685 176.864 -0.179 19427 5323 1 12 . 1 1 10 10 ASP CA C 10 53.593 53.593 53.809 -0.216 19427 5324 1 12 . 1 1 10 10 ASP CB C 10 40.820 40.820 42.304 -1.484 19427 5325 1 12 . 1 1 10 10 ASP H H 10 9.002 9.002 9.085 -0.083 19427 5326 1 12 . 1 1 11 11 LEU N N 11 124.059 124.059 126.091 -2.032 19427 5327 1 12 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.181 -0.115 19427 5328 1 12 . 1 1 11 11 LEU C C 11 180.169 180.169 178.552 1.617 19427 5329 1 12 . 1 1 11 11 LEU CA C 11 57.013 57.013 56.821 0.192 19427 5330 1 12 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.078 -1.228 19427 5331 1 12 . 1 1 11 11 LEU H H 11 8.273 8.273 9.092 -0.819 19427 5332 1 12 . 1 1 12 12 GLU N N 12 121.967 121.967 119.718 2.249 19427 5333 1 12 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.064 0.110 19427 5334 1 12 . 1 1 12 12 GLU C C 12 179.719 179.719 178.698 1.021 19427 5335 1 12 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.279 0.349 19427 5336 1 12 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.618 -0.058 19427 5337 1 12 . 1 1 12 12 GLU H H 12 8.273 8.273 8.144 0.129 19427 5338 1 12 . 1 1 13 13 ARG N N 13 119.595 119.595 120.546 -0.951 19427 5339 1 12 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.131 0.041 19427 5340 1 12 . 1 1 13 13 ARG C C 13 179.909 179.909 179.262 0.647 19427 5341 1 12 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.376 -1.065 19427 5342 1 12 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.917 -0.362 19427 5343 1 12 . 1 1 13 13 ARG H H 13 8.081 8.081 9.188 -1.107 19427 5344 1 12 . 1 1 14 14 LEU N N 14 120.325 120.325 120.104 0.221 19427 5345 1 12 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.152 -0.205 19427 5346 1 12 . 1 1 14 14 LEU C C 14 177.166 177.166 178.194 -1.028 19427 5347 1 12 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.423 0.151 19427 5348 1 12 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.814 -0.016 19427 5349 1 12 . 1 1 14 14 LEU H H 14 8.205 8.205 7.798 0.407 19427 5350 1 12 . 1 1 15 15 ALA N N 15 117.835 117.835 118.564 -0.729 19427 5351 1 12 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.230 -0.105 19427 5352 1 12 . 1 1 15 15 ALA C C 15 178.500 178.500 178.053 0.447 19427 5353 1 12 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.795 0.525 19427 5354 1 12 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.645 0.067 19427 5355 1 12 . 1 1 15 15 ALA H H 15 7.265 7.265 7.390 -0.125 19427 5356 1 12 . 1 1 16 16 THR N N 16 105.967 105.967 112.435 -6.468 19427 5357 1 12 . 1 1 16 16 THR HA H 16 4.378 4.378 4.351 0.027 19427 5358 1 12 . 1 1 16 16 THR C C 16 174.639 174.639 174.359 0.280 19427 5359 1 12 . 1 1 16 16 THR CA C 16 61.642 61.642 62.705 -1.063 19427 5360 1 12 . 1 1 16 16 THR CB C 16 69.957 69.957 69.285 0.672 19427 5361 1 12 . 1 1 16 16 THR H H 16 7.530 7.530 7.584 -0.054 19427 5362 1 12 . 1 1 17 17 VAL N N 17 126.962 126.962 124.392 2.570 19427 5363 1 12 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.221 -0.236 19427 5364 1 12 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.257 1.278 19427 5365 1 12 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.991 0.397 19427 5366 1 12 . 1 1 17 17 VAL H H 17 7.208 7.208 7.242 -0.034 19427 5367 1 12 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.186 0.082 19427 5368 1 12 . 1 1 18 18 PRO C C 18 178.094 178.094 177.356 0.738 19427 5369 1 12 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.467 0.381 19427 5370 1 12 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.347 0.364 19427 5371 1 12 . 1 1 19 19 ALA N N 19 128.383 128.383 127.587 0.796 19427 5372 1 12 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.929 0.015 19427 5373 1 12 . 1 1 19 19 ALA C C 19 180.008 180.008 179.591 0.417 19427 5374 1 12 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.529 0.788 19427 5375 1 12 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.803 0.111 19427 5376 1 12 . 1 1 19 19 ALA H H 19 8.872 8.872 8.578 0.294 19427 5377 1 12 . 1 1 20 20 GLU N N 20 118.522 118.522 117.803 0.719 19427 5378 1 12 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.064 0.050 19427 5379 1 12 . 1 1 20 20 GLU C C 20 177.573 177.573 177.833 -0.260 19427 5380 1 12 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.637 0.999 19427 5381 1 12 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.372 -0.534 19427 5382 1 12 . 1 1 20 20 GLU H H 20 9.459 9.459 8.546 0.913 19427 5383 1 12 . 1 1 21 21 LYS N N 21 115.147 115.147 116.930 -1.783 19427 5384 1 12 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.210 0.442 19427 5385 1 12 . 1 1 21 21 LYS C C 21 177.045 177.045 177.763 -0.718 19427 5386 1 12 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.414 -0.427 19427 5387 1 12 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.182 0.770 19427 5388 1 12 . 1 1 21 21 LYS H H 21 7.441 7.441 7.623 -0.182 19427 5389 1 12 . 1 1 22 22 ALA N N 22 119.898 119.898 120.268 -0.370 19427 5390 1 12 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.259 -0.115 19427 5391 1 12 . 1 1 22 22 ALA C C 22 177.520 177.520 179.013 -1.493 19427 5392 1 12 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.732 0.449 19427 5393 1 12 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.462 1.768 19427 5394 1 12 . 1 1 22 22 ALA H H 22 8.096 8.096 8.175 -0.079 19427 5395 1 12 . 1 1 23 23 GLY N N 23 107.148 107.148 108.877 -1.729 19427 5396 1 12 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.901 1.111 19427 5397 1 12 . 1 1 23 23 GLY H H 23 8.484 8.484 8.058 0.426 19427 5398 1 12 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.400 -0.226 19427 5399 1 12 . 1 1 24 24 PRO C C 24 179.318 179.318 178.164 1.154 19427 5400 1 12 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.173 0.780 19427 5401 1 12 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.307 0.064 19427 5402 1 12 . 1 1 25 25 LEU N N 25 118.416 118.416 120.654 -2.238 19427 5403 1 12 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.587 -0.231 19427 5404 1 12 . 1 1 25 25 LEU C C 25 177.871 177.871 179.034 -1.163 19427 5405 1 12 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.132 0.803 19427 5406 1 12 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.537 0.813 19427 5407 1 12 . 1 1 25 25 LEU H H 25 7.394 7.394 7.680 -0.286 19427 5408 1 12 . 1 1 26 26 GLN N N 26 119.819 119.819 118.500 1.319 19427 5409 1 12 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.957 -0.063 19427 5410 1 12 . 1 1 26 26 GLN C C 26 179.865 179.865 178.689 1.176 19427 5411 1 12 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.598 0.173 19427 5412 1 12 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.432 -0.878 19427 5413 1 12 . 1 1 26 26 GLN H H 26 8.885 8.885 8.642 0.243 19427 5414 1 12 . 1 1 27 27 ARG N N 27 119.761 119.761 120.205 -0.444 19427 5415 1 12 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.037 0.104 19427 5416 1 12 . 1 1 27 27 ARG C C 27 178.950 178.950 179.021 -0.071 19427 5417 1 12 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.724 -0.088 19427 5418 1 12 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.279 0.137 19427 5419 1 12 . 1 1 27 27 ARG H H 27 8.694 8.694 7.967 0.727 19427 5420 1 12 . 1 1 28 28 TYR N N 28 122.540 122.540 120.769 1.771 19427 5421 1 12 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.357 -0.186 19427 5422 1 12 . 1 1 28 28 TYR C C 28 177.843 177.843 177.146 0.697 19427 5423 1 12 . 1 1 28 28 TYR CA C 28 62.278 62.278 60.867 1.411 19427 5424 1 12 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.787 0.926 19427 5425 1 12 . 1 1 28 28 TYR H H 28 8.211 8.211 8.384 -0.173 19427 5426 1 12 . 1 1 29 29 ALA N N 29 120.477 120.477 121.973 -1.496 19427 5427 1 12 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.906 -0.144 19427 5428 1 12 . 1 1 29 29 ALA C C 29 178.739 178.739 179.209 -0.470 19427 5429 1 12 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.222 -0.037 19427 5430 1 12 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.859 0.070 19427 5431 1 12 . 1 1 29 29 ALA H H 29 9.065 9.065 8.581 0.484 19427 5432 1 12 . 1 1 30 30 ALA N N 30 118.596 118.596 120.446 -1.850 19427 5433 1 12 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.023 0.264 19427 5434 1 12 . 1 1 30 30 ALA C C 30 180.895 180.895 179.614 1.281 19427 5435 1 12 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.224 -0.148 19427 5436 1 12 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.237 -0.151 19427 5437 1 12 . 1 1 30 30 ALA H H 30 7.741 7.741 8.371 -0.630 19427 5438 1 12 . 1 1 31 31 THR N N 31 116.024 116.024 116.276 -0.252 19427 5439 1 12 . 1 1 31 31 THR HA H 31 3.995 3.995 3.901 0.094 19427 5440 1 12 . 1 1 31 31 THR C C 31 176.687 176.687 176.451 0.236 19427 5441 1 12 . 1 1 31 31 THR CA C 31 66.452 66.452 67.504 -1.052 19427 5442 1 12 . 1 1 31 31 THR CB C 31 68.867 68.867 68.310 0.557 19427 5443 1 12 . 1 1 31 31 THR H H 31 7.914 7.914 7.550 0.364 19427 5444 1 12 . 1 1 32 32 ILE N N 32 121.094 121.094 122.024 -0.930 19427 5445 1 12 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.450 0.365 19427 5446 1 12 . 1 1 32 32 ILE C C 32 178.583 178.583 177.623 0.960 19427 5447 1 12 . 1 1 32 32 ILE CA C 32 64.153 64.153 65.611 -1.458 19427 5448 1 12 . 1 1 32 32 ILE CB C 32 36.940 36.940 37.334 -0.394 19427 5449 1 12 . 1 1 32 32 ILE H H 32 7.846 7.846 8.209 -0.363 19427 5450 1 12 . 1 1 33 33 GLN N N 33 119.832 119.832 119.009 0.823 19427 5451 1 12 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.823 0.016 19427 5452 1 12 . 1 1 33 33 GLN C C 33 178.264 178.264 178.443 -0.179 19427 5453 1 12 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.571 0.287 19427 5454 1 12 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.436 0.929 19427 5455 1 12 . 1 1 33 33 GLN H H 33 8.374 8.374 8.512 -0.138 19427 5456 1 12 . 1 1 34 34 SER N N 34 112.726 112.726 115.545 -2.819 19427 5457 1 12 . 1 1 34 34 SER HA H 34 4.333 4.333 4.139 0.194 19427 5458 1 12 . 1 1 34 34 SER C C 34 176.817 176.817 177.190 -0.373 19427 5459 1 12 . 1 1 34 34 SER CA C 34 60.915 60.915 61.410 -0.495 19427 5460 1 12 . 1 1 34 34 SER CB C 34 63.235 63.235 62.970 0.265 19427 5461 1 12 . 1 1 34 34 SER H H 34 7.816 7.816 8.001 -0.185 19427 5462 1 12 . 1 1 35 35 GLN N N 35 120.724 120.724 121.585 -0.861 19427 5463 1 12 . 1 1 35 35 GLN HA H 35 4.194 4.194 3.998 0.196 19427 5464 1 12 . 1 1 35 35 GLN C C 35 177.930 177.930 178.144 -0.214 19427 5465 1 12 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.682 -0.573 19427 5466 1 12 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.865 0.323 19427 5467 1 12 . 1 1 35 35 GLN H H 35 8.034 8.034 7.927 0.107 19427 5468 1 12 . 1 1 36 36 ARG N N 36 116.267 116.267 116.616 -0.349 19427 5469 1 12 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.309 0.089 19427 5470 1 12 . 1 1 36 36 ARG C C 36 177.013 177.013 176.957 0.056 19427 5471 1 12 . 1 1 36 36 ARG CA C 36 56.424 56.424 55.352 1.072 19427 5472 1 12 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.343 1.075 19427 5473 1 12 . 1 1 36 36 ARG H H 36 8.091 8.091 8.034 0.057 19427 5474 1 12 . 1 1 37 37 GLY N N 37 109.299 109.299 108.175 1.124 19427 5475 1 12 . 1 1 37 37 GLY C C 37 173.661 173.661 174.302 -0.641 19427 5476 1 12 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.686 0.584 19427 5477 1 12 . 1 1 37 37 GLY H H 37 7.972 7.972 7.546 0.426 19427 5478 1 12 . 1 1 38 38 ASP N N 38 119.246 119.246 119.324 -0.078 19427 5479 1 12 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.317 0.398 19427 5480 1 12 . 1 1 38 38 ASP C C 38 175.405 175.405 175.195 0.210 19427 5481 1 12 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.327 -0.156 19427 5482 1 12 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.694 -1.054 19427 5483 1 12 . 1 1 38 38 ASP H H 38 7.838 7.838 8.270 -0.432 19427 5484 1 12 . 1 1 39 39 TYR N N 39 121.210 121.210 118.977 2.233 19427 5485 1 12 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.864 -0.337 19427 5486 1 12 . 1 1 39 39 TYR C C 39 176.937 176.937 174.722 2.215 19427 5487 1 12 . 1 1 39 39 TYR CA C 39 58.128 58.128 56.666 1.462 19427 5488 1 12 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.599 -0.011 19427 5489 1 12 . 1 1 39 39 TYR H H 39 8.202 8.202 7.729 0.473 19427 5490 1 12 . 1 1 40 40 ASN N N 40 120.622 120.622 120.557 0.065 19427 5491 1 12 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.661 -0.042 19427 5492 1 12 . 1 1 40 40 ASN C C 40 175.853 175.853 176.960 -1.107 19427 5493 1 12 . 1 1 40 40 ASN CA C 40 54.383 54.383 54.818 -0.435 19427 5494 1 12 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.318 0.188 19427 5495 1 12 . 1 1 40 40 ASN H H 40 8.393 8.393 9.056 -0.663 19427 5496 1 12 . 1 1 41 41 GLY N N 41 107.971 107.971 106.642 1.329 19427 5497 1 12 . 1 1 41 41 GLY C C 41 173.926 173.926 173.844 0.082 19427 5498 1 12 . 1 1 41 41 GLY CA C 41 45.930 45.930 46.046 -0.116 19427 5499 1 12 . 1 1 41 41 GLY H H 41 8.103 8.103 8.612 -0.509 19427 5500 1 12 . 1 1 42 42 LYS N N 42 119.472 119.472 118.508 0.964 19427 5501 1 12 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.443 0.046 19427 5502 1 12 . 1 1 42 42 LYS C C 42 176.201 176.201 175.243 0.958 19427 5503 1 12 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.556 0.153 19427 5504 1 12 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.735 0.610 19427 5505 1 12 . 1 1 42 42 LYS H H 42 8.652 8.652 8.037 0.615 19427 5506 1 12 . 1 1 43 43 VAL N N 43 112.852 112.852 114.299 -1.447 19427 5507 1 12 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.228 0.102 19427 5508 1 12 . 1 1 43 43 VAL C C 43 174.906 174.906 174.732 0.174 19427 5509 1 12 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.469 -0.205 19427 5510 1 12 . 1 1 43 43 VAL CB C 43 35.953 35.953 34.203 1.750 19427 5511 1 12 . 1 1 43 43 VAL H H 43 7.840 7.840 7.612 0.228 19427 5512 1 12 . 1 1 44 44 LEU N N 44 123.642 123.642 126.165 -2.523 19427 5513 1 12 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.809 -0.020 19427 5514 1 12 . 1 1 44 44 LEU C C 44 175.260 175.260 175.003 0.257 19427 5515 1 12 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.487 0.389 19427 5516 1 12 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.633 1.865 19427 5517 1 12 . 1 1 44 44 LEU H H 44 8.610 8.610 9.065 -0.455 19427 5518 1 12 . 1 1 45 45 SER N N 45 124.267 124.267 122.579 1.688 19427 5519 1 12 . 1 1 45 45 SER HA H 45 5.052 5.052 5.292 -0.240 19427 5520 1 12 . 1 1 45 45 SER C C 45 174.246 174.246 174.212 0.034 19427 5521 1 12 . 1 1 45 45 SER CA C 45 58.852 58.852 57.126 1.726 19427 5522 1 12 . 1 1 45 45 SER CB C 45 63.509 63.509 63.330 0.179 19427 5523 1 12 . 1 1 45 45 SER H H 45 9.111 9.111 8.637 0.474 19427 5524 1 12 . 1 1 46 46 ILE N N 46 118.924 118.924 122.435 -3.511 19427 5525 1 12 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.725 0.055 19427 5526 1 12 . 1 1 46 46 ILE C C 46 174.199 174.199 173.771 0.428 19427 5527 1 12 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.774 0.828 19427 5528 1 12 . 1 1 46 46 ILE CB C 46 41.595 41.595 41.403 0.192 19427 5529 1 12 . 1 1 46 46 ILE H H 46 8.542 8.542 8.892 -0.350 19427 5530 1 12 . 1 1 47 47 ARG N N 47 119.572 119.572 119.707 -0.135 19427 5531 1 12 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.828 0.037 19427 5532 1 12 . 1 1 47 47 ARG C C 47 178.511 178.511 177.858 0.653 19427 5533 1 12 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.251 0.257 19427 5534 1 12 . 1 1 47 47 ARG CB C 47 33.318 33.318 33.547 -0.229 19427 5535 1 12 . 1 1 47 47 ARG H H 47 9.488 9.488 8.890 0.598 19427 5536 1 12 . 1 1 48 48 GLN N N 48 122.809 122.809 121.098 1.711 19427 5537 1 12 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.013 -0.195 19427 5538 1 12 . 1 1 48 48 GLN C C 48 178.972 178.972 177.354 1.618 19427 5539 1 12 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.445 1.082 19427 5540 1 12 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.196 0.088 19427 5541 1 12 . 1 1 48 48 GLN H H 48 9.350 9.350 9.062 0.288 19427 5542 1 12 . 1 1 49 49 ASP N N 49 115.682 115.682 117.511 -1.829 19427 5543 1 12 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.408 -0.048 19427 5544 1 12 . 1 1 49 49 ASP C C 49 178.758 178.758 177.777 0.981 19427 5545 1 12 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.911 0.445 19427 5546 1 12 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.121 0.362 19427 5547 1 12 . 1 1 49 49 ASP H H 49 8.855 8.855 8.867 -0.012 19427 5548 1 12 . 1 1 50 50 ASP N N 50 117.926 117.926 121.765 -3.839 19427 5549 1 12 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.496 0.116 19427 5550 1 12 . 1 1 50 50 ASP C C 50 177.865 177.865 178.670 -0.805 19427 5551 1 12 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.343 0.732 19427 5552 1 12 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.998 0.641 19427 5553 1 12 . 1 1 50 50 ASP H H 50 7.519 7.519 7.462 0.057 19427 5554 1 12 . 1 1 51 51 LEU N N 51 118.893 118.893 120.640 -1.747 19427 5555 1 12 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.048 -0.136 19427 5556 1 12 . 1 1 51 51 LEU C C 51 178.254 178.254 178.244 0.010 19427 5557 1 12 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.599 0.530 19427 5558 1 12 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.994 -0.597 19427 5559 1 12 . 1 1 51 51 LEU H H 51 7.444 7.444 8.044 -0.600 19427 5560 1 12 . 1 1 52 52 ARG N N 52 117.366 117.366 116.316 1.050 19427 5561 1 12 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.972 -0.062 19427 5562 1 12 . 1 1 52 52 ARG C C 52 178.886 178.886 178.178 0.708 19427 5563 1 12 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.276 1.010 19427 5564 1 12 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.552 0.266 19427 5565 1 12 . 1 1 52 52 ARG H H 52 7.757 7.757 8.369 -0.612 19427 5566 1 12 . 1 1 53 53 THR N N 53 118.266 118.266 117.350 0.916 19427 5567 1 12 . 1 1 53 53 THR HA H 53 3.924 3.924 4.065 -0.141 19427 5568 1 12 . 1 1 53 53 THR C C 53 176.626 176.626 176.161 0.465 19427 5569 1 12 . 1 1 53 53 THR CA C 53 67.001 67.001 66.361 0.640 19427 5570 1 12 . 1 1 53 53 THR CB C 53 68.759 68.759 68.441 0.318 19427 5571 1 12 . 1 1 53 53 THR H H 53 7.973 7.973 7.751 0.222 19427 5572 1 12 . 1 1 54 54 LEU N N 54 122.030 122.030 121.052 0.978 19427 5573 1 12 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.430 0.379 19427 5574 1 12 . 1 1 54 54 LEU C C 54 177.755 177.755 177.872 -0.117 19427 5575 1 12 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.593 0.230 19427 5576 1 12 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.813 2.276 19427 5577 1 12 . 1 1 54 54 LEU H H 54 8.355 8.355 7.390 0.965 19427 5578 1 12 . 1 1 55 55 ALA N N 55 122.634 122.634 121.208 1.426 19427 5579 1 12 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.936 -0.044 19427 5580 1 12 . 1 1 55 55 ALA C C 55 179.192 179.192 179.178 0.014 19427 5581 1 12 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.219 1.286 19427 5582 1 12 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.057 -0.893 19427 5583 1 12 . 1 1 55 55 ALA H H 55 8.195 8.195 7.524 0.671 19427 5584 1 12 . 1 1 56 56 VAL N N 56 118.079 118.079 118.434 -0.355 19427 5585 1 12 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.651 0.210 19427 5586 1 12 . 1 1 56 56 VAL C C 56 180.389 180.389 178.090 2.299 19427 5587 1 12 . 1 1 56 56 VAL CA C 56 66.587 66.587 66.429 0.158 19427 5588 1 12 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.728 -0.035 19427 5589 1 12 . 1 1 56 56 VAL H H 56 7.402 7.402 7.154 0.248 19427 5590 1 12 . 1 1 57 57 ILE N N 57 122.536 122.536 119.155 3.381 19427 5591 1 12 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.575 0.029 19427 5592 1 12 . 1 1 57 57 ILE C C 57 177.942 177.942 177.392 0.550 19427 5593 1 12 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.657 1.186 19427 5594 1 12 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.648 0.738 19427 5595 1 12 . 1 1 57 57 ILE H H 57 7.893 7.893 7.069 0.824 19427 5596 1 12 . 1 1 58 58 TYR N N 58 117.060 117.060 116.504 0.556 19427 5597 1 12 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.556 -0.425 19427 5598 1 12 . 1 1 58 58 TYR C C 58 174.728 174.728 175.625 -0.897 19427 5599 1 12 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.065 4.699 19427 5600 1 12 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.883 1.144 19427 5601 1 12 . 1 1 58 58 TYR H H 58 8.319 8.319 7.568 0.751 19427 5602 1 12 . 1 1 59 59 ASP N N 59 122.545 122.545 118.200 4.345 19427 5603 1 12 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.281 0.069 19427 5604 1 12 . 1 1 59 59 ASP C C 59 174.853 174.853 174.530 0.323 19427 5605 1 12 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.469 -0.357 19427 5606 1 12 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.304 0.508 19427 5607 1 12 . 1 1 59 59 ASP H H 59 8.177 8.177 7.832 0.345 19427 5608 1 12 . 1 1 60 60 GLN N N 60 116.007 116.007 117.787 -1.780 19427 5609 1 12 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.630 0.100 19427 5610 1 12 . 1 1 60 60 GLN C C 60 174.853 174.853 174.244 0.609 19427 5611 1 12 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.437 -0.924 19427 5612 1 12 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.537 1.847 19427 5613 1 12 . 1 1 60 60 GLN H H 60 8.424 8.424 8.394 0.030 19427 5614 1 12 . 1 1 61 61 SER N N 61 116.009 116.009 116.827 -0.818 19427 5615 1 12 . 1 1 61 61 SER HA H 61 4.783 4.783 4.556 0.227 19427 5616 1 12 . 1 1 61 61 SER CA C 61 56.443 56.443 57.247 -0.804 19427 5617 1 12 . 1 1 61 61 SER CB C 61 62.811 62.811 62.942 -0.131 19427 5618 1 12 . 1 1 61 61 SER H H 61 8.424 8.424 8.531 -0.107 19427 5619 1 12 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.051 -0.015 19427 5620 1 12 . 1 1 62 62 PRO C C 62 179.161 179.161 178.352 0.809 19427 5621 1 12 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.992 0.505 19427 5622 1 12 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.469 0.311 19427 5623 1 12 . 1 1 63 63 SER N N 63 114.103 114.103 112.670 1.433 19427 5624 1 12 . 1 1 63 63 SER HA H 63 4.838 4.838 4.169 0.669 19427 5625 1 12 . 1 1 63 63 SER C C 63 176.141 176.141 176.763 -0.622 19427 5626 1 12 . 1 1 63 63 SER CB C 63 62.293 62.293 62.358 -0.065 19427 5627 1 12 . 1 1 63 63 SER H H 63 8.596 8.596 8.517 0.079 19427 5628 1 12 . 1 1 64 64 VAL N N 64 125.461 125.461 123.719 1.742 19427 5629 1 12 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.793 -0.232 19427 5630 1 12 . 1 1 64 64 VAL C C 64 178.754 178.754 178.456 0.298 19427 5631 1 12 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.324 1.108 19427 5632 1 12 . 1 1 64 64 VAL CB C 64 32.017 32.017 30.765 1.252 19427 5633 1 12 . 1 1 64 64 VAL H H 64 7.381 7.381 7.420 -0.039 19427 5634 1 12 . 1 1 65 65 LEU N N 65 121.843 121.843 121.996 -0.153 19427 5635 1 12 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.292 -0.393 19427 5636 1 12 . 1 1 65 65 LEU C C 65 178.836 178.836 179.204 -0.368 19427 5637 1 12 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.475 -1.163 19427 5638 1 12 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.750 0.505 19427 5639 1 12 . 1 1 65 65 LEU H H 65 8.437 8.437 8.776 -0.339 19427 5640 1 12 . 1 1 66 66 THR N N 66 115.794 115.794 115.716 0.078 19427 5641 1 12 . 1 1 66 66 THR HA H 66 3.321 3.321 3.849 -0.528 19427 5642 1 12 . 1 1 66 66 THR C C 66 175.591 175.591 176.675 -1.084 19427 5643 1 12 . 1 1 66 66 THR CA C 66 69.056 69.056 67.534 1.522 19427 5644 1 12 . 1 1 66 66 THR CB C 66 67.992 67.992 68.364 -0.372 19427 5645 1 12 . 1 1 66 66 THR H H 66 8.079 8.079 8.184 -0.105 19427 5646 1 12 . 1 1 67 67 GLU N N 67 118.543 118.543 120.967 -2.424 19427 5647 1 12 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.885 -0.044 19427 5648 1 12 . 1 1 67 67 GLU C C 67 179.342 179.342 179.077 0.265 19427 5649 1 12 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.469 -0.244 19427 5650 1 12 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.233 -0.312 19427 5651 1 12 . 1 1 67 67 GLU H H 67 7.594 7.594 7.767 -0.173 19427 5652 1 12 . 1 1 68 68 GLN N N 68 120.882 120.882 119.419 1.463 19427 5653 1 12 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.574 0.126 19427 5654 1 12 . 1 1 68 68 GLN C C 68 177.403 177.403 177.921 -0.518 19427 5655 1 12 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.037 0.357 19427 5656 1 12 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.857 0.517 19427 5657 1 12 . 1 1 68 68 GLN H H 68 7.847 7.847 8.248 -0.401 19427 5658 1 12 . 1 1 69 69 LEU N N 69 118.421 118.421 119.418 -0.997 19427 5659 1 12 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.855 -0.382 19427 5660 1 12 . 1 1 69 69 LEU C C 69 180.177 180.177 179.539 0.638 19427 5661 1 12 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.598 0.815 19427 5662 1 12 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.186 -0.215 19427 5663 1 12 . 1 1 69 69 LEU H H 69 7.986 7.986 7.735 0.251 19427 5664 1 12 . 1 1 70 70 ILE N N 70 121.346 121.346 119.804 1.542 19427 5665 1 12 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.931 0.229 19427 5666 1 12 . 1 1 70 70 ILE C C 70 180.910 180.910 178.479 2.431 19427 5667 1 12 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.534 0.516 19427 5668 1 12 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.906 0.439 19427 5669 1 12 . 1 1 70 70 ILE H H 70 8.262 8.262 8.035 0.227 19427 5670 1 12 . 1 1 71 71 SER N N 71 120.236 120.236 115.617 4.619 19427 5671 1 12 . 1 1 71 71 SER HA H 71 4.273 4.273 4.193 0.080 19427 5672 1 12 . 1 1 71 71 SER C C 71 177.045 177.045 175.832 1.213 19427 5673 1 12 . 1 1 71 71 SER CA C 71 62.544 62.544 61.501 1.043 19427 5674 1 12 . 1 1 71 71 SER CB C 71 62.839 62.839 62.840 -0.001 19427 5675 1 12 . 1 1 71 71 SER H H 71 8.388 8.388 7.965 0.423 19427 5676 1 12 . 1 1 72 72 TRP N N 72 119.364 119.364 118.701 0.663 19427 5677 1 12 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.763 0.163 19427 5678 1 12 . 1 1 72 72 TRP C C 72 176.839 176.839 176.818 0.021 19427 5679 1 12 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.069 -1.305 19427 5680 1 12 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.758 2.506 19427 5681 1 12 . 1 1 72 72 TRP H H 72 8.066 8.066 7.493 0.573 19427 5682 1 12 . 1 1 73 73 GLY N N 73 106.514 106.514 105.817 0.697 19427 5683 1 12 . 1 1 73 73 GLY C C 73 174.697 174.697 174.775 -0.078 19427 5684 1 12 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.992 -0.589 19427 5685 1 12 . 1 1 73 73 GLY H H 73 8.242 8.242 7.578 0.664 19427 5686 1 12 . 1 1 74 74 VAL N N 74 114.793 114.793 110.957 3.836 19427 5687 1 12 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.333 -0.136 19427 5688 1 12 . 1 1 74 74 VAL C C 74 174.015 174.015 174.904 -0.889 19427 5689 1 12 . 1 1 74 74 VAL CA C 74 63.113 63.113 62.166 0.947 19427 5690 1 12 . 1 1 74 74 VAL CB C 74 32.849 32.849 33.171 -0.322 19427 5691 1 12 . 1 1 74 74 VAL H H 74 7.834 7.834 7.594 0.240 19427 5692 1 12 . 1 1 75 75 LEU N N 75 118.357 118.357 122.178 -3.821 19427 5693 1 12 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.148 -0.237 19427 5694 1 12 . 1 1 75 75 LEU C C 75 175.022 175.022 175.183 -0.161 19427 5695 1 12 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.968 -0.335 19427 5696 1 12 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.305 1.853 19427 5697 1 12 . 1 1 75 75 LEU H H 75 6.898 6.898 7.505 -0.607 19427 5698 1 12 . 1 1 76 76 ASP N N 76 122.400 122.400 126.115 -3.715 19427 5699 1 12 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.553 0.050 19427 5700 1 12 . 1 1 76 76 ASP C C 76 176.384 176.384 177.252 -0.868 19427 5701 1 12 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.134 0.249 19427 5702 1 12 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.344 -0.117 19427 5703 1 12 . 1 1 76 76 ASP H H 76 8.412 8.412 7.982 0.430 19427 5704 1 12 . 1 1 77 77 ALA N N 77 123.828 123.828 130.510 -6.682 19427 5705 1 12 . 1 1 77 77 ALA HA H 77 4.054 4.054 3.906 0.148 19427 5706 1 12 . 1 1 77 77 ALA C C 77 179.068 179.068 179.237 -0.169 19427 5707 1 12 . 1 1 77 77 ALA CA C 77 54.731 54.731 55.360 -0.629 19427 5708 1 12 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.720 0.029 19427 5709 1 12 . 1 1 77 77 ALA H H 77 8.601 8.601 8.639 -0.038 19427 5710 1 12 . 1 1 78 78 ASP N N 78 118.882 118.882 118.780 0.102 19427 5711 1 12 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.347 0.166 19427 5712 1 12 . 1 1 78 78 ASP C C 78 174.868 174.868 177.967 -3.099 19427 5713 1 12 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.473 -0.195 19427 5714 1 12 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.621 0.287 19427 5715 1 12 . 1 1 78 78 ASP H H 78 8.791 8.791 8.132 0.659 19427 5716 1 12 . 1 1 79 79 ALA N N 79 121.027 121.027 122.942 -1.915 19427 5717 1 12 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.937 0.064 19427 5718 1 12 . 1 1 79 79 ALA C C 79 178.803 178.803 178.976 -0.173 19427 5719 1 12 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.820 -0.429 19427 5720 1 12 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.478 1.442 19427 5721 1 12 . 1 1 79 79 ALA H H 79 8.287 8.287 7.995 0.292 19427 5722 1 12 . 1 1 80 80 ARG N N 80 115.805 115.805 116.874 -1.069 19427 5723 1 12 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.970 -0.046 19427 5724 1 12 . 1 1 80 80 ARG C C 80 178.254 178.254 178.131 0.123 19427 5725 1 12 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.757 0.472 19427 5726 1 12 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.701 0.556 19427 5727 1 12 . 1 1 80 80 ARG H H 80 7.689 7.689 8.082 -0.393 19427 5728 1 12 . 1 1 81 81 ARG N N 81 117.554 117.554 120.765 -3.211 19427 5729 1 12 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.158 0.048 19427 5730 1 12 . 1 1 81 81 ARG C C 81 177.214 177.214 177.425 -0.211 19427 5731 1 12 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.729 -1.036 19427 5732 1 12 . 1 1 81 81 ARG CB C 81 30.242 30.242 30.056 0.186 19427 5733 1 12 . 1 1 81 81 ARG H H 81 7.782 7.782 8.271 -0.489 19427 5734 1 12 . 1 1 82 82 ALA N N 82 121.590 121.590 121.560 0.030 19427 5735 1 12 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.181 0.098 19427 5736 1 12 . 1 1 82 82 ALA C C 82 177.798 177.798 178.918 -1.120 19427 5737 1 12 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.345 -1.090 19427 5738 1 12 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.242 0.321 19427 5739 1 12 . 1 1 82 82 ALA H H 82 7.875 7.875 7.681 0.194 19427 5740 1 12 . 1 1 83 83 VAL N N 83 114.483 114.483 117.182 -2.699 19427 5741 1 12 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.924 0.217 19427 5742 1 12 . 1 1 83 83 VAL C C 83 175.572 175.572 176.651 -1.079 19427 5743 1 12 . 1 1 83 83 VAL CA C 83 62.041 62.041 63.426 -1.385 19427 5744 1 12 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.462 0.319 19427 5745 1 12 . 1 1 83 83 VAL H H 83 7.503 7.503 7.659 -0.156 19427 5746 1 12 . 1 1 84 84 ALA N N 84 125.870 125.870 121.218 4.652 19427 5747 1 12 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.164 0.157 19427 5748 1 12 . 1 1 84 84 ALA C C 84 177.696 177.696 176.217 1.479 19427 5749 1 12 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.634 0.137 19427 5750 1 12 . 1 1 84 84 ALA CB C 84 19.512 19.512 18.239 1.273 19427 5751 1 12 . 1 1 84 84 ALA H H 84 7.876 7.876 7.730 0.146 19427 5752 1 12 . 1 1 85 85 SER N N 85 114.965 114.965 113.640 1.325 19427 5753 1 12 . 1 1 85 85 SER HA H 85 4.396 4.396 4.580 -0.184 19427 5754 1 12 . 1 1 85 85 SER CA C 85 58.393 58.393 58.544 -0.151 19427 5755 1 12 . 1 1 85 85 SER CB C 85 63.915 63.915 64.140 -0.225 19427 5756 1 12 . 1 1 85 85 SER H H 85 8.521 8.521 8.517 0.004 19427 5757 1 12 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.766 -0.100 19427 5758 1 12 . 1 1 86 86 HIS C C 86 174.868 174.868 173.955 0.913 19427 5759 1 12 . 1 1 86 86 HIS CA C 86 56.321 56.321 55.683 0.638 19427 5760 1 12 . 1 1 86 86 HIS CB C 86 30.312 30.312 31.229 -0.917 19427 5761 1 12 . 1 1 87 87 ASP N N 87 121.205 121.205 124.234 -3.029 19427 5762 1 12 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.826 -0.223 19427 5763 1 12 . 1 1 87 87 ASP C C 87 175.917 175.917 174.982 0.935 19427 5764 1 12 . 1 1 87 87 ASP CA C 87 54.577 54.577 53.742 0.835 19427 5765 1 12 . 1 1 87 87 ASP CB C 87 41.256 41.256 43.277 -2.021 19427 5766 1 12 . 1 1 87 87 ASP H H 87 8.326 8.326 7.978 0.348 19427 5767 1 12 . 1 1 88 88 GLU N N 88 121.167 121.167 119.878 1.289 19427 5768 1 12 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.278 0.039 19427 5769 1 12 . 1 1 88 88 GLU C C 88 175.455 175.455 175.553 -0.098 19427 5770 1 12 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.813 -0.441 19427 5771 1 12 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.487 -0.114 19427 5772 1 12 . 1 1 88 88 GLU H H 88 8.352 8.352 8.796 -0.444 19427 5773 1 13 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.408 -0.007 19427 5774 1 13 . 1 1 5 5 PRO C C 5 176.334 176.334 175.505 0.829 19427 5775 1 13 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.011 -0.229 19427 5776 1 13 . 1 1 5 5 PRO CB C 5 32.354 32.354 30.311 2.043 19427 5777 1 13 . 1 1 6 6 LYS N N 6 121.980 121.980 121.499 0.481 19427 5778 1 13 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.490 -0.116 19427 5779 1 13 . 1 1 6 6 LYS C C 6 175.715 175.715 176.143 -0.428 19427 5780 1 13 . 1 1 6 6 LYS CA C 6 56.172 56.172 54.529 1.643 19427 5781 1 13 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.493 -0.223 19427 5782 1 13 . 1 1 6 6 LYS H H 6 8.546 8.546 8.289 0.257 19427 5783 1 13 . 1 1 7 7 LEU N N 7 125.018 125.018 127.748 -2.730 19427 5784 1 13 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.600 -0.077 19427 5785 1 13 . 1 1 7 7 LEU C C 7 174.994 174.994 175.219 -0.225 19427 5786 1 13 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.962 0.088 19427 5787 1 13 . 1 1 7 7 LEU CB C 7 43.171 43.171 43.205 -0.034 19427 5788 1 13 . 1 1 7 7 LEU H H 7 8.620 8.620 8.376 0.244 19427 5789 1 13 . 1 1 8 8 VAL N N 8 121.522 121.522 125.174 -3.652 19427 5790 1 13 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.734 -0.187 19427 5791 1 13 . 1 1 8 8 VAL C C 8 175.042 175.042 174.233 0.809 19427 5792 1 13 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.269 0.937 19427 5793 1 13 . 1 1 8 8 VAL CB C 8 34.596 34.596 34.014 0.582 19427 5794 1 13 . 1 1 8 8 VAL H H 8 8.084 8.084 8.576 -0.492 19427 5795 1 13 . 1 1 9 9 LEU N N 9 126.312 126.312 130.322 -4.010 19427 5796 1 13 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.200 -0.260 19427 5797 1 13 . 1 1 9 9 LEU C C 9 175.831 175.831 175.816 0.015 19427 5798 1 13 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.011 0.535 19427 5799 1 13 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.468 0.765 19427 5800 1 13 . 1 1 9 9 LEU H H 9 9.137 9.137 9.213 -0.076 19427 5801 1 13 . 1 1 10 10 ASP N N 10 123.236 123.236 125.915 -2.679 19427 5802 1 13 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.776 0.072 19427 5803 1 13 . 1 1 10 10 ASP C C 10 176.685 176.685 177.131 -0.446 19427 5804 1 13 . 1 1 10 10 ASP CA C 10 53.593 53.593 55.440 -1.847 19427 5805 1 13 . 1 1 10 10 ASP CB C 10 40.820 40.820 40.957 -0.137 19427 5806 1 13 . 1 1 10 10 ASP H H 10 9.002 9.002 8.869 0.133 19427 5807 1 13 . 1 1 11 11 LEU N N 11 124.059 124.059 125.707 -1.648 19427 5808 1 13 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.003 0.063 19427 5809 1 13 . 1 1 11 11 LEU C C 11 180.169 180.169 178.793 1.376 19427 5810 1 13 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.785 -0.772 19427 5811 1 13 . 1 1 11 11 LEU CB C 11 40.850 40.850 41.820 -0.970 19427 5812 1 13 . 1 1 11 11 LEU H H 11 8.273 8.273 8.585 -0.312 19427 5813 1 13 . 1 1 12 12 GLU N N 12 121.967 121.967 118.258 3.709 19427 5814 1 13 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.051 0.123 19427 5815 1 13 . 1 1 12 12 GLU C C 12 179.719 179.719 178.238 1.481 19427 5816 1 13 . 1 1 12 12 GLU CA C 12 59.628 59.628 58.985 0.643 19427 5817 1 13 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.185 0.375 19427 5818 1 13 . 1 1 12 12 GLU H H 12 8.273 8.273 7.638 0.635 19427 5819 1 13 . 1 1 13 13 ARG N N 13 119.595 119.595 118.628 0.967 19427 5820 1 13 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.214 -0.042 19427 5821 1 13 . 1 1 13 13 ARG C C 13 179.909 179.909 179.126 0.783 19427 5822 1 13 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.622 -0.311 19427 5823 1 13 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.967 -0.412 19427 5824 1 13 . 1 1 13 13 ARG H H 13 8.081 8.081 8.086 -0.005 19427 5825 1 13 . 1 1 14 14 LEU N N 14 120.325 120.325 121.170 -0.845 19427 5826 1 13 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.134 -0.187 19427 5827 1 13 . 1 1 14 14 LEU C C 14 177.166 177.166 178.275 -1.109 19427 5828 1 13 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.468 0.106 19427 5829 1 13 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.831 -0.033 19427 5830 1 13 . 1 1 14 14 LEU H H 14 8.205 8.205 8.337 -0.132 19427 5831 1 13 . 1 1 15 15 ALA N N 15 117.835 117.835 118.366 -0.531 19427 5832 1 13 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.211 -0.086 19427 5833 1 13 . 1 1 15 15 ALA C C 15 178.500 178.500 178.043 0.457 19427 5834 1 13 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.639 0.681 19427 5835 1 13 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.609 0.103 19427 5836 1 13 . 1 1 15 15 ALA H H 15 7.265 7.265 7.494 -0.229 19427 5837 1 13 . 1 1 16 16 THR N N 16 105.967 105.967 112.692 -6.725 19427 5838 1 13 . 1 1 16 16 THR HA H 16 4.378 4.378 4.261 0.117 19427 5839 1 13 . 1 1 16 16 THR C C 16 174.639 174.639 174.450 0.189 19427 5840 1 13 . 1 1 16 16 THR CA C 16 61.642 61.642 62.778 -1.136 19427 5841 1 13 . 1 1 16 16 THR CB C 16 69.957 69.957 69.427 0.530 19427 5842 1 13 . 1 1 16 16 THR H H 16 7.530 7.530 7.478 0.052 19427 5843 1 13 . 1 1 17 17 VAL N N 17 126.962 126.962 123.801 3.161 19427 5844 1 13 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.074 -0.089 19427 5845 1 13 . 1 1 17 17 VAL CA C 17 60.535 60.535 58.744 1.791 19427 5846 1 13 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.257 1.131 19427 5847 1 13 . 1 1 17 17 VAL H H 17 7.208 7.208 7.290 -0.082 19427 5848 1 13 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.231 0.037 19427 5849 1 13 . 1 1 18 18 PRO C C 18 178.094 178.094 177.227 0.867 19427 5850 1 13 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.170 0.678 19427 5851 1 13 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.113 0.598 19427 5852 1 13 . 1 1 19 19 ALA N N 19 128.383 128.383 128.203 0.180 19427 5853 1 13 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.978 -0.034 19427 5854 1 13 . 1 1 19 19 ALA C C 19 180.008 180.008 179.960 0.048 19427 5855 1 13 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.656 0.661 19427 5856 1 13 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.672 0.242 19427 5857 1 13 . 1 1 19 19 ALA H H 19 8.872 8.872 8.615 0.257 19427 5858 1 13 . 1 1 20 20 GLU N N 20 118.522 118.522 118.599 -0.077 19427 5859 1 13 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.030 0.084 19427 5860 1 13 . 1 1 20 20 GLU C C 20 177.573 177.573 177.943 -0.370 19427 5861 1 13 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.978 0.658 19427 5862 1 13 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.378 -0.540 19427 5863 1 13 . 1 1 20 20 GLU H H 20 9.459 9.459 8.864 0.595 19427 5864 1 13 . 1 1 21 21 LYS N N 21 115.147 115.147 117.063 -1.916 19427 5865 1 13 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.268 0.384 19427 5866 1 13 . 1 1 21 21 LYS C C 21 177.045 177.045 177.931 -0.886 19427 5867 1 13 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.579 -0.592 19427 5868 1 13 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.176 0.776 19427 5869 1 13 . 1 1 21 21 LYS H H 21 7.441 7.441 7.647 -0.206 19427 5870 1 13 . 1 1 22 22 ALA N N 22 119.898 119.898 121.536 -1.638 19427 5871 1 13 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.151 -0.007 19427 5872 1 13 . 1 1 22 22 ALA C C 22 177.520 177.520 179.409 -1.889 19427 5873 1 13 . 1 1 22 22 ALA CA C 22 53.181 53.181 54.623 -1.442 19427 5874 1 13 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.307 1.924 19427 5875 1 13 . 1 1 22 22 ALA H H 22 8.096 8.096 8.311 -0.215 19427 5876 1 13 . 1 1 23 23 GLY N N 23 107.148 107.148 107.569 -0.421 19427 5877 1 13 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.941 1.071 19427 5878 1 13 . 1 1 23 23 GLY H H 23 8.484 8.484 8.286 0.198 19427 5879 1 13 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.375 -0.201 19427 5880 1 13 . 1 1 24 24 PRO C C 24 179.318 179.318 178.126 1.192 19427 5881 1 13 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.528 0.426 19427 5882 1 13 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.546 -0.175 19427 5883 1 13 . 1 1 25 25 LEU N N 25 118.416 118.416 118.873 -0.457 19427 5884 1 13 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.633 -0.277 19427 5885 1 13 . 1 1 25 25 LEU C C 25 177.871 177.871 178.483 -0.612 19427 5886 1 13 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.778 1.157 19427 5887 1 13 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.947 0.403 19427 5888 1 13 . 1 1 25 25 LEU H H 25 7.394 7.394 7.243 0.151 19427 5889 1 13 . 1 1 26 26 GLN N N 26 119.819 119.819 119.629 0.190 19427 5890 1 13 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.049 -0.155 19427 5891 1 13 . 1 1 26 26 GLN C C 26 179.865 179.865 178.892 0.973 19427 5892 1 13 . 1 1 26 26 GLN CA C 26 59.771 59.771 58.915 0.856 19427 5893 1 13 . 1 1 26 26 GLN CB C 26 27.554 27.554 27.952 -0.398 19427 5894 1 13 . 1 1 26 26 GLN H H 26 8.885 8.885 8.623 0.262 19427 5895 1 13 . 1 1 27 27 ARG N N 27 119.761 119.761 119.489 0.272 19427 5896 1 13 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.083 0.058 19427 5897 1 13 . 1 1 27 27 ARG C C 27 178.950 178.950 178.437 0.513 19427 5898 1 13 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.879 0.757 19427 5899 1 13 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.812 0.604 19427 5900 1 13 . 1 1 27 27 ARG H H 27 8.694 8.694 8.551 0.143 19427 5901 1 13 . 1 1 28 28 TYR N N 28 122.540 122.540 120.966 1.574 19427 5902 1 13 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.218 -0.047 19427 5903 1 13 . 1 1 28 28 TYR C C 28 177.843 177.843 177.187 0.656 19427 5904 1 13 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.650 0.628 19427 5905 1 13 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.394 1.319 19427 5906 1 13 . 1 1 28 28 TYR H H 28 8.211 8.211 7.616 0.595 19427 5907 1 13 . 1 1 29 29 ALA N N 29 120.477 120.477 121.681 -1.204 19427 5908 1 13 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.875 -0.113 19427 5909 1 13 . 1 1 29 29 ALA C C 29 178.739 178.739 179.227 -0.488 19427 5910 1 13 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.260 -0.075 19427 5911 1 13 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.917 0.012 19427 5912 1 13 . 1 1 29 29 ALA H H 29 9.065 9.065 8.803 0.262 19427 5913 1 13 . 1 1 30 30 ALA N N 30 118.596 118.596 120.882 -2.286 19427 5914 1 13 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.290 -0.003 19427 5915 1 13 . 1 1 30 30 ALA C C 30 180.895 180.895 179.879 1.016 19427 5916 1 13 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.860 0.216 19427 5917 1 13 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.330 -0.244 19427 5918 1 13 . 1 1 30 30 ALA H H 30 7.741 7.741 8.572 -0.831 19427 5919 1 13 . 1 1 31 31 THR N N 31 116.024 116.024 117.334 -1.310 19427 5920 1 13 . 1 1 31 31 THR HA H 31 3.995 3.995 4.102 -0.107 19427 5921 1 13 . 1 1 31 31 THR C C 31 176.687 176.687 176.514 0.173 19427 5922 1 13 . 1 1 31 31 THR CA C 31 66.452 66.452 66.360 0.092 19427 5923 1 13 . 1 1 31 31 THR CB C 31 68.867 68.867 68.876 -0.009 19427 5924 1 13 . 1 1 31 31 THR H H 31 7.914 7.914 7.554 0.360 19427 5925 1 13 . 1 1 32 32 ILE N N 32 121.094 121.094 121.896 -0.802 19427 5926 1 13 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.517 0.298 19427 5927 1 13 . 1 1 32 32 ILE C C 32 178.583 178.583 177.919 0.664 19427 5928 1 13 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.523 0.630 19427 5929 1 13 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.158 0.782 19427 5930 1 13 . 1 1 32 32 ILE H H 32 7.846 7.846 8.251 -0.405 19427 5931 1 13 . 1 1 33 33 GLN N N 33 119.832 119.832 119.237 0.595 19427 5932 1 13 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.078 -0.239 19427 5933 1 13 . 1 1 33 33 GLN C C 33 178.264 178.264 179.136 -0.872 19427 5934 1 13 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.097 0.761 19427 5935 1 13 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.603 0.762 19427 5936 1 13 . 1 1 33 33 GLN H H 33 8.374 8.374 8.601 -0.227 19427 5937 1 13 . 1 1 34 34 SER N N 34 112.726 112.726 114.597 -1.871 19427 5938 1 13 . 1 1 34 34 SER HA H 34 4.333 4.333 4.192 0.141 19427 5939 1 13 . 1 1 34 34 SER C C 34 176.817 176.817 177.331 -0.514 19427 5940 1 13 . 1 1 34 34 SER CA C 34 60.915 60.915 61.599 -0.684 19427 5941 1 13 . 1 1 34 34 SER CB C 34 63.235 63.235 62.977 0.258 19427 5942 1 13 . 1 1 34 34 SER H H 34 7.816 7.816 8.047 -0.231 19427 5943 1 13 . 1 1 35 35 GLN N N 35 120.724 120.724 120.858 -0.134 19427 5944 1 13 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.177 0.017 19427 5945 1 13 . 1 1 35 35 GLN C C 35 177.930 177.930 178.212 -0.282 19427 5946 1 13 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.687 0.423 19427 5947 1 13 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.451 0.737 19427 5948 1 13 . 1 1 35 35 GLN H H 35 8.034 8.034 8.214 -0.180 19427 5949 1 13 . 1 1 36 36 ARG N N 36 116.267 116.267 117.089 -0.822 19427 5950 1 13 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.356 0.042 19427 5951 1 13 . 1 1 36 36 ARG C C 36 177.013 177.013 177.320 -0.307 19427 5952 1 13 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.305 0.119 19427 5953 1 13 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.933 0.485 19427 5954 1 13 . 1 1 36 36 ARG H H 36 8.091 8.091 8.233 -0.142 19427 5955 1 13 . 1 1 37 37 GLY N N 37 109.299 109.299 108.572 0.727 19427 5956 1 13 . 1 1 37 37 GLY C C 37 173.661 173.661 173.781 -0.120 19427 5957 1 13 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.137 1.133 19427 5958 1 13 . 1 1 37 37 GLY H H 37 7.972 7.972 7.964 0.008 19427 5959 1 13 . 1 1 38 38 ASP N N 38 119.246 119.246 120.029 -0.783 19427 5960 1 13 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.899 -0.184 19427 5961 1 13 . 1 1 38 38 ASP C C 38 175.405 175.405 174.112 1.293 19427 5962 1 13 . 1 1 38 38 ASP CA C 38 53.171 53.171 52.672 0.499 19427 5963 1 13 . 1 1 38 38 ASP CB C 38 41.640 41.640 43.327 -1.687 19427 5964 1 13 . 1 1 38 38 ASP H H 38 7.838 7.838 8.019 -0.181 19427 5965 1 13 . 1 1 39 39 TYR N N 39 121.210 121.210 126.022 -4.812 19427 5966 1 13 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.626 -0.099 19427 5967 1 13 . 1 1 39 39 TYR C C 39 176.937 176.937 174.054 2.883 19427 5968 1 13 . 1 1 39 39 TYR CA C 39 58.128 58.128 58.402 -0.274 19427 5969 1 13 . 1 1 39 39 TYR CB C 39 38.588 38.588 39.289 -0.701 19427 5970 1 13 . 1 1 39 39 TYR H H 39 8.202 8.202 8.678 -0.476 19427 5971 1 13 . 1 1 40 40 ASN N N 40 120.622 120.622 126.544 -5.922 19427 5972 1 13 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.864 -0.245 19427 5973 1 13 . 1 1 40 40 ASN C C 40 175.853 175.853 174.206 1.647 19427 5974 1 13 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.787 1.596 19427 5975 1 13 . 1 1 40 40 ASN CB C 40 39.506 39.506 40.010 -0.504 19427 5976 1 13 . 1 1 40 40 ASN H H 40 8.393 8.393 8.022 0.371 19427 5977 1 13 . 1 1 41 41 GLY N N 41 107.971 107.971 110.608 -2.637 19427 5978 1 13 . 1 1 41 41 GLY C C 41 173.926 173.926 174.115 -0.189 19427 5979 1 13 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.792 1.138 19427 5980 1 13 . 1 1 41 41 GLY H H 41 8.103 8.103 8.679 -0.576 19427 5981 1 13 . 1 1 42 42 LYS N N 42 119.472 119.472 119.718 -0.246 19427 5982 1 13 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.638 -0.149 19427 5983 1 13 . 1 1 42 42 LYS C C 42 176.201 176.201 175.452 0.749 19427 5984 1 13 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.069 0.640 19427 5985 1 13 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.193 0.152 19427 5986 1 13 . 1 1 42 42 LYS H H 42 8.652 8.652 8.679 -0.027 19427 5987 1 13 . 1 1 43 43 VAL N N 43 112.852 112.852 113.482 -0.630 19427 5988 1 13 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.226 0.104 19427 5989 1 13 . 1 1 43 43 VAL C C 43 174.906 174.906 174.699 0.207 19427 5990 1 13 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.299 -0.035 19427 5991 1 13 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.463 0.490 19427 5992 1 13 . 1 1 43 43 VAL H H 43 7.840 7.840 7.838 0.002 19427 5993 1 13 . 1 1 44 44 LEU N N 44 123.642 123.642 123.268 0.374 19427 5994 1 13 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.755 0.034 19427 5995 1 13 . 1 1 44 44 LEU C C 44 175.260 175.260 175.326 -0.066 19427 5996 1 13 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.090 -0.214 19427 5997 1 13 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.659 1.839 19427 5998 1 13 . 1 1 44 44 LEU H H 44 8.610 8.610 9.023 -0.413 19427 5999 1 13 . 1 1 45 45 SER N N 45 124.267 124.267 122.917 1.350 19427 6000 1 13 . 1 1 45 45 SER HA H 45 5.052 5.052 5.266 -0.214 19427 6001 1 13 . 1 1 45 45 SER C C 45 174.246 174.246 174.459 -0.213 19427 6002 1 13 . 1 1 45 45 SER CA C 45 58.852 58.852 57.662 1.190 19427 6003 1 13 . 1 1 45 45 SER CB C 45 63.509 63.509 63.003 0.506 19427 6004 1 13 . 1 1 45 45 SER H H 45 9.111 9.111 8.575 0.536 19427 6005 1 13 . 1 1 46 46 ILE N N 46 118.924 118.924 120.876 -1.952 19427 6006 1 13 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.693 0.087 19427 6007 1 13 . 1 1 46 46 ILE C C 46 174.199 174.199 174.422 -0.223 19427 6008 1 13 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.062 0.540 19427 6009 1 13 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.352 1.243 19427 6010 1 13 . 1 1 46 46 ILE H H 46 8.542 8.542 8.941 -0.399 19427 6011 1 13 . 1 1 47 47 ARG N N 47 119.572 119.572 118.454 1.118 19427 6012 1 13 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.798 0.067 19427 6013 1 13 . 1 1 47 47 ARG C C 47 178.511 178.511 178.239 0.272 19427 6014 1 13 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.639 -0.131 19427 6015 1 13 . 1 1 47 47 ARG CB C 47 33.318 33.318 32.311 1.007 19427 6016 1 13 . 1 1 47 47 ARG H H 47 9.488 9.488 9.003 0.485 19427 6017 1 13 . 1 1 48 48 GLN N N 48 122.809 122.809 119.968 2.841 19427 6018 1 13 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.982 -0.164 19427 6019 1 13 . 1 1 48 48 GLN C C 48 178.972 178.972 177.008 1.964 19427 6020 1 13 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.414 1.113 19427 6021 1 13 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.341 -0.057 19427 6022 1 13 . 1 1 48 48 GLN H H 48 9.350 9.350 9.012 0.338 19427 6023 1 13 . 1 1 49 49 ASP N N 49 115.682 115.682 118.847 -3.165 19427 6024 1 13 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.431 -0.071 19427 6025 1 13 . 1 1 49 49 ASP C C 49 178.758 178.758 177.652 1.106 19427 6026 1 13 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.999 0.358 19427 6027 1 13 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.645 -0.162 19427 6028 1 13 . 1 1 49 49 ASP H H 49 8.855 8.855 8.450 0.405 19427 6029 1 13 . 1 1 50 50 ASP N N 50 117.926 117.926 121.157 -3.231 19427 6030 1 13 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.598 0.014 19427 6031 1 13 . 1 1 50 50 ASP C C 50 177.865 177.865 178.584 -0.719 19427 6032 1 13 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.285 0.790 19427 6033 1 13 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.168 0.471 19427 6034 1 13 . 1 1 50 50 ASP H H 50 7.519 7.519 7.696 -0.177 19427 6035 1 13 . 1 1 51 51 LEU N N 51 118.893 118.893 120.795 -1.902 19427 6036 1 13 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.980 -0.068 19427 6037 1 13 . 1 1 51 51 LEU C C 51 178.254 178.254 178.144 0.110 19427 6038 1 13 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.606 0.523 19427 6039 1 13 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.014 -0.617 19427 6040 1 13 . 1 1 51 51 LEU H H 51 7.444 7.444 7.718 -0.274 19427 6041 1 13 . 1 1 52 52 ARG N N 52 117.366 117.366 118.614 -1.248 19427 6042 1 13 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.877 0.033 19427 6043 1 13 . 1 1 52 52 ARG C C 52 178.886 178.886 178.370 0.516 19427 6044 1 13 . 1 1 52 52 ARG CA C 52 60.285 60.285 60.050 0.235 19427 6045 1 13 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.085 -0.267 19427 6046 1 13 . 1 1 52 52 ARG H H 52 7.757 7.757 7.706 0.051 19427 6047 1 13 . 1 1 53 53 THR N N 53 118.266 118.266 116.925 1.341 19427 6048 1 13 . 1 1 53 53 THR HA H 53 3.924 3.924 3.997 -0.073 19427 6049 1 13 . 1 1 53 53 THR C C 53 176.626 176.626 176.320 0.306 19427 6050 1 13 . 1 1 53 53 THR CA C 53 67.001 67.001 67.130 -0.130 19427 6051 1 13 . 1 1 53 53 THR CB C 53 68.759 68.759 68.404 0.355 19427 6052 1 13 . 1 1 53 53 THR H H 53 7.973 7.973 8.036 -0.063 19427 6053 1 13 . 1 1 54 54 LEU N N 54 122.030 122.030 121.324 0.706 19427 6054 1 13 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.221 0.588 19427 6055 1 13 . 1 1 54 54 LEU C C 54 177.755 177.755 178.219 -0.464 19427 6056 1 13 . 1 1 54 54 LEU CA C 54 57.823 57.823 58.014 -0.191 19427 6057 1 13 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.820 2.269 19427 6058 1 13 . 1 1 54 54 LEU H H 54 8.355 8.355 7.909 0.446 19427 6059 1 13 . 1 1 55 55 ALA N N 55 122.634 122.634 120.199 2.435 19427 6060 1 13 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.937 -0.045 19427 6061 1 13 . 1 1 55 55 ALA C C 55 179.192 179.192 179.167 0.025 19427 6062 1 13 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.261 1.244 19427 6063 1 13 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.950 -0.786 19427 6064 1 13 . 1 1 55 55 ALA H H 55 8.195 8.195 7.721 0.474 19427 6065 1 13 . 1 1 56 56 VAL N N 56 118.079 118.079 117.649 0.430 19427 6066 1 13 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.736 0.125 19427 6067 1 13 . 1 1 56 56 VAL C C 56 180.389 180.389 177.812 2.577 19427 6068 1 13 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.624 0.963 19427 6069 1 13 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.451 0.242 19427 6070 1 13 . 1 1 56 56 VAL H H 56 7.402 7.402 7.093 0.309 19427 6071 1 13 . 1 1 57 57 ILE N N 57 122.536 122.536 119.095 3.441 19427 6072 1 13 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.604 0.000 19427 6073 1 13 . 1 1 57 57 ILE C C 57 177.942 177.942 177.843 0.099 19427 6074 1 13 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.667 1.176 19427 6075 1 13 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.797 0.589 19427 6076 1 13 . 1 1 57 57 ILE H H 57 7.893 7.893 7.521 0.372 19427 6077 1 13 . 1 1 58 58 TYR N N 58 117.060 117.060 116.394 0.666 19427 6078 1 13 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.489 -0.358 19427 6079 1 13 . 1 1 58 58 TYR C C 58 174.728 174.728 175.672 -0.944 19427 6080 1 13 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.792 3.972 19427 6081 1 13 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.979 1.048 19427 6082 1 13 . 1 1 58 58 TYR H H 58 8.319 8.319 7.610 0.709 19427 6083 1 13 . 1 1 59 59 ASP N N 59 122.545 122.545 118.602 3.943 19427 6084 1 13 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.347 0.003 19427 6085 1 13 . 1 1 59 59 ASP C C 59 174.853 174.853 174.831 0.022 19427 6086 1 13 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.253 -0.140 19427 6087 1 13 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.525 0.287 19427 6088 1 13 . 1 1 59 59 ASP H H 59 8.177 8.177 7.793 0.384 19427 6089 1 13 . 1 1 60 60 GLN N N 60 116.007 116.007 118.784 -2.777 19427 6090 1 13 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.644 0.086 19427 6091 1 13 . 1 1 60 60 GLN C C 60 174.853 174.853 174.221 0.632 19427 6092 1 13 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.952 -0.439 19427 6093 1 13 . 1 1 60 60 GLN CB C 60 34.384 34.384 33.229 1.155 19427 6094 1 13 . 1 1 60 60 GLN H H 60 8.424 8.424 8.020 0.404 19427 6095 1 13 . 1 1 61 61 SER N N 61 116.009 116.009 119.012 -3.003 19427 6096 1 13 . 1 1 61 61 SER HA H 61 4.783 4.783 4.607 0.176 19427 6097 1 13 . 1 1 61 61 SER CA C 61 56.443 56.443 56.722 -0.279 19427 6098 1 13 . 1 1 61 61 SER CB C 61 62.811 62.811 63.458 -0.647 19427 6099 1 13 . 1 1 61 61 SER H H 61 8.424 8.424 8.405 0.019 19427 6100 1 13 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.044 -0.008 19427 6101 1 13 . 1 1 62 62 PRO C C 62 179.161 179.161 178.628 0.533 19427 6102 1 13 . 1 1 62 62 PRO CA C 62 66.496 66.496 66.173 0.323 19427 6103 1 13 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.765 0.015 19427 6104 1 13 . 1 1 63 63 SER N N 63 114.103 114.103 112.968 1.135 19427 6105 1 13 . 1 1 63 63 SER HA H 63 4.838 4.838 4.133 0.705 19427 6106 1 13 . 1 1 63 63 SER C C 63 176.141 176.141 176.816 -0.675 19427 6107 1 13 . 1 1 63 63 SER CB C 63 62.293 62.293 62.540 -0.247 19427 6108 1 13 . 1 1 63 63 SER H H 63 8.596 8.596 8.395 0.201 19427 6109 1 13 . 1 1 64 64 VAL N N 64 125.461 125.461 119.216 6.245 19427 6110 1 13 . 1 1 64 64 VAL HA H 64 3.561 3.561 4.013 -0.452 19427 6111 1 13 . 1 1 64 64 VAL C C 64 178.754 178.754 177.823 0.931 19427 6112 1 13 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.645 1.787 19427 6113 1 13 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.400 0.617 19427 6114 1 13 . 1 1 64 64 VAL H H 64 7.381 7.381 7.422 -0.041 19427 6115 1 13 . 1 1 65 65 LEU N N 65 121.843 121.843 122.565 -0.722 19427 6116 1 13 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.319 -0.420 19427 6117 1 13 . 1 1 65 65 LEU C C 65 178.836 178.836 178.842 -0.006 19427 6118 1 13 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.025 -0.713 19427 6119 1 13 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.907 0.347 19427 6120 1 13 . 1 1 65 65 LEU H H 65 8.437 8.437 8.659 -0.222 19427 6121 1 13 . 1 1 66 66 THR N N 66 115.794 115.794 115.715 0.079 19427 6122 1 13 . 1 1 66 66 THR HA H 66 3.321 3.321 3.854 -0.533 19427 6123 1 13 . 1 1 66 66 THR C C 66 175.591 175.591 176.516 -0.925 19427 6124 1 13 . 1 1 66 66 THR CA C 66 69.056 69.056 67.329 1.727 19427 6125 1 13 . 1 1 66 66 THR CB C 66 67.992 67.992 68.376 -0.384 19427 6126 1 13 . 1 1 66 66 THR H H 66 8.079 8.079 8.101 -0.022 19427 6127 1 13 . 1 1 67 67 GLU N N 67 118.543 118.543 121.382 -2.839 19427 6128 1 13 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.763 0.078 19427 6129 1 13 . 1 1 67 67 GLU C C 67 179.342 179.342 178.964 0.378 19427 6130 1 13 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.806 -0.581 19427 6131 1 13 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.127 -0.206 19427 6132 1 13 . 1 1 67 67 GLU H H 67 7.594 7.594 8.234 -0.640 19427 6133 1 13 . 1 1 68 68 GLN N N 68 120.882 120.882 118.921 1.961 19427 6134 1 13 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.603 0.097 19427 6135 1 13 . 1 1 68 68 GLN C C 68 177.403 177.403 177.843 -0.440 19427 6136 1 13 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.233 0.161 19427 6137 1 13 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.879 0.495 19427 6138 1 13 . 1 1 68 68 GLN H H 68 7.847 7.847 7.999 -0.152 19427 6139 1 13 . 1 1 69 69 LEU N N 69 118.421 118.421 119.123 -0.702 19427 6140 1 13 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.667 -0.194 19427 6141 1 13 . 1 1 69 69 LEU C C 69 180.177 180.177 179.598 0.579 19427 6142 1 13 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.321 1.093 19427 6143 1 13 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.918 0.053 19427 6144 1 13 . 1 1 69 69 LEU H H 69 7.986 7.986 7.244 0.742 19427 6145 1 13 . 1 1 70 70 ILE N N 70 121.346 121.346 120.410 0.936 19427 6146 1 13 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.935 0.225 19427 6147 1 13 . 1 1 70 70 ILE C C 70 180.910 180.910 178.445 2.465 19427 6148 1 13 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.804 0.246 19427 6149 1 13 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.943 0.402 19427 6150 1 13 . 1 1 70 70 ILE H H 70 8.262 8.262 8.317 -0.055 19427 6151 1 13 . 1 1 71 71 SER N N 71 120.236 120.236 115.709 4.527 19427 6152 1 13 . 1 1 71 71 SER HA H 71 4.273 4.273 4.240 0.033 19427 6153 1 13 . 1 1 71 71 SER C C 71 177.045 177.045 176.168 0.877 19427 6154 1 13 . 1 1 71 71 SER CA C 71 62.544 62.544 61.685 0.859 19427 6155 1 13 . 1 1 71 71 SER CB C 71 62.839 62.839 62.962 -0.123 19427 6156 1 13 . 1 1 71 71 SER H H 71 8.388 8.388 8.163 0.225 19427 6157 1 13 . 1 1 72 72 TRP N N 72 119.364 119.364 118.989 0.375 19427 6158 1 13 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.647 0.279 19427 6159 1 13 . 1 1 72 72 TRP C C 72 176.839 176.839 177.060 -0.221 19427 6160 1 13 . 1 1 72 72 TRP CA C 72 55.764 55.764 56.001 -0.237 19427 6161 1 13 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.233 2.031 19427 6162 1 13 . 1 1 72 72 TRP H H 72 8.066 8.066 8.132 -0.066 19427 6163 1 13 . 1 1 73 73 GLY N N 73 106.514 106.514 105.592 0.922 19427 6164 1 13 . 1 1 73 73 GLY C C 73 174.697 174.697 175.057 -0.360 19427 6165 1 13 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.180 -0.777 19427 6166 1 13 . 1 1 73 73 GLY H H 73 8.242 8.242 7.597 0.645 19427 6167 1 13 . 1 1 74 74 VAL N N 74 114.793 114.793 117.833 -3.040 19427 6168 1 13 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.068 0.129 19427 6169 1 13 . 1 1 74 74 VAL C C 74 174.015 174.015 175.580 -1.565 19427 6170 1 13 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.894 -1.781 19427 6171 1 13 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.629 0.220 19427 6172 1 13 . 1 1 74 74 VAL H H 74 7.834 7.834 7.889 -0.055 19427 6173 1 13 . 1 1 75 75 LEU N N 75 118.357 118.357 118.627 -0.270 19427 6174 1 13 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.204 -0.293 19427 6175 1 13 . 1 1 75 75 LEU C C 75 175.022 175.022 175.214 -0.192 19427 6176 1 13 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.703 -0.071 19427 6177 1 13 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.521 1.637 19427 6178 1 13 . 1 1 75 75 LEU H H 75 6.898 6.898 7.724 -0.826 19427 6179 1 13 . 1 1 76 76 ASP N N 76 122.400 122.400 122.475 -0.075 19427 6180 1 13 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.862 -0.259 19427 6181 1 13 . 1 1 76 76 ASP C C 76 176.384 176.384 177.108 -0.724 19427 6182 1 13 . 1 1 76 76 ASP CA C 76 54.383 54.383 52.583 1.800 19427 6183 1 13 . 1 1 76 76 ASP CB C 76 43.227 43.227 44.083 -0.856 19427 6184 1 13 . 1 1 76 76 ASP H H 76 8.412 8.412 8.754 -0.342 19427 6185 1 13 . 1 1 77 77 ALA N N 77 123.828 123.828 123.828 0.000 19427 6186 1 13 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.037 0.017 19427 6187 1 13 . 1 1 77 77 ALA C C 77 179.068 179.068 178.878 0.190 19427 6188 1 13 . 1 1 77 77 ALA CA C 77 54.731 54.731 55.032 -0.301 19427 6189 1 13 . 1 1 77 77 ALA CB C 77 18.749 18.749 19.023 -0.274 19427 6190 1 13 . 1 1 77 77 ALA H H 77 8.601 8.601 8.678 -0.077 19427 6191 1 13 . 1 1 78 78 ASP N N 78 118.882 118.882 118.509 0.373 19427 6192 1 13 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.208 0.305 19427 6193 1 13 . 1 1 78 78 ASP C C 78 174.868 174.868 177.801 -2.933 19427 6194 1 13 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.843 -0.565 19427 6195 1 13 . 1 1 78 78 ASP CB C 78 40.908 40.908 39.759 1.149 19427 6196 1 13 . 1 1 78 78 ASP H H 78 8.791 8.791 8.319 0.472 19427 6197 1 13 . 1 1 79 79 ALA N N 79 121.027 121.027 123.147 -2.120 19427 6198 1 13 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.951 0.050 19427 6199 1 13 . 1 1 79 79 ALA C C 79 178.803 178.803 179.223 -0.420 19427 6200 1 13 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.864 -0.473 19427 6201 1 13 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.671 1.249 19427 6202 1 13 . 1 1 79 79 ALA H H 79 8.287 8.287 7.561 0.726 19427 6203 1 13 . 1 1 80 80 ARG N N 80 115.805 115.805 116.501 -0.696 19427 6204 1 13 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.928 -0.004 19427 6205 1 13 . 1 1 80 80 ARG C C 80 178.254 178.254 177.624 0.630 19427 6206 1 13 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.909 0.320 19427 6207 1 13 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.724 0.534 19427 6208 1 13 . 1 1 80 80 ARG H H 80 7.689 7.689 8.232 -0.543 19427 6209 1 13 . 1 1 81 81 ARG N N 81 117.554 117.554 121.420 -3.866 19427 6210 1 13 . 1 1 81 81 ARG HA H 81 4.206 4.206 3.933 0.273 19427 6211 1 13 . 1 1 81 81 ARG C C 81 177.214 177.214 178.777 -1.563 19427 6212 1 13 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.959 -0.266 19427 6213 1 13 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.793 0.449 19427 6214 1 13 . 1 1 81 81 ARG H H 81 7.782 7.782 7.810 -0.028 19427 6215 1 13 . 1 1 82 82 ALA N N 82 121.590 121.590 122.468 -0.878 19427 6216 1 13 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.134 0.145 19427 6217 1 13 . 1 1 82 82 ALA C C 82 177.798 177.798 178.624 -0.826 19427 6218 1 13 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.779 -1.524 19427 6219 1 13 . 1 1 82 82 ALA CB C 82 19.563 19.563 18.872 0.691 19427 6220 1 13 . 1 1 82 82 ALA H H 82 7.875 7.875 8.050 -0.175 19427 6221 1 13 . 1 1 83 83 VAL N N 83 114.483 114.483 111.609 2.874 19427 6222 1 13 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.304 -0.163 19427 6223 1 13 . 1 1 83 83 VAL C C 83 175.572 175.572 175.359 0.213 19427 6224 1 13 . 1 1 83 83 VAL CA C 83 62.041 62.041 60.605 1.436 19427 6225 1 13 . 1 1 83 83 VAL CB C 83 32.781 32.781 30.846 1.935 19427 6226 1 13 . 1 1 83 83 VAL H H 83 7.503 7.503 7.685 -0.182 19427 6227 1 13 . 1 1 84 84 ALA N N 84 125.870 125.870 120.726 5.144 19427 6228 1 13 . 1 1 84 84 ALA HA H 84 4.321 4.321 3.862 0.459 19427 6229 1 13 . 1 1 84 84 ALA C C 84 177.696 177.696 176.761 0.935 19427 6230 1 13 . 1 1 84 84 ALA CA C 84 52.771 52.771 53.233 -0.463 19427 6231 1 13 . 1 1 84 84 ALA CB C 84 19.512 19.512 17.198 2.314 19427 6232 1 13 . 1 1 84 84 ALA H H 84 7.876 7.876 7.601 0.275 19427 6233 1 13 . 1 1 85 85 SER N N 85 114.965 114.965 113.233 1.732 19427 6234 1 13 . 1 1 85 85 SER HA H 85 4.396 4.396 5.315 -0.919 19427 6235 1 13 . 1 1 85 85 SER CA C 85 58.393 58.393 56.956 1.437 19427 6236 1 13 . 1 1 85 85 SER CB C 85 63.915 63.915 63.835 0.080 19427 6237 1 13 . 1 1 85 85 SER H H 85 8.521 8.521 7.846 0.675 19427 6238 1 13 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.443 0.223 19427 6239 1 13 . 1 1 86 86 HIS C C 86 174.868 174.868 176.340 -1.472 19427 6240 1 13 . 1 1 86 86 HIS CA C 86 56.321 56.321 60.141 -3.820 19427 6241 1 13 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.759 -0.446 19427 6242 1 13 . 1 1 87 87 ASP N N 87 121.205 121.205 116.339 4.866 19427 6243 1 13 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.805 -0.202 19427 6244 1 13 . 1 1 87 87 ASP C C 87 175.917 175.917 175.655 0.262 19427 6245 1 13 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.667 -0.090 19427 6246 1 13 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.526 -1.270 19427 6247 1 13 . 1 1 87 87 ASP H H 87 8.326 8.326 8.643 -0.317 19427 6248 1 13 . 1 1 88 88 GLU N N 88 121.167 121.167 120.322 0.845 19427 6249 1 13 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.671 -0.354 19427 6250 1 13 . 1 1 88 88 GLU C C 88 175.455 175.455 176.011 -0.556 19427 6251 1 13 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.095 0.277 19427 6252 1 13 . 1 1 88 88 GLU CB C 88 30.373 30.373 31.069 -0.696 19427 6253 1 13 . 1 1 88 88 GLU H H 88 8.352 8.352 8.449 -0.097 19427 6254 1 14 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.306 0.095 19427 6255 1 14 . 1 1 5 5 PRO C C 5 176.334 176.334 176.311 0.023 19427 6256 1 14 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.368 -0.585 19427 6257 1 14 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.644 0.710 19427 6258 1 14 . 1 1 6 6 LYS N N 6 121.980 121.980 123.105 -1.125 19427 6259 1 14 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.278 0.096 19427 6260 1 14 . 1 1 6 6 LYS C C 6 175.715 175.715 176.371 -0.656 19427 6261 1 14 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.922 0.250 19427 6262 1 14 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.338 -0.068 19427 6263 1 14 . 1 1 6 6 LYS H H 6 8.546 8.546 8.166 0.379 19427 6264 1 14 . 1 1 7 7 LEU N N 7 125.018 125.018 127.221 -2.203 19427 6265 1 14 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.485 0.038 19427 6266 1 14 . 1 1 7 7 LEU C C 7 174.994 174.994 175.463 -0.469 19427 6267 1 14 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.021 0.029 19427 6268 1 14 . 1 1 7 7 LEU CB C 7 43.171 43.171 42.448 0.723 19427 6269 1 14 . 1 1 7 7 LEU H H 7 8.620 8.620 8.186 0.434 19427 6270 1 14 . 1 1 8 8 VAL N N 8 121.522 121.522 124.776 -3.254 19427 6271 1 14 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.213 0.334 19427 6272 1 14 . 1 1 8 8 VAL C C 8 175.042 175.042 175.342 -0.300 19427 6273 1 14 . 1 1 8 8 VAL CA C 8 61.206 61.206 62.030 -0.824 19427 6274 1 14 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.321 2.275 19427 6275 1 14 . 1 1 8 8 VAL H H 8 8.084 8.084 8.522 -0.438 19427 6276 1 14 . 1 1 9 9 LEU N N 9 126.312 126.312 130.913 -4.601 19427 6277 1 14 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.516 0.424 19427 6278 1 14 . 1 1 9 9 LEU C C 9 175.831 175.831 174.929 0.902 19427 6279 1 14 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.738 -0.192 19427 6280 1 14 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.243 0.990 19427 6281 1 14 . 1 1 9 9 LEU H H 9 9.137 9.137 9.098 0.039 19427 6282 1 14 . 1 1 10 10 ASP N N 10 123.236 123.236 128.175 -4.939 19427 6283 1 14 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.778 0.070 19427 6284 1 14 . 1 1 10 10 ASP C C 10 176.685 176.685 176.675 0.010 19427 6285 1 14 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.596 -1.003 19427 6286 1 14 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.148 -0.328 19427 6287 1 14 . 1 1 10 10 ASP H H 10 9.002 9.002 8.384 0.618 19427 6288 1 14 . 1 1 11 11 LEU N N 11 124.059 124.059 126.681 -2.622 19427 6289 1 14 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.114 -0.048 19427 6290 1 14 . 1 1 11 11 LEU C C 11 180.169 180.169 178.833 1.336 19427 6291 1 14 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.368 -0.355 19427 6292 1 14 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.117 -1.267 19427 6293 1 14 . 1 1 11 11 LEU H H 11 8.273 8.273 8.314 -0.041 19427 6294 1 14 . 1 1 12 12 GLU N N 12 121.967 121.967 119.542 2.425 19427 6295 1 14 . 1 1 12 12 GLU HA H 12 4.174 4.174 3.988 0.186 19427 6296 1 14 . 1 1 12 12 GLU C C 12 179.719 179.719 178.722 0.997 19427 6297 1 14 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.390 0.238 19427 6298 1 14 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.354 0.206 19427 6299 1 14 . 1 1 12 12 GLU H H 12 8.273 8.273 7.917 0.356 19427 6300 1 14 . 1 1 13 13 ARG N N 13 119.595 119.595 119.192 0.403 19427 6301 1 14 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.140 0.032 19427 6302 1 14 . 1 1 13 13 ARG C C 13 179.909 179.909 179.363 0.546 19427 6303 1 14 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.246 -0.935 19427 6304 1 14 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.910 -0.354 19427 6305 1 14 . 1 1 13 13 ARG H H 13 8.081 8.081 8.810 -0.729 19427 6306 1 14 . 1 1 14 14 LEU N N 14 120.325 120.325 120.904 -0.579 19427 6307 1 14 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.134 -0.187 19427 6308 1 14 . 1 1 14 14 LEU C C 14 177.166 177.166 178.824 -1.658 19427 6309 1 14 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.911 -0.337 19427 6310 1 14 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.831 -0.033 19427 6311 1 14 . 1 1 14 14 LEU H H 14 8.205 8.205 8.269 -0.064 19427 6312 1 14 . 1 1 15 15 ALA N N 15 117.835 117.835 118.473 -0.638 19427 6313 1 14 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.317 -0.192 19427 6314 1 14 . 1 1 15 15 ALA C C 15 178.500 178.500 178.463 0.037 19427 6315 1 14 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.249 0.070 19427 6316 1 14 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.633 0.079 19427 6317 1 14 . 1 1 15 15 ALA H H 15 7.265 7.265 8.083 -0.818 19427 6318 1 14 . 1 1 16 16 THR N N 16 105.967 105.967 112.077 -6.110 19427 6319 1 14 . 1 1 16 16 THR HA H 16 4.378 4.378 4.291 0.087 19427 6320 1 14 . 1 1 16 16 THR C C 16 174.639 174.639 174.750 -0.111 19427 6321 1 14 . 1 1 16 16 THR CA C 16 61.642 61.642 63.317 -1.675 19427 6322 1 14 . 1 1 16 16 THR CB C 16 69.957 69.957 69.727 0.230 19427 6323 1 14 . 1 1 16 16 THR H H 16 7.530 7.530 7.610 -0.080 19427 6324 1 14 . 1 1 17 17 VAL N N 17 126.962 126.962 124.045 2.917 19427 6325 1 14 . 1 1 17 17 VAL HA H 17 3.985 3.985 3.939 0.046 19427 6326 1 14 . 1 1 17 17 VAL CA C 17 60.535 60.535 60.250 0.285 19427 6327 1 14 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.286 1.102 19427 6328 1 14 . 1 1 17 17 VAL H H 17 7.208 7.208 7.223 -0.015 19427 6329 1 14 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.228 0.040 19427 6330 1 14 . 1 1 18 18 PRO C C 18 178.094 178.094 177.428 0.666 19427 6331 1 14 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.283 0.565 19427 6332 1 14 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.417 0.294 19427 6333 1 14 . 1 1 19 19 ALA N N 19 128.383 128.383 128.304 0.079 19427 6334 1 14 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.075 -0.131 19427 6335 1 14 . 1 1 19 19 ALA C C 19 180.008 180.008 179.983 0.025 19427 6336 1 14 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.873 0.444 19427 6337 1 14 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.630 0.284 19427 6338 1 14 . 1 1 19 19 ALA H H 19 8.872 8.872 8.631 0.241 19427 6339 1 14 . 1 1 20 20 GLU N N 20 118.522 118.522 117.847 0.675 19427 6340 1 14 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.074 0.040 19427 6341 1 14 . 1 1 20 20 GLU C C 20 177.573 177.573 177.646 -0.073 19427 6342 1 14 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.796 0.840 19427 6343 1 14 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.427 -0.589 19427 6344 1 14 . 1 1 20 20 GLU H H 20 9.459 9.459 8.883 0.576 19427 6345 1 14 . 1 1 21 21 LYS N N 21 115.147 115.147 117.446 -2.299 19427 6346 1 14 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.403 0.249 19427 6347 1 14 . 1 1 21 21 LYS C C 21 177.045 177.045 177.176 -0.131 19427 6348 1 14 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.337 -0.350 19427 6349 1 14 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.863 0.089 19427 6350 1 14 . 1 1 21 21 LYS H H 21 7.441 7.441 7.808 -0.367 19427 6351 1 14 . 1 1 22 22 ALA N N 22 119.898 119.898 120.242 -0.344 19427 6352 1 14 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.764 -0.620 19427 6353 1 14 . 1 1 22 22 ALA C C 22 177.520 177.520 178.678 -1.158 19427 6354 1 14 . 1 1 22 22 ALA CA C 22 53.181 53.181 51.719 1.462 19427 6355 1 14 . 1 1 22 22 ALA CB C 22 20.231 20.231 19.543 0.688 19427 6356 1 14 . 1 1 22 22 ALA H H 22 8.096 8.096 8.310 -0.214 19427 6357 1 14 . 1 1 23 23 GLY N N 23 107.148 107.148 109.444 -2.296 19427 6358 1 14 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.115 0.896 19427 6359 1 14 . 1 1 23 23 GLY H H 23 8.484 8.484 8.203 0.281 19427 6360 1 14 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.432 -0.258 19427 6361 1 14 . 1 1 24 24 PRO C C 24 179.318 179.318 178.156 1.162 19427 6362 1 14 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.264 0.689 19427 6363 1 14 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.392 -0.021 19427 6364 1 14 . 1 1 25 25 LEU N N 25 118.416 118.416 120.257 -1.841 19427 6365 1 14 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.581 -0.225 19427 6366 1 14 . 1 1 25 25 LEU C C 25 177.871 177.871 178.779 -0.908 19427 6367 1 14 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.792 1.143 19427 6368 1 14 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.590 0.760 19427 6369 1 14 . 1 1 25 25 LEU H H 25 7.394 7.394 7.637 -0.243 19427 6370 1 14 . 1 1 26 26 GLN N N 26 119.819 119.819 118.886 0.933 19427 6371 1 14 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.983 -0.089 19427 6372 1 14 . 1 1 26 26 GLN C C 26 179.865 179.865 178.693 1.172 19427 6373 1 14 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.692 0.079 19427 6374 1 14 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.440 -0.886 19427 6375 1 14 . 1 1 26 26 GLN H H 26 8.885 8.885 8.668 0.217 19427 6376 1 14 . 1 1 27 27 ARG N N 27 119.761 119.761 120.111 -0.350 19427 6377 1 14 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.020 0.121 19427 6378 1 14 . 1 1 27 27 ARG C C 27 178.950 178.950 178.683 0.267 19427 6379 1 14 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.746 -0.110 19427 6380 1 14 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.211 0.205 19427 6381 1 14 . 1 1 27 27 ARG H H 27 8.694 8.694 8.138 0.556 19427 6382 1 14 . 1 1 28 28 TYR N N 28 122.540 122.540 120.839 1.701 19427 6383 1 14 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.238 -0.067 19427 6384 1 14 . 1 1 28 28 TYR C C 28 177.843 177.843 177.482 0.361 19427 6385 1 14 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.146 1.132 19427 6386 1 14 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.450 1.263 19427 6387 1 14 . 1 1 28 28 TYR H H 28 8.211 8.211 8.299 -0.088 19427 6388 1 14 . 1 1 29 29 ALA N N 29 120.477 120.477 121.396 -0.919 19427 6389 1 14 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.980 -0.218 19427 6390 1 14 . 1 1 29 29 ALA C C 29 178.739 178.739 179.430 -0.691 19427 6391 1 14 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.346 -0.161 19427 6392 1 14 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.954 -0.025 19427 6393 1 14 . 1 1 29 29 ALA H H 29 9.065 9.065 8.782 0.283 19427 6394 1 14 . 1 1 30 30 ALA N N 30 118.596 118.596 120.457 -1.861 19427 6395 1 14 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.428 -0.141 19427 6396 1 14 . 1 1 30 30 ALA C C 30 180.895 180.895 179.641 1.254 19427 6397 1 14 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.665 0.411 19427 6398 1 14 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.450 -0.364 19427 6399 1 14 . 1 1 30 30 ALA H H 30 7.741 7.741 8.453 -0.712 19427 6400 1 14 . 1 1 31 31 THR N N 31 116.024 116.024 116.754 -0.730 19427 6401 1 14 . 1 1 31 31 THR HA H 31 3.995 3.995 4.014 -0.019 19427 6402 1 14 . 1 1 31 31 THR C C 31 176.687 176.687 176.453 0.234 19427 6403 1 14 . 1 1 31 31 THR CA C 31 66.452 66.452 67.436 -0.984 19427 6404 1 14 . 1 1 31 31 THR CB C 31 68.867 68.867 68.436 0.431 19427 6405 1 14 . 1 1 31 31 THR H H 31 7.914 7.914 7.666 0.248 19427 6406 1 14 . 1 1 32 32 ILE N N 32 121.094 121.094 122.795 -1.701 19427 6407 1 14 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.942 -0.127 19427 6408 1 14 . 1 1 32 32 ILE C C 32 178.583 178.583 178.276 0.307 19427 6409 1 14 . 1 1 32 32 ILE CA C 32 64.153 64.153 65.212 -1.059 19427 6410 1 14 . 1 1 32 32 ILE CB C 32 36.940 36.940 37.546 -0.606 19427 6411 1 14 . 1 1 32 32 ILE H H 32 7.846 7.846 8.411 -0.565 19427 6412 1 14 . 1 1 33 33 GLN N N 33 119.832 119.832 118.268 1.564 19427 6413 1 14 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.914 -0.075 19427 6414 1 14 . 1 1 33 33 GLN C C 33 178.264 178.264 178.587 -0.323 19427 6415 1 14 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.247 0.611 19427 6416 1 14 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.344 1.021 19427 6417 1 14 . 1 1 33 33 GLN H H 33 8.374 8.374 8.506 -0.132 19427 6418 1 14 . 1 1 34 34 SER N N 34 112.726 112.726 115.677 -2.951 19427 6419 1 14 . 1 1 34 34 SER HA H 34 4.333 4.333 4.138 0.195 19427 6420 1 14 . 1 1 34 34 SER C C 34 176.817 176.817 177.342 -0.525 19427 6421 1 14 . 1 1 34 34 SER CA C 34 60.915 60.915 61.384 -0.469 19427 6422 1 14 . 1 1 34 34 SER CB C 34 63.235 63.235 62.867 0.368 19427 6423 1 14 . 1 1 34 34 SER H H 34 7.816 7.816 7.872 -0.056 19427 6424 1 14 . 1 1 35 35 GLN N N 35 120.724 120.724 120.458 0.266 19427 6425 1 14 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.103 0.091 19427 6426 1 14 . 1 1 35 35 GLN C C 35 177.930 177.930 177.715 0.215 19427 6427 1 14 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.481 -0.372 19427 6428 1 14 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.827 0.361 19427 6429 1 14 . 1 1 35 35 GLN H H 35 8.034 8.034 8.191 -0.157 19427 6430 1 14 . 1 1 36 36 ARG N N 36 116.267 116.267 118.673 -2.406 19427 6431 1 14 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.434 -0.036 19427 6432 1 14 . 1 1 36 36 ARG C C 36 177.013 177.013 176.628 0.385 19427 6433 1 14 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.119 0.305 19427 6434 1 14 . 1 1 36 36 ARG CB C 36 31.418 31.418 31.331 0.087 19427 6435 1 14 . 1 1 36 36 ARG H H 36 8.091 8.091 7.844 0.247 19427 6436 1 14 . 1 1 37 37 GLY N N 37 109.299 109.299 109.211 0.088 19427 6437 1 14 . 1 1 37 37 GLY C C 37 173.661 173.661 173.805 -0.144 19427 6438 1 14 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.211 1.059 19427 6439 1 14 . 1 1 37 37 GLY H H 37 7.972 7.972 7.773 0.199 19427 6440 1 14 . 1 1 38 38 ASP N N 38 119.246 119.246 121.329 -2.083 19427 6441 1 14 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.438 0.277 19427 6442 1 14 . 1 1 38 38 ASP C C 38 175.405 175.405 175.437 -0.032 19427 6443 1 14 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.566 -0.395 19427 6444 1 14 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.495 -0.855 19427 6445 1 14 . 1 1 38 38 ASP H H 38 7.838 7.838 8.422 -0.584 19427 6446 1 14 . 1 1 39 39 TYR N N 39 121.210 121.210 118.406 2.804 19427 6447 1 14 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.820 -0.293 19427 6448 1 14 . 1 1 39 39 TYR C C 39 176.937 176.937 173.964 2.973 19427 6449 1 14 . 1 1 39 39 TYR CA C 39 58.128 58.128 56.155 1.973 19427 6450 1 14 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.923 -0.335 19427 6451 1 14 . 1 1 39 39 TYR H H 39 8.202 8.202 7.610 0.592 19427 6452 1 14 . 1 1 40 40 ASN N N 40 120.622 120.622 119.942 0.680 19427 6453 1 14 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.874 -0.255 19427 6454 1 14 . 1 1 40 40 ASN C C 40 175.853 175.853 176.071 -0.218 19427 6455 1 14 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.337 2.046 19427 6456 1 14 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.132 0.374 19427 6457 1 14 . 1 1 40 40 ASN H H 40 8.393 8.393 7.766 0.627 19427 6458 1 14 . 1 1 41 41 GLY N N 41 107.971 107.971 108.760 -0.789 19427 6459 1 14 . 1 1 41 41 GLY C C 41 173.926 173.926 174.364 -0.438 19427 6460 1 14 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.026 0.904 19427 6461 1 14 . 1 1 41 41 GLY H H 41 8.103 8.103 8.333 -0.230 19427 6462 1 14 . 1 1 42 42 LYS N N 42 119.472 119.472 119.120 0.352 19427 6463 1 14 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.334 0.155 19427 6464 1 14 . 1 1 42 42 LYS C C 42 176.201 176.201 175.908 0.293 19427 6465 1 14 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.651 0.058 19427 6466 1 14 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.686 0.659 19427 6467 1 14 . 1 1 42 42 LYS H H 42 8.652 8.652 8.239 0.413 19427 6468 1 14 . 1 1 43 43 VAL N N 43 112.852 112.852 112.155 0.697 19427 6469 1 14 . 1 1 43 43 VAL HA H 43 5.330 5.330 4.970 0.360 19427 6470 1 14 . 1 1 43 43 VAL C C 43 174.906 174.906 174.355 0.551 19427 6471 1 14 . 1 1 43 43 VAL CA C 43 59.264 59.264 60.187 -0.923 19427 6472 1 14 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.290 0.663 19427 6473 1 14 . 1 1 43 43 VAL H H 43 7.840 7.840 7.287 0.553 19427 6474 1 14 . 1 1 44 44 LEU N N 44 123.642 123.642 124.966 -1.324 19427 6475 1 14 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.884 -0.095 19427 6476 1 14 . 1 1 44 44 LEU C C 44 175.260 175.260 175.301 -0.041 19427 6477 1 14 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.762 0.114 19427 6478 1 14 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.291 1.206 19427 6479 1 14 . 1 1 44 44 LEU H H 44 8.610 8.610 9.142 -0.532 19427 6480 1 14 . 1 1 45 45 SER N N 45 124.267 124.267 122.867 1.400 19427 6481 1 14 . 1 1 45 45 SER HA H 45 5.052 5.052 4.844 0.208 19427 6482 1 14 . 1 1 45 45 SER C C 45 174.246 174.246 174.413 -0.167 19427 6483 1 14 . 1 1 45 45 SER CA C 45 58.852 58.852 58.297 0.555 19427 6484 1 14 . 1 1 45 45 SER CB C 45 63.509 63.509 62.696 0.813 19427 6485 1 14 . 1 1 45 45 SER H H 45 9.111 9.111 8.639 0.472 19427 6486 1 14 . 1 1 46 46 ILE N N 46 118.924 118.924 122.726 -3.802 19427 6487 1 14 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.648 0.132 19427 6488 1 14 . 1 1 46 46 ILE C C 46 174.199 174.199 174.387 -0.188 19427 6489 1 14 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.468 0.134 19427 6490 1 14 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.172 1.423 19427 6491 1 14 . 1 1 46 46 ILE H H 46 8.542 8.542 8.943 -0.401 19427 6492 1 14 . 1 1 47 47 ARG N N 47 119.572 119.572 119.078 0.494 19427 6493 1 14 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.695 0.170 19427 6494 1 14 . 1 1 47 47 ARG C C 47 178.511 178.511 177.889 0.622 19427 6495 1 14 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.904 -0.396 19427 6496 1 14 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.275 2.043 19427 6497 1 14 . 1 1 47 47 ARG H H 47 9.488 9.488 8.261 1.227 19427 6498 1 14 . 1 1 48 48 GLN N N 48 122.809 122.809 121.388 1.421 19427 6499 1 14 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.932 -0.114 19427 6500 1 14 . 1 1 48 48 GLN C C 48 178.972 178.972 178.266 0.706 19427 6501 1 14 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.805 0.722 19427 6502 1 14 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.664 -0.380 19427 6503 1 14 . 1 1 48 48 GLN H H 48 9.350 9.350 8.947 0.403 19427 6504 1 14 . 1 1 49 49 ASP N N 49 115.682 115.682 118.555 -2.873 19427 6505 1 14 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.422 -0.062 19427 6506 1 14 . 1 1 49 49 ASP C C 49 178.758 178.758 178.215 0.543 19427 6507 1 14 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.001 0.356 19427 6508 1 14 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.477 0.006 19427 6509 1 14 . 1 1 49 49 ASP H H 49 8.855 8.855 8.448 0.407 19427 6510 1 14 . 1 1 50 50 ASP N N 50 117.926 117.926 120.029 -2.103 19427 6511 1 14 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.362 0.250 19427 6512 1 14 . 1 1 50 50 ASP C C 50 177.865 177.865 178.224 -0.359 19427 6513 1 14 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.226 0.849 19427 6514 1 14 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.732 0.907 19427 6515 1 14 . 1 1 50 50 ASP H H 50 7.519 7.519 8.258 -0.739 19427 6516 1 14 . 1 1 51 51 LEU N N 51 118.893 118.893 121.237 -2.344 19427 6517 1 14 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.047 -0.135 19427 6518 1 14 . 1 1 51 51 LEU C C 51 178.254 178.254 178.138 0.116 19427 6519 1 14 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.204 0.925 19427 6520 1 14 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.966 -0.569 19427 6521 1 14 . 1 1 51 51 LEU H H 51 7.444 7.444 7.990 -0.546 19427 6522 1 14 . 1 1 52 52 ARG N N 52 117.366 117.366 119.300 -1.934 19427 6523 1 14 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.818 0.092 19427 6524 1 14 . 1 1 52 52 ARG C C 52 178.886 178.886 178.442 0.444 19427 6525 1 14 . 1 1 52 52 ARG CA C 52 60.285 60.285 60.222 0.062 19427 6526 1 14 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.100 -0.282 19427 6527 1 14 . 1 1 52 52 ARG H H 52 7.757 7.757 8.224 -0.467 19427 6528 1 14 . 1 1 53 53 THR N N 53 118.266 118.266 116.114 2.152 19427 6529 1 14 . 1 1 53 53 THR HA H 53 3.924 3.924 3.958 -0.034 19427 6530 1 14 . 1 1 53 53 THR C C 53 176.626 176.626 176.428 0.198 19427 6531 1 14 . 1 1 53 53 THR CA C 53 67.001 67.001 66.418 0.583 19427 6532 1 14 . 1 1 53 53 THR CB C 53 68.759 68.759 68.790 -0.030 19427 6533 1 14 . 1 1 53 53 THR H H 53 7.973 7.973 7.701 0.272 19427 6534 1 14 . 1 1 54 54 LEU N N 54 122.030 122.030 121.542 0.488 19427 6535 1 14 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.478 0.331 19427 6536 1 14 . 1 1 54 54 LEU C C 54 177.755 177.755 178.376 -0.621 19427 6537 1 14 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.693 0.130 19427 6538 1 14 . 1 1 54 54 LEU CB C 54 43.089 43.089 41.363 1.726 19427 6539 1 14 . 1 1 54 54 LEU H H 54 8.355 8.355 7.793 0.562 19427 6540 1 14 . 1 1 55 55 ALA N N 55 122.634 122.634 119.877 2.757 19427 6541 1 14 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.925 -0.033 19427 6542 1 14 . 1 1 55 55 ALA C C 55 179.192 179.192 179.061 0.131 19427 6543 1 14 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.158 1.347 19427 6544 1 14 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.151 -0.987 19427 6545 1 14 . 1 1 55 55 ALA H H 55 8.195 8.195 8.396 -0.201 19427 6546 1 14 . 1 1 56 56 VAL N N 56 118.079 118.079 117.019 1.060 19427 6547 1 14 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.758 0.103 19427 6548 1 14 . 1 1 56 56 VAL C C 56 180.389 180.389 178.442 1.947 19427 6549 1 14 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.784 0.803 19427 6550 1 14 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.217 0.476 19427 6551 1 14 . 1 1 56 56 VAL H H 56 7.402 7.402 7.401 0.001 19427 6552 1 14 . 1 1 57 57 ILE N N 57 122.536 122.536 120.208 2.328 19427 6553 1 14 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.656 -0.052 19427 6554 1 14 . 1 1 57 57 ILE C C 57 177.942 177.942 176.460 1.482 19427 6555 1 14 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.166 1.677 19427 6556 1 14 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.416 0.970 19427 6557 1 14 . 1 1 57 57 ILE H H 57 7.893 7.893 7.293 0.600 19427 6558 1 14 . 1 1 58 58 TYR N N 58 117.060 117.060 115.311 1.749 19427 6559 1 14 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.655 -0.524 19427 6560 1 14 . 1 1 58 58 TYR C C 58 174.728 174.728 175.273 -0.545 19427 6561 1 14 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.537 5.227 19427 6562 1 14 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.909 1.118 19427 6563 1 14 . 1 1 58 58 TYR H H 58 8.319 8.319 7.035 1.284 19427 6564 1 14 . 1 1 59 59 ASP N N 59 122.545 122.545 116.945 5.600 19427 6565 1 14 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.291 0.059 19427 6566 1 14 . 1 1 59 59 ASP C C 59 174.853 174.853 175.139 -0.286 19427 6567 1 14 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.863 -0.750 19427 6568 1 14 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.636 0.176 19427 6569 1 14 . 1 1 59 59 ASP H H 59 8.177 8.177 7.861 0.316 19427 6570 1 14 . 1 1 60 60 GLN N N 60 116.007 116.007 117.948 -1.941 19427 6571 1 14 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.649 0.081 19427 6572 1 14 . 1 1 60 60 GLN C C 60 174.853 174.853 175.175 -0.322 19427 6573 1 14 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.332 -0.819 19427 6574 1 14 . 1 1 60 60 GLN CB C 60 34.384 34.384 30.392 3.992 19427 6575 1 14 . 1 1 60 60 GLN H H 60 8.424 8.424 7.966 0.458 19427 6576 1 14 . 1 1 61 61 SER N N 61 116.009 116.009 119.275 -3.266 19427 6577 1 14 . 1 1 61 61 SER HA H 61 4.783 4.783 4.578 0.205 19427 6578 1 14 . 1 1 61 61 SER CA C 61 56.443 56.443 55.438 1.005 19427 6579 1 14 . 1 1 61 61 SER CB C 61 62.811 62.811 64.092 -1.281 19427 6580 1 14 . 1 1 61 61 SER H H 61 8.424 8.424 8.666 -0.242 19427 6581 1 14 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.114 -0.078 19427 6582 1 14 . 1 1 62 62 PRO C C 62 179.161 179.161 178.490 0.671 19427 6583 1 14 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.455 1.041 19427 6584 1 14 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.747 0.033 19427 6585 1 14 . 1 1 63 63 SER N N 63 114.103 114.103 113.829 0.274 19427 6586 1 14 . 1 1 63 63 SER HA H 63 4.838 4.838 4.158 0.680 19427 6587 1 14 . 1 1 63 63 SER C C 63 176.141 176.141 176.814 -0.673 19427 6588 1 14 . 1 1 63 63 SER CB C 63 62.293 62.293 62.738 -0.445 19427 6589 1 14 . 1 1 63 63 SER H H 63 8.596 8.596 8.038 0.558 19427 6590 1 14 . 1 1 64 64 VAL N N 64 125.461 125.461 122.315 3.146 19427 6591 1 14 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.699 -0.138 19427 6592 1 14 . 1 1 64 64 VAL C C 64 178.754 178.754 177.652 1.102 19427 6593 1 14 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.711 0.721 19427 6594 1 14 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.760 0.257 19427 6595 1 14 . 1 1 64 64 VAL H H 64 7.381 7.381 7.481 -0.100 19427 6596 1 14 . 1 1 65 65 LEU N N 65 121.843 121.843 121.160 0.683 19427 6597 1 14 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.897 0.002 19427 6598 1 14 . 1 1 65 65 LEU C C 65 178.836 178.836 178.760 0.076 19427 6599 1 14 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.724 -1.412 19427 6600 1 14 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.987 0.268 19427 6601 1 14 . 1 1 65 65 LEU H H 65 8.437 8.437 8.802 -0.365 19427 6602 1 14 . 1 1 66 66 THR N N 66 115.794 115.794 114.570 1.224 19427 6603 1 14 . 1 1 66 66 THR HA H 66 3.321 3.321 3.825 -0.504 19427 6604 1 14 . 1 1 66 66 THR C C 66 175.591 175.591 176.940 -1.349 19427 6605 1 14 . 1 1 66 66 THR CA C 66 69.056 69.056 67.252 1.804 19427 6606 1 14 . 1 1 66 66 THR CB C 66 67.992 67.992 68.243 -0.251 19427 6607 1 14 . 1 1 66 66 THR H H 66 8.079 8.079 8.065 0.014 19427 6608 1 14 . 1 1 67 67 GLU N N 67 118.543 118.543 121.097 -2.554 19427 6609 1 14 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.955 -0.114 19427 6610 1 14 . 1 1 67 67 GLU C C 67 179.342 179.342 179.009 0.333 19427 6611 1 14 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.293 -0.068 19427 6612 1 14 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.137 -0.216 19427 6613 1 14 . 1 1 67 67 GLU H H 67 7.594 7.594 7.585 0.009 19427 6614 1 14 . 1 1 68 68 GLN N N 68 120.882 120.882 119.878 1.004 19427 6615 1 14 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.801 -0.101 19427 6616 1 14 . 1 1 68 68 GLN C C 68 177.403 177.403 177.950 -0.547 19427 6617 1 14 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.191 0.202 19427 6618 1 14 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.945 0.429 19427 6619 1 14 . 1 1 68 68 GLN H H 68 7.847 7.847 8.154 -0.307 19427 6620 1 14 . 1 1 69 69 LEU N N 69 118.421 118.421 119.746 -1.325 19427 6621 1 14 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.438 0.035 19427 6622 1 14 . 1 1 69 69 LEU C C 69 180.177 180.177 179.017 1.160 19427 6623 1 14 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.360 1.053 19427 6624 1 14 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.799 0.172 19427 6625 1 14 . 1 1 69 69 LEU H H 69 7.986 7.986 7.497 0.489 19427 6626 1 14 . 1 1 70 70 ILE N N 70 121.346 121.346 119.790 1.556 19427 6627 1 14 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.758 0.402 19427 6628 1 14 . 1 1 70 70 ILE C C 70 180.910 180.910 178.522 2.388 19427 6629 1 14 . 1 1 70 70 ILE CA C 70 65.050 65.050 65.183 -0.133 19427 6630 1 14 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.790 0.555 19427 6631 1 14 . 1 1 70 70 ILE H H 70 8.262 8.262 8.316 -0.054 19427 6632 1 14 . 1 1 71 71 SER N N 71 120.236 120.236 115.015 5.221 19427 6633 1 14 . 1 1 71 71 SER HA H 71 4.273 4.273 4.229 0.044 19427 6634 1 14 . 1 1 71 71 SER C C 71 177.045 177.045 176.208 0.837 19427 6635 1 14 . 1 1 71 71 SER CA C 71 62.544 62.544 61.620 0.924 19427 6636 1 14 . 1 1 71 71 SER CB C 71 62.839 62.839 63.047 -0.208 19427 6637 1 14 . 1 1 71 71 SER H H 71 8.388 8.388 7.846 0.542 19427 6638 1 14 . 1 1 72 72 TRP N N 72 119.364 119.364 119.768 -0.404 19427 6639 1 14 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.617 0.309 19427 6640 1 14 . 1 1 72 72 TRP C C 72 176.839 176.839 176.897 -0.058 19427 6641 1 14 . 1 1 72 72 TRP CA C 72 55.764 55.764 56.970 -1.206 19427 6642 1 14 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.766 2.498 19427 6643 1 14 . 1 1 72 72 TRP H H 72 8.066 8.066 8.251 -0.185 19427 6644 1 14 . 1 1 73 73 GLY N N 73 106.514 106.514 105.618 0.896 19427 6645 1 14 . 1 1 73 73 GLY C C 73 174.697 174.697 175.126 -0.429 19427 6646 1 14 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.208 0.195 19427 6647 1 14 . 1 1 73 73 GLY H H 73 8.242 8.242 7.632 0.610 19427 6648 1 14 . 1 1 74 74 VAL N N 74 114.793 114.793 119.915 -5.122 19427 6649 1 14 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.158 0.039 19427 6650 1 14 . 1 1 74 74 VAL C C 74 174.015 174.015 175.755 -1.740 19427 6651 1 14 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.131 -1.018 19427 6652 1 14 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.596 0.253 19427 6653 1 14 . 1 1 74 74 VAL H H 74 7.834 7.834 8.342 -0.508 19427 6654 1 14 . 1 1 75 75 LEU N N 75 118.357 118.357 114.217 4.140 19427 6655 1 14 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.725 0.186 19427 6656 1 14 . 1 1 75 75 LEU C C 75 175.022 175.022 175.496 -0.474 19427 6657 1 14 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.720 -0.088 19427 6658 1 14 . 1 1 75 75 LEU CB C 75 47.158 47.158 44.186 2.972 19427 6659 1 14 . 1 1 75 75 LEU H H 75 6.898 6.898 7.215 -0.317 19427 6660 1 14 . 1 1 76 76 ASP N N 76 122.400 122.400 118.776 3.624 19427 6661 1 14 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.598 0.005 19427 6662 1 14 . 1 1 76 76 ASP C C 76 176.384 176.384 177.300 -0.916 19427 6663 1 14 . 1 1 76 76 ASP CA C 76 54.383 54.383 53.942 0.441 19427 6664 1 14 . 1 1 76 76 ASP CB C 76 43.227 43.227 42.479 0.748 19427 6665 1 14 . 1 1 76 76 ASP H H 76 8.412 8.412 8.538 -0.126 19427 6666 1 14 . 1 1 77 77 ALA N N 77 123.828 123.828 126.369 -2.541 19427 6667 1 14 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.116 -0.062 19427 6668 1 14 . 1 1 77 77 ALA C C 77 179.068 179.068 178.953 0.115 19427 6669 1 14 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.317 0.414 19427 6670 1 14 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.820 -0.071 19427 6671 1 14 . 1 1 77 77 ALA H H 77 8.601 8.601 8.714 -0.113 19427 6672 1 14 . 1 1 78 78 ASP N N 78 118.882 118.882 119.908 -1.026 19427 6673 1 14 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.407 0.106 19427 6674 1 14 . 1 1 78 78 ASP C C 78 174.868 174.868 177.535 -2.667 19427 6675 1 14 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.195 0.083 19427 6676 1 14 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.693 0.215 19427 6677 1 14 . 1 1 78 78 ASP H H 78 8.791 8.791 8.581 0.210 19427 6678 1 14 . 1 1 79 79 ALA N N 79 121.027 121.027 122.317 -1.290 19427 6679 1 14 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.971 0.030 19427 6680 1 14 . 1 1 79 79 ALA C C 79 178.803 178.803 179.916 -1.113 19427 6681 1 14 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.788 -0.397 19427 6682 1 14 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.341 1.579 19427 6683 1 14 . 1 1 79 79 ALA H H 79 8.287 8.287 7.512 0.775 19427 6684 1 14 . 1 1 80 80 ARG N N 80 115.805 115.805 118.667 -2.862 19427 6685 1 14 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.017 -0.093 19427 6686 1 14 . 1 1 80 80 ARG C C 80 178.254 178.254 178.685 -0.431 19427 6687 1 14 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.495 0.735 19427 6688 1 14 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.680 0.577 19427 6689 1 14 . 1 1 80 80 ARG H H 80 7.689 7.689 7.624 0.065 19427 6690 1 14 . 1 1 81 81 ARG N N 81 117.554 117.554 119.868 -2.314 19427 6691 1 14 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.097 0.109 19427 6692 1 14 . 1 1 81 81 ARG C C 81 177.214 177.214 178.167 -0.953 19427 6693 1 14 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.219 -0.526 19427 6694 1 14 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.362 0.880 19427 6695 1 14 . 1 1 81 81 ARG H H 81 7.782 7.782 8.623 -0.841 19427 6696 1 14 . 1 1 82 82 ALA N N 82 121.590 121.590 121.649 -0.059 19427 6697 1 14 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.214 0.065 19427 6698 1 14 . 1 1 82 82 ALA C C 82 177.798 177.798 178.709 -0.911 19427 6699 1 14 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.877 -1.621 19427 6700 1 14 . 1 1 82 82 ALA CB C 82 19.563 19.563 18.395 1.168 19427 6701 1 14 . 1 1 82 82 ALA H H 82 7.875 7.875 7.602 0.273 19427 6702 1 14 . 1 1 83 83 VAL N N 83 114.483 114.483 114.956 -0.473 19427 6703 1 14 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.058 0.083 19427 6704 1 14 . 1 1 83 83 VAL C C 83 175.572 175.572 176.572 -1.000 19427 6705 1 14 . 1 1 83 83 VAL CA C 83 62.041 62.041 63.534 -1.493 19427 6706 1 14 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.542 0.239 19427 6707 1 14 . 1 1 83 83 VAL H H 83 7.503 7.503 7.439 0.064 19427 6708 1 14 . 1 1 84 84 ALA N N 84 125.870 125.870 121.540 4.330 19427 6709 1 14 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.113 0.208 19427 6710 1 14 . 1 1 84 84 ALA C C 84 177.696 177.696 179.371 -1.675 19427 6711 1 14 . 1 1 84 84 ALA CA C 84 52.771 52.771 53.886 -1.115 19427 6712 1 14 . 1 1 84 84 ALA CB C 84 19.512 19.512 18.491 1.021 19427 6713 1 14 . 1 1 84 84 ALA H H 84 7.876 7.876 7.836 0.040 19427 6714 1 14 . 1 1 85 85 SER N N 85 114.965 114.965 114.477 0.488 19427 6715 1 14 . 1 1 85 85 SER HA H 85 4.396 4.396 4.280 0.116 19427 6716 1 14 . 1 1 85 85 SER CA C 85 58.393 58.393 60.724 -2.331 19427 6717 1 14 . 1 1 85 85 SER CB C 85 63.915 63.915 63.436 0.479 19427 6718 1 14 . 1 1 85 85 SER H H 85 8.521 8.521 8.064 0.457 19427 6719 1 14 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.893 -0.227 19427 6720 1 14 . 1 1 86 86 HIS C C 86 174.868 174.868 173.441 1.427 19427 6721 1 14 . 1 1 86 86 HIS CA C 86 56.321 56.321 53.125 3.196 19427 6722 1 14 . 1 1 86 86 HIS CB C 86 30.312 30.312 28.977 1.335 19427 6723 1 14 . 1 1 87 87 ASP N N 87 121.205 121.205 121.710 -0.505 19427 6724 1 14 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.451 0.152 19427 6725 1 14 . 1 1 87 87 ASP C C 87 175.917 175.917 175.887 0.030 19427 6726 1 14 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.548 0.029 19427 6727 1 14 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.959 0.297 19427 6728 1 14 . 1 1 87 87 ASP H H 87 8.326 8.326 8.005 0.321 19427 6729 1 14 . 1 1 88 88 GLU N N 88 121.167 121.167 123.120 -1.953 19427 6730 1 14 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.741 -0.424 19427 6731 1 14 . 1 1 88 88 GLU C C 88 175.455 175.455 175.852 -0.397 19427 6732 1 14 . 1 1 88 88 GLU CA C 88 56.372 56.372 55.585 0.787 19427 6733 1 14 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.854 -0.481 19427 6734 1 14 . 1 1 88 88 GLU H H 88 8.352 8.352 8.494 -0.142 19427 6735 1 15 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.467 -0.066 19427 6736 1 15 . 1 1 5 5 PRO C C 5 176.334 176.334 176.165 0.169 19427 6737 1 15 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.631 0.152 19427 6738 1 15 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.008 0.346 19427 6739 1 15 . 1 1 6 6 LYS N N 6 121.980 121.980 122.267 -0.287 19427 6740 1 15 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.421 -0.047 19427 6741 1 15 . 1 1 6 6 LYS C C 6 175.715 175.715 176.363 -0.648 19427 6742 1 15 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.589 0.583 19427 6743 1 15 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.774 -0.504 19427 6744 1 15 . 1 1 6 6 LYS H H 6 8.546 8.546 8.266 0.280 19427 6745 1 15 . 1 1 7 7 LEU N N 7 125.018 125.018 125.276 -0.258 19427 6746 1 15 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.571 -0.048 19427 6747 1 15 . 1 1 7 7 LEU C C 7 174.994 174.994 175.694 -0.700 19427 6748 1 15 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.900 0.150 19427 6749 1 15 . 1 1 7 7 LEU CB C 7 43.171 43.171 43.131 0.040 19427 6750 1 15 . 1 1 7 7 LEU H H 7 8.620 8.620 9.079 -0.459 19427 6751 1 15 . 1 1 8 8 VAL N N 8 121.522 121.522 124.982 -3.460 19427 6752 1 15 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.472 0.075 19427 6753 1 15 . 1 1 8 8 VAL C C 8 175.042 175.042 175.118 -0.076 19427 6754 1 15 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.780 -0.574 19427 6755 1 15 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.301 2.295 19427 6756 1 15 . 1 1 8 8 VAL H H 8 8.084 8.084 8.674 -0.590 19427 6757 1 15 . 1 1 9 9 LEU N N 9 126.312 126.312 130.279 -3.967 19427 6758 1 15 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.940 0.000 19427 6759 1 15 . 1 1 9 9 LEU C C 9 175.831 175.831 174.904 0.927 19427 6760 1 15 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.386 0.160 19427 6761 1 15 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.130 0.103 19427 6762 1 15 . 1 1 9 9 LEU H H 9 9.137 9.137 9.117 0.020 19427 6763 1 15 . 1 1 10 10 ASP N N 10 123.236 123.236 127.580 -4.344 19427 6764 1 15 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.744 0.104 19427 6765 1 15 . 1 1 10 10 ASP C C 10 176.685 176.685 176.627 0.058 19427 6766 1 15 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.032 -0.439 19427 6767 1 15 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.598 -0.778 19427 6768 1 15 . 1 1 10 10 ASP H H 10 9.002 9.002 8.998 0.004 19427 6769 1 15 . 1 1 11 11 LEU N N 11 124.059 124.059 126.021 -1.962 19427 6770 1 15 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.199 -0.133 19427 6771 1 15 . 1 1 11 11 LEU C C 11 180.169 180.169 178.669 1.500 19427 6772 1 15 . 1 1 11 11 LEU CA C 11 57.013 57.013 56.804 0.209 19427 6773 1 15 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.063 -1.213 19427 6774 1 15 . 1 1 11 11 LEU H H 11 8.273 8.273 8.468 -0.195 19427 6775 1 15 . 1 1 12 12 GLU N N 12 121.967 121.967 120.135 1.832 19427 6776 1 15 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.064 0.110 19427 6777 1 15 . 1 1 12 12 GLU C C 12 179.719 179.719 179.357 0.362 19427 6778 1 15 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.332 0.296 19427 6779 1 15 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.160 0.400 19427 6780 1 15 . 1 1 12 12 GLU H H 12 8.273 8.273 7.852 0.421 19427 6781 1 15 . 1 1 13 13 ARG N N 13 119.595 119.595 119.420 0.175 19427 6782 1 15 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.218 -0.046 19427 6783 1 15 . 1 1 13 13 ARG C C 13 179.909 179.909 178.887 1.022 19427 6784 1 15 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.500 -0.189 19427 6785 1 15 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.876 -0.321 19427 6786 1 15 . 1 1 13 13 ARG H H 13 8.081 8.081 9.176 -1.095 19427 6787 1 15 . 1 1 14 14 LEU N N 14 120.325 120.325 120.031 0.294 19427 6788 1 15 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.114 -0.167 19427 6789 1 15 . 1 1 14 14 LEU C C 14 177.166 177.166 176.928 0.238 19427 6790 1 15 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.404 0.170 19427 6791 1 15 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.700 0.098 19427 6792 1 15 . 1 1 14 14 LEU H H 14 8.205 8.205 7.734 0.470 19427 6793 1 15 . 1 1 15 15 ALA N N 15 117.835 117.835 116.798 1.037 19427 6794 1 15 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.207 -0.082 19427 6795 1 15 . 1 1 15 15 ALA C C 15 178.500 178.500 178.146 0.354 19427 6796 1 15 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.748 0.572 19427 6797 1 15 . 1 1 15 15 ALA CB C 15 18.712 18.712 19.268 -0.556 19427 6798 1 15 . 1 1 15 15 ALA H H 15 7.265 7.265 7.605 -0.340 19427 6799 1 15 . 1 1 16 16 THR N N 16 105.967 105.967 110.194 -4.227 19427 6800 1 15 . 1 1 16 16 THR HA H 16 4.378 4.378 4.253 0.125 19427 6801 1 15 . 1 1 16 16 THR C C 16 174.639 174.639 175.498 -0.859 19427 6802 1 15 . 1 1 16 16 THR CA C 16 61.642 61.642 62.457 -0.815 19427 6803 1 15 . 1 1 16 16 THR CB C 16 69.957 69.957 69.675 0.282 19427 6804 1 15 . 1 1 16 16 THR H H 16 7.530 7.530 7.329 0.201 19427 6805 1 15 . 1 1 17 17 VAL N N 17 126.962 126.962 125.230 1.732 19427 6806 1 15 . 1 1 17 17 VAL HA H 17 3.985 3.985 3.817 0.168 19427 6807 1 15 . 1 1 17 17 VAL CA C 17 60.535 60.535 60.889 -0.354 19427 6808 1 15 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.491 0.897 19427 6809 1 15 . 1 1 17 17 VAL H H 17 7.208 7.208 7.679 -0.471 19427 6810 1 15 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.231 0.037 19427 6811 1 15 . 1 1 18 18 PRO C C 18 178.094 178.094 177.327 0.767 19427 6812 1 15 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.476 0.372 19427 6813 1 15 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.011 0.700 19427 6814 1 15 . 1 1 19 19 ALA N N 19 128.383 128.383 127.435 0.948 19427 6815 1 15 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.934 0.010 19427 6816 1 15 . 1 1 19 19 ALA C C 19 180.008 180.008 179.420 0.588 19427 6817 1 15 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.626 0.691 19427 6818 1 15 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.592 0.322 19427 6819 1 15 . 1 1 19 19 ALA H H 19 8.872 8.872 8.650 0.222 19427 6820 1 15 . 1 1 20 20 GLU N N 20 118.522 118.522 118.233 0.289 19427 6821 1 15 . 1 1 20 20 GLU HA H 20 4.114 4.114 3.987 0.127 19427 6822 1 15 . 1 1 20 20 GLU C C 20 177.573 177.573 177.919 -0.346 19427 6823 1 15 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.924 0.712 19427 6824 1 15 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.290 -0.452 19427 6825 1 15 . 1 1 20 20 GLU H H 20 9.459 9.459 8.822 0.637 19427 6826 1 15 . 1 1 21 21 LYS N N 21 115.147 115.147 116.501 -1.354 19427 6827 1 15 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.345 0.307 19427 6828 1 15 . 1 1 21 21 LYS C C 21 177.045 177.045 177.620 -0.575 19427 6829 1 15 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.321 -0.334 19427 6830 1 15 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.483 0.469 19427 6831 1 15 . 1 1 21 21 LYS H H 21 7.441 7.441 7.605 -0.164 19427 6832 1 15 . 1 1 22 22 ALA N N 22 119.898 119.898 120.378 -0.480 19427 6833 1 15 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.591 -0.447 19427 6834 1 15 . 1 1 22 22 ALA C C 22 177.520 177.520 178.976 -1.456 19427 6835 1 15 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.567 0.614 19427 6836 1 15 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.790 1.441 19427 6837 1 15 . 1 1 22 22 ALA H H 22 8.096 8.096 8.020 0.076 19427 6838 1 15 . 1 1 23 23 GLY N N 23 107.148 107.148 108.780 -1.632 19427 6839 1 15 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.993 1.019 19427 6840 1 15 . 1 1 23 23 GLY H H 23 8.484 8.484 7.931 0.553 19427 6841 1 15 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.361 -0.187 19427 6842 1 15 . 1 1 24 24 PRO C C 24 179.318 179.318 178.062 1.256 19427 6843 1 15 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.292 0.661 19427 6844 1 15 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.407 -0.036 19427 6845 1 15 . 1 1 25 25 LEU N N 25 118.416 118.416 119.494 -1.078 19427 6846 1 15 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.499 -0.143 19427 6847 1 15 . 1 1 25 25 LEU C C 25 177.871 177.871 178.793 -0.922 19427 6848 1 15 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.143 0.792 19427 6849 1 15 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.659 0.691 19427 6850 1 15 . 1 1 25 25 LEU H H 25 7.394 7.394 7.803 -0.409 19427 6851 1 15 . 1 1 26 26 GLN N N 26 119.819 119.819 119.072 0.747 19427 6852 1 15 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.960 -0.066 19427 6853 1 15 . 1 1 26 26 GLN C C 26 179.865 179.865 178.664 1.201 19427 6854 1 15 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.672 0.099 19427 6855 1 15 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.514 -0.960 19427 6856 1 15 . 1 1 26 26 GLN H H 26 8.885 8.885 8.664 0.221 19427 6857 1 15 . 1 1 27 27 ARG N N 27 119.761 119.761 119.993 -0.232 19427 6858 1 15 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.182 -0.041 19427 6859 1 15 . 1 1 27 27 ARG C C 27 178.950 178.950 178.654 0.296 19427 6860 1 15 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.423 1.213 19427 6861 1 15 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.618 0.798 19427 6862 1 15 . 1 1 27 27 ARG H H 27 8.694 8.694 7.775 0.919 19427 6863 1 15 . 1 1 28 28 TYR N N 28 122.540 122.540 122.009 0.531 19427 6864 1 15 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.214 -0.043 19427 6865 1 15 . 1 1 28 28 TYR C C 28 177.843 177.843 177.153 0.690 19427 6866 1 15 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.731 0.547 19427 6867 1 15 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.459 1.254 19427 6868 1 15 . 1 1 28 28 TYR H H 28 8.211 8.211 8.396 -0.185 19427 6869 1 15 . 1 1 29 29 ALA N N 29 120.477 120.477 120.880 -0.403 19427 6870 1 15 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.853 -0.091 19427 6871 1 15 . 1 1 29 29 ALA C C 29 178.739 178.739 179.253 -0.514 19427 6872 1 15 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.115 0.070 19427 6873 1 15 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.975 -0.046 19427 6874 1 15 . 1 1 29 29 ALA H H 29 9.065 9.065 8.513 0.552 19427 6875 1 15 . 1 1 30 30 ALA N N 30 118.596 118.596 121.126 -2.530 19427 6876 1 15 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.919 0.368 19427 6877 1 15 . 1 1 30 30 ALA C C 30 180.895 180.895 179.787 1.108 19427 6878 1 15 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.177 -0.101 19427 6879 1 15 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.219 -0.133 19427 6880 1 15 . 1 1 30 30 ALA H H 30 7.741 7.741 8.370 -0.629 19427 6881 1 15 . 1 1 31 31 THR N N 31 116.024 116.024 117.017 -0.993 19427 6882 1 15 . 1 1 31 31 THR HA H 31 3.995 3.995 3.975 0.020 19427 6883 1 15 . 1 1 31 31 THR C C 31 176.687 176.687 176.630 0.057 19427 6884 1 15 . 1 1 31 31 THR CA C 31 66.452 66.452 67.033 -0.581 19427 6885 1 15 . 1 1 31 31 THR CB C 31 68.867 68.867 68.838 0.028 19427 6886 1 15 . 1 1 31 31 THR H H 31 7.914 7.914 7.966 -0.052 19427 6887 1 15 . 1 1 32 32 ILE N N 32 121.094 121.094 122.040 -0.946 19427 6888 1 15 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.476 0.339 19427 6889 1 15 . 1 1 32 32 ILE C C 32 178.583 178.583 177.598 0.985 19427 6890 1 15 . 1 1 32 32 ILE CA C 32 64.153 64.153 65.196 -1.043 19427 6891 1 15 . 1 1 32 32 ILE CB C 32 36.940 36.940 37.438 -0.498 19427 6892 1 15 . 1 1 32 32 ILE H H 32 7.846 7.846 7.579 0.267 19427 6893 1 15 . 1 1 33 33 GLN N N 33 119.832 119.832 119.135 0.697 19427 6894 1 15 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.962 -0.123 19427 6895 1 15 . 1 1 33 33 GLN C C 33 178.264 178.264 179.048 -0.784 19427 6896 1 15 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.230 0.628 19427 6897 1 15 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.707 0.658 19427 6898 1 15 . 1 1 33 33 GLN H H 33 8.374 8.374 8.672 -0.298 19427 6899 1 15 . 1 1 34 34 SER N N 34 112.726 112.726 114.583 -1.857 19427 6900 1 15 . 1 1 34 34 SER HA H 34 4.333 4.333 4.149 0.184 19427 6901 1 15 . 1 1 34 34 SER C C 34 176.817 176.817 177.254 -0.437 19427 6902 1 15 . 1 1 34 34 SER CA C 34 60.915 60.915 61.658 -0.743 19427 6903 1 15 . 1 1 34 34 SER CB C 34 63.235 63.235 62.821 0.414 19427 6904 1 15 . 1 1 34 34 SER H H 34 7.816 7.816 8.270 -0.454 19427 6905 1 15 . 1 1 35 35 GLN N N 35 120.724 120.724 121.003 -0.279 19427 6906 1 15 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.124 0.070 19427 6907 1 15 . 1 1 35 35 GLN C C 35 177.930 177.930 178.306 -0.376 19427 6908 1 15 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.282 -0.173 19427 6909 1 15 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.761 0.427 19427 6910 1 15 . 1 1 35 35 GLN H H 35 8.034 8.034 7.658 0.376 19427 6911 1 15 . 1 1 36 36 ARG N N 36 116.267 116.267 116.708 -0.441 19427 6912 1 15 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.342 0.056 19427 6913 1 15 . 1 1 36 36 ARG C C 36 177.013 177.013 177.368 -0.355 19427 6914 1 15 . 1 1 36 36 ARG CA C 36 56.424 56.424 55.682 0.742 19427 6915 1 15 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.322 1.096 19427 6916 1 15 . 1 1 36 36 ARG H H 36 8.091 8.091 8.107 -0.016 19427 6917 1 15 . 1 1 37 37 GLY N N 37 109.299 109.299 108.818 0.481 19427 6918 1 15 . 1 1 37 37 GLY C C 37 173.661 173.661 173.911 -0.250 19427 6919 1 15 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.251 1.019 19427 6920 1 15 . 1 1 37 37 GLY H H 37 7.972 7.972 7.979 -0.007 19427 6921 1 15 . 1 1 38 38 ASP N N 38 119.246 119.246 121.591 -2.345 19427 6922 1 15 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.829 -0.114 19427 6923 1 15 . 1 1 38 38 ASP C C 38 175.405 175.405 175.344 0.061 19427 6924 1 15 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.101 0.070 19427 6925 1 15 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.032 -0.392 19427 6926 1 15 . 1 1 38 38 ASP H H 38 7.838 7.838 8.077 -0.239 19427 6927 1 15 . 1 1 39 39 TYR N N 39 121.210 121.210 127.317 -6.107 19427 6928 1 15 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.591 -0.064 19427 6929 1 15 . 1 1 39 39 TYR C C 39 176.937 176.937 175.031 1.906 19427 6930 1 15 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.166 0.962 19427 6931 1 15 . 1 1 39 39 TYR CB C 39 38.588 38.588 37.804 0.784 19427 6932 1 15 . 1 1 39 39 TYR H H 39 8.202 8.202 8.643 -0.441 19427 6933 1 15 . 1 1 40 40 ASN N N 40 120.622 120.622 121.846 -1.224 19427 6934 1 15 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.582 0.037 19427 6935 1 15 . 1 1 40 40 ASN C C 40 175.853 175.853 177.117 -1.264 19427 6936 1 15 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.500 0.883 19427 6937 1 15 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.476 1.030 19427 6938 1 15 . 1 1 40 40 ASN H H 40 8.393 8.393 7.788 0.605 19427 6939 1 15 . 1 1 41 41 GLY N N 41 107.971 107.971 110.046 -2.075 19427 6940 1 15 . 1 1 41 41 GLY C C 41 173.926 173.926 175.111 -1.185 19427 6941 1 15 . 1 1 41 41 GLY CA C 41 45.930 45.930 46.265 -0.335 19427 6942 1 15 . 1 1 41 41 GLY H H 41 8.103 8.103 8.342 -0.239 19427 6943 1 15 . 1 1 42 42 LYS N N 42 119.472 119.472 120.901 -1.429 19427 6944 1 15 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.223 0.266 19427 6945 1 15 . 1 1 42 42 LYS C C 42 176.201 176.201 176.776 -0.575 19427 6946 1 15 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.291 0.417 19427 6947 1 15 . 1 1 42 42 LYS CB C 42 34.345 34.345 32.945 1.400 19427 6948 1 15 . 1 1 42 42 LYS H H 42 8.652 8.652 8.363 0.289 19427 6949 1 15 . 1 1 43 43 VAL N N 43 112.852 112.852 110.450 2.402 19427 6950 1 15 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.248 0.082 19427 6951 1 15 . 1 1 43 43 VAL C C 43 174.906 174.906 173.940 0.966 19427 6952 1 15 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.337 -0.073 19427 6953 1 15 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.648 0.305 19427 6954 1 15 . 1 1 43 43 VAL H H 43 7.840 7.840 7.323 0.517 19427 6955 1 15 . 1 1 44 44 LEU N N 44 123.642 123.642 118.976 4.666 19427 6956 1 15 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.825 -0.036 19427 6957 1 15 . 1 1 44 44 LEU C C 44 175.260 175.260 174.563 0.697 19427 6958 1 15 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.359 -0.483 19427 6959 1 15 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.619 0.879 19427 6960 1 15 . 1 1 44 44 LEU H H 44 8.610 8.610 8.375 0.235 19427 6961 1 15 . 1 1 45 45 SER N N 45 124.267 124.267 121.968 2.299 19427 6962 1 15 . 1 1 45 45 SER HA H 45 5.052 5.052 5.072 -0.020 19427 6963 1 15 . 1 1 45 45 SER C C 45 174.246 174.246 174.054 0.192 19427 6964 1 15 . 1 1 45 45 SER CA C 45 58.852 58.852 57.079 1.773 19427 6965 1 15 . 1 1 45 45 SER CB C 45 63.509 63.509 63.145 0.363 19427 6966 1 15 . 1 1 45 45 SER H H 45 9.111 9.111 8.453 0.658 19427 6967 1 15 . 1 1 46 46 ILE N N 46 118.924 118.924 123.411 -4.487 19427 6968 1 15 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.732 0.048 19427 6969 1 15 . 1 1 46 46 ILE C C 46 174.199 174.199 174.220 -0.021 19427 6970 1 15 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.966 0.636 19427 6971 1 15 . 1 1 46 46 ILE CB C 46 41.595 41.595 41.724 -0.129 19427 6972 1 15 . 1 1 46 46 ILE H H 46 8.542 8.542 9.079 -0.537 19427 6973 1 15 . 1 1 47 47 ARG N N 47 119.572 119.572 120.176 -0.604 19427 6974 1 15 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.696 0.169 19427 6975 1 15 . 1 1 47 47 ARG C C 47 178.511 178.511 178.099 0.412 19427 6976 1 15 . 1 1 47 47 ARG CA C 47 54.508 54.508 55.241 -0.733 19427 6977 1 15 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.601 1.717 19427 6978 1 15 . 1 1 47 47 ARG H H 47 9.488 9.488 9.317 0.171 19427 6979 1 15 . 1 1 48 48 GLN N N 48 122.809 122.809 119.770 3.039 19427 6980 1 15 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.989 -0.171 19427 6981 1 15 . 1 1 48 48 GLN C C 48 178.972 178.972 177.638 1.334 19427 6982 1 15 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.787 0.740 19427 6983 1 15 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.483 -0.199 19427 6984 1 15 . 1 1 48 48 GLN H H 48 9.350 9.350 8.968 0.382 19427 6985 1 15 . 1 1 49 49 ASP N N 49 115.682 115.682 119.091 -3.409 19427 6986 1 15 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.441 -0.081 19427 6987 1 15 . 1 1 49 49 ASP C C 49 178.758 178.758 178.022 0.736 19427 6988 1 15 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.164 0.193 19427 6989 1 15 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.158 0.325 19427 6990 1 15 . 1 1 49 49 ASP H H 49 8.855 8.855 8.487 0.368 19427 6991 1 15 . 1 1 50 50 ASP N N 50 117.926 117.926 120.553 -2.627 19427 6992 1 15 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.385 0.227 19427 6993 1 15 . 1 1 50 50 ASP C C 50 177.865 177.865 178.341 -0.476 19427 6994 1 15 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.427 0.648 19427 6995 1 15 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.695 0.944 19427 6996 1 15 . 1 1 50 50 ASP H H 50 7.519 7.519 8.271 -0.752 19427 6997 1 15 . 1 1 51 51 LEU N N 51 118.893 118.893 120.674 -1.781 19427 6998 1 15 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.931 -0.019 19427 6999 1 15 . 1 1 51 51 LEU C C 51 178.254 178.254 178.695 -0.441 19427 7000 1 15 . 1 1 51 51 LEU CA C 51 58.129 58.129 58.232 -0.103 19427 7001 1 15 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.494 -0.097 19427 7002 1 15 . 1 1 51 51 LEU H H 51 7.444 7.444 7.728 -0.284 19427 7003 1 15 . 1 1 52 52 ARG N N 52 117.366 117.366 117.125 0.241 19427 7004 1 15 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.934 -0.024 19427 7005 1 15 . 1 1 52 52 ARG C C 52 178.886 178.886 178.899 -0.013 19427 7006 1 15 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.654 0.631 19427 7007 1 15 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.015 -0.197 19427 7008 1 15 . 1 1 52 52 ARG H H 52 7.757 7.757 7.623 0.134 19427 7009 1 15 . 1 1 53 53 THR N N 53 118.266 118.266 117.012 1.254 19427 7010 1 15 . 1 1 53 53 THR HA H 53 3.924 3.924 4.061 -0.137 19427 7011 1 15 . 1 1 53 53 THR C C 53 176.626 176.626 176.032 0.594 19427 7012 1 15 . 1 1 53 53 THR CA C 53 67.001 67.001 65.754 1.247 19427 7013 1 15 . 1 1 53 53 THR CB C 53 68.759 68.759 68.534 0.225 19427 7014 1 15 . 1 1 53 53 THR H H 53 7.973 7.973 7.729 0.244 19427 7015 1 15 . 1 1 54 54 LEU N N 54 122.030 122.030 121.602 0.428 19427 7016 1 15 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.384 0.425 19427 7017 1 15 . 1 1 54 54 LEU C C 54 177.755 177.755 178.050 -0.295 19427 7018 1 15 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.912 -0.089 19427 7019 1 15 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.722 2.367 19427 7020 1 15 . 1 1 54 54 LEU H H 54 8.355 8.355 8.196 0.159 19427 7021 1 15 . 1 1 55 55 ALA N N 55 122.634 122.634 120.102 2.532 19427 7022 1 15 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.937 -0.045 19427 7023 1 15 . 1 1 55 55 ALA C C 55 179.192 179.192 179.385 -0.193 19427 7024 1 15 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.077 1.428 19427 7025 1 15 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.890 -0.726 19427 7026 1 15 . 1 1 55 55 ALA H H 55 8.195 8.195 7.565 0.630 19427 7027 1 15 . 1 1 56 56 VAL N N 56 118.079 118.079 118.709 -0.630 19427 7028 1 15 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.596 0.265 19427 7029 1 15 . 1 1 56 56 VAL C C 56 180.389 180.389 178.685 1.704 19427 7030 1 15 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.988 0.599 19427 7031 1 15 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.781 -0.088 19427 7032 1 15 . 1 1 56 56 VAL H H 56 7.402 7.402 7.271 0.131 19427 7033 1 15 . 1 1 57 57 ILE N N 57 122.536 122.536 120.753 1.783 19427 7034 1 15 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.578 0.026 19427 7035 1 15 . 1 1 57 57 ILE C C 57 177.942 177.942 177.280 0.662 19427 7036 1 15 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.847 0.996 19427 7037 1 15 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.721 0.665 19427 7038 1 15 . 1 1 57 57 ILE H H 57 7.893 7.893 7.503 0.390 19427 7039 1 15 . 1 1 58 58 TYR N N 58 117.060 117.060 116.104 0.956 19427 7040 1 15 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.580 -0.449 19427 7041 1 15 . 1 1 58 58 TYR C C 58 174.728 174.728 174.924 -0.196 19427 7042 1 15 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.903 4.861 19427 7043 1 15 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.541 1.486 19427 7044 1 15 . 1 1 58 58 TYR H H 58 8.319 8.319 7.564 0.755 19427 7045 1 15 . 1 1 59 59 ASP N N 59 122.545 122.545 118.437 4.108 19427 7046 1 15 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.219 0.131 19427 7047 1 15 . 1 1 59 59 ASP C C 59 174.853 174.853 175.078 -0.225 19427 7048 1 15 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.565 -0.452 19427 7049 1 15 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.572 0.240 19427 7050 1 15 . 1 1 59 59 ASP H H 59 8.177 8.177 7.698 0.479 19427 7051 1 15 . 1 1 60 60 GLN N N 60 116.007 116.007 117.742 -1.735 19427 7052 1 15 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.718 0.012 19427 7053 1 15 . 1 1 60 60 GLN C C 60 174.853 174.853 174.565 0.288 19427 7054 1 15 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.507 0.006 19427 7055 1 15 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.595 1.789 19427 7056 1 15 . 1 1 60 60 GLN H H 60 8.424 8.424 8.551 -0.127 19427 7057 1 15 . 1 1 61 61 SER N N 61 116.009 116.009 116.069 -0.060 19427 7058 1 15 . 1 1 61 61 SER HA H 61 4.783 4.783 4.849 -0.066 19427 7059 1 15 . 1 1 61 61 SER CA C 61 56.443 56.443 56.208 0.235 19427 7060 1 15 . 1 1 61 61 SER CB C 61 62.811 62.811 63.109 -0.298 19427 7061 1 15 . 1 1 61 61 SER H H 61 8.424 8.424 8.466 -0.042 19427 7062 1 15 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.209 -0.173 19427 7063 1 15 . 1 1 62 62 PRO C C 62 179.161 179.161 178.709 0.452 19427 7064 1 15 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.850 0.646 19427 7065 1 15 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.865 -0.085 19427 7066 1 15 . 1 1 63 63 SER N N 63 114.103 114.103 113.826 0.277 19427 7067 1 15 . 1 1 63 63 SER HA H 63 4.838 4.838 4.116 0.722 19427 7068 1 15 . 1 1 63 63 SER C C 63 176.141 176.141 176.709 -0.568 19427 7069 1 15 . 1 1 63 63 SER CB C 63 62.293 62.293 62.540 -0.247 19427 7070 1 15 . 1 1 63 63 SER H H 63 8.596 8.596 8.358 0.238 19427 7071 1 15 . 1 1 64 64 VAL N N 64 125.461 125.461 122.965 2.496 19427 7072 1 15 . 1 1 64 64 VAL HA H 64 3.561 3.561 4.039 -0.478 19427 7073 1 15 . 1 1 64 64 VAL C C 64 178.754 178.754 177.416 1.338 19427 7074 1 15 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.633 1.798 19427 7075 1 15 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.643 0.374 19427 7076 1 15 . 1 1 64 64 VAL H H 64 7.381 7.381 7.547 -0.166 19427 7077 1 15 . 1 1 65 65 LEU N N 65 121.843 121.843 121.240 0.603 19427 7078 1 15 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.052 -0.153 19427 7079 1 15 . 1 1 65 65 LEU C C 65 178.836 178.836 178.533 0.303 19427 7080 1 15 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.273 -0.961 19427 7081 1 15 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.827 0.428 19427 7082 1 15 . 1 1 65 65 LEU H H 65 8.437 8.437 8.296 0.141 19427 7083 1 15 . 1 1 66 66 THR N N 66 115.794 115.794 115.724 0.070 19427 7084 1 15 . 1 1 66 66 THR HA H 66 3.321 3.321 3.872 -0.551 19427 7085 1 15 . 1 1 66 66 THR C C 66 175.591 175.591 176.690 -1.099 19427 7086 1 15 . 1 1 66 66 THR CA C 66 69.056 69.056 67.080 1.976 19427 7087 1 15 . 1 1 66 66 THR CB C 66 67.992 67.992 68.342 -0.350 19427 7088 1 15 . 1 1 66 66 THR H H 66 8.079 8.079 7.992 0.087 19427 7089 1 15 . 1 1 67 67 GLU N N 67 118.543 118.543 121.846 -3.303 19427 7090 1 15 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.787 0.054 19427 7091 1 15 . 1 1 67 67 GLU C C 67 179.342 179.342 179.206 0.136 19427 7092 1 15 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.892 -0.666 19427 7093 1 15 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.204 -0.283 19427 7094 1 15 . 1 1 67 67 GLU H H 67 7.594 7.594 8.143 -0.549 19427 7095 1 15 . 1 1 68 68 GLN N N 68 120.882 120.882 118.526 2.356 19427 7096 1 15 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.777 -0.077 19427 7097 1 15 . 1 1 68 68 GLN C C 68 177.403 177.403 177.955 -0.552 19427 7098 1 15 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.267 0.127 19427 7099 1 15 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.030 0.344 19427 7100 1 15 . 1 1 68 68 GLN H H 68 7.847 7.847 8.230 -0.383 19427 7101 1 15 . 1 1 69 69 LEU N N 69 118.421 118.421 119.135 -0.714 19427 7102 1 15 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.367 0.106 19427 7103 1 15 . 1 1 69 69 LEU C C 69 180.177 180.177 179.351 0.826 19427 7104 1 15 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.263 1.150 19427 7105 1 15 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.441 -0.469 19427 7106 1 15 . 1 1 69 69 LEU H H 69 7.986 7.986 7.267 0.719 19427 7107 1 15 . 1 1 70 70 ILE N N 70 121.346 121.346 119.961 1.385 19427 7108 1 15 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.948 0.212 19427 7109 1 15 . 1 1 70 70 ILE C C 70 180.910 180.910 178.307 2.603 19427 7110 1 15 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.596 0.454 19427 7111 1 15 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.950 0.395 19427 7112 1 15 . 1 1 70 70 ILE H H 70 8.262 8.262 8.220 0.042 19427 7113 1 15 . 1 1 71 71 SER N N 71 120.236 120.236 115.767 4.469 19427 7114 1 15 . 1 1 71 71 SER HA H 71 4.273 4.273 4.248 0.025 19427 7115 1 15 . 1 1 71 71 SER C C 71 177.045 177.045 175.986 1.059 19427 7116 1 15 . 1 1 71 71 SER CA C 71 62.544 62.544 61.480 1.064 19427 7117 1 15 . 1 1 71 71 SER CB C 71 62.839 62.839 63.029 -0.190 19427 7118 1 15 . 1 1 71 71 SER H H 71 8.388 8.388 7.991 0.397 19427 7119 1 15 . 1 1 72 72 TRP N N 72 119.364 119.364 118.809 0.555 19427 7120 1 15 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.712 0.214 19427 7121 1 15 . 1 1 72 72 TRP C C 72 176.839 176.839 177.106 -0.267 19427 7122 1 15 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.930 -0.166 19427 7123 1 15 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.413 1.851 19427 7124 1 15 . 1 1 72 72 TRP H H 72 8.066 8.066 8.086 -0.020 19427 7125 1 15 . 1 1 73 73 GLY N N 73 106.514 106.514 105.448 1.066 19427 7126 1 15 . 1 1 73 73 GLY C C 73 174.697 174.697 175.265 -0.568 19427 7127 1 15 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.944 -0.541 19427 7128 1 15 . 1 1 73 73 GLY H H 73 8.242 8.242 7.438 0.804 19427 7129 1 15 . 1 1 74 74 VAL N N 74 114.793 114.793 112.183 2.610 19427 7130 1 15 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.137 0.060 19427 7131 1 15 . 1 1 74 74 VAL C C 74 174.015 174.015 174.749 -0.734 19427 7132 1 15 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.131 -0.018 19427 7133 1 15 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.693 0.156 19427 7134 1 15 . 1 1 74 74 VAL H H 74 7.834 7.834 7.733 0.101 19427 7135 1 15 . 1 1 75 75 LEU N N 75 118.357 118.357 120.164 -1.807 19427 7136 1 15 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.874 0.037 19427 7137 1 15 . 1 1 75 75 LEU C C 75 175.022 175.022 175.102 -0.080 19427 7138 1 15 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.947 -0.315 19427 7139 1 15 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.572 1.586 19427 7140 1 15 . 1 1 75 75 LEU H H 75 6.898 6.898 7.565 -0.667 19427 7141 1 15 . 1 1 76 76 ASP N N 76 122.400 122.400 124.489 -2.089 19427 7142 1 15 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.679 -0.076 19427 7143 1 15 . 1 1 76 76 ASP C C 76 176.384 176.384 177.029 -0.645 19427 7144 1 15 . 1 1 76 76 ASP CA C 76 54.383 54.383 53.897 0.486 19427 7145 1 15 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.546 -0.319 19427 7146 1 15 . 1 1 76 76 ASP H H 76 8.412 8.412 8.846 -0.434 19427 7147 1 15 . 1 1 77 77 ALA N N 77 123.828 123.828 126.626 -2.798 19427 7148 1 15 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.022 0.032 19427 7149 1 15 . 1 1 77 77 ALA C C 77 179.068 179.068 179.028 0.040 19427 7150 1 15 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.632 0.099 19427 7151 1 15 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.806 -0.057 19427 7152 1 15 . 1 1 77 77 ALA H H 77 8.601 8.601 8.630 -0.029 19427 7153 1 15 . 1 1 78 78 ASP N N 78 118.882 118.882 117.855 1.027 19427 7154 1 15 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.295 0.218 19427 7155 1 15 . 1 1 78 78 ASP C C 78 174.868 174.868 177.679 -2.811 19427 7156 1 15 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.862 -0.584 19427 7157 1 15 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.338 0.570 19427 7158 1 15 . 1 1 78 78 ASP H H 78 8.791 8.791 8.980 -0.189 19427 7159 1 15 . 1 1 79 79 ALA N N 79 121.027 121.027 122.856 -1.829 19427 7160 1 15 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.013 -0.012 19427 7161 1 15 . 1 1 79 79 ALA C C 79 178.803 178.803 179.423 -0.620 19427 7162 1 15 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.797 -0.407 19427 7163 1 15 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.485 1.435 19427 7164 1 15 . 1 1 79 79 ALA H H 79 8.287 8.287 7.687 0.600 19427 7165 1 15 . 1 1 80 80 ARG N N 80 115.805 115.805 117.621 -1.816 19427 7166 1 15 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.031 -0.107 19427 7167 1 15 . 1 1 80 80 ARG C C 80 178.254 178.254 177.936 0.318 19427 7168 1 15 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.901 0.328 19427 7169 1 15 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.629 0.628 19427 7170 1 15 . 1 1 80 80 ARG H H 80 7.689 7.689 8.349 -0.660 19427 7171 1 15 . 1 1 81 81 ARG N N 81 117.554 117.554 120.623 -3.069 19427 7172 1 15 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.231 -0.025 19427 7173 1 15 . 1 1 81 81 ARG C C 81 177.214 177.214 178.085 -0.871 19427 7174 1 15 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.252 -0.559 19427 7175 1 15 . 1 1 81 81 ARG CB C 81 30.242 30.242 30.274 -0.032 19427 7176 1 15 . 1 1 81 81 ARG H H 81 7.782 7.782 7.625 0.157 19427 7177 1 15 . 1 1 82 82 ALA N N 82 121.590 121.590 122.103 -0.513 19427 7178 1 15 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.076 0.203 19427 7179 1 15 . 1 1 82 82 ALA C C 82 177.798 177.798 179.252 -1.454 19427 7180 1 15 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.736 -1.481 19427 7181 1 15 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.071 0.492 19427 7182 1 15 . 1 1 82 82 ALA H H 82 7.875 7.875 7.690 0.185 19427 7183 1 15 . 1 1 83 83 VAL N N 83 114.483 114.483 115.985 -1.502 19427 7184 1 15 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.031 0.110 19427 7185 1 15 . 1 1 83 83 VAL C C 83 175.572 175.572 175.201 0.371 19427 7186 1 15 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.613 -0.572 19427 7187 1 15 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.244 0.537 19427 7188 1 15 . 1 1 83 83 VAL H H 83 7.503 7.503 7.984 -0.481 19427 7189 1 15 . 1 1 84 84 ALA N N 84 125.870 125.870 120.851 5.019 19427 7190 1 15 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.190 0.131 19427 7191 1 15 . 1 1 84 84 ALA C C 84 177.696 177.696 176.578 1.118 19427 7192 1 15 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.726 0.045 19427 7193 1 15 . 1 1 84 84 ALA CB C 84 19.512 19.512 16.845 2.667 19427 7194 1 15 . 1 1 84 84 ALA H H 84 7.876 7.876 7.601 0.275 19427 7195 1 15 . 1 1 85 85 SER N N 85 114.965 114.965 114.625 0.340 19427 7196 1 15 . 1 1 85 85 SER HA H 85 4.396 4.396 4.752 -0.356 19427 7197 1 15 . 1 1 85 85 SER CA C 85 58.393 58.393 56.990 1.403 19427 7198 1 15 . 1 1 85 85 SER CB C 85 63.915 63.915 65.785 -1.870 19427 7199 1 15 . 1 1 85 85 SER H H 85 8.521 8.521 8.048 0.473 19427 7200 1 15 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.636 0.030 19427 7201 1 15 . 1 1 86 86 HIS C C 86 174.868 174.868 174.543 0.325 19427 7202 1 15 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.118 0.203 19427 7203 1 15 . 1 1 86 86 HIS CB C 86 30.312 30.312 31.814 -1.502 19427 7204 1 15 . 1 1 87 87 ASP N N 87 121.205 121.205 123.202 -1.997 19427 7205 1 15 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.649 -0.046 19427 7206 1 15 . 1 1 87 87 ASP C C 87 175.917 175.917 174.905 1.012 19427 7207 1 15 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.291 0.286 19427 7208 1 15 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.823 0.433 19427 7209 1 15 . 1 1 87 87 ASP H H 87 8.326 8.326 8.127 0.199 19427 7210 1 15 . 1 1 88 88 GLU N N 88 121.167 121.167 122.454 -1.287 19427 7211 1 15 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.543 -0.226 19427 7212 1 15 . 1 1 88 88 GLU C C 88 175.455 175.455 174.621 0.834 19427 7213 1 15 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.105 0.267 19427 7214 1 15 . 1 1 88 88 GLU CB C 88 30.373 30.373 31.136 -0.763 19427 7215 1 15 . 1 1 88 88 GLU H H 88 8.352 8.352 9.180 -0.828 19427 7216 1 16 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.585 -0.184 19427 7217 1 16 . 1 1 5 5 PRO C C 5 176.334 176.334 175.745 0.589 19427 7218 1 16 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.283 0.500 19427 7219 1 16 . 1 1 5 5 PRO CB C 5 32.354 32.354 33.072 -0.718 19427 7220 1 16 . 1 1 6 6 LYS N N 6 121.980 121.980 123.785 -1.805 19427 7221 1 16 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.864 -0.490 19427 7222 1 16 . 1 1 6 6 LYS C C 6 175.715 175.715 175.924 -0.209 19427 7223 1 16 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.039 1.133 19427 7224 1 16 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.307 -0.037 19427 7225 1 16 . 1 1 6 6 LYS H H 6 8.546 8.546 8.339 0.207 19427 7226 1 16 . 1 1 7 7 LEU N N 7 125.018 125.018 127.761 -2.743 19427 7227 1 16 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.281 0.242 19427 7228 1 16 . 1 1 7 7 LEU C C 7 174.994 174.994 175.824 -0.830 19427 7229 1 16 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.940 -0.889 19427 7230 1 16 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.857 1.314 19427 7231 1 16 . 1 1 7 7 LEU H H 7 8.620 8.620 9.120 -0.500 19427 7232 1 16 . 1 1 8 8 VAL N N 8 121.522 121.522 125.978 -4.456 19427 7233 1 16 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.731 -0.184 19427 7234 1 16 . 1 1 8 8 VAL C C 8 175.042 175.042 175.443 -0.401 19427 7235 1 16 . 1 1 8 8 VAL CA C 8 61.206 61.206 62.214 -1.008 19427 7236 1 16 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.245 2.351 19427 7237 1 16 . 1 1 8 8 VAL H H 8 8.084 8.084 8.451 -0.367 19427 7238 1 16 . 1 1 9 9 LEU N N 9 126.312 126.312 128.478 -2.166 19427 7239 1 16 . 1 1 9 9 LEU HA H 9 4.940 4.940 5.178 -0.238 19427 7240 1 16 . 1 1 9 9 LEU C C 9 175.831 175.831 175.771 0.060 19427 7241 1 16 . 1 1 9 9 LEU CA C 9 53.546 53.546 52.964 0.582 19427 7242 1 16 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.932 0.301 19427 7243 1 16 . 1 1 9 9 LEU H H 9 9.137 9.137 9.126 0.011 19427 7244 1 16 . 1 1 10 10 ASP N N 10 123.236 123.236 123.892 -0.656 19427 7245 1 16 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.871 -0.023 19427 7246 1 16 . 1 1 10 10 ASP C C 10 176.685 176.685 176.927 -0.242 19427 7247 1 16 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.134 -0.541 19427 7248 1 16 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.951 -1.131 19427 7249 1 16 . 1 1 10 10 ASP H H 10 9.002 9.002 8.489 0.513 19427 7250 1 16 . 1 1 11 11 LEU N N 11 124.059 124.059 125.753 -1.694 19427 7251 1 16 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.165 -0.099 19427 7252 1 16 . 1 1 11 11 LEU C C 11 180.169 180.169 178.444 1.725 19427 7253 1 16 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.158 -0.145 19427 7254 1 16 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.169 -1.319 19427 7255 1 16 . 1 1 11 11 LEU H H 11 8.273 8.273 8.897 -0.624 19427 7256 1 16 . 1 1 12 12 GLU N N 12 121.967 121.967 119.487 2.480 19427 7257 1 16 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.079 0.095 19427 7258 1 16 . 1 1 12 12 GLU C C 12 179.719 179.719 178.738 0.981 19427 7259 1 16 . 1 1 12 12 GLU CA C 12 59.628 59.628 58.737 0.891 19427 7260 1 16 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.213 0.347 19427 7261 1 16 . 1 1 12 12 GLU H H 12 8.273 8.273 8.227 0.046 19427 7262 1 16 . 1 1 13 13 ARG N N 13 119.595 119.595 120.687 -1.092 19427 7263 1 16 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.170 0.002 19427 7264 1 16 . 1 1 13 13 ARG C C 13 179.909 179.909 179.070 0.839 19427 7265 1 16 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.105 -0.794 19427 7266 1 16 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.949 -0.394 19427 7267 1 16 . 1 1 13 13 ARG H H 13 8.081 8.081 9.310 -1.230 19427 7268 1 16 . 1 1 14 14 LEU N N 14 120.325 120.325 120.721 -0.396 19427 7269 1 16 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.040 -0.093 19427 7270 1 16 . 1 1 14 14 LEU C C 14 177.166 177.166 178.411 -1.245 19427 7271 1 16 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.920 -0.346 19427 7272 1 16 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.680 0.118 19427 7273 1 16 . 1 1 14 14 LEU H H 14 8.205 8.205 7.756 0.449 19427 7274 1 16 . 1 1 15 15 ALA N N 15 117.835 117.835 118.272 -0.437 19427 7275 1 16 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.177 -0.052 19427 7276 1 16 . 1 1 15 15 ALA C C 15 178.500 178.500 178.131 0.369 19427 7277 1 16 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.169 0.151 19427 7278 1 16 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.837 -0.125 19427 7279 1 16 . 1 1 15 15 ALA H H 15 7.265 7.265 7.481 -0.216 19427 7280 1 16 . 1 1 16 16 THR N N 16 105.967 105.967 110.010 -4.043 19427 7281 1 16 . 1 1 16 16 THR HA H 16 4.378 4.378 4.303 0.075 19427 7282 1 16 . 1 1 16 16 THR C C 16 174.639 174.639 174.495 0.144 19427 7283 1 16 . 1 1 16 16 THR CA C 16 61.642 61.642 61.682 -0.040 19427 7284 1 16 . 1 1 16 16 THR CB C 16 69.957 69.957 68.871 1.086 19427 7285 1 16 . 1 1 16 16 THR H H 16 7.530 7.530 7.518 0.012 19427 7286 1 16 . 1 1 17 17 VAL N N 17 126.962 126.962 124.773 2.189 19427 7287 1 16 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.135 -0.150 19427 7288 1 16 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.247 1.288 19427 7289 1 16 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.869 0.519 19427 7290 1 16 . 1 1 17 17 VAL H H 17 7.208 7.208 7.232 -0.024 19427 7291 1 16 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.202 0.066 19427 7292 1 16 . 1 1 18 18 PRO C C 18 178.094 178.094 177.355 0.739 19427 7293 1 16 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.388 0.460 19427 7294 1 16 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.343 0.368 19427 7295 1 16 . 1 1 19 19 ALA N N 19 128.383 128.383 128.679 -0.296 19427 7296 1 16 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.941 0.003 19427 7297 1 16 . 1 1 19 19 ALA C C 19 180.008 180.008 179.478 0.530 19427 7298 1 16 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.675 0.643 19427 7299 1 16 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.608 0.305 19427 7300 1 16 . 1 1 19 19 ALA H H 19 8.872 8.872 8.613 0.259 19427 7301 1 16 . 1 1 20 20 GLU N N 20 118.522 118.522 117.579 0.943 19427 7302 1 16 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.089 0.025 19427 7303 1 16 . 1 1 20 20 GLU C C 20 177.573 177.573 177.904 -0.331 19427 7304 1 16 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.619 1.017 19427 7305 1 16 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.066 -0.228 19427 7306 1 16 . 1 1 20 20 GLU H H 20 9.459 9.459 8.778 0.681 19427 7307 1 16 . 1 1 21 21 LYS N N 21 115.147 115.147 118.026 -2.879 19427 7308 1 16 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.228 0.424 19427 7309 1 16 . 1 1 21 21 LYS C C 21 177.045 177.045 177.671 -0.626 19427 7310 1 16 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.781 -0.794 19427 7311 1 16 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.532 0.420 19427 7312 1 16 . 1 1 21 21 LYS H H 21 7.441 7.441 7.669 -0.228 19427 7313 1 16 . 1 1 22 22 ALA N N 22 119.898 119.898 119.372 0.526 19427 7314 1 16 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.417 -0.273 19427 7315 1 16 . 1 1 22 22 ALA C C 22 177.520 177.520 178.406 -0.886 19427 7316 1 16 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.130 1.051 19427 7317 1 16 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.761 1.470 19427 7318 1 16 . 1 1 22 22 ALA H H 22 8.096 8.096 8.258 -0.162 19427 7319 1 16 . 1 1 23 23 GLY N N 23 107.148 107.148 108.874 -1.726 19427 7320 1 16 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.983 1.029 19427 7321 1 16 . 1 1 23 23 GLY H H 23 8.484 8.484 7.771 0.713 19427 7322 1 16 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.333 -0.159 19427 7323 1 16 . 1 1 24 24 PRO C C 24 179.318 179.318 178.096 1.222 19427 7324 1 16 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.483 0.471 19427 7325 1 16 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.473 -0.102 19427 7326 1 16 . 1 1 25 25 LEU N N 25 118.416 118.416 118.299 0.117 19427 7327 1 16 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.325 0.031 19427 7328 1 16 . 1 1 25 25 LEU C C 25 177.871 177.871 178.733 -0.862 19427 7329 1 16 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.246 0.689 19427 7330 1 16 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.633 0.717 19427 7331 1 16 . 1 1 25 25 LEU H H 25 7.394 7.394 7.879 -0.485 19427 7332 1 16 . 1 1 26 26 GLN N N 26 119.819 119.819 118.913 0.906 19427 7333 1 16 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.973 -0.079 19427 7334 1 16 . 1 1 26 26 GLN C C 26 179.865 179.865 178.895 0.970 19427 7335 1 16 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.078 0.693 19427 7336 1 16 . 1 1 26 26 GLN CB C 26 27.554 27.554 27.876 -0.322 19427 7337 1 16 . 1 1 26 26 GLN H H 26 8.885 8.885 8.547 0.338 19427 7338 1 16 . 1 1 27 27 ARG N N 27 119.761 119.761 119.744 0.017 19427 7339 1 16 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.033 0.108 19427 7340 1 16 . 1 1 27 27 ARG C C 27 178.950 178.950 179.003 -0.053 19427 7341 1 16 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.873 -0.237 19427 7342 1 16 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.229 0.187 19427 7343 1 16 . 1 1 27 27 ARG H H 27 8.694 8.694 7.563 1.131 19427 7344 1 16 . 1 1 28 28 TYR N N 28 122.540 122.540 121.613 0.927 19427 7345 1 16 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.055 0.116 19427 7346 1 16 . 1 1 28 28 TYR C C 28 177.843 177.843 177.189 0.654 19427 7347 1 16 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.622 0.656 19427 7348 1 16 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.347 1.366 19427 7349 1 16 . 1 1 28 28 TYR H H 28 8.211 8.211 8.366 -0.155 19427 7350 1 16 . 1 1 29 29 ALA N N 29 120.477 120.477 120.721 -0.244 19427 7351 1 16 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.831 -0.069 19427 7352 1 16 . 1 1 29 29 ALA C C 29 178.739 178.739 178.918 -0.179 19427 7353 1 16 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.116 0.069 19427 7354 1 16 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.234 -0.305 19427 7355 1 16 . 1 1 29 29 ALA H H 29 9.065 9.065 8.744 0.321 19427 7356 1 16 . 1 1 30 30 ALA N N 30 118.596 118.596 120.989 -2.393 19427 7357 1 16 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.400 -0.113 19427 7358 1 16 . 1 1 30 30 ALA C C 30 180.895 180.895 179.574 1.321 19427 7359 1 16 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.702 0.374 19427 7360 1 16 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.422 -0.336 19427 7361 1 16 . 1 1 30 30 ALA H H 30 7.741 7.741 8.331 -0.590 19427 7362 1 16 . 1 1 31 31 THR N N 31 116.024 116.024 116.830 -0.806 19427 7363 1 16 . 1 1 31 31 THR HA H 31 3.995 3.995 3.977 0.018 19427 7364 1 16 . 1 1 31 31 THR C C 31 176.687 176.687 176.444 0.243 19427 7365 1 16 . 1 1 31 31 THR CA C 31 66.452 66.452 67.661 -1.209 19427 7366 1 16 . 1 1 31 31 THR CB C 31 68.867 68.867 68.455 0.412 19427 7367 1 16 . 1 1 31 31 THR H H 31 7.914 7.914 8.048 -0.134 19427 7368 1 16 . 1 1 32 32 ILE N N 32 121.094 121.094 122.318 -1.224 19427 7369 1 16 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.562 0.253 19427 7370 1 16 . 1 1 32 32 ILE C C 32 178.583 178.583 178.270 0.313 19427 7371 1 16 . 1 1 32 32 ILE CA C 32 64.153 64.153 65.465 -1.312 19427 7372 1 16 . 1 1 32 32 ILE CB C 32 36.940 36.940 37.398 -0.458 19427 7373 1 16 . 1 1 32 32 ILE H H 32 7.846 7.846 7.980 -0.134 19427 7374 1 16 . 1 1 33 33 GLN N N 33 119.832 119.832 118.221 1.611 19427 7375 1 16 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.105 -0.266 19427 7376 1 16 . 1 1 33 33 GLN C C 33 178.264 178.264 178.790 -0.526 19427 7377 1 16 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.155 0.703 19427 7378 1 16 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.596 0.769 19427 7379 1 16 . 1 1 33 33 GLN H H 33 8.374 8.374 8.057 0.317 19427 7380 1 16 . 1 1 34 34 SER N N 34 112.726 112.726 115.180 -2.454 19427 7381 1 16 . 1 1 34 34 SER HA H 34 4.333 4.333 4.099 0.234 19427 7382 1 16 . 1 1 34 34 SER C C 34 176.817 176.817 177.508 -0.691 19427 7383 1 16 . 1 1 34 34 SER CA C 34 60.915 60.915 61.665 -0.750 19427 7384 1 16 . 1 1 34 34 SER CB C 34 63.235 63.235 62.991 0.244 19427 7385 1 16 . 1 1 34 34 SER H H 34 7.816 7.816 8.209 -0.393 19427 7386 1 16 . 1 1 35 35 GLN N N 35 120.724 120.724 120.251 0.473 19427 7387 1 16 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.147 0.047 19427 7388 1 16 . 1 1 35 35 GLN C C 35 177.930 177.930 177.577 0.353 19427 7389 1 16 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.351 -0.242 19427 7390 1 16 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.842 0.346 19427 7391 1 16 . 1 1 35 35 GLN H H 35 8.034 8.034 8.298 -0.264 19427 7392 1 16 . 1 1 36 36 ARG N N 36 116.267 116.267 116.780 -0.513 19427 7393 1 16 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.393 0.005 19427 7394 1 16 . 1 1 36 36 ARG C C 36 177.013 177.013 176.262 0.751 19427 7395 1 16 . 1 1 36 36 ARG CA C 36 56.424 56.424 55.722 0.702 19427 7396 1 16 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.527 0.891 19427 7397 1 16 . 1 1 36 36 ARG H H 36 8.091 8.091 7.586 0.505 19427 7398 1 16 . 1 1 37 37 GLY N N 37 109.299 109.299 106.513 2.786 19427 7399 1 16 . 1 1 37 37 GLY C C 37 173.661 173.661 174.058 -0.397 19427 7400 1 16 . 1 1 37 37 GLY CA C 37 46.270 46.270 44.700 1.570 19427 7401 1 16 . 1 1 37 37 GLY H H 37 7.972 7.972 7.463 0.509 19427 7402 1 16 . 1 1 38 38 ASP N N 38 119.246 119.246 118.164 1.082 19427 7403 1 16 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.257 0.458 19427 7404 1 16 . 1 1 38 38 ASP C C 38 175.405 175.405 174.105 1.300 19427 7405 1 16 . 1 1 38 38 ASP CA C 38 53.171 53.171 54.661 -1.490 19427 7406 1 16 . 1 1 38 38 ASP CB C 38 41.640 41.640 41.000 0.640 19427 7407 1 16 . 1 1 38 38 ASP H H 38 7.838 7.838 7.891 -0.053 19427 7408 1 16 . 1 1 39 39 TYR N N 39 121.210 121.210 121.150 0.060 19427 7409 1 16 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.532 -0.005 19427 7410 1 16 . 1 1 39 39 TYR C C 39 176.937 176.937 174.723 2.214 19427 7411 1 16 . 1 1 39 39 TYR CA C 39 58.128 58.128 56.742 1.386 19427 7412 1 16 . 1 1 39 39 TYR CB C 39 38.588 38.588 40.746 -2.158 19427 7413 1 16 . 1 1 39 39 TYR H H 39 8.202 8.202 7.947 0.255 19427 7414 1 16 . 1 1 40 40 ASN N N 40 120.622 120.622 119.166 1.456 19427 7415 1 16 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.720 -0.101 19427 7416 1 16 . 1 1 40 40 ASN C C 40 175.853 175.853 176.234 -0.381 19427 7417 1 16 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.594 0.789 19427 7418 1 16 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.562 0.944 19427 7419 1 16 . 1 1 40 40 ASN H H 40 8.393 8.393 8.886 -0.493 19427 7420 1 16 . 1 1 41 41 GLY N N 41 107.971 107.971 109.510 -1.539 19427 7421 1 16 . 1 1 41 41 GLY C C 41 173.926 173.926 173.854 0.072 19427 7422 1 16 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.743 0.187 19427 7423 1 16 . 1 1 41 41 GLY H H 41 8.103 8.103 8.702 -0.599 19427 7424 1 16 . 1 1 42 42 LYS N N 42 119.472 119.472 117.894 1.578 19427 7425 1 16 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.367 0.122 19427 7426 1 16 . 1 1 42 42 LYS C C 42 176.201 176.201 175.530 0.671 19427 7427 1 16 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.514 0.195 19427 7428 1 16 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.001 0.344 19427 7429 1 16 . 1 1 42 42 LYS H H 42 8.652 8.652 7.386 1.266 19427 7430 1 16 . 1 1 43 43 VAL N N 43 112.852 112.852 113.077 -0.225 19427 7431 1 16 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.167 0.163 19427 7432 1 16 . 1 1 43 43 VAL C C 43 174.906 174.906 173.776 1.130 19427 7433 1 16 . 1 1 43 43 VAL CA C 43 59.264 59.264 60.282 -1.018 19427 7434 1 16 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.270 0.683 19427 7435 1 16 . 1 1 43 43 VAL H H 43 7.840 7.840 7.359 0.481 19427 7436 1 16 . 1 1 44 44 LEU N N 44 123.642 123.642 122.747 0.895 19427 7437 1 16 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.785 0.004 19427 7438 1 16 . 1 1 44 44 LEU C C 44 175.260 175.260 174.508 0.752 19427 7439 1 16 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.440 0.436 19427 7440 1 16 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.600 0.898 19427 7441 1 16 . 1 1 44 44 LEU H H 44 8.610 8.610 9.048 -0.438 19427 7442 1 16 . 1 1 45 45 SER N N 45 124.267 124.267 118.192 6.075 19427 7443 1 16 . 1 1 45 45 SER HA H 45 5.052 5.052 5.623 -0.571 19427 7444 1 16 . 1 1 45 45 SER C C 45 174.246 174.246 173.633 0.613 19427 7445 1 16 . 1 1 45 45 SER CA C 45 58.852 58.852 56.834 2.018 19427 7446 1 16 . 1 1 45 45 SER CB C 45 63.509 63.509 64.688 -1.179 19427 7447 1 16 . 1 1 45 45 SER H H 45 9.111 9.111 8.147 0.964 19427 7448 1 16 . 1 1 46 46 ILE N N 46 118.924 118.924 120.080 -1.156 19427 7449 1 16 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.698 0.082 19427 7450 1 16 . 1 1 46 46 ILE C C 46 174.199 174.199 174.075 0.124 19427 7451 1 16 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.985 0.617 19427 7452 1 16 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.510 1.085 19427 7453 1 16 . 1 1 46 46 ILE H H 46 8.542 8.542 8.773 -0.231 19427 7454 1 16 . 1 1 47 47 ARG N N 47 119.572 119.572 119.545 0.027 19427 7455 1 16 . 1 1 47 47 ARG HA H 47 4.865 4.865 5.010 -0.145 19427 7456 1 16 . 1 1 47 47 ARG C C 47 178.511 178.511 178.177 0.334 19427 7457 1 16 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.357 0.151 19427 7458 1 16 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.280 2.038 19427 7459 1 16 . 1 1 47 47 ARG H H 47 9.488 9.488 8.510 0.978 19427 7460 1 16 . 1 1 48 48 GLN N N 48 122.809 122.809 122.098 0.711 19427 7461 1 16 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.920 -0.102 19427 7462 1 16 . 1 1 48 48 GLN C C 48 178.972 178.972 176.786 2.186 19427 7463 1 16 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.907 0.620 19427 7464 1 16 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.192 0.092 19427 7465 1 16 . 1 1 48 48 GLN H H 48 9.350 9.350 9.040 0.310 19427 7466 1 16 . 1 1 49 49 ASP N N 49 115.682 115.682 115.675 0.007 19427 7467 1 16 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.396 -0.036 19427 7468 1 16 . 1 1 49 49 ASP C C 49 178.758 178.758 176.263 2.495 19427 7469 1 16 . 1 1 49 49 ASP CA C 49 57.357 57.357 55.280 2.077 19427 7470 1 16 . 1 1 49 49 ASP CB C 49 40.483 40.483 39.867 0.616 19427 7471 1 16 . 1 1 49 49 ASP H H 49 8.855 8.855 8.262 0.593 19427 7472 1 16 . 1 1 50 50 ASP N N 50 117.926 117.926 121.198 -3.272 19427 7473 1 16 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.493 0.119 19427 7474 1 16 . 1 1 50 50 ASP C C 50 177.865 177.865 178.693 -0.828 19427 7475 1 16 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.537 1.538 19427 7476 1 16 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.741 -0.102 19427 7477 1 16 . 1 1 50 50 ASP H H 50 7.519 7.519 7.585 -0.066 19427 7478 1 16 . 1 1 51 51 LEU N N 51 118.893 118.893 121.780 -2.887 19427 7479 1 16 . 1 1 51 51 LEU HA H 51 3.912 3.912 4.152 -0.240 19427 7480 1 16 . 1 1 51 51 LEU C C 51 178.254 178.254 178.628 -0.374 19427 7481 1 16 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.187 0.942 19427 7482 1 16 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.134 -0.737 19427 7483 1 16 . 1 1 51 51 LEU H H 51 7.444 7.444 7.905 -0.461 19427 7484 1 16 . 1 1 52 52 ARG N N 52 117.366 117.366 118.781 -1.415 19427 7485 1 16 . 1 1 52 52 ARG HA H 52 3.910 3.910 4.038 -0.128 19427 7486 1 16 . 1 1 52 52 ARG C C 52 178.886 178.886 177.942 0.944 19427 7487 1 16 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.016 1.269 19427 7488 1 16 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.916 -0.098 19427 7489 1 16 . 1 1 52 52 ARG H H 52 7.757 7.757 7.657 0.100 19427 7490 1 16 . 1 1 53 53 THR N N 53 118.266 118.266 117.095 1.171 19427 7491 1 16 . 1 1 53 53 THR HA H 53 3.924 3.924 3.952 -0.028 19427 7492 1 16 . 1 1 53 53 THR C C 53 176.626 176.626 176.042 0.584 19427 7493 1 16 . 1 1 53 53 THR CA C 53 67.001 67.001 65.983 1.018 19427 7494 1 16 . 1 1 53 53 THR CB C 53 68.759 68.759 68.553 0.206 19427 7495 1 16 . 1 1 53 53 THR H H 53 7.973 7.973 7.674 0.299 19427 7496 1 16 . 1 1 54 54 LEU N N 54 122.030 122.030 120.416 1.614 19427 7497 1 16 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.460 0.349 19427 7498 1 16 . 1 1 54 54 LEU C C 54 177.755 177.755 177.759 -0.004 19427 7499 1 16 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.668 0.155 19427 7500 1 16 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.769 2.320 19427 7501 1 16 . 1 1 54 54 LEU H H 54 8.355 8.355 7.401 0.954 19427 7502 1 16 . 1 1 55 55 ALA N N 55 122.634 122.634 120.580 2.054 19427 7503 1 16 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.987 -0.095 19427 7504 1 16 . 1 1 55 55 ALA C C 55 179.192 179.192 179.013 0.179 19427 7505 1 16 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.053 1.452 19427 7506 1 16 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.977 -0.813 19427 7507 1 16 . 1 1 55 55 ALA H H 55 8.195 8.195 7.550 0.645 19427 7508 1 16 . 1 1 56 56 VAL N N 56 118.079 118.079 117.827 0.252 19427 7509 1 16 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.781 0.080 19427 7510 1 16 . 1 1 56 56 VAL C C 56 180.389 180.389 177.591 2.798 19427 7511 1 16 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.452 1.135 19427 7512 1 16 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.494 0.199 19427 7513 1 16 . 1 1 56 56 VAL H H 56 7.402 7.402 7.247 0.155 19427 7514 1 16 . 1 1 57 57 ILE N N 57 122.536 122.536 118.991 3.545 19427 7515 1 16 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.621 -0.017 19427 7516 1 16 . 1 1 57 57 ILE C C 57 177.942 177.942 177.772 0.170 19427 7517 1 16 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.539 1.304 19427 7518 1 16 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.882 0.504 19427 7519 1 16 . 1 1 57 57 ILE H H 57 7.893 7.893 7.654 0.239 19427 7520 1 16 . 1 1 58 58 TYR N N 58 117.060 117.060 117.010 0.050 19427 7521 1 16 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.498 -0.367 19427 7522 1 16 . 1 1 58 58 TYR C C 58 174.728 174.728 175.359 -0.631 19427 7523 1 16 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.914 4.850 19427 7524 1 16 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.552 1.475 19427 7525 1 16 . 1 1 58 58 TYR H H 58 8.319 8.319 7.614 0.705 19427 7526 1 16 . 1 1 59 59 ASP N N 59 122.545 122.545 119.241 3.304 19427 7527 1 16 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.321 0.029 19427 7528 1 16 . 1 1 59 59 ASP C C 59 174.853 174.853 175.003 -0.150 19427 7529 1 16 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.371 -0.258 19427 7530 1 16 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.736 0.076 19427 7531 1 16 . 1 1 59 59 ASP H H 59 8.177 8.177 7.702 0.475 19427 7532 1 16 . 1 1 60 60 GLN N N 60 116.007 116.007 118.796 -2.789 19427 7533 1 16 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.563 0.167 19427 7534 1 16 . 1 1 60 60 GLN C C 60 174.853 174.853 173.871 0.982 19427 7535 1 16 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.144 -0.631 19427 7536 1 16 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.513 1.871 19427 7537 1 16 . 1 1 60 60 GLN H H 60 8.424 8.424 8.391 0.033 19427 7538 1 16 . 1 1 61 61 SER N N 61 116.009 116.009 115.121 0.888 19427 7539 1 16 . 1 1 61 61 SER HA H 61 4.783 4.783 4.834 -0.051 19427 7540 1 16 . 1 1 61 61 SER CA C 61 56.443 56.443 55.151 1.292 19427 7541 1 16 . 1 1 61 61 SER CB C 61 62.811 62.811 64.026 -1.215 19427 7542 1 16 . 1 1 61 61 SER H H 61 8.424 8.424 8.389 0.035 19427 7543 1 16 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.173 -0.137 19427 7544 1 16 . 1 1 62 62 PRO C C 62 179.161 179.161 178.136 1.025 19427 7545 1 16 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.067 1.429 19427 7546 1 16 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.688 0.093 19427 7547 1 16 . 1 1 63 63 SER N N 63 114.103 114.103 113.659 0.444 19427 7548 1 16 . 1 1 63 63 SER HA H 63 4.838 4.838 4.147 0.691 19427 7549 1 16 . 1 1 63 63 SER C C 63 176.141 176.141 176.730 -0.589 19427 7550 1 16 . 1 1 63 63 SER CB C 63 62.293 62.293 62.795 -0.502 19427 7551 1 16 . 1 1 63 63 SER H H 63 8.596 8.596 7.756 0.840 19427 7552 1 16 . 1 1 64 64 VAL N N 64 125.461 125.461 121.627 3.834 19427 7553 1 16 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.958 -0.397 19427 7554 1 16 . 1 1 64 64 VAL C C 64 178.754 178.754 177.158 1.596 19427 7555 1 16 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.014 2.418 19427 7556 1 16 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.563 0.454 19427 7557 1 16 . 1 1 64 64 VAL H H 64 7.381 7.381 7.447 -0.066 19427 7558 1 16 . 1 1 65 65 LEU N N 65 121.843 121.843 122.150 -0.307 19427 7559 1 16 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.056 -0.157 19427 7560 1 16 . 1 1 65 65 LEU C C 65 178.836 178.836 178.472 0.364 19427 7561 1 16 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.770 -1.458 19427 7562 1 16 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.999 0.256 19427 7563 1 16 . 1 1 65 65 LEU H H 65 8.437 8.437 7.887 0.550 19427 7564 1 16 . 1 1 66 66 THR N N 66 115.794 115.794 113.257 2.537 19427 7565 1 16 . 1 1 66 66 THR HA H 66 3.321 3.321 3.852 -0.531 19427 7566 1 16 . 1 1 66 66 THR C C 66 175.591 175.591 176.340 -0.749 19427 7567 1 16 . 1 1 66 66 THR CA C 66 69.056 69.056 66.771 2.285 19427 7568 1 16 . 1 1 66 66 THR CB C 66 67.992 67.992 68.520 -0.528 19427 7569 1 16 . 1 1 66 66 THR H H 66 8.079 8.079 8.541 -0.462 19427 7570 1 16 . 1 1 67 67 GLU N N 67 118.543 118.543 120.478 -1.935 19427 7571 1 16 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.936 -0.095 19427 7572 1 16 . 1 1 67 67 GLU C C 67 179.342 179.342 178.917 0.425 19427 7573 1 16 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.538 -0.313 19427 7574 1 16 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.023 -0.103 19427 7575 1 16 . 1 1 67 67 GLU H H 67 7.594 7.594 7.750 -0.156 19427 7576 1 16 . 1 1 68 68 GLN N N 68 120.882 120.882 119.111 1.771 19427 7577 1 16 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.636 0.064 19427 7578 1 16 . 1 1 68 68 GLN C C 68 177.403 177.403 178.304 -0.901 19427 7579 1 16 . 1 1 68 68 GLN CA C 68 58.394 58.394 57.692 0.702 19427 7580 1 16 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.989 0.385 19427 7581 1 16 . 1 1 68 68 GLN H H 68 7.847 7.847 7.516 0.331 19427 7582 1 16 . 1 1 69 69 LEU N N 69 118.421 118.421 120.418 -1.997 19427 7583 1 16 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.789 -0.316 19427 7584 1 16 . 1 1 69 69 LEU C C 69 180.177 180.177 179.373 0.804 19427 7585 1 16 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.633 0.780 19427 7586 1 16 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.988 -0.017 19427 7587 1 16 . 1 1 69 69 LEU H H 69 7.986 7.986 7.461 0.525 19427 7588 1 16 . 1 1 70 70 ILE N N 70 121.346 121.346 118.811 2.535 19427 7589 1 16 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.047 0.113 19427 7590 1 16 . 1 1 70 70 ILE C C 70 180.910 180.910 178.329 2.581 19427 7591 1 16 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.456 0.594 19427 7592 1 16 . 1 1 70 70 ILE CB C 70 38.345 38.345 38.039 0.306 19427 7593 1 16 . 1 1 70 70 ILE H H 70 8.262 8.262 8.176 0.086 19427 7594 1 16 . 1 1 71 71 SER N N 71 120.236 120.236 115.351 4.885 19427 7595 1 16 . 1 1 71 71 SER HA H 71 4.273 4.273 4.230 0.043 19427 7596 1 16 . 1 1 71 71 SER C C 71 177.045 177.045 176.059 0.986 19427 7597 1 16 . 1 1 71 71 SER CA C 71 62.544 62.544 60.899 1.645 19427 7598 1 16 . 1 1 71 71 SER CB C 71 62.839 62.839 62.746 0.093 19427 7599 1 16 . 1 1 71 71 SER H H 71 8.388 8.388 7.758 0.630 19427 7600 1 16 . 1 1 72 72 TRP N N 72 119.364 119.364 120.869 -1.505 19427 7601 1 16 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.763 0.163 19427 7602 1 16 . 1 1 72 72 TRP C C 72 176.839 176.839 177.021 -0.182 19427 7603 1 16 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.347 -1.583 19427 7604 1 16 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.642 2.622 19427 7605 1 16 . 1 1 72 72 TRP H H 72 8.066 8.066 7.898 0.168 19427 7606 1 16 . 1 1 73 73 GLY N N 73 106.514 106.514 105.575 0.939 19427 7607 1 16 . 1 1 73 73 GLY C C 73 174.697 174.697 174.941 -0.244 19427 7608 1 16 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.860 -0.457 19427 7609 1 16 . 1 1 73 73 GLY H H 73 8.242 8.242 7.589 0.653 19427 7610 1 16 . 1 1 74 74 VAL N N 74 114.793 114.793 119.575 -4.782 19427 7611 1 16 . 1 1 74 74 VAL HA H 74 4.197 4.197 3.995 0.202 19427 7612 1 16 . 1 1 74 74 VAL C C 74 174.015 174.015 175.302 -1.287 19427 7613 1 16 . 1 1 74 74 VAL CA C 74 63.113 63.113 64.582 -1.469 19427 7614 1 16 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.568 0.281 19427 7615 1 16 . 1 1 74 74 VAL H H 74 7.834 7.834 7.945 -0.111 19427 7616 1 16 . 1 1 75 75 LEU N N 75 118.357 118.357 119.922 -1.565 19427 7617 1 16 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.049 -0.138 19427 7618 1 16 . 1 1 75 75 LEU C C 75 175.022 175.022 175.114 -0.092 19427 7619 1 16 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.597 0.035 19427 7620 1 16 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.755 1.403 19427 7621 1 16 . 1 1 75 75 LEU H H 75 6.898 6.898 7.621 -0.723 19427 7622 1 16 . 1 1 76 76 ASP N N 76 122.400 122.400 125.223 -2.823 19427 7623 1 16 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.566 0.037 19427 7624 1 16 . 1 1 76 76 ASP C C 76 176.384 176.384 177.245 -0.861 19427 7625 1 16 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.414 -0.031 19427 7626 1 16 . 1 1 76 76 ASP CB C 76 43.227 43.227 42.986 0.241 19427 7627 1 16 . 1 1 76 76 ASP H H 76 8.412 8.412 8.786 -0.374 19427 7628 1 16 . 1 1 77 77 ALA N N 77 123.828 123.828 128.161 -4.333 19427 7629 1 16 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.009 0.045 19427 7630 1 16 . 1 1 77 77 ALA C C 77 179.068 179.068 178.370 0.698 19427 7631 1 16 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.617 0.114 19427 7632 1 16 . 1 1 77 77 ALA CB C 77 18.749 18.749 19.033 -0.284 19427 7633 1 16 . 1 1 77 77 ALA H H 77 8.601 8.601 8.649 -0.048 19427 7634 1 16 . 1 1 78 78 ASP N N 78 118.882 118.882 117.578 1.304 19427 7635 1 16 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.601 -0.088 19427 7636 1 16 . 1 1 78 78 ASP C C 78 174.868 174.868 178.070 -3.202 19427 7637 1 16 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.753 -0.475 19427 7638 1 16 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.809 0.099 19427 7639 1 16 . 1 1 78 78 ASP H H 78 8.791 8.791 8.827 -0.036 19427 7640 1 16 . 1 1 79 79 ALA N N 79 121.027 121.027 122.383 -1.356 19427 7641 1 16 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.083 -0.082 19427 7642 1 16 . 1 1 79 79 ALA C C 79 178.803 178.803 178.963 -0.160 19427 7643 1 16 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.873 -0.482 19427 7644 1 16 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.362 1.558 19427 7645 1 16 . 1 1 79 79 ALA H H 79 8.287 8.287 7.744 0.543 19427 7646 1 16 . 1 1 80 80 ARG N N 80 115.805 115.805 117.278 -1.473 19427 7647 1 16 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.966 -0.042 19427 7648 1 16 . 1 1 80 80 ARG C C 80 178.254 178.254 178.196 0.058 19427 7649 1 16 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.609 0.620 19427 7650 1 16 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.267 0.990 19427 7651 1 16 . 1 1 80 80 ARG H H 80 7.689 7.689 7.780 -0.091 19427 7652 1 16 . 1 1 81 81 ARG N N 81 117.554 117.554 118.304 -0.750 19427 7653 1 16 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.063 0.143 19427 7654 1 16 . 1 1 81 81 ARG C C 81 177.214 177.214 176.941 0.273 19427 7655 1 16 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.306 -0.613 19427 7656 1 16 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.794 0.448 19427 7657 1 16 . 1 1 81 81 ARG H H 81 7.782 7.782 7.952 -0.170 19427 7658 1 16 . 1 1 82 82 ALA N N 82 121.590 121.590 120.376 1.214 19427 7659 1 16 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.226 0.053 19427 7660 1 16 . 1 1 82 82 ALA C C 82 177.798 177.798 178.609 -0.811 19427 7661 1 16 . 1 1 82 82 ALA CA C 82 53.255 53.255 53.959 -0.704 19427 7662 1 16 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.761 -0.198 19427 7663 1 16 . 1 1 82 82 ALA H H 82 7.875 7.875 7.562 0.313 19427 7664 1 16 . 1 1 83 83 VAL N N 83 114.483 114.483 118.199 -3.716 19427 7665 1 16 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.903 0.238 19427 7666 1 16 . 1 1 83 83 VAL C C 83 175.572 175.572 175.310 0.262 19427 7667 1 16 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.763 -0.722 19427 7668 1 16 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.273 0.507 19427 7669 1 16 . 1 1 83 83 VAL H H 83 7.503 7.503 7.386 0.117 19427 7670 1 16 . 1 1 84 84 ALA N N 84 125.870 125.870 123.031 2.839 19427 7671 1 16 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.145 0.176 19427 7672 1 16 . 1 1 84 84 ALA C C 84 177.696 177.696 176.500 1.196 19427 7673 1 16 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.902 -0.131 19427 7674 1 16 . 1 1 84 84 ALA CB C 84 19.512 19.512 18.061 1.451 19427 7675 1 16 . 1 1 84 84 ALA H H 84 7.876 7.876 7.604 0.272 19427 7676 1 16 . 1 1 85 85 SER N N 85 114.965 114.965 119.153 -4.188 19427 7677 1 16 . 1 1 85 85 SER HA H 85 4.396 4.396 4.529 -0.133 19427 7678 1 16 . 1 1 85 85 SER CA C 85 58.393 58.393 57.414 0.979 19427 7679 1 16 . 1 1 85 85 SER CB C 85 63.915 63.915 64.901 -0.986 19427 7680 1 16 . 1 1 85 85 SER H H 85 8.521 8.521 8.068 0.453 19427 7681 1 16 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.481 0.185 19427 7682 1 16 . 1 1 86 86 HIS C C 86 174.868 174.868 174.662 0.206 19427 7683 1 16 . 1 1 86 86 HIS CA C 86 56.321 56.321 57.223 -0.902 19427 7684 1 16 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.543 -0.230 19427 7685 1 16 . 1 1 87 87 ASP N N 87 121.205 121.205 123.377 -2.172 19427 7686 1 16 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.633 -0.030 19427 7687 1 16 . 1 1 87 87 ASP C C 87 175.917 175.917 175.847 0.070 19427 7688 1 16 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.850 -0.273 19427 7689 1 16 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.725 0.531 19427 7690 1 16 . 1 1 87 87 ASP H H 87 8.326 8.326 8.767 -0.441 19427 7691 1 16 . 1 1 88 88 GLU N N 88 121.167 121.167 123.000 -1.833 19427 7692 1 16 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.612 -0.295 19427 7693 1 16 . 1 1 88 88 GLU C C 88 175.455 175.455 175.732 -0.277 19427 7694 1 16 . 1 1 88 88 GLU CA C 88 56.372 56.372 55.531 0.841 19427 7695 1 16 . 1 1 88 88 GLU CB C 88 30.373 30.373 31.310 -0.937 19427 7696 1 16 . 1 1 88 88 GLU H H 88 8.352 8.352 8.513 -0.161 19427 7697 1 17 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.180 0.221 19427 7698 1 17 . 1 1 5 5 PRO C C 5 176.334 176.334 176.206 0.128 19427 7699 1 17 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.705 -0.922 19427 7700 1 17 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.661 0.693 19427 7701 1 17 . 1 1 6 6 LYS N N 6 121.980 121.980 124.576 -2.596 19427 7702 1 17 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.224 0.150 19427 7703 1 17 . 1 1 6 6 LYS C C 6 175.715 175.715 176.706 -0.991 19427 7704 1 17 . 1 1 6 6 LYS CA C 6 56.172 56.172 56.046 0.126 19427 7705 1 17 . 1 1 6 6 LYS CB C 6 33.270 33.270 32.486 0.784 19427 7706 1 17 . 1 1 6 6 LYS H H 6 8.546 8.546 8.283 0.263 19427 7707 1 17 . 1 1 7 7 LEU N N 7 125.018 125.018 130.304 -5.286 19427 7708 1 17 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.457 0.066 19427 7709 1 17 . 1 1 7 7 LEU C C 7 174.994 174.994 175.645 -0.651 19427 7710 1 17 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.457 -0.407 19427 7711 1 17 . 1 1 7 7 LEU CB C 7 43.171 43.171 41.617 1.554 19427 7712 1 17 . 1 1 7 7 LEU H H 7 8.620 8.620 8.259 0.361 19427 7713 1 17 . 1 1 8 8 VAL N N 8 121.522 121.522 125.103 -3.581 19427 7714 1 17 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.487 0.060 19427 7715 1 17 . 1 1 8 8 VAL C C 8 175.042 175.042 175.297 -0.255 19427 7716 1 17 . 1 1 8 8 VAL CA C 8 61.206 61.206 60.881 0.325 19427 7717 1 17 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.584 3.013 19427 7718 1 17 . 1 1 8 8 VAL H H 8 8.084 8.084 7.993 0.091 19427 7719 1 17 . 1 1 9 9 LEU N N 9 126.312 126.312 129.391 -3.079 19427 7720 1 17 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.896 0.044 19427 7721 1 17 . 1 1 9 9 LEU C C 9 175.831 175.831 175.789 0.042 19427 7722 1 17 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.769 -0.223 19427 7723 1 17 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.207 1.026 19427 7724 1 17 . 1 1 9 9 LEU H H 9 9.137 9.137 9.328 -0.191 19427 7725 1 17 . 1 1 10 10 ASP N N 10 123.236 123.236 124.143 -0.907 19427 7726 1 17 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.951 -0.103 19427 7727 1 17 . 1 1 10 10 ASP C C 10 176.685 176.685 176.829 -0.144 19427 7728 1 17 . 1 1 10 10 ASP CA C 10 53.593 53.593 53.837 -0.244 19427 7729 1 17 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.623 -0.803 19427 7730 1 17 . 1 1 10 10 ASP H H 10 9.002 9.002 8.389 0.613 19427 7731 1 17 . 1 1 11 11 LEU N N 11 124.059 124.059 125.708 -1.649 19427 7732 1 17 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.198 -0.132 19427 7733 1 17 . 1 1 11 11 LEU C C 11 180.169 180.169 178.081 2.088 19427 7734 1 17 . 1 1 11 11 LEU CA C 11 57.013 57.013 56.822 0.191 19427 7735 1 17 . 1 1 11 11 LEU CB C 11 40.850 40.850 41.996 -1.146 19427 7736 1 17 . 1 1 11 11 LEU H H 11 8.273 8.273 8.580 -0.307 19427 7737 1 17 . 1 1 12 12 GLU N N 12 121.967 121.967 118.155 3.812 19427 7738 1 17 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.133 0.041 19427 7739 1 17 . 1 1 12 12 GLU C C 12 179.719 179.719 179.431 0.288 19427 7740 1 17 . 1 1 12 12 GLU CA C 12 59.628 59.628 58.656 0.973 19427 7741 1 17 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.524 0.036 19427 7742 1 17 . 1 1 12 12 GLU H H 12 8.273 8.273 7.741 0.532 19427 7743 1 17 . 1 1 13 13 ARG N N 13 119.595 119.595 121.644 -2.049 19427 7744 1 17 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.175 -0.003 19427 7745 1 17 . 1 1 13 13 ARG C C 13 179.909 179.909 178.494 1.415 19427 7746 1 17 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.005 -0.695 19427 7747 1 17 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.710 -0.155 19427 7748 1 17 . 1 1 13 13 ARG H H 13 8.081 8.081 9.072 -0.991 19427 7749 1 17 . 1 1 14 14 LEU N N 14 120.325 120.325 116.978 3.347 19427 7750 1 17 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.114 -0.167 19427 7751 1 17 . 1 1 14 14 LEU C C 14 177.166 177.166 176.717 0.449 19427 7752 1 17 . 1 1 14 14 LEU CA C 14 57.574 57.574 56.374 1.200 19427 7753 1 17 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.659 0.139 19427 7754 1 17 . 1 1 14 14 LEU H H 14 8.205 8.205 7.450 0.755 19427 7755 1 17 . 1 1 15 15 ALA N N 15 117.835 117.835 118.536 -0.701 19427 7756 1 17 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.254 -0.129 19427 7757 1 17 . 1 1 15 15 ALA C C 15 178.500 178.500 178.360 0.140 19427 7758 1 17 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.697 0.623 19427 7759 1 17 . 1 1 15 15 ALA CB C 15 18.712 18.712 19.627 -0.915 19427 7760 1 17 . 1 1 15 15 ALA H H 15 7.265 7.265 7.468 -0.203 19427 7761 1 17 . 1 1 16 16 THR N N 16 105.967 105.967 109.720 -3.753 19427 7762 1 17 . 1 1 16 16 THR HA H 16 4.378 4.378 4.268 0.110 19427 7763 1 17 . 1 1 16 16 THR C C 16 174.639 174.639 174.984 -0.345 19427 7764 1 17 . 1 1 16 16 THR CA C 16 61.642 61.642 62.596 -0.954 19427 7765 1 17 . 1 1 16 16 THR CB C 16 69.957 69.957 69.317 0.640 19427 7766 1 17 . 1 1 16 16 THR H H 16 7.530 7.530 7.479 0.051 19427 7767 1 17 . 1 1 17 17 VAL N N 17 126.962 126.962 124.382 2.580 19427 7768 1 17 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.166 -0.181 19427 7769 1 17 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.759 0.776 19427 7770 1 17 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.790 0.598 19427 7771 1 17 . 1 1 17 17 VAL H H 17 7.208 7.208 7.236 -0.028 19427 7772 1 17 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.239 0.029 19427 7773 1 17 . 1 1 18 18 PRO C C 18 178.094 178.094 177.690 0.404 19427 7774 1 17 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.393 0.455 19427 7775 1 17 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.117 0.594 19427 7776 1 17 . 1 1 19 19 ALA N N 19 128.383 128.383 127.010 1.373 19427 7777 1 17 . 1 1 19 19 ALA HA H 19 3.944 3.944 4.000 -0.056 19427 7778 1 17 . 1 1 19 19 ALA C C 19 180.008 180.008 179.170 0.838 19427 7779 1 17 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.650 0.667 19427 7780 1 17 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.575 0.339 19427 7781 1 17 . 1 1 19 19 ALA H H 19 8.872 8.872 8.672 0.200 19427 7782 1 17 . 1 1 20 20 GLU N N 20 118.522 118.522 117.256 1.266 19427 7783 1 17 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.120 -0.006 19427 7784 1 17 . 1 1 20 20 GLU C C 20 177.573 177.573 177.255 0.318 19427 7785 1 17 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.110 1.526 19427 7786 1 17 . 1 1 20 20 GLU CB C 20 28.838 28.838 28.924 -0.086 19427 7787 1 17 . 1 1 20 20 GLU H H 20 9.459 9.459 8.761 0.698 19427 7788 1 17 . 1 1 21 21 LYS N N 21 115.147 115.147 117.898 -2.751 19427 7789 1 17 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.264 0.388 19427 7790 1 17 . 1 1 21 21 LYS C C 21 177.045 177.045 177.013 0.032 19427 7791 1 17 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.482 -0.495 19427 7792 1 17 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.728 0.224 19427 7793 1 17 . 1 1 21 21 LYS H H 21 7.441 7.441 7.860 -0.419 19427 7794 1 17 . 1 1 22 22 ALA N N 22 119.898 119.898 120.233 -0.335 19427 7795 1 17 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.752 -0.608 19427 7796 1 17 . 1 1 22 22 ALA C C 22 177.520 177.520 178.807 -1.287 19427 7797 1 17 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.320 0.861 19427 7798 1 17 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.883 1.348 19427 7799 1 17 . 1 1 22 22 ALA H H 22 8.096 8.096 8.294 -0.198 19427 7800 1 17 . 1 1 23 23 GLY N N 23 107.148 107.148 109.137 -1.989 19427 7801 1 17 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.002 1.010 19427 7802 1 17 . 1 1 23 23 GLY H H 23 8.484 8.484 7.915 0.569 19427 7803 1 17 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.386 -0.212 19427 7804 1 17 . 1 1 24 24 PRO C C 24 179.318 179.318 178.296 1.022 19427 7805 1 17 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.356 0.597 19427 7806 1 17 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.470 -0.099 19427 7807 1 17 . 1 1 25 25 LEU N N 25 118.416 118.416 120.221 -1.805 19427 7808 1 17 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.063 0.293 19427 7809 1 17 . 1 1 25 25 LEU C C 25 177.871 177.871 178.592 -0.721 19427 7810 1 17 . 1 1 25 25 LEU CA C 25 57.935 57.935 58.224 -0.289 19427 7811 1 17 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.842 0.508 19427 7812 1 17 . 1 1 25 25 LEU H H 25 7.394 7.394 8.043 -0.649 19427 7813 1 17 . 1 1 26 26 GLN N N 26 119.819 119.819 118.093 1.726 19427 7814 1 17 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.981 -0.087 19427 7815 1 17 . 1 1 26 26 GLN C C 26 179.865 179.865 178.615 1.250 19427 7816 1 17 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.337 0.434 19427 7817 1 17 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.588 -1.034 19427 7818 1 17 . 1 1 26 26 GLN H H 26 8.885 8.885 8.594 0.291 19427 7819 1 17 . 1 1 27 27 ARG N N 27 119.761 119.761 120.107 -0.346 19427 7820 1 17 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.089 0.052 19427 7821 1 17 . 1 1 27 27 ARG C C 27 178.950 178.950 178.634 0.316 19427 7822 1 17 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.490 1.146 19427 7823 1 17 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.452 0.964 19427 7824 1 17 . 1 1 27 27 ARG H H 27 8.694 8.694 8.273 0.421 19427 7825 1 17 . 1 1 28 28 TYR N N 28 122.540 122.540 121.875 0.665 19427 7826 1 17 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.069 0.102 19427 7827 1 17 . 1 1 28 28 TYR C C 28 177.843 177.843 177.165 0.678 19427 7828 1 17 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.745 0.533 19427 7829 1 17 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.242 1.471 19427 7830 1 17 . 1 1 28 28 TYR H H 28 8.211 8.211 8.334 -0.123 19427 7831 1 17 . 1 1 29 29 ALA N N 29 120.477 120.477 121.030 -0.553 19427 7832 1 17 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.887 -0.125 19427 7833 1 17 . 1 1 29 29 ALA C C 29 178.739 178.739 179.340 -0.601 19427 7834 1 17 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.275 -0.090 19427 7835 1 17 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.961 -0.032 19427 7836 1 17 . 1 1 29 29 ALA H H 29 9.065 9.065 8.561 0.504 19427 7837 1 17 . 1 1 30 30 ALA N N 30 118.596 118.596 120.432 -1.836 19427 7838 1 17 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.990 0.297 19427 7839 1 17 . 1 1 30 30 ALA C C 30 180.895 180.895 180.122 0.773 19427 7840 1 17 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.231 -0.155 19427 7841 1 17 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.184 -0.098 19427 7842 1 17 . 1 1 30 30 ALA H H 30 7.741 7.741 8.618 -0.877 19427 7843 1 17 . 1 1 31 31 THR N N 31 116.024 116.024 117.448 -1.424 19427 7844 1 17 . 1 1 31 31 THR HA H 31 3.995 3.995 4.007 -0.012 19427 7845 1 17 . 1 1 31 31 THR C C 31 176.687 176.687 176.519 0.168 19427 7846 1 17 . 1 1 31 31 THR CA C 31 66.452 66.452 66.660 -0.208 19427 7847 1 17 . 1 1 31 31 THR CB C 31 68.867 68.867 68.541 0.326 19427 7848 1 17 . 1 1 31 31 THR H H 31 7.914 7.914 8.097 -0.183 19427 7849 1 17 . 1 1 32 32 ILE N N 32 121.094 121.094 121.653 -0.559 19427 7850 1 17 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.577 0.238 19427 7851 1 17 . 1 1 32 32 ILE C C 32 178.583 178.583 178.080 0.503 19427 7852 1 17 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.847 0.306 19427 7853 1 17 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.474 0.466 19427 7854 1 17 . 1 1 32 32 ILE H H 32 7.846 7.846 8.191 -0.345 19427 7855 1 17 . 1 1 33 33 GLN N N 33 119.832 119.832 119.004 0.828 19427 7856 1 17 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.856 -0.017 19427 7857 1 17 . 1 1 33 33 GLN C C 33 178.264 178.264 178.722 -0.458 19427 7858 1 17 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.413 0.445 19427 7859 1 17 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.605 0.760 19427 7860 1 17 . 1 1 33 33 GLN H H 33 8.374 8.374 8.344 0.030 19427 7861 1 17 . 1 1 34 34 SER N N 34 112.726 112.726 113.927 -1.201 19427 7862 1 17 . 1 1 34 34 SER HA H 34 4.333 4.333 4.136 0.197 19427 7863 1 17 . 1 1 34 34 SER C C 34 176.817 176.817 176.536 0.281 19427 7864 1 17 . 1 1 34 34 SER CA C 34 60.915 60.915 61.279 -0.364 19427 7865 1 17 . 1 1 34 34 SER CB C 34 63.235 63.235 62.895 0.340 19427 7866 1 17 . 1 1 34 34 SER H H 34 7.816 7.816 8.176 -0.360 19427 7867 1 17 . 1 1 35 35 GLN N N 35 120.724 120.724 121.053 -0.329 19427 7868 1 17 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.151 0.043 19427 7869 1 17 . 1 1 35 35 GLN C C 35 177.930 177.930 177.940 -0.010 19427 7870 1 17 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.886 0.223 19427 7871 1 17 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.779 0.409 19427 7872 1 17 . 1 1 35 35 GLN H H 35 8.034 8.034 8.199 -0.165 19427 7873 1 17 . 1 1 36 36 ARG N N 36 116.267 116.267 116.705 -0.438 19427 7874 1 17 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.370 0.028 19427 7875 1 17 . 1 1 36 36 ARG C C 36 177.013 177.013 177.595 -0.582 19427 7876 1 17 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.017 0.407 19427 7877 1 17 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.437 0.981 19427 7878 1 17 . 1 1 36 36 ARG H H 36 8.091 8.091 7.674 0.417 19427 7879 1 17 . 1 1 37 37 GLY N N 37 109.299 109.299 109.726 -0.427 19427 7880 1 17 . 1 1 37 37 GLY C C 37 173.661 173.661 174.122 -0.461 19427 7881 1 17 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.776 0.494 19427 7882 1 17 . 1 1 37 37 GLY H H 37 7.972 7.972 7.837 0.135 19427 7883 1 17 . 1 1 38 38 ASP N N 38 119.246 119.246 119.424 -0.178 19427 7884 1 17 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.611 0.104 19427 7885 1 17 . 1 1 38 38 ASP C C 38 175.405 175.405 174.877 0.528 19427 7886 1 17 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.074 0.097 19427 7887 1 17 . 1 1 38 38 ASP CB C 38 41.640 41.640 43.212 -1.572 19427 7888 1 17 . 1 1 38 38 ASP H H 38 7.838 7.838 7.701 0.137 19427 7889 1 17 . 1 1 39 39 TYR N N 39 121.210 121.210 117.441 3.769 19427 7890 1 17 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.618 -0.091 19427 7891 1 17 . 1 1 39 39 TYR C C 39 176.937 176.937 174.847 2.090 19427 7892 1 17 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.523 0.605 19427 7893 1 17 . 1 1 39 39 TYR CB C 39 38.588 38.588 40.039 -1.451 19427 7894 1 17 . 1 1 39 39 TYR H H 39 8.202 8.202 8.164 0.038 19427 7895 1 17 . 1 1 40 40 ASN N N 40 120.622 120.622 118.652 1.970 19427 7896 1 17 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.648 -0.029 19427 7897 1 17 . 1 1 40 40 ASN C C 40 175.853 175.853 174.431 1.422 19427 7898 1 17 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.097 1.286 19427 7899 1 17 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.646 0.860 19427 7900 1 17 . 1 1 40 40 ASN H H 40 8.393 8.393 8.724 -0.331 19427 7901 1 17 . 1 1 41 41 GLY N N 41 107.971 107.971 107.885 0.086 19427 7902 1 17 . 1 1 41 41 GLY C C 41 173.926 173.926 174.150 -0.224 19427 7903 1 17 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.571 1.359 19427 7904 1 17 . 1 1 41 41 GLY H H 41 8.103 8.103 8.332 -0.229 19427 7905 1 17 . 1 1 42 42 LYS N N 42 119.472 119.472 118.295 1.177 19427 7906 1 17 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.616 -0.127 19427 7907 1 17 . 1 1 42 42 LYS C C 42 176.201 176.201 175.883 0.318 19427 7908 1 17 . 1 1 42 42 LYS CA C 42 57.709 57.709 56.803 0.906 19427 7909 1 17 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.185 0.160 19427 7910 1 17 . 1 1 42 42 LYS H H 42 8.652 8.652 7.929 0.723 19427 7911 1 17 . 1 1 43 43 VAL N N 43 112.852 112.852 112.758 0.094 19427 7912 1 17 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.180 0.150 19427 7913 1 17 . 1 1 43 43 VAL C C 43 174.906 174.906 174.366 0.540 19427 7914 1 17 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.888 -0.624 19427 7915 1 17 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.322 0.631 19427 7916 1 17 . 1 1 43 43 VAL H H 43 7.840 7.840 7.201 0.639 19427 7917 1 17 . 1 1 44 44 LEU N N 44 123.642 123.642 125.324 -1.682 19427 7918 1 17 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.901 -0.112 19427 7919 1 17 . 1 1 44 44 LEU C C 44 175.260 175.260 175.143 0.117 19427 7920 1 17 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.914 -0.038 19427 7921 1 17 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.478 1.020 19427 7922 1 17 . 1 1 44 44 LEU H H 44 8.610 8.610 9.213 -0.603 19427 7923 1 17 . 1 1 45 45 SER N N 45 124.267 124.267 123.562 0.705 19427 7924 1 17 . 1 1 45 45 SER HA H 45 5.052 5.052 5.496 -0.444 19427 7925 1 17 . 1 1 45 45 SER C C 45 174.246 174.246 174.309 -0.063 19427 7926 1 17 . 1 1 45 45 SER CA C 45 58.852 58.852 57.770 1.082 19427 7927 1 17 . 1 1 45 45 SER CB C 45 63.509 63.509 63.182 0.327 19427 7928 1 17 . 1 1 45 45 SER H H 45 9.111 9.111 8.666 0.445 19427 7929 1 17 . 1 1 46 46 ILE N N 46 118.924 118.924 121.601 -2.677 19427 7930 1 17 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.606 0.174 19427 7931 1 17 . 1 1 46 46 ILE C C 46 174.199 174.199 174.633 -0.434 19427 7932 1 17 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.336 0.266 19427 7933 1 17 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.527 1.068 19427 7934 1 17 . 1 1 46 46 ILE H H 46 8.542 8.542 9.034 -0.492 19427 7935 1 17 . 1 1 47 47 ARG N N 47 119.572 119.572 119.335 0.237 19427 7936 1 17 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.659 0.206 19427 7937 1 17 . 1 1 47 47 ARG C C 47 178.511 178.511 177.986 0.525 19427 7938 1 17 . 1 1 47 47 ARG CA C 47 54.508 54.508 53.468 1.040 19427 7939 1 17 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.154 2.164 19427 7940 1 17 . 1 1 47 47 ARG H H 47 9.488 9.488 9.299 0.189 19427 7941 1 17 . 1 1 48 48 GLN N N 48 122.809 122.809 120.039 2.770 19427 7942 1 17 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.046 -0.228 19427 7943 1 17 . 1 1 48 48 GLN C C 48 178.972 178.972 177.785 1.187 19427 7944 1 17 . 1 1 48 48 GLN CA C 48 60.527 60.527 60.033 0.494 19427 7945 1 17 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.004 0.280 19427 7946 1 17 . 1 1 48 48 GLN H H 48 9.350 9.350 8.771 0.579 19427 7947 1 17 . 1 1 49 49 ASP N N 49 115.682 115.682 118.266 -2.584 19427 7948 1 17 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.476 -0.116 19427 7949 1 17 . 1 1 49 49 ASP C C 49 178.758 178.758 178.222 0.536 19427 7950 1 17 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.195 0.162 19427 7951 1 17 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.064 0.419 19427 7952 1 17 . 1 1 49 49 ASP H H 49 8.855 8.855 8.716 0.139 19427 7953 1 17 . 1 1 50 50 ASP N N 50 117.926 117.926 121.209 -3.283 19427 7954 1 17 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.451 0.161 19427 7955 1 17 . 1 1 50 50 ASP C C 50 177.865 177.865 178.571 -0.706 19427 7956 1 17 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.190 0.885 19427 7957 1 17 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.610 1.029 19427 7958 1 17 . 1 1 50 50 ASP H H 50 7.519 7.519 7.350 0.169 19427 7959 1 17 . 1 1 51 51 LEU N N 51 118.893 118.893 120.922 -2.029 19427 7960 1 17 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.908 0.004 19427 7961 1 17 . 1 1 51 51 LEU C C 51 178.254 178.254 178.486 -0.232 19427 7962 1 17 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.842 0.287 19427 7963 1 17 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.923 -0.526 19427 7964 1 17 . 1 1 51 51 LEU H H 51 7.444 7.444 7.672 -0.228 19427 7965 1 17 . 1 1 52 52 ARG N N 52 117.366 117.366 118.209 -0.843 19427 7966 1 17 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.946 -0.036 19427 7967 1 17 . 1 1 52 52 ARG C C 52 178.886 178.886 178.791 0.095 19427 7968 1 17 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.825 0.460 19427 7969 1 17 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.971 -0.153 19427 7970 1 17 . 1 1 52 52 ARG H H 52 7.757 7.757 7.604 0.153 19427 7971 1 17 . 1 1 53 53 THR N N 53 118.266 118.266 116.934 1.332 19427 7972 1 17 . 1 1 53 53 THR HA H 53 3.924 3.924 4.002 -0.078 19427 7973 1 17 . 1 1 53 53 THR C C 53 176.626 176.626 176.487 0.139 19427 7974 1 17 . 1 1 53 53 THR CA C 53 67.001 67.001 66.312 0.688 19427 7975 1 17 . 1 1 53 53 THR CB C 53 68.759 68.759 68.547 0.212 19427 7976 1 17 . 1 1 53 53 THR H H 53 7.973 7.973 7.829 0.144 19427 7977 1 17 . 1 1 54 54 LEU N N 54 122.030 122.030 121.044 0.986 19427 7978 1 17 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.612 0.197 19427 7979 1 17 . 1 1 54 54 LEU C C 54 177.755 177.755 178.148 -0.393 19427 7980 1 17 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.705 0.118 19427 7981 1 17 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.867 2.222 19427 7982 1 17 . 1 1 54 54 LEU H H 54 8.355 8.355 8.029 0.326 19427 7983 1 17 . 1 1 55 55 ALA N N 55 122.634 122.634 120.945 1.689 19427 7984 1 17 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.924 -0.032 19427 7985 1 17 . 1 1 55 55 ALA C C 55 179.192 179.192 179.234 -0.042 19427 7986 1 17 . 1 1 55 55 ALA CA C 55 56.505 56.505 54.831 1.674 19427 7987 1 17 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.157 -0.993 19427 7988 1 17 . 1 1 55 55 ALA H H 55 8.195 8.195 7.424 0.771 19427 7989 1 17 . 1 1 56 56 VAL N N 56 118.079 118.079 118.935 -0.856 19427 7990 1 17 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.710 0.151 19427 7991 1 17 . 1 1 56 56 VAL C C 56 180.389 180.389 178.647 1.742 19427 7992 1 17 . 1 1 56 56 VAL CA C 56 66.587 66.587 66.601 -0.014 19427 7993 1 17 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.565 0.128 19427 7994 1 17 . 1 1 56 56 VAL H H 56 7.402 7.402 7.322 0.080 19427 7995 1 17 . 1 1 57 57 ILE N N 57 122.536 122.536 120.777 1.759 19427 7996 1 17 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.663 -0.059 19427 7997 1 17 . 1 1 57 57 ILE C C 57 177.942 177.942 176.602 1.340 19427 7998 1 17 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.612 1.231 19427 7999 1 17 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.524 0.862 19427 8000 1 17 . 1 1 57 57 ILE H H 57 7.893 7.893 7.387 0.506 19427 8001 1 17 . 1 1 58 58 TYR N N 58 117.060 117.060 116.922 0.138 19427 8002 1 17 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.659 -0.528 19427 8003 1 17 . 1 1 58 58 TYR C C 58 174.728 174.728 175.127 -0.399 19427 8004 1 17 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.581 5.183 19427 8005 1 17 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.794 1.232 19427 8006 1 17 . 1 1 58 58 TYR H H 58 8.319 8.319 7.480 0.839 19427 8007 1 17 . 1 1 59 59 ASP N N 59 122.545 122.545 116.812 5.733 19427 8008 1 17 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.250 0.100 19427 8009 1 17 . 1 1 59 59 ASP C C 59 174.853 174.853 175.523 -0.670 19427 8010 1 17 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.645 -0.532 19427 8011 1 17 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.690 0.122 19427 8012 1 17 . 1 1 59 59 ASP H H 59 8.177 8.177 7.836 0.341 19427 8013 1 17 . 1 1 60 60 GLN N N 60 116.007 116.007 118.470 -2.463 19427 8014 1 17 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.653 0.077 19427 8015 1 17 . 1 1 60 60 GLN C C 60 174.853 174.853 174.986 -0.133 19427 8016 1 17 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.920 -0.407 19427 8017 1 17 . 1 1 60 60 GLN CB C 60 34.384 34.384 30.801 3.583 19427 8018 1 17 . 1 1 60 60 GLN H H 60 8.424 8.424 8.344 0.080 19427 8019 1 17 . 1 1 61 61 SER N N 61 116.009 116.009 115.075 0.934 19427 8020 1 17 . 1 1 61 61 SER HA H 61 4.783 4.783 4.880 -0.097 19427 8021 1 17 . 1 1 61 61 SER CA C 61 56.443 56.443 54.312 2.131 19427 8022 1 17 . 1 1 61 61 SER CB C 61 62.811 62.811 64.069 -1.258 19427 8023 1 17 . 1 1 61 61 SER H H 61 8.424 8.424 8.413 0.011 19427 8024 1 17 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.260 -0.224 19427 8025 1 17 . 1 1 62 62 PRO C C 62 179.161 179.161 178.324 0.837 19427 8026 1 17 . 1 1 62 62 PRO CA C 62 66.496 66.496 64.904 1.592 19427 8027 1 17 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.985 -0.205 19427 8028 1 17 . 1 1 63 63 SER N N 63 114.103 114.103 114.488 -0.385 19427 8029 1 17 . 1 1 63 63 SER HA H 63 4.838 4.838 4.116 0.722 19427 8030 1 17 . 1 1 63 63 SER C C 63 176.141 176.141 176.195 -0.054 19427 8031 1 17 . 1 1 63 63 SER CB C 63 62.293 62.293 62.627 -0.334 19427 8032 1 17 . 1 1 63 63 SER H H 63 8.596 8.596 7.497 1.099 19427 8033 1 17 . 1 1 64 64 VAL N N 64 125.461 125.461 122.303 3.158 19427 8034 1 17 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.871 -0.310 19427 8035 1 17 . 1 1 64 64 VAL C C 64 178.754 178.754 177.011 1.743 19427 8036 1 17 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.871 1.561 19427 8037 1 17 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.293 0.724 19427 8038 1 17 . 1 1 64 64 VAL H H 64 7.381 7.381 7.513 -0.132 19427 8039 1 17 . 1 1 65 65 LEU N N 65 121.843 121.843 121.927 -0.084 19427 8040 1 17 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.033 -0.134 19427 8041 1 17 . 1 1 65 65 LEU C C 65 178.836 178.836 178.343 0.493 19427 8042 1 17 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.766 -1.454 19427 8043 1 17 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.588 0.667 19427 8044 1 17 . 1 1 65 65 LEU H H 65 8.437 8.437 7.908 0.529 19427 8045 1 17 . 1 1 66 66 THR N N 66 115.794 115.794 114.066 1.728 19427 8046 1 17 . 1 1 66 66 THR HA H 66 3.321 3.321 3.884 -0.563 19427 8047 1 17 . 1 1 66 66 THR C C 66 175.591 175.591 176.507 -0.916 19427 8048 1 17 . 1 1 66 66 THR CA C 66 69.056 69.056 66.421 2.635 19427 8049 1 17 . 1 1 66 66 THR CB C 66 67.992 67.992 68.651 -0.659 19427 8050 1 17 . 1 1 66 66 THR H H 66 8.079 8.079 8.343 -0.264 19427 8051 1 17 . 1 1 67 67 GLU N N 67 118.543 118.543 120.542 -1.999 19427 8052 1 17 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.937 -0.096 19427 8053 1 17 . 1 1 67 67 GLU C C 67 179.342 179.342 178.906 0.436 19427 8054 1 17 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.521 -0.296 19427 8055 1 17 . 1 1 67 67 GLU CB C 67 28.921 28.921 28.980 -0.059 19427 8056 1 17 . 1 1 67 67 GLU H H 67 7.594 7.594 7.734 -0.140 19427 8057 1 17 . 1 1 68 68 GLN N N 68 120.882 120.882 119.460 1.422 19427 8058 1 17 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.718 -0.018 19427 8059 1 17 . 1 1 68 68 GLN C C 68 177.403 177.403 177.911 -0.508 19427 8060 1 17 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.335 0.059 19427 8061 1 17 . 1 1 68 68 GLN CB C 68 28.374 28.374 28.301 0.073 19427 8062 1 17 . 1 1 68 68 GLN H H 68 7.847 7.847 7.683 0.164 19427 8063 1 17 . 1 1 69 69 LEU N N 69 118.421 118.421 119.840 -1.419 19427 8064 1 17 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.572 -0.099 19427 8065 1 17 . 1 1 69 69 LEU C C 69 180.177 180.177 179.252 0.925 19427 8066 1 17 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.932 0.480 19427 8067 1 17 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.076 -0.105 19427 8068 1 17 . 1 1 69 69 LEU H H 69 7.986 7.986 7.878 0.108 19427 8069 1 17 . 1 1 70 70 ILE N N 70 121.346 121.346 118.478 2.868 19427 8070 1 17 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.011 0.149 19427 8071 1 17 . 1 1 70 70 ILE C C 70 180.910 180.910 178.593 2.317 19427 8072 1 17 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.501 0.548 19427 8073 1 17 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.931 0.414 19427 8074 1 17 . 1 1 70 70 ILE H H 70 8.262 8.262 8.121 0.141 19427 8075 1 17 . 1 1 71 71 SER N N 71 120.236 120.236 115.799 4.437 19427 8076 1 17 . 1 1 71 71 SER HA H 71 4.273 4.273 4.280 -0.007 19427 8077 1 17 . 1 1 71 71 SER C C 71 177.045 177.045 176.369 0.676 19427 8078 1 17 . 1 1 71 71 SER CA C 71 62.544 62.544 60.784 1.760 19427 8079 1 17 . 1 1 71 71 SER CB C 71 62.839 62.839 63.108 -0.269 19427 8080 1 17 . 1 1 71 71 SER H H 71 8.388 8.388 7.961 0.427 19427 8081 1 17 . 1 1 72 72 TRP N N 72 119.364 119.364 119.237 0.127 19427 8082 1 17 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.712 0.214 19427 8083 1 17 . 1 1 72 72 TRP C C 72 176.839 176.839 176.725 0.114 19427 8084 1 17 . 1 1 72 72 TRP CA C 72 55.764 55.764 56.214 -0.450 19427 8085 1 17 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.514 1.750 19427 8086 1 17 . 1 1 72 72 TRP H H 72 8.066 8.066 8.225 -0.159 19427 8087 1 17 . 1 1 73 73 GLY N N 73 106.514 106.514 105.318 1.196 19427 8088 1 17 . 1 1 73 73 GLY C C 73 174.697 174.697 174.840 -0.143 19427 8089 1 17 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.836 -0.433 19427 8090 1 17 . 1 1 73 73 GLY H H 73 8.242 8.242 7.534 0.708 19427 8091 1 17 . 1 1 74 74 VAL N N 74 114.793 114.793 117.942 -3.149 19427 8092 1 17 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.313 -0.116 19427 8093 1 17 . 1 1 74 74 VAL C C 74 174.015 174.015 174.748 -0.733 19427 8094 1 17 . 1 1 74 74 VAL CA C 74 63.113 63.113 62.869 0.244 19427 8095 1 17 . 1 1 74 74 VAL CB C 74 32.849 32.849 33.706 -0.857 19427 8096 1 17 . 1 1 74 74 VAL H H 74 7.834 7.834 7.859 -0.025 19427 8097 1 17 . 1 1 75 75 LEU N N 75 118.357 118.357 120.873 -2.516 19427 8098 1 17 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.818 0.093 19427 8099 1 17 . 1 1 75 75 LEU C C 75 175.022 175.022 175.520 -0.498 19427 8100 1 17 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.966 -0.334 19427 8101 1 17 . 1 1 75 75 LEU CB C 75 47.158 47.158 44.624 2.534 19427 8102 1 17 . 1 1 75 75 LEU H H 75 6.898 6.898 7.896 -0.998 19427 8103 1 17 . 1 1 76 76 ASP N N 76 122.400 122.400 124.808 -2.408 19427 8104 1 17 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.574 0.029 19427 8105 1 17 . 1 1 76 76 ASP C C 76 176.384 176.384 175.980 0.404 19427 8106 1 17 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.602 -0.219 19427 8107 1 17 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.572 -0.345 19427 8108 1 17 . 1 1 76 76 ASP H H 76 8.412 8.412 8.707 -0.295 19427 8109 1 17 . 1 1 77 77 ALA N N 77 123.828 123.828 127.645 -3.817 19427 8110 1 17 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.077 -0.023 19427 8111 1 17 . 1 1 77 77 ALA C C 77 179.068 179.068 179.607 -0.539 19427 8112 1 17 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.810 -0.079 19427 8113 1 17 . 1 1 77 77 ALA CB C 77 18.749 18.749 19.136 -0.387 19427 8114 1 17 . 1 1 77 77 ALA H H 77 8.601 8.601 8.643 -0.042 19427 8115 1 17 . 1 1 78 78 ASP N N 78 118.882 118.882 119.185 -0.303 19427 8116 1 17 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.466 0.047 19427 8117 1 17 . 1 1 78 78 ASP C C 78 174.868 174.868 178.124 -3.256 19427 8118 1 17 . 1 1 78 78 ASP CA C 78 56.278 56.278 57.215 -0.937 19427 8119 1 17 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.410 0.498 19427 8120 1 17 . 1 1 78 78 ASP H H 78 8.791 8.791 8.911 -0.120 19427 8121 1 17 . 1 1 79 79 ALA N N 79 121.027 121.027 122.253 -1.226 19427 8122 1 17 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.081 -0.080 19427 8123 1 17 . 1 1 79 79 ALA C C 79 178.803 178.803 179.011 -0.208 19427 8124 1 17 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.632 -0.241 19427 8125 1 17 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.292 1.628 19427 8126 1 17 . 1 1 79 79 ALA H H 79 8.287 8.287 7.808 0.479 19427 8127 1 17 . 1 1 80 80 ARG N N 80 115.805 115.805 117.263 -1.458 19427 8128 1 17 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.957 -0.033 19427 8129 1 17 . 1 1 80 80 ARG C C 80 178.254 178.254 178.530 -0.276 19427 8130 1 17 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.582 0.647 19427 8131 1 17 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.374 0.883 19427 8132 1 17 . 1 1 80 80 ARG H H 80 7.689 7.689 7.724 -0.035 19427 8133 1 17 . 1 1 81 81 ARG N N 81 117.554 117.554 118.292 -0.738 19427 8134 1 17 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.193 0.013 19427 8135 1 17 . 1 1 81 81 ARG C C 81 177.214 177.214 178.123 -0.909 19427 8136 1 17 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.246 -0.553 19427 8137 1 17 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.950 0.293 19427 8138 1 17 . 1 1 81 81 ARG H H 81 7.782 7.782 7.646 0.136 19427 8139 1 17 . 1 1 82 82 ALA N N 82 121.590 121.590 123.212 -1.622 19427 8140 1 17 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.223 0.056 19427 8141 1 17 . 1 1 82 82 ALA C C 82 177.798 177.798 178.354 -0.556 19427 8142 1 17 . 1 1 82 82 ALA CA C 82 53.255 53.255 55.526 -2.271 19427 8143 1 17 . 1 1 82 82 ALA CB C 82 19.563 19.563 18.947 0.616 19427 8144 1 17 . 1 1 82 82 ALA H H 82 7.875 7.875 8.283 -0.408 19427 8145 1 17 . 1 1 83 83 VAL N N 83 114.483 114.483 113.566 0.917 19427 8146 1 17 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.281 -0.140 19427 8147 1 17 . 1 1 83 83 VAL C C 83 175.572 175.572 175.268 0.304 19427 8148 1 17 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.279 -0.238 19427 8149 1 17 . 1 1 83 83 VAL CB C 83 32.781 32.781 30.598 2.183 19427 8150 1 17 . 1 1 83 83 VAL H H 83 7.503 7.503 7.873 -0.370 19427 8151 1 17 . 1 1 84 84 ALA N N 84 125.870 125.870 125.341 0.529 19427 8152 1 17 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.459 -0.138 19427 8153 1 17 . 1 1 84 84 ALA C C 84 177.696 177.696 177.721 -0.025 19427 8154 1 17 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.750 0.021 19427 8155 1 17 . 1 1 84 84 ALA CB C 84 19.512 19.512 20.217 -0.705 19427 8156 1 17 . 1 1 84 84 ALA H H 84 7.876 7.876 7.413 0.463 19427 8157 1 17 . 1 1 85 85 SER N N 85 114.965 114.965 115.830 -0.865 19427 8158 1 17 . 1 1 85 85 SER HA H 85 4.396 4.396 4.486 -0.090 19427 8159 1 17 . 1 1 85 85 SER CA C 85 58.393 58.393 57.824 0.569 19427 8160 1 17 . 1 1 85 85 SER CB C 85 63.915 63.915 63.566 0.349 19427 8161 1 17 . 1 1 85 85 SER H H 85 8.521 8.521 7.968 0.553 19427 8162 1 17 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.744 -0.078 19427 8163 1 17 . 1 1 86 86 HIS C C 86 174.868 174.868 175.998 -1.130 19427 8164 1 17 . 1 1 86 86 HIS CA C 86 56.321 56.321 55.372 0.949 19427 8165 1 17 . 1 1 86 86 HIS CB C 86 30.312 30.312 31.196 -0.884 19427 8166 1 17 . 1 1 87 87 ASP N N 87 121.205 121.205 118.677 2.528 19427 8167 1 17 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.369 0.234 19427 8168 1 17 . 1 1 87 87 ASP C C 87 175.917 175.917 175.911 0.006 19427 8169 1 17 . 1 1 87 87 ASP CA C 87 54.577 54.577 56.787 -2.210 19427 8170 1 17 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.257 0.999 19427 8171 1 17 . 1 1 87 87 ASP H H 87 8.326 8.326 9.010 -0.684 19427 8172 1 17 . 1 1 88 88 GLU N N 88 121.167 121.167 122.667 -1.500 19427 8173 1 17 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.428 -0.111 19427 8174 1 17 . 1 1 88 88 GLU C C 88 175.455 175.455 175.334 0.121 19427 8175 1 17 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.111 0.261 19427 8176 1 17 . 1 1 88 88 GLU CB C 88 30.373 30.373 28.427 1.946 19427 8177 1 17 . 1 1 88 88 GLU H H 88 8.352 8.352 8.069 0.283 19427 8178 1 18 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.380 0.021 19427 8179 1 18 . 1 1 5 5 PRO C C 5 176.334 176.334 176.490 -0.156 19427 8180 1 18 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.867 -0.084 19427 8181 1 18 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.040 0.314 19427 8182 1 18 . 1 1 6 6 LYS N N 6 121.980 121.980 122.196 -0.216 19427 8183 1 18 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.764 -0.390 19427 8184 1 18 . 1 1 6 6 LYS C C 6 175.715 175.715 176.382 -0.667 19427 8185 1 18 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.650 0.522 19427 8186 1 18 . 1 1 6 6 LYS CB C 6 33.270 33.270 34.138 -0.868 19427 8187 1 18 . 1 1 6 6 LYS H H 6 8.546 8.546 8.115 0.431 19427 8188 1 18 . 1 1 7 7 LEU N N 7 125.018 125.018 124.272 0.746 19427 8189 1 18 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.579 -0.056 19427 8190 1 18 . 1 1 7 7 LEU C C 7 174.994 174.994 175.411 -0.417 19427 8191 1 18 . 1 1 7 7 LEU CA C 7 54.050 54.050 53.796 0.254 19427 8192 1 18 . 1 1 7 7 LEU CB C 7 43.171 43.171 44.243 -1.072 19427 8193 1 18 . 1 1 7 7 LEU H H 7 8.620 8.620 9.137 -0.517 19427 8194 1 18 . 1 1 8 8 VAL N N 8 121.522 121.522 122.199 -0.677 19427 8195 1 18 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.478 0.069 19427 8196 1 18 . 1 1 8 8 VAL C C 8 175.042 175.042 174.540 0.502 19427 8197 1 18 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.401 -0.195 19427 8198 1 18 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.838 2.758 19427 8199 1 18 . 1 1 8 8 VAL H H 8 8.084 8.084 8.517 -0.433 19427 8200 1 18 . 1 1 9 9 LEU N N 9 126.312 126.312 129.641 -3.329 19427 8201 1 18 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.960 -0.020 19427 8202 1 18 . 1 1 9 9 LEU C C 9 175.831 175.831 174.741 1.090 19427 8203 1 18 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.276 0.270 19427 8204 1 18 . 1 1 9 9 LEU CB C 9 44.233 44.233 45.108 -0.874 19427 8205 1 18 . 1 1 9 9 LEU H H 9 9.137 9.137 9.275 -0.138 19427 8206 1 18 . 1 1 10 10 ASP N N 10 123.236 123.236 127.061 -3.825 19427 8207 1 18 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.850 -0.002 19427 8208 1 18 . 1 1 10 10 ASP C C 10 176.685 176.685 176.841 -0.156 19427 8209 1 18 . 1 1 10 10 ASP CA C 10 53.593 53.593 53.849 -0.256 19427 8210 1 18 . 1 1 10 10 ASP CB C 10 40.820 40.820 42.006 -1.186 19427 8211 1 18 . 1 1 10 10 ASP H H 10 9.002 9.002 8.783 0.219 19427 8212 1 18 . 1 1 11 11 LEU N N 11 124.059 124.059 126.394 -2.335 19427 8213 1 18 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.119 -0.053 19427 8214 1 18 . 1 1 11 11 LEU C C 11 180.169 180.169 178.832 1.337 19427 8215 1 18 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.613 -0.600 19427 8216 1 18 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.168 -1.318 19427 8217 1 18 . 1 1 11 11 LEU H H 11 8.273 8.273 8.945 -0.672 19427 8218 1 18 . 1 1 12 12 GLU N N 12 121.967 121.967 119.695 2.272 19427 8219 1 18 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.089 0.085 19427 8220 1 18 . 1 1 12 12 GLU C C 12 179.719 179.719 178.932 0.787 19427 8221 1 18 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.347 0.281 19427 8222 1 18 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.482 0.078 19427 8223 1 18 . 1 1 12 12 GLU H H 12 8.273 8.273 8.115 0.158 19427 8224 1 18 . 1 1 13 13 ARG N N 13 119.595 119.595 120.694 -1.099 19427 8225 1 18 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.162 0.010 19427 8226 1 18 . 1 1 13 13 ARG C C 13 179.909 179.909 179.361 0.548 19427 8227 1 18 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.960 -0.649 19427 8228 1 18 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.779 -0.224 19427 8229 1 18 . 1 1 13 13 ARG H H 13 8.081 8.081 9.080 -0.999 19427 8230 1 18 . 1 1 14 14 LEU N N 14 120.325 120.325 121.084 -0.759 19427 8231 1 18 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.103 -0.156 19427 8232 1 18 . 1 1 14 14 LEU C C 14 177.166 177.166 178.198 -1.032 19427 8233 1 18 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.768 -0.194 19427 8234 1 18 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.772 0.026 19427 8235 1 18 . 1 1 14 14 LEU H H 14 8.205 8.205 8.042 0.163 19427 8236 1 18 . 1 1 15 15 ALA N N 15 117.835 117.835 117.669 0.166 19427 8237 1 18 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.186 -0.061 19427 8238 1 18 . 1 1 15 15 ALA C C 15 178.500 178.500 178.111 0.389 19427 8239 1 18 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.667 0.653 19427 8240 1 18 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.682 0.030 19427 8241 1 18 . 1 1 15 15 ALA H H 15 7.265 7.265 7.440 -0.175 19427 8242 1 18 . 1 1 16 16 THR N N 16 105.967 105.967 112.555 -6.588 19427 8243 1 18 . 1 1 16 16 THR HA H 16 4.378 4.378 4.247 0.131 19427 8244 1 18 . 1 1 16 16 THR C C 16 174.639 174.639 174.629 0.010 19427 8245 1 18 . 1 1 16 16 THR CA C 16 61.642 61.642 62.559 -0.916 19427 8246 1 18 . 1 1 16 16 THR CB C 16 69.957 69.957 69.522 0.435 19427 8247 1 18 . 1 1 16 16 THR H H 16 7.530 7.530 7.405 0.125 19427 8248 1 18 . 1 1 17 17 VAL N N 17 126.962 126.962 123.787 3.175 19427 8249 1 18 . 1 1 17 17 VAL HA H 17 3.985 3.985 3.993 -0.008 19427 8250 1 18 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.790 0.745 19427 8251 1 18 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.527 0.861 19427 8252 1 18 . 1 1 17 17 VAL H H 17 7.208 7.208 7.270 -0.062 19427 8253 1 18 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.223 0.045 19427 8254 1 18 . 1 1 18 18 PRO C C 18 178.094 178.094 177.381 0.713 19427 8255 1 18 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.260 0.589 19427 8256 1 18 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.295 0.416 19427 8257 1 18 . 1 1 19 19 ALA N N 19 128.383 128.383 128.851 -0.468 19427 8258 1 18 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.932 0.012 19427 8259 1 18 . 1 1 19 19 ALA C C 19 180.008 180.008 179.778 0.230 19427 8260 1 18 . 1 1 19 19 ALA CA C 19 55.317 55.317 55.069 0.248 19427 8261 1 18 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.597 0.317 19427 8262 1 18 . 1 1 19 19 ALA H H 19 8.872 8.872 8.619 0.253 19427 8263 1 18 . 1 1 20 20 GLU N N 20 118.522 118.522 117.201 1.321 19427 8264 1 18 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.081 0.033 19427 8265 1 18 . 1 1 20 20 GLU C C 20 177.573 177.573 177.466 0.107 19427 8266 1 18 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.437 1.199 19427 8267 1 18 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.268 -0.430 19427 8268 1 18 . 1 1 20 20 GLU H H 20 9.459 9.459 8.855 0.604 19427 8269 1 18 . 1 1 21 21 LYS N N 21 115.147 115.147 117.021 -1.874 19427 8270 1 18 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.347 0.305 19427 8271 1 18 . 1 1 21 21 LYS C C 21 177.045 177.045 177.148 -0.103 19427 8272 1 18 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.044 -0.057 19427 8273 1 18 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.801 0.151 19427 8274 1 18 . 1 1 21 21 LYS H H 21 7.441 7.441 7.645 -0.204 19427 8275 1 18 . 1 1 22 22 ALA N N 22 119.898 119.898 121.835 -1.937 19427 8276 1 18 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.197 -0.053 19427 8277 1 18 . 1 1 22 22 ALA C C 22 177.520 177.520 179.210 -1.690 19427 8278 1 18 . 1 1 22 22 ALA CA C 22 53.181 53.181 54.373 -1.192 19427 8279 1 18 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.646 1.585 19427 8280 1 18 . 1 1 22 22 ALA H H 22 8.096 8.096 8.302 -0.206 19427 8281 1 18 . 1 1 23 23 GLY N N 23 107.148 107.148 107.732 -0.584 19427 8282 1 18 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.130 0.882 19427 8283 1 18 . 1 1 23 23 GLY H H 23 8.484 8.484 8.376 0.108 19427 8284 1 18 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.352 -0.178 19427 8285 1 18 . 1 1 24 24 PRO C C 24 179.318 179.318 178.139 1.179 19427 8286 1 18 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.497 0.456 19427 8287 1 18 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.428 -0.057 19427 8288 1 18 . 1 1 25 25 LEU N N 25 118.416 118.416 119.101 -0.685 19427 8289 1 18 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.645 -0.289 19427 8290 1 18 . 1 1 25 25 LEU C C 25 177.871 177.871 178.848 -0.977 19427 8291 1 18 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.937 0.998 19427 8292 1 18 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.691 0.659 19427 8293 1 18 . 1 1 25 25 LEU H H 25 7.394 7.394 7.391 0.003 19427 8294 1 18 . 1 1 26 26 GLN N N 26 119.819 119.819 119.280 0.539 19427 8295 1 18 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.995 -0.101 19427 8296 1 18 . 1 1 26 26 GLN C C 26 179.865 179.865 178.680 1.185 19427 8297 1 18 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.723 0.048 19427 8298 1 18 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.422 -0.868 19427 8299 1 18 . 1 1 26 26 GLN H H 26 8.885 8.885 8.641 0.244 19427 8300 1 18 . 1 1 27 27 ARG N N 27 119.761 119.761 120.594 -0.833 19427 8301 1 18 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.039 0.102 19427 8302 1 18 . 1 1 27 27 ARG C C 27 178.950 178.950 178.603 0.347 19427 8303 1 18 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.853 -0.217 19427 8304 1 18 . 1 1 27 27 ARG CB C 27 30.416 30.416 30.221 0.195 19427 8305 1 18 . 1 1 27 27 ARG H H 27 8.694 8.694 8.208 0.486 19427 8306 1 18 . 1 1 28 28 TYR N N 28 122.540 122.540 120.848 1.692 19427 8307 1 18 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.148 0.023 19427 8308 1 18 . 1 1 28 28 TYR C C 28 177.843 177.843 177.265 0.578 19427 8309 1 18 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.672 0.606 19427 8310 1 18 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.459 1.254 19427 8311 1 18 . 1 1 28 28 TYR H H 28 8.211 8.211 8.302 -0.091 19427 8312 1 18 . 1 1 29 29 ALA N N 29 120.477 120.477 121.283 -0.806 19427 8313 1 18 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.961 -0.199 19427 8314 1 18 . 1 1 29 29 ALA C C 29 178.739 178.739 178.851 -0.112 19427 8315 1 18 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.335 -0.150 19427 8316 1 18 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.199 -0.270 19427 8317 1 18 . 1 1 29 29 ALA H H 29 9.065 9.065 8.738 0.327 19427 8318 1 18 . 1 1 30 30 ALA N N 30 118.596 118.596 120.708 -2.112 19427 8319 1 18 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.934 0.353 19427 8320 1 18 . 1 1 30 30 ALA C C 30 180.895 180.895 179.640 1.255 19427 8321 1 18 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.280 -0.204 19427 8322 1 18 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.152 -0.066 19427 8323 1 18 . 1 1 30 30 ALA H H 30 7.741 7.741 8.429 -0.688 19427 8324 1 18 . 1 1 31 31 THR N N 31 116.024 116.024 115.780 0.244 19427 8325 1 18 . 1 1 31 31 THR HA H 31 3.995 3.995 3.976 0.019 19427 8326 1 18 . 1 1 31 31 THR C C 31 176.687 176.687 176.374 0.313 19427 8327 1 18 . 1 1 31 31 THR CA C 31 66.452 66.452 66.849 -0.397 19427 8328 1 18 . 1 1 31 31 THR CB C 31 68.867 68.867 68.459 0.408 19427 8329 1 18 . 1 1 31 31 THR H H 31 7.914 7.914 8.021 -0.107 19427 8330 1 18 . 1 1 32 32 ILE N N 32 121.094 121.094 121.938 -0.844 19427 8331 1 18 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.486 0.329 19427 8332 1 18 . 1 1 32 32 ILE C C 32 178.583 178.583 177.886 0.697 19427 8333 1 18 . 1 1 32 32 ILE CA C 32 64.153 64.153 64.355 -0.202 19427 8334 1 18 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.141 0.799 19427 8335 1 18 . 1 1 32 32 ILE H H 32 7.846 7.846 8.384 -0.538 19427 8336 1 18 . 1 1 33 33 GLN N N 33 119.832 119.832 118.916 0.916 19427 8337 1 18 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.987 -0.148 19427 8338 1 18 . 1 1 33 33 GLN C C 33 178.264 178.264 178.858 -0.594 19427 8339 1 18 . 1 1 33 33 GLN CA C 33 59.858 59.858 58.491 1.367 19427 8340 1 18 . 1 1 33 33 GLN CB C 33 29.365 29.365 27.688 1.677 19427 8341 1 18 . 1 1 33 33 GLN H H 33 8.374 8.374 8.620 -0.246 19427 8342 1 18 . 1 1 34 34 SER N N 34 112.726 112.726 114.662 -1.936 19427 8343 1 18 . 1 1 34 34 SER HA H 34 4.333 4.333 3.984 0.349 19427 8344 1 18 . 1 1 34 34 SER C C 34 176.817 176.817 176.501 0.316 19427 8345 1 18 . 1 1 34 34 SER CA C 34 60.915 60.915 61.459 -0.544 19427 8346 1 18 . 1 1 34 34 SER CB C 34 63.235 63.235 63.224 0.011 19427 8347 1 18 . 1 1 34 34 SER H H 34 7.816 7.816 7.614 0.202 19427 8348 1 18 . 1 1 35 35 GLN N N 35 120.724 120.724 119.592 1.132 19427 8349 1 18 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.131 0.063 19427 8350 1 18 . 1 1 35 35 GLN C C 35 177.930 177.930 177.899 0.031 19427 8351 1 18 . 1 1 35 35 GLN CA C 35 58.109 58.109 58.058 0.051 19427 8352 1 18 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.642 0.545 19427 8353 1 18 . 1 1 35 35 GLN H H 35 8.034 8.034 8.218 -0.184 19427 8354 1 18 . 1 1 36 36 ARG N N 36 116.267 116.267 118.361 -2.094 19427 8355 1 18 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.311 0.087 19427 8356 1 18 . 1 1 36 36 ARG C C 36 177.013 177.013 177.168 -0.155 19427 8357 1 18 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.528 -0.104 19427 8358 1 18 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.847 0.571 19427 8359 1 18 . 1 1 36 36 ARG H H 36 8.091 8.091 8.402 -0.311 19427 8360 1 18 . 1 1 37 37 GLY N N 37 109.299 109.299 108.007 1.292 19427 8361 1 18 . 1 1 37 37 GLY C C 37 173.661 173.661 173.889 -0.228 19427 8362 1 18 . 1 1 37 37 GLY CA C 37 46.270 46.270 44.879 1.391 19427 8363 1 18 . 1 1 37 37 GLY H H 37 7.972 7.972 7.688 0.284 19427 8364 1 18 . 1 1 38 38 ASP N N 38 119.246 119.246 121.435 -2.189 19427 8365 1 18 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.827 -0.112 19427 8366 1 18 . 1 1 38 38 ASP C C 38 175.405 175.405 175.294 0.111 19427 8367 1 18 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.253 -0.082 19427 8368 1 18 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.156 -0.516 19427 8369 1 18 . 1 1 38 38 ASP H H 38 7.838 7.838 7.771 0.067 19427 8370 1 18 . 1 1 39 39 TYR N N 39 121.210 121.210 123.722 -2.512 19427 8371 1 18 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.495 0.032 19427 8372 1 18 . 1 1 39 39 TYR C C 39 176.937 176.937 175.030 1.907 19427 8373 1 18 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.678 0.450 19427 8374 1 18 . 1 1 39 39 TYR CB C 39 38.588 38.588 37.410 1.178 19427 8375 1 18 . 1 1 39 39 TYR H H 39 8.202 8.202 8.612 -0.410 19427 8376 1 18 . 1 1 40 40 ASN N N 40 120.622 120.622 120.899 -0.277 19427 8377 1 18 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.736 -0.117 19427 8378 1 18 . 1 1 40 40 ASN C C 40 175.853 175.853 175.898 -0.045 19427 8379 1 18 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.654 1.729 19427 8380 1 18 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.655 0.851 19427 8381 1 18 . 1 1 40 40 ASN H H 40 8.393 8.393 7.872 0.521 19427 8382 1 18 . 1 1 41 41 GLY N N 41 107.971 107.971 113.514 -5.543 19427 8383 1 18 . 1 1 41 41 GLY C C 41 173.926 173.926 175.441 -1.515 19427 8384 1 18 . 1 1 41 41 GLY CA C 41 45.930 45.930 46.911 -0.981 19427 8385 1 18 . 1 1 41 41 GLY H H 41 8.103 8.103 8.946 -0.843 19427 8386 1 18 . 1 1 42 42 LYS N N 42 119.472 119.472 119.393 0.079 19427 8387 1 18 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.350 0.139 19427 8388 1 18 . 1 1 42 42 LYS C C 42 176.201 176.201 175.895 0.306 19427 8389 1 18 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.715 -0.006 19427 8390 1 18 . 1 1 42 42 LYS CB C 42 34.345 34.345 32.794 1.551 19427 8391 1 18 . 1 1 42 42 LYS H H 42 8.652 8.652 8.347 0.305 19427 8392 1 18 . 1 1 43 43 VAL N N 43 112.852 112.852 112.047 0.805 19427 8393 1 18 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.186 0.144 19427 8394 1 18 . 1 1 43 43 VAL C C 43 174.906 174.906 174.585 0.321 19427 8395 1 18 . 1 1 43 43 VAL CA C 43 59.264 59.264 58.871 0.393 19427 8396 1 18 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.345 0.608 19427 8397 1 18 . 1 1 43 43 VAL H H 43 7.840 7.840 7.449 0.391 19427 8398 1 18 . 1 1 44 44 LEU N N 44 123.642 123.642 122.018 1.624 19427 8399 1 18 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.826 -0.037 19427 8400 1 18 . 1 1 44 44 LEU C C 44 175.260 175.260 175.015 0.245 19427 8401 1 18 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.028 -0.152 19427 8402 1 18 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.132 1.366 19427 8403 1 18 . 1 1 44 44 LEU H H 44 8.610 8.610 9.042 -0.432 19427 8404 1 18 . 1 1 45 45 SER N N 45 124.267 124.267 122.308 1.959 19427 8405 1 18 . 1 1 45 45 SER HA H 45 5.052 5.052 5.557 -0.505 19427 8406 1 18 . 1 1 45 45 SER C C 45 174.246 174.246 174.284 -0.038 19427 8407 1 18 . 1 1 45 45 SER CA C 45 58.852 58.852 55.994 2.858 19427 8408 1 18 . 1 1 45 45 SER CB C 45 63.509 63.509 63.377 0.132 19427 8409 1 18 . 1 1 45 45 SER H H 45 9.111 9.111 8.457 0.654 19427 8410 1 18 . 1 1 46 46 ILE N N 46 118.924 118.924 119.870 -0.946 19427 8411 1 18 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.880 -0.100 19427 8412 1 18 . 1 1 46 46 ILE C C 46 174.199 174.199 174.416 -0.217 19427 8413 1 18 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.041 0.561 19427 8414 1 18 . 1 1 46 46 ILE CB C 46 41.595 41.595 41.711 -0.116 19427 8415 1 18 . 1 1 46 46 ILE H H 46 8.542 8.542 9.042 -0.500 19427 8416 1 18 . 1 1 47 47 ARG N N 47 119.572 119.572 119.030 0.542 19427 8417 1 18 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.866 -0.001 19427 8418 1 18 . 1 1 47 47 ARG C C 47 178.511 178.511 178.221 0.290 19427 8419 1 18 . 1 1 47 47 ARG CA C 47 54.508 54.508 53.855 0.653 19427 8420 1 18 . 1 1 47 47 ARG CB C 47 33.318 33.318 32.143 1.175 19427 8421 1 18 . 1 1 47 47 ARG H H 47 9.488 9.488 9.681 -0.193 19427 8422 1 18 . 1 1 48 48 GLN N N 48 122.809 122.809 120.669 2.140 19427 8423 1 18 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.025 -0.207 19427 8424 1 18 . 1 1 48 48 GLN C C 48 178.972 178.972 176.902 2.070 19427 8425 1 18 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.216 1.311 19427 8426 1 18 . 1 1 48 48 GLN CB C 48 28.284 28.284 27.594 0.690 19427 8427 1 18 . 1 1 48 48 GLN H H 48 9.350 9.350 9.010 0.340 19427 8428 1 18 . 1 1 49 49 ASP N N 49 115.682 115.682 119.103 -3.421 19427 8429 1 18 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.397 -0.037 19427 8430 1 18 . 1 1 49 49 ASP C C 49 178.758 178.758 177.258 1.500 19427 8431 1 18 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.661 0.696 19427 8432 1 18 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.214 0.270 19427 8433 1 18 . 1 1 49 49 ASP H H 49 8.855 8.855 8.506 0.349 19427 8434 1 18 . 1 1 50 50 ASP N N 50 117.926 117.926 121.692 -3.766 19427 8435 1 18 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.594 0.018 19427 8436 1 18 . 1 1 50 50 ASP C C 50 177.865 177.865 178.811 -0.946 19427 8437 1 18 . 1 1 50 50 ASP CA C 50 58.075 58.075 57.003 1.072 19427 8438 1 18 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.177 0.462 19427 8439 1 18 . 1 1 50 50 ASP H H 50 7.519 7.519 7.409 0.110 19427 8440 1 18 . 1 1 51 51 LEU N N 51 118.893 118.893 121.693 -2.800 19427 8441 1 18 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.939 -0.027 19427 8442 1 18 . 1 1 51 51 LEU C C 51 178.254 178.254 178.221 0.033 19427 8443 1 18 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.855 0.274 19427 8444 1 18 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.007 -0.610 19427 8445 1 18 . 1 1 51 51 LEU H H 51 7.444 7.444 8.041 -0.597 19427 8446 1 18 . 1 1 52 52 ARG N N 52 117.366 117.366 117.497 -0.131 19427 8447 1 18 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.885 0.025 19427 8448 1 18 . 1 1 52 52 ARG C C 52 178.886 178.886 178.363 0.523 19427 8449 1 18 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.898 0.387 19427 8450 1 18 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.171 -0.353 19427 8451 1 18 . 1 1 52 52 ARG H H 52 7.757 7.757 8.477 -0.720 19427 8452 1 18 . 1 1 53 53 THR N N 53 118.266 118.266 116.827 1.439 19427 8453 1 18 . 1 1 53 53 THR HA H 53 3.924 3.924 4.036 -0.112 19427 8454 1 18 . 1 1 53 53 THR C C 53 176.626 176.626 176.346 0.280 19427 8455 1 18 . 1 1 53 53 THR CA C 53 67.001 67.001 66.861 0.140 19427 8456 1 18 . 1 1 53 53 THR CB C 53 68.759 68.759 68.352 0.408 19427 8457 1 18 . 1 1 53 53 THR H H 53 7.973 7.973 7.452 0.521 19427 8458 1 18 . 1 1 54 54 LEU N N 54 122.030 122.030 121.144 0.886 19427 8459 1 18 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.332 0.477 19427 8460 1 18 . 1 1 54 54 LEU C C 54 177.755 177.755 178.038 -0.283 19427 8461 1 18 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.875 -0.052 19427 8462 1 18 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.965 2.124 19427 8463 1 18 . 1 1 54 54 LEU H H 54 8.355 8.355 7.707 0.648 19427 8464 1 18 . 1 1 55 55 ALA N N 55 122.634 122.634 120.248 2.386 19427 8465 1 18 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.982 -0.090 19427 8466 1 18 . 1 1 55 55 ALA C C 55 179.192 179.192 179.130 0.062 19427 8467 1 18 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.262 1.243 19427 8468 1 18 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.983 -0.819 19427 8469 1 18 . 1 1 55 55 ALA H H 55 8.195 8.195 7.653 0.542 19427 8470 1 18 . 1 1 56 56 VAL N N 56 118.079 118.079 117.369 0.710 19427 8471 1 18 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.793 0.068 19427 8472 1 18 . 1 1 56 56 VAL C C 56 180.389 180.389 177.585 2.804 19427 8473 1 18 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.569 1.018 19427 8474 1 18 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.599 0.094 19427 8475 1 18 . 1 1 56 56 VAL H H 56 7.402 7.402 7.099 0.303 19427 8476 1 18 . 1 1 57 57 ILE N N 57 122.536 122.536 118.379 4.157 19427 8477 1 18 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.721 -0.117 19427 8478 1 18 . 1 1 57 57 ILE C C 57 177.942 177.942 177.714 0.228 19427 8479 1 18 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.455 1.388 19427 8480 1 18 . 1 1 57 57 ILE CB C 57 38.386 38.386 38.160 0.226 19427 8481 1 18 . 1 1 57 57 ILE H H 57 7.893 7.893 7.704 0.189 19427 8482 1 18 . 1 1 58 58 TYR N N 58 117.060 117.060 117.716 -0.656 19427 8483 1 18 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.505 -0.374 19427 8484 1 18 . 1 1 58 58 TYR C C 58 174.728 174.728 175.763 -1.035 19427 8485 1 18 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.031 4.733 19427 8486 1 18 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.714 1.313 19427 8487 1 18 . 1 1 58 58 TYR H H 58 8.319 8.319 7.650 0.669 19427 8488 1 18 . 1 1 59 59 ASP N N 59 122.545 122.545 119.201 3.344 19427 8489 1 18 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.387 -0.037 19427 8490 1 18 . 1 1 59 59 ASP C C 59 174.853 174.853 174.975 -0.122 19427 8491 1 18 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.404 -0.291 19427 8492 1 18 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.519 0.293 19427 8493 1 18 . 1 1 59 59 ASP H H 59 8.177 8.177 8.028 0.149 19427 8494 1 18 . 1 1 60 60 GLN N N 60 116.007 116.007 119.648 -3.641 19427 8495 1 18 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.552 0.178 19427 8496 1 18 . 1 1 60 60 GLN C C 60 174.853 174.853 174.524 0.329 19427 8497 1 18 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.148 -0.635 19427 8498 1 18 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.688 1.696 19427 8499 1 18 . 1 1 60 60 GLN H H 60 8.424 8.424 8.210 0.214 19427 8500 1 18 . 1 1 61 61 SER N N 61 116.009 116.009 118.409 -2.400 19427 8501 1 18 . 1 1 61 61 SER HA H 61 4.783 4.783 4.474 0.309 19427 8502 1 18 . 1 1 61 61 SER CA C 61 56.443 56.443 57.662 -1.219 19427 8503 1 18 . 1 1 61 61 SER CB C 61 62.811 62.811 63.079 -0.268 19427 8504 1 18 . 1 1 61 61 SER H H 61 8.424 8.424 8.594 -0.170 19427 8505 1 18 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.118 -0.082 19427 8506 1 18 . 1 1 62 62 PRO C C 62 179.161 179.161 178.479 0.682 19427 8507 1 18 . 1 1 62 62 PRO CA C 62 66.496 66.496 66.039 0.457 19427 8508 1 18 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.675 0.105 19427 8509 1 18 . 1 1 63 63 SER N N 63 114.103 114.103 113.465 0.638 19427 8510 1 18 . 1 1 63 63 SER HA H 63 4.838 4.838 4.109 0.729 19427 8511 1 18 . 1 1 63 63 SER C C 63 176.141 176.141 176.683 -0.542 19427 8512 1 18 . 1 1 63 63 SER CB C 63 62.293 62.293 62.340 -0.047 19427 8513 1 18 . 1 1 63 63 SER H H 63 8.596 8.596 8.388 0.208 19427 8514 1 18 . 1 1 64 64 VAL N N 64 125.461 125.461 122.461 3.000 19427 8515 1 18 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.712 -0.151 19427 8516 1 18 . 1 1 64 64 VAL C C 64 178.754 178.754 177.185 1.569 19427 8517 1 18 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.122 1.310 19427 8518 1 18 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.582 0.435 19427 8519 1 18 . 1 1 64 64 VAL H H 64 7.381 7.381 7.538 -0.157 19427 8520 1 18 . 1 1 65 65 LEU N N 65 121.843 121.843 121.278 0.565 19427 8521 1 18 . 1 1 65 65 LEU HA H 65 3.899 3.899 3.947 -0.048 19427 8522 1 18 . 1 1 65 65 LEU C C 65 178.836 178.836 178.299 0.537 19427 8523 1 18 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.643 -1.331 19427 8524 1 18 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.781 0.475 19427 8525 1 18 . 1 1 65 65 LEU H H 65 8.437 8.437 8.734 -0.297 19427 8526 1 18 . 1 1 66 66 THR N N 66 115.794 115.794 115.112 0.682 19427 8527 1 18 . 1 1 66 66 THR HA H 66 3.321 3.321 3.865 -0.544 19427 8528 1 18 . 1 1 66 66 THR C C 66 175.591 175.591 176.883 -1.292 19427 8529 1 18 . 1 1 66 66 THR CA C 66 69.056 69.056 66.984 2.072 19427 8530 1 18 . 1 1 66 66 THR CB C 66 67.992 67.992 68.202 -0.210 19427 8531 1 18 . 1 1 66 66 THR H H 66 8.079 8.079 8.194 -0.115 19427 8532 1 18 . 1 1 67 67 GLU N N 67 118.543 118.543 121.176 -2.633 19427 8533 1 18 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.921 -0.080 19427 8534 1 18 . 1 1 67 67 GLU C C 67 179.342 179.342 179.164 0.178 19427 8535 1 18 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.530 -0.305 19427 8536 1 18 . 1 1 67 67 GLU CB C 67 28.921 28.921 28.876 0.045 19427 8537 1 18 . 1 1 67 67 GLU H H 67 7.594 7.594 7.980 -0.386 19427 8538 1 18 . 1 1 68 68 GLN N N 68 120.882 120.882 119.268 1.614 19427 8539 1 18 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.608 0.092 19427 8540 1 18 . 1 1 68 68 GLN C C 68 177.403 177.403 177.791 -0.388 19427 8541 1 18 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.010 0.384 19427 8542 1 18 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.862 0.512 19427 8543 1 18 . 1 1 68 68 GLN H H 68 7.847 7.847 8.270 -0.423 19427 8544 1 18 . 1 1 69 69 LEU N N 69 118.421 118.421 119.445 -1.024 19427 8545 1 18 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.593 -0.120 19427 8546 1 18 . 1 1 69 69 LEU C C 69 180.177 180.177 179.018 1.159 19427 8547 1 18 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.454 0.959 19427 8548 1 18 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.923 0.048 19427 8549 1 18 . 1 1 69 69 LEU H H 69 7.986 7.986 7.338 0.648 19427 8550 1 18 . 1 1 70 70 ILE N N 70 121.346 121.346 119.438 1.908 19427 8551 1 18 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.836 0.324 19427 8552 1 18 . 1 1 70 70 ILE C C 70 180.910 180.910 178.663 2.247 19427 8553 1 18 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.809 0.241 19427 8554 1 18 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.837 0.509 19427 8555 1 18 . 1 1 70 70 ILE H H 70 8.262 8.262 8.099 0.163 19427 8556 1 18 . 1 1 71 71 SER N N 71 120.236 120.236 115.628 4.608 19427 8557 1 18 . 1 1 71 71 SER HA H 71 4.273 4.273 4.210 0.063 19427 8558 1 18 . 1 1 71 71 SER C C 71 177.045 177.045 175.972 1.073 19427 8559 1 18 . 1 1 71 71 SER CA C 71 62.544 62.544 61.520 1.024 19427 8560 1 18 . 1 1 71 71 SER CB C 71 62.839 62.839 62.858 -0.019 19427 8561 1 18 . 1 1 71 71 SER H H 71 8.388 8.388 8.092 0.296 19427 8562 1 18 . 1 1 72 72 TRP N N 72 119.364 119.364 118.341 1.023 19427 8563 1 18 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.739 0.187 19427 8564 1 18 . 1 1 72 72 TRP C C 72 176.839 176.839 176.818 0.021 19427 8565 1 18 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.494 0.270 19427 8566 1 18 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.406 1.858 19427 8567 1 18 . 1 1 72 72 TRP H H 72 8.066 8.066 7.818 0.248 19427 8568 1 18 . 1 1 73 73 GLY N N 73 106.514 106.514 106.133 0.381 19427 8569 1 18 . 1 1 73 73 GLY C C 73 174.697 174.697 175.266 -0.569 19427 8570 1 18 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.333 -0.930 19427 8571 1 18 . 1 1 73 73 GLY H H 73 8.242 8.242 7.674 0.568 19427 8572 1 18 . 1 1 74 74 VAL N N 74 114.793 114.793 116.986 -2.193 19427 8573 1 18 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.189 0.008 19427 8574 1 18 . 1 1 74 74 VAL C C 74 174.015 174.015 175.061 -1.046 19427 8575 1 18 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.304 -0.191 19427 8576 1 18 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.787 0.062 19427 8577 1 18 . 1 1 74 74 VAL H H 74 7.834 7.834 8.107 -0.273 19427 8578 1 18 . 1 1 75 75 LEU N N 75 118.357 118.357 120.083 -1.726 19427 8579 1 18 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.092 -0.181 19427 8580 1 18 . 1 1 75 75 LEU C C 75 175.022 175.022 175.548 -0.526 19427 8581 1 18 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.694 -0.062 19427 8582 1 18 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.561 1.597 19427 8583 1 18 . 1 1 75 75 LEU H H 75 6.898 6.898 7.480 -0.582 19427 8584 1 18 . 1 1 76 76 ASP N N 76 122.400 122.400 124.083 -1.683 19427 8585 1 18 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.686 -0.083 19427 8586 1 18 . 1 1 76 76 ASP C C 76 176.384 176.384 175.988 0.396 19427 8587 1 18 . 1 1 76 76 ASP CA C 76 54.383 54.383 55.408 -1.025 19427 8588 1 18 . 1 1 76 76 ASP CB C 76 43.227 43.227 42.232 0.995 19427 8589 1 18 . 1 1 76 76 ASP H H 76 8.412 8.412 8.668 -0.256 19427 8590 1 18 . 1 1 77 77 ALA N N 77 123.828 123.828 124.393 -0.565 19427 8591 1 18 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.055 -0.001 19427 8592 1 18 . 1 1 77 77 ALA C C 77 179.068 179.068 178.698 0.370 19427 8593 1 18 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.950 -0.220 19427 8594 1 18 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.912 -0.163 19427 8595 1 18 . 1 1 77 77 ALA H H 77 8.601 8.601 8.559 0.042 19427 8596 1 18 . 1 1 78 78 ASP N N 78 118.882 118.882 118.788 0.094 19427 8597 1 18 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.410 0.103 19427 8598 1 18 . 1 1 78 78 ASP C C 78 174.868 174.868 177.649 -2.781 19427 8599 1 18 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.304 -0.026 19427 8600 1 18 . 1 1 78 78 ASP CB C 78 40.908 40.908 39.831 1.077 19427 8601 1 18 . 1 1 78 78 ASP H H 78 8.791 8.791 8.650 0.141 19427 8602 1 18 . 1 1 79 79 ALA N N 79 121.027 121.027 123.382 -2.355 19427 8603 1 18 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.034 -0.033 19427 8604 1 18 . 1 1 79 79 ALA C C 79 178.803 178.803 179.389 -0.586 19427 8605 1 18 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.426 -0.035 19427 8606 1 18 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.005 1.915 19427 8607 1 18 . 1 1 79 79 ALA H H 79 8.287 8.287 8.208 0.079 19427 8608 1 18 . 1 1 80 80 ARG N N 80 115.805 115.805 117.149 -1.344 19427 8609 1 18 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.958 -0.034 19427 8610 1 18 . 1 1 80 80 ARG C C 80 178.254 178.254 177.715 0.539 19427 8611 1 18 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.339 0.890 19427 8612 1 18 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.588 0.669 19427 8613 1 18 . 1 1 80 80 ARG H H 80 7.689 7.689 7.830 -0.141 19427 8614 1 18 . 1 1 81 81 ARG N N 81 117.554 117.554 119.958 -2.404 19427 8615 1 18 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.174 0.032 19427 8616 1 18 . 1 1 81 81 ARG C C 81 177.214 177.214 178.165 -0.951 19427 8617 1 18 . 1 1 81 81 ARG CA C 81 57.693 57.693 57.453 0.240 19427 8618 1 18 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.544 0.698 19427 8619 1 18 . 1 1 81 81 ARG H H 81 7.782 7.782 8.147 -0.365 19427 8620 1 18 . 1 1 82 82 ALA N N 82 121.590 121.590 121.780 -0.190 19427 8621 1 18 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.210 0.069 19427 8622 1 18 . 1 1 82 82 ALA C C 82 177.798 177.798 177.555 0.243 19427 8623 1 18 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.005 -0.750 19427 8624 1 18 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.355 0.208 19427 8625 1 18 . 1 1 82 82 ALA H H 82 7.875 7.875 7.775 0.100 19427 8626 1 18 . 1 1 83 83 VAL N N 83 114.483 114.483 117.166 -2.683 19427 8627 1 18 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.423 -0.282 19427 8628 1 18 . 1 1 83 83 VAL C C 83 175.572 175.572 174.473 1.099 19427 8629 1 18 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.443 -0.402 19427 8630 1 18 . 1 1 83 83 VAL CB C 83 32.781 32.781 33.884 -1.103 19427 8631 1 18 . 1 1 83 83 VAL H H 83 7.503 7.503 7.211 0.292 19427 8632 1 18 . 1 1 84 84 ALA N N 84 125.870 125.870 131.556 -5.686 19427 8633 1 18 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.736 -0.414 19427 8634 1 18 . 1 1 84 84 ALA C C 84 177.696 177.696 176.960 0.736 19427 8635 1 18 . 1 1 84 84 ALA CA C 84 52.771 52.771 50.967 1.804 19427 8636 1 18 . 1 1 84 84 ALA CB C 84 19.512 19.512 16.794 2.718 19427 8637 1 18 . 1 1 84 84 ALA H H 84 7.876 7.876 8.339 -0.463 19427 8638 1 18 . 1 1 85 85 SER N N 85 114.965 114.965 117.421 -2.456 19427 8639 1 18 . 1 1 85 85 SER HA H 85 4.396 4.396 3.928 0.468 19427 8640 1 18 . 1 1 85 85 SER CA C 85 58.393 58.393 61.135 -2.742 19427 8641 1 18 . 1 1 85 85 SER CB C 85 63.915 63.915 62.211 1.704 19427 8642 1 18 . 1 1 85 85 SER H H 85 8.521 8.521 8.612 -0.091 19427 8643 1 18 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.281 0.385 19427 8644 1 18 . 1 1 86 86 HIS C C 86 174.868 174.868 174.962 -0.094 19427 8645 1 18 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.963 -0.642 19427 8646 1 18 . 1 1 86 86 HIS CB C 86 30.312 30.312 27.917 2.395 19427 8647 1 18 . 1 1 87 87 ASP N N 87 121.205 121.205 119.435 1.770 19427 8648 1 18 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.540 0.063 19427 8649 1 18 . 1 1 87 87 ASP C C 87 175.917 175.917 177.261 -1.344 19427 8650 1 18 . 1 1 87 87 ASP CA C 87 54.577 54.577 55.373 -0.796 19427 8651 1 18 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.058 -0.802 19427 8652 1 18 . 1 1 87 87 ASP H H 87 8.326 8.326 8.129 0.197 19427 8653 1 18 . 1 1 88 88 GLU N N 88 121.167 121.167 116.983 4.184 19427 8654 1 18 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.364 -0.047 19427 8655 1 18 . 1 1 88 88 GLU C C 88 175.455 175.455 175.035 0.420 19427 8656 1 18 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.312 0.060 19427 8657 1 18 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.049 0.324 19427 8658 1 18 . 1 1 88 88 GLU H H 88 8.352 8.352 8.430 -0.078 19427 8659 1 19 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.334 0.067 19427 8660 1 19 . 1 1 5 5 PRO C C 5 176.334 176.334 176.017 0.317 19427 8661 1 19 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.121 -0.338 19427 8662 1 19 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.857 0.497 19427 8663 1 19 . 1 1 6 6 LYS N N 6 121.980 121.980 124.034 -2.054 19427 8664 1 19 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.583 -0.209 19427 8665 1 19 . 1 1 6 6 LYS C C 6 175.715 175.715 176.332 -0.617 19427 8666 1 19 . 1 1 6 6 LYS CA C 6 56.172 56.172 54.814 1.358 19427 8667 1 19 . 1 1 6 6 LYS CB C 6 33.270 33.270 32.788 0.482 19427 8668 1 19 . 1 1 6 6 LYS H H 6 8.546 8.546 8.247 0.299 19427 8669 1 19 . 1 1 7 7 LEU N N 7 125.018 125.018 128.643 -3.625 19427 8670 1 19 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.516 0.007 19427 8671 1 19 . 1 1 7 7 LEU C C 7 174.994 174.994 175.610 -0.616 19427 8672 1 19 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.181 -0.131 19427 8673 1 19 . 1 1 7 7 LEU CB C 7 43.171 43.171 42.502 0.670 19427 8674 1 19 . 1 1 7 7 LEU H H 7 8.620 8.620 8.994 -0.374 19427 8675 1 19 . 1 1 8 8 VAL N N 8 121.522 121.522 125.628 -4.106 19427 8676 1 19 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.253 0.294 19427 8677 1 19 . 1 1 8 8 VAL C C 8 175.042 175.042 174.743 0.299 19427 8678 1 19 . 1 1 8 8 VAL CA C 8 61.206 61.206 62.158 -0.952 19427 8679 1 19 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.090 2.506 19427 8680 1 19 . 1 1 8 8 VAL H H 8 8.084 8.084 8.671 -0.587 19427 8681 1 19 . 1 1 9 9 LEU N N 9 126.312 126.312 130.071 -3.759 19427 8682 1 19 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.644 0.296 19427 8683 1 19 . 1 1 9 9 LEU C C 9 175.831 175.831 174.675 1.156 19427 8684 1 19 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.666 -0.120 19427 8685 1 19 . 1 1 9 9 LEU CB C 9 44.233 44.233 44.014 0.219 19427 8686 1 19 . 1 1 9 9 LEU H H 9 9.137 9.137 9.182 -0.045 19427 8687 1 19 . 1 1 10 10 ASP N N 10 123.236 123.236 127.982 -4.746 19427 8688 1 19 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.881 -0.033 19427 8689 1 19 . 1 1 10 10 ASP C C 10 176.685 176.685 177.019 -0.334 19427 8690 1 19 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.205 -0.612 19427 8691 1 19 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.771 -0.951 19427 8692 1 19 . 1 1 10 10 ASP H H 10 9.002 9.002 8.172 0.830 19427 8693 1 19 . 1 1 11 11 LEU N N 11 124.059 124.059 126.891 -2.832 19427 8694 1 19 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.043 0.023 19427 8695 1 19 . 1 1 11 11 LEU C C 11 180.169 180.169 178.776 1.393 19427 8696 1 19 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.874 -0.861 19427 8697 1 19 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.116 -1.266 19427 8698 1 19 . 1 1 11 11 LEU H H 11 8.273 8.273 9.004 -0.731 19427 8699 1 19 . 1 1 12 12 GLU N N 12 121.967 121.967 118.386 3.581 19427 8700 1 19 . 1 1 12 12 GLU HA H 12 4.174 4.174 3.972 0.202 19427 8701 1 19 . 1 1 12 12 GLU C C 12 179.719 179.719 178.723 0.996 19427 8702 1 19 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.370 0.258 19427 8703 1 19 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.581 -0.021 19427 8704 1 19 . 1 1 12 12 GLU H H 12 8.273 8.273 7.836 0.437 19427 8705 1 19 . 1 1 13 13 ARG N N 13 119.595 119.595 120.439 -0.844 19427 8706 1 19 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.130 0.042 19427 8707 1 19 . 1 1 13 13 ARG C C 13 179.909 179.909 179.027 0.882 19427 8708 1 19 . 1 1 13 13 ARG CA C 13 57.311 57.311 58.062 -0.751 19427 8709 1 19 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.802 -0.247 19427 8710 1 19 . 1 1 13 13 ARG H H 13 8.081 8.081 9.147 -1.066 19427 8711 1 19 . 1 1 14 14 LEU N N 14 120.325 120.325 120.296 0.029 19427 8712 1 19 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.157 -0.210 19427 8713 1 19 . 1 1 14 14 LEU C C 14 177.166 177.166 178.674 -1.508 19427 8714 1 19 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.633 -0.059 19427 8715 1 19 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.708 0.090 19427 8716 1 19 . 1 1 14 14 LEU H H 14 8.205 8.205 8.119 0.086 19427 8717 1 19 . 1 1 15 15 ALA N N 15 117.835 117.835 119.088 -1.253 19427 8718 1 19 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.212 -0.087 19427 8719 1 19 . 1 1 15 15 ALA C C 15 178.500 178.500 178.195 0.305 19427 8720 1 19 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.196 0.124 19427 8721 1 19 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.791 -0.079 19427 8722 1 19 . 1 1 15 15 ALA H H 15 7.265 7.265 7.595 -0.330 19427 8723 1 19 . 1 1 16 16 THR N N 16 105.967 105.967 109.464 -3.497 19427 8724 1 19 . 1 1 16 16 THR HA H 16 4.378 4.378 4.256 0.122 19427 8725 1 19 . 1 1 16 16 THR C C 16 174.639 174.639 174.806 -0.167 19427 8726 1 19 . 1 1 16 16 THR CA C 16 61.642 61.642 62.092 -0.450 19427 8727 1 19 . 1 1 16 16 THR CB C 16 69.957 69.957 69.360 0.597 19427 8728 1 19 . 1 1 16 16 THR H H 16 7.530 7.530 7.526 0.004 19427 8729 1 19 . 1 1 17 17 VAL N N 17 126.962 126.962 124.892 2.070 19427 8730 1 19 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.029 -0.044 19427 8731 1 19 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.863 0.672 19427 8732 1 19 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.583 0.805 19427 8733 1 19 . 1 1 17 17 VAL H H 17 7.208 7.208 7.206 0.002 19427 8734 1 19 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.212 0.056 19427 8735 1 19 . 1 1 18 18 PRO C C 18 178.094 178.094 177.173 0.921 19427 8736 1 19 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.392 0.456 19427 8737 1 19 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.331 0.380 19427 8738 1 19 . 1 1 19 19 ALA N N 19 128.383 128.383 128.798 -0.415 19427 8739 1 19 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.996 -0.052 19427 8740 1 19 . 1 1 19 19 ALA C C 19 180.008 180.008 179.553 0.455 19427 8741 1 19 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.578 0.739 19427 8742 1 19 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.666 0.248 19427 8743 1 19 . 1 1 19 19 ALA H H 19 8.872 8.872 8.570 0.302 19427 8744 1 19 . 1 1 20 20 GLU N N 20 118.522 118.522 117.551 0.971 19427 8745 1 19 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.013 0.101 19427 8746 1 19 . 1 1 20 20 GLU C C 20 177.573 177.573 177.839 -0.266 19427 8747 1 19 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.764 0.872 19427 8748 1 19 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.393 -0.555 19427 8749 1 19 . 1 1 20 20 GLU H H 20 9.459 9.459 8.761 0.698 19427 8750 1 19 . 1 1 21 21 LYS N N 21 115.147 115.147 115.624 -0.477 19427 8751 1 19 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.382 0.270 19427 8752 1 19 . 1 1 21 21 LYS C C 21 177.045 177.045 177.061 -0.016 19427 8753 1 19 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.693 0.294 19427 8754 1 19 . 1 1 21 21 LYS CB C 21 33.952 33.952 34.064 -0.112 19427 8755 1 19 . 1 1 21 21 LYS H H 21 7.441 7.441 7.511 -0.070 19427 8756 1 19 . 1 1 22 22 ALA N N 22 119.898 119.898 121.172 -1.274 19427 8757 1 19 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.342 -0.198 19427 8758 1 19 . 1 1 22 22 ALA C C 22 177.520 177.520 178.859 -1.339 19427 8759 1 19 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.638 0.543 19427 8760 1 19 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.548 1.683 19427 8761 1 19 . 1 1 22 22 ALA H H 22 8.096 8.096 8.279 -0.183 19427 8762 1 19 . 1 1 23 23 GLY N N 23 107.148 107.148 108.956 -1.808 19427 8763 1 19 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.842 1.170 19427 8764 1 19 . 1 1 23 23 GLY H H 23 8.484 8.484 7.988 0.496 19427 8765 1 19 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.384 -0.210 19427 8766 1 19 . 1 1 24 24 PRO C C 24 179.318 179.318 178.058 1.260 19427 8767 1 19 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.188 0.765 19427 8768 1 19 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.297 0.074 19427 8769 1 19 . 1 1 25 25 LEU N N 25 118.416 118.416 120.384 -1.968 19427 8770 1 19 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.677 -0.321 19427 8771 1 19 . 1 1 25 25 LEU C C 25 177.871 177.871 178.926 -1.055 19427 8772 1 19 . 1 1 25 25 LEU CA C 25 57.935 57.935 56.725 1.210 19427 8773 1 19 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.557 0.792 19427 8774 1 19 . 1 1 25 25 LEU H H 25 7.394 7.394 7.671 -0.277 19427 8775 1 19 . 1 1 26 26 GLN N N 26 119.819 119.819 119.119 0.700 19427 8776 1 19 . 1 1 26 26 GLN HA H 26 3.894 3.894 4.064 -0.170 19427 8777 1 19 . 1 1 26 26 GLN C C 26 179.865 179.865 178.892 0.973 19427 8778 1 19 . 1 1 26 26 GLN CA C 26 59.771 59.771 58.979 0.792 19427 8779 1 19 . 1 1 26 26 GLN CB C 26 27.554 27.554 27.996 -0.442 19427 8780 1 19 . 1 1 26 26 GLN H H 26 8.885 8.885 8.530 0.355 19427 8781 1 19 . 1 1 27 27 ARG N N 27 119.761 119.761 120.036 -0.275 19427 8782 1 19 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.146 -0.005 19427 8783 1 19 . 1 1 27 27 ARG C C 27 178.950 178.950 178.488 0.462 19427 8784 1 19 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.222 1.414 19427 8785 1 19 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.544 0.872 19427 8786 1 19 . 1 1 27 27 ARG H H 27 8.694 8.694 7.829 0.865 19427 8787 1 19 . 1 1 28 28 TYR N N 28 122.540 122.540 121.637 0.903 19427 8788 1 19 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.131 0.040 19427 8789 1 19 . 1 1 28 28 TYR C C 28 177.843 177.843 177.414 0.429 19427 8790 1 19 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.864 0.415 19427 8791 1 19 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.450 1.263 19427 8792 1 19 . 1 1 28 28 TYR H H 28 8.211 8.211 8.207 0.004 19427 8793 1 19 . 1 1 29 29 ALA N N 29 120.477 120.477 120.487 -0.010 19427 8794 1 19 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.970 -0.208 19427 8795 1 19 . 1 1 29 29 ALA C C 29 178.739 178.739 179.308 -0.569 19427 8796 1 19 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.131 0.054 19427 8797 1 19 . 1 1 29 29 ALA CB C 29 17.929 17.929 17.976 -0.047 19427 8798 1 19 . 1 1 29 29 ALA H H 29 9.065 9.065 8.687 0.378 19427 8799 1 19 . 1 1 30 30 ALA N N 30 118.596 118.596 121.308 -2.712 19427 8800 1 19 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.054 0.233 19427 8801 1 19 . 1 1 30 30 ALA C C 30 180.895 180.895 179.698 1.197 19427 8802 1 19 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.382 -0.306 19427 8803 1 19 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.171 -0.085 19427 8804 1 19 . 1 1 30 30 ALA H H 30 7.741 7.741 8.205 -0.464 19427 8805 1 19 . 1 1 31 31 THR N N 31 116.024 116.024 116.656 -0.632 19427 8806 1 19 . 1 1 31 31 THR HA H 31 3.995 3.995 3.985 0.010 19427 8807 1 19 . 1 1 31 31 THR C C 31 176.687 176.687 176.751 -0.064 19427 8808 1 19 . 1 1 31 31 THR CA C 31 66.452 66.452 67.010 -0.558 19427 8809 1 19 . 1 1 31 31 THR CB C 31 68.867 68.867 68.829 0.038 19427 8810 1 19 . 1 1 31 31 THR H H 31 7.914 7.914 7.938 -0.024 19427 8811 1 19 . 1 1 32 32 ILE N N 32 121.094 121.094 122.533 -1.439 19427 8812 1 19 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.589 0.226 19427 8813 1 19 . 1 1 32 32 ILE C C 32 178.583 178.583 177.704 0.879 19427 8814 1 19 . 1 1 32 32 ILE CA C 32 64.153 64.153 65.333 -1.180 19427 8815 1 19 . 1 1 32 32 ILE CB C 32 36.940 36.940 37.620 -0.680 19427 8816 1 19 . 1 1 32 32 ILE H H 32 7.846 7.846 7.840 0.006 19427 8817 1 19 . 1 1 33 33 GLN N N 33 119.832 119.832 118.820 1.012 19427 8818 1 19 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.076 -0.237 19427 8819 1 19 . 1 1 33 33 GLN C C 33 178.264 178.264 179.075 -0.811 19427 8820 1 19 . 1 1 33 33 GLN CA C 33 59.858 59.858 58.688 1.170 19427 8821 1 19 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.383 0.982 19427 8822 1 19 . 1 1 33 33 GLN H H 33 8.374 8.374 8.567 -0.193 19427 8823 1 19 . 1 1 34 34 SER N N 34 112.726 112.726 115.501 -2.775 19427 8824 1 19 . 1 1 34 34 SER HA H 34 4.333 4.333 4.187 0.146 19427 8825 1 19 . 1 1 34 34 SER C C 34 176.817 176.817 176.221 0.596 19427 8826 1 19 . 1 1 34 34 SER CA C 34 60.915 60.915 61.499 -0.584 19427 8827 1 19 . 1 1 34 34 SER CB C 34 63.235 63.235 62.857 0.378 19427 8828 1 19 . 1 1 34 34 SER H H 34 7.816 7.816 8.105 -0.289 19427 8829 1 19 . 1 1 35 35 GLN N N 35 120.724 120.724 119.723 1.001 19427 8830 1 19 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.216 -0.022 19427 8831 1 19 . 1 1 35 35 GLN C C 35 177.930 177.930 177.922 0.008 19427 8832 1 19 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.693 0.416 19427 8833 1 19 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.633 0.555 19427 8834 1 19 . 1 1 35 35 GLN H H 35 8.034 8.034 7.610 0.424 19427 8835 1 19 . 1 1 36 36 ARG N N 36 116.267 116.267 120.841 -4.574 19427 8836 1 19 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.135 0.263 19427 8837 1 19 . 1 1 36 36 ARG C C 36 177.013 177.013 177.782 -0.769 19427 8838 1 19 . 1 1 36 36 ARG CA C 36 56.424 56.424 57.617 -1.193 19427 8839 1 19 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.936 0.482 19427 8840 1 19 . 1 1 36 36 ARG H H 36 8.091 8.091 8.449 -0.358 19427 8841 1 19 . 1 1 37 37 GLY N N 37 109.299 109.299 108.012 1.287 19427 8842 1 19 . 1 1 37 37 GLY C C 37 173.661 173.661 174.347 -0.686 19427 8843 1 19 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.985 0.285 19427 8844 1 19 . 1 1 37 37 GLY H H 37 7.972 7.972 7.801 0.171 19427 8845 1 19 . 1 1 38 38 ASP N N 38 119.246 119.246 125.557 -6.311 19427 8846 1 19 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.541 0.174 19427 8847 1 19 . 1 1 38 38 ASP C C 38 175.405 175.405 175.472 -0.067 19427 8848 1 19 . 1 1 38 38 ASP CA C 38 53.171 53.171 54.927 -1.756 19427 8849 1 19 . 1 1 38 38 ASP CB C 38 41.640 41.640 40.251 1.389 19427 8850 1 19 . 1 1 38 38 ASP H H 38 7.838 7.838 8.158 -0.320 19427 8851 1 19 . 1 1 39 39 TYR N N 39 121.210 121.210 127.960 -6.750 19427 8852 1 19 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.550 -0.023 19427 8853 1 19 . 1 1 39 39 TYR C C 39 176.937 176.937 174.987 1.950 19427 8854 1 19 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.335 0.793 19427 8855 1 19 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.480 0.108 19427 8856 1 19 . 1 1 39 39 TYR H H 39 8.202 8.202 8.106 0.096 19427 8857 1 19 . 1 1 40 40 ASN N N 40 120.622 120.622 125.028 -4.406 19427 8858 1 19 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.611 0.008 19427 8859 1 19 . 1 1 40 40 ASN C C 40 175.853 175.853 176.144 -0.291 19427 8860 1 19 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.137 1.246 19427 8861 1 19 . 1 1 40 40 ASN CB C 40 39.506 39.506 38.704 0.802 19427 8862 1 19 . 1 1 40 40 ASN H H 40 8.393 8.393 8.528 -0.135 19427 8863 1 19 . 1 1 41 41 GLY N N 41 107.971 107.971 108.656 -0.685 19427 8864 1 19 . 1 1 41 41 GLY C C 41 173.926 173.926 174.679 -0.753 19427 8865 1 19 . 1 1 41 41 GLY CA C 41 45.930 45.930 44.888 1.042 19427 8866 1 19 . 1 1 41 41 GLY H H 41 8.103 8.103 8.050 0.053 19427 8867 1 19 . 1 1 42 42 LYS N N 42 119.472 119.472 120.666 -1.194 19427 8868 1 19 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.447 0.042 19427 8869 1 19 . 1 1 42 42 LYS C C 42 176.201 176.201 175.675 0.526 19427 8870 1 19 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.223 0.486 19427 8871 1 19 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.458 0.887 19427 8872 1 19 . 1 1 42 42 LYS H H 42 8.652 8.652 7.945 0.707 19427 8873 1 19 . 1 1 43 43 VAL N N 43 112.852 112.852 112.414 0.438 19427 8874 1 19 . 1 1 43 43 VAL HA H 43 5.330 5.330 4.993 0.337 19427 8875 1 19 . 1 1 43 43 VAL C C 43 174.906 174.906 173.848 1.058 19427 8876 1 19 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.602 -0.339 19427 8877 1 19 . 1 1 43 43 VAL CB C 43 35.953 35.953 34.874 1.079 19427 8878 1 19 . 1 1 43 43 VAL H H 43 7.840 7.840 7.457 0.383 19427 8879 1 19 . 1 1 44 44 LEU N N 44 123.642 123.642 125.938 -2.296 19427 8880 1 19 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.913 -0.124 19427 8881 1 19 . 1 1 44 44 LEU C C 44 175.260 175.260 175.091 0.169 19427 8882 1 19 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.799 0.077 19427 8883 1 19 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.320 2.178 19427 8884 1 19 . 1 1 44 44 LEU H H 44 8.610 8.610 9.073 -0.463 19427 8885 1 19 . 1 1 45 45 SER N N 45 124.267 124.267 124.172 0.095 19427 8886 1 19 . 1 1 45 45 SER HA H 45 5.052 5.052 4.945 0.107 19427 8887 1 19 . 1 1 45 45 SER C C 45 174.246 174.246 174.381 -0.135 19427 8888 1 19 . 1 1 45 45 SER CA C 45 58.852 58.852 58.297 0.555 19427 8889 1 19 . 1 1 45 45 SER CB C 45 63.509 63.509 62.603 0.906 19427 8890 1 19 . 1 1 45 45 SER H H 45 9.111 9.111 8.816 0.295 19427 8891 1 19 . 1 1 46 46 ILE N N 46 118.924 118.924 122.376 -3.452 19427 8892 1 19 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.622 0.158 19427 8893 1 19 . 1 1 46 46 ILE C C 46 174.199 174.199 174.605 -0.406 19427 8894 1 19 . 1 1 46 46 ILE CA C 46 59.602 59.602 59.426 0.176 19427 8895 1 19 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.202 1.393 19427 8896 1 19 . 1 1 46 46 ILE H H 46 8.542 8.542 9.099 -0.557 19427 8897 1 19 . 1 1 47 47 ARG N N 47 119.572 119.572 118.407 1.165 19427 8898 1 19 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.931 -0.066 19427 8899 1 19 . 1 1 47 47 ARG C C 47 178.511 178.511 178.190 0.321 19427 8900 1 19 . 1 1 47 47 ARG CA C 47 54.508 54.508 53.534 0.974 19427 8901 1 19 . 1 1 47 47 ARG CB C 47 33.318 33.318 32.501 0.817 19427 8902 1 19 . 1 1 47 47 ARG H H 47 9.488 9.488 9.010 0.478 19427 8903 1 19 . 1 1 48 48 GLN N N 48 122.809 122.809 120.282 2.527 19427 8904 1 19 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.931 -0.113 19427 8905 1 19 . 1 1 48 48 GLN C C 48 178.972 178.972 177.284 1.688 19427 8906 1 19 . 1 1 48 48 GLN CA C 48 60.527 60.527 60.741 -0.214 19427 8907 1 19 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.586 -0.302 19427 8908 1 19 . 1 1 48 48 GLN H H 48 9.350 9.350 8.953 0.397 19427 8909 1 19 . 1 1 49 49 ASP N N 49 115.682 115.682 118.631 -2.949 19427 8910 1 19 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.341 0.019 19427 8911 1 19 . 1 1 49 49 ASP C C 49 178.758 178.758 177.795 0.963 19427 8912 1 19 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.483 -0.126 19427 8913 1 19 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.518 -0.035 19427 8914 1 19 . 1 1 49 49 ASP H H 49 8.855 8.855 8.512 0.343 19427 8915 1 19 . 1 1 50 50 ASP N N 50 117.926 117.926 120.401 -2.475 19427 8916 1 19 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.505 0.107 19427 8917 1 19 . 1 1 50 50 ASP C C 50 177.865 177.865 178.722 -0.857 19427 8918 1 19 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.935 1.140 19427 8919 1 19 . 1 1 50 50 ASP CB C 50 41.639 41.639 40.912 0.727 19427 8920 1 19 . 1 1 50 50 ASP H H 50 7.519 7.519 7.675 -0.156 19427 8921 1 19 . 1 1 51 51 LEU N N 51 118.893 118.893 121.806 -2.913 19427 8922 1 19 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.953 -0.041 19427 8923 1 19 . 1 1 51 51 LEU C C 51 178.254 178.254 178.409 -0.155 19427 8924 1 19 . 1 1 51 51 LEU CA C 51 58.129 58.129 58.084 0.046 19427 8925 1 19 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.984 -0.587 19427 8926 1 19 . 1 1 51 51 LEU H H 51 7.444 7.444 8.016 -0.572 19427 8927 1 19 . 1 1 52 52 ARG N N 52 117.366 117.366 118.332 -0.966 19427 8928 1 19 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.990 -0.080 19427 8929 1 19 . 1 1 52 52 ARG C C 52 178.886 178.886 178.424 0.462 19427 8930 1 19 . 1 1 52 52 ARG CA C 52 60.285 60.285 58.778 1.507 19427 8931 1 19 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.495 0.323 19427 8932 1 19 . 1 1 52 52 ARG H H 52 7.757 7.757 8.587 -0.830 19427 8933 1 19 . 1 1 53 53 THR N N 53 118.266 118.266 117.657 0.609 19427 8934 1 19 . 1 1 53 53 THR HA H 53 3.924 3.924 3.971 -0.047 19427 8935 1 19 . 1 1 53 53 THR C C 53 176.626 176.626 176.576 0.050 19427 8936 1 19 . 1 1 53 53 THR CA C 53 67.001 67.001 67.021 -0.020 19427 8937 1 19 . 1 1 53 53 THR CB C 53 68.759 68.759 68.407 0.352 19427 8938 1 19 . 1 1 53 53 THR H H 53 7.973 7.973 7.598 0.375 19427 8939 1 19 . 1 1 54 54 LEU N N 54 122.030 122.030 121.217 0.813 19427 8940 1 19 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.233 0.576 19427 8941 1 19 . 1 1 54 54 LEU C C 54 177.755 177.755 178.216 -0.461 19427 8942 1 19 . 1 1 54 54 LEU CA C 54 57.823 57.823 58.120 -0.296 19427 8943 1 19 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.842 2.247 19427 8944 1 19 . 1 1 54 54 LEU H H 54 8.355 8.355 8.177 0.178 19427 8945 1 19 . 1 1 55 55 ALA N N 55 122.634 122.634 120.197 2.437 19427 8946 1 19 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.923 -0.031 19427 8947 1 19 . 1 1 55 55 ALA C C 55 179.192 179.192 179.426 -0.234 19427 8948 1 19 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.242 1.263 19427 8949 1 19 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.941 -0.777 19427 8950 1 19 . 1 1 55 55 ALA H H 55 8.195 8.195 8.033 0.162 19427 8951 1 19 . 1 1 56 56 VAL N N 56 118.079 118.079 118.063 0.016 19427 8952 1 19 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.621 0.240 19427 8953 1 19 . 1 1 56 56 VAL C C 56 180.389 180.389 178.050 2.339 19427 8954 1 19 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.724 0.863 19427 8955 1 19 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.881 -0.188 19427 8956 1 19 . 1 1 56 56 VAL H H 56 7.402 7.402 7.211 0.191 19427 8957 1 19 . 1 1 57 57 ILE N N 57 122.536 122.536 119.553 2.983 19427 8958 1 19 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.612 -0.008 19427 8959 1 19 . 1 1 57 57 ILE C C 57 177.942 177.942 177.659 0.283 19427 8960 1 19 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.819 1.024 19427 8961 1 19 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.894 0.492 19427 8962 1 19 . 1 1 57 57 ILE H H 57 7.893 7.893 7.694 0.199 19427 8963 1 19 . 1 1 58 58 TYR N N 58 117.060 117.060 116.778 0.282 19427 8964 1 19 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.529 -0.398 19427 8965 1 19 . 1 1 58 58 TYR C C 58 174.728 174.728 175.264 -0.536 19427 8966 1 19 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.860 4.904 19427 8967 1 19 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.406 1.621 19427 8968 1 19 . 1 1 58 58 TYR H H 58 8.319 8.319 7.780 0.539 19427 8969 1 19 . 1 1 59 59 ASP N N 59 122.545 122.545 118.279 4.266 19427 8970 1 19 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.267 0.083 19427 8971 1 19 . 1 1 59 59 ASP C C 59 174.853 174.853 174.935 -0.082 19427 8972 1 19 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.244 -0.131 19427 8973 1 19 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.819 -0.007 19427 8974 1 19 . 1 1 59 59 ASP H H 59 8.177 8.177 7.743 0.434 19427 8975 1 19 . 1 1 60 60 GLN N N 60 116.007 116.007 118.831 -2.824 19427 8976 1 19 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.619 0.111 19427 8977 1 19 . 1 1 60 60 GLN C C 60 174.853 174.853 174.186 0.667 19427 8978 1 19 . 1 1 60 60 GLN CA C 60 53.513 53.513 54.142 -0.629 19427 8979 1 19 . 1 1 60 60 GLN CB C 60 34.384 34.384 33.416 0.968 19427 8980 1 19 . 1 1 60 60 GLN H H 60 8.424 8.424 8.192 0.232 19427 8981 1 19 . 1 1 61 61 SER N N 61 116.009 116.009 119.018 -3.009 19427 8982 1 19 . 1 1 61 61 SER HA H 61 4.783 4.783 4.519 0.264 19427 8983 1 19 . 1 1 61 61 SER CA C 61 56.443 56.443 57.626 -1.183 19427 8984 1 19 . 1 1 61 61 SER CB C 61 62.811 62.811 63.267 -0.456 19427 8985 1 19 . 1 1 61 61 SER H H 61 8.424 8.424 8.441 -0.017 19427 8986 1 19 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.126 -0.090 19427 8987 1 19 . 1 1 62 62 PRO C C 62 179.161 179.161 178.765 0.396 19427 8988 1 19 . 1 1 62 62 PRO CA C 62 66.496 66.496 66.205 0.291 19427 8989 1 19 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.747 0.033 19427 8990 1 19 . 1 1 63 63 SER N N 63 114.103 114.103 112.610 1.493 19427 8991 1 19 . 1 1 63 63 SER HA H 63 4.838 4.838 4.210 0.628 19427 8992 1 19 . 1 1 63 63 SER C C 63 176.141 176.141 176.664 -0.523 19427 8993 1 19 . 1 1 63 63 SER CB C 63 62.293 62.293 62.535 -0.242 19427 8994 1 19 . 1 1 63 63 SER H H 63 8.596 8.596 8.412 0.184 19427 8995 1 19 . 1 1 64 64 VAL N N 64 125.461 125.461 123.451 2.010 19427 8996 1 19 . 1 1 64 64 VAL HA H 64 3.561 3.561 4.047 -0.486 19427 8997 1 19 . 1 1 64 64 VAL C C 64 178.754 178.754 178.546 0.208 19427 8998 1 19 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.511 0.921 19427 8999 1 19 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.047 0.970 19427 9000 1 19 . 1 1 64 64 VAL H H 64 7.381 7.381 7.379 0.002 19427 9001 1 19 . 1 1 65 65 LEU N N 65 121.843 121.843 121.179 0.664 19427 9002 1 19 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.009 -0.110 19427 9003 1 19 . 1 1 65 65 LEU C C 65 178.836 178.836 178.904 -0.068 19427 9004 1 19 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.640 -1.328 19427 9005 1 19 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.938 0.317 19427 9006 1 19 . 1 1 65 65 LEU H H 65 8.437 8.437 8.853 -0.416 19427 9007 1 19 . 1 1 66 66 THR N N 66 115.794 115.794 115.712 0.082 19427 9008 1 19 . 1 1 66 66 THR HA H 66 3.321 3.321 3.889 -0.568 19427 9009 1 19 . 1 1 66 66 THR C C 66 175.591 175.591 176.847 -1.256 19427 9010 1 19 . 1 1 66 66 THR CA C 66 69.056 69.056 67.181 1.875 19427 9011 1 19 . 1 1 66 66 THR CB C 66 67.992 67.992 68.345 -0.353 19427 9012 1 19 . 1 1 66 66 THR H H 66 8.079 8.079 8.056 0.023 19427 9013 1 19 . 1 1 67 67 GLU N N 67 118.543 118.543 121.350 -2.807 19427 9014 1 19 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.848 -0.007 19427 9015 1 19 . 1 1 67 67 GLU C C 67 179.342 179.342 178.983 0.359 19427 9016 1 19 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.439 -0.214 19427 9017 1 19 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.160 -0.239 19427 9018 1 19 . 1 1 67 67 GLU H H 67 7.594 7.594 8.225 -0.631 19427 9019 1 19 . 1 1 68 68 GLN N N 68 120.882 120.882 118.809 2.073 19427 9020 1 19 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.516 0.184 19427 9021 1 19 . 1 1 68 68 GLN C C 68 177.403 177.403 177.906 -0.503 19427 9022 1 19 . 1 1 68 68 GLN CA C 68 58.394 58.394 57.981 0.413 19427 9023 1 19 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.798 0.576 19427 9024 1 19 . 1 1 68 68 GLN H H 68 7.847 7.847 7.815 0.032 19427 9025 1 19 . 1 1 69 69 LEU N N 69 118.421 118.421 119.489 -1.068 19427 9026 1 19 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.902 -0.429 19427 9027 1 19 . 1 1 69 69 LEU C C 69 180.177 180.177 179.084 1.093 19427 9028 1 19 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.549 0.864 19427 9029 1 19 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.038 -0.067 19427 9030 1 19 . 1 1 69 69 LEU H H 69 7.986 7.986 7.443 0.543 19427 9031 1 19 . 1 1 70 70 ILE N N 70 121.346 121.346 118.762 2.584 19427 9032 1 19 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.906 0.254 19427 9033 1 19 . 1 1 70 70 ILE C C 70 180.910 180.910 178.832 2.078 19427 9034 1 19 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.714 0.336 19427 9035 1 19 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.746 0.599 19427 9036 1 19 . 1 1 70 70 ILE H H 70 8.262 8.262 7.992 0.270 19427 9037 1 19 . 1 1 71 71 SER N N 71 120.236 120.236 115.976 4.260 19427 9038 1 19 . 1 1 71 71 SER HA H 71 4.273 4.273 4.201 0.072 19427 9039 1 19 . 1 1 71 71 SER C C 71 177.045 177.045 176.015 1.030 19427 9040 1 19 . 1 1 71 71 SER CA C 71 62.544 62.544 60.900 1.644 19427 9041 1 19 . 1 1 71 71 SER CB C 71 62.839 62.839 63.012 -0.173 19427 9042 1 19 . 1 1 71 71 SER H H 71 8.388 8.388 7.906 0.482 19427 9043 1 19 . 1 1 72 72 TRP N N 72 119.364 119.364 118.351 1.013 19427 9044 1 19 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.820 0.106 19427 9045 1 19 . 1 1 72 72 TRP C C 72 176.839 176.839 176.362 0.477 19427 9046 1 19 . 1 1 72 72 TRP CA C 72 55.764 55.764 55.848 -0.084 19427 9047 1 19 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.546 1.718 19427 9048 1 19 . 1 1 72 72 TRP H H 72 8.066 8.066 7.573 0.493 19427 9049 1 19 . 1 1 73 73 GLY N N 73 106.514 106.514 106.526 -0.012 19427 9050 1 19 . 1 1 73 73 GLY C C 73 174.697 174.697 175.147 -0.450 19427 9051 1 19 . 1 1 73 73 GLY CA C 73 45.403 45.403 46.385 -0.982 19427 9052 1 19 . 1 1 73 73 GLY H H 73 8.242 8.242 7.558 0.684 19427 9053 1 19 . 1 1 74 74 VAL N N 74 114.793 114.793 117.744 -2.951 19427 9054 1 19 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.138 0.059 19427 9055 1 19 . 1 1 74 74 VAL C C 74 174.015 174.015 175.516 -1.501 19427 9056 1 19 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.383 -0.270 19427 9057 1 19 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.881 -0.032 19427 9058 1 19 . 1 1 74 74 VAL H H 74 7.834 7.834 8.490 -0.656 19427 9059 1 19 . 1 1 75 75 LEU N N 75 118.357 118.357 120.385 -2.028 19427 9060 1 19 . 1 1 75 75 LEU HA H 75 4.911 4.911 5.091 -0.180 19427 9061 1 19 . 1 1 75 75 LEU C C 75 175.022 175.022 175.643 -0.621 19427 9062 1 19 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.686 -0.054 19427 9063 1 19 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.254 1.904 19427 9064 1 19 . 1 1 75 75 LEU H H 75 6.898 6.898 7.474 -0.576 19427 9065 1 19 . 1 1 76 76 ASP N N 76 122.400 122.400 122.698 -0.298 19427 9066 1 19 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.551 0.052 19427 9067 1 19 . 1 1 76 76 ASP C C 76 176.384 176.384 176.407 -0.023 19427 9068 1 19 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.447 -0.064 19427 9069 1 19 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.128 0.099 19427 9070 1 19 . 1 1 76 76 ASP H H 76 8.412 8.412 8.769 -0.357 19427 9071 1 19 . 1 1 77 77 ALA N N 77 123.828 123.828 127.350 -3.522 19427 9072 1 19 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.027 0.027 19427 9073 1 19 . 1 1 77 77 ALA C C 77 179.068 179.068 179.058 0.010 19427 9074 1 19 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.700 0.031 19427 9075 1 19 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.955 -0.206 19427 9076 1 19 . 1 1 77 77 ALA H H 77 8.601 8.601 8.540 0.061 19427 9077 1 19 . 1 1 78 78 ASP N N 78 118.882 118.882 118.831 0.051 19427 9078 1 19 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.469 0.044 19427 9079 1 19 . 1 1 78 78 ASP C C 78 174.868 174.868 177.842 -2.974 19427 9080 1 19 . 1 1 78 78 ASP CA C 78 56.278 56.278 55.967 0.311 19427 9081 1 19 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.617 0.291 19427 9082 1 19 . 1 1 78 78 ASP H H 78 8.791 8.791 7.914 0.877 19427 9083 1 19 . 1 1 79 79 ALA N N 79 121.027 121.027 122.996 -1.969 19427 9084 1 19 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.038 -0.037 19427 9085 1 19 . 1 1 79 79 ALA C C 79 178.803 178.803 178.996 -0.193 19427 9086 1 19 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.907 -0.516 19427 9087 1 19 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.237 1.683 19427 9088 1 19 . 1 1 79 79 ALA H H 79 8.287 8.287 7.931 0.356 19427 9089 1 19 . 1 1 80 80 ARG N N 80 115.805 115.805 117.646 -1.841 19427 9090 1 19 . 1 1 80 80 ARG HA H 80 3.924 3.924 4.127 -0.203 19427 9091 1 19 . 1 1 80 80 ARG C C 80 178.254 178.254 178.142 0.112 19427 9092 1 19 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.205 1.024 19427 9093 1 19 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.199 1.058 19427 9094 1 19 . 1 1 80 80 ARG H H 80 7.689 7.689 7.475 0.214 19427 9095 1 19 . 1 1 81 81 ARG N N 81 117.554 117.554 119.686 -2.132 19427 9096 1 19 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.127 0.079 19427 9097 1 19 . 1 1 81 81 ARG C C 81 177.214 177.214 177.119 0.095 19427 9098 1 19 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.119 -0.426 19427 9099 1 19 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.805 0.437 19427 9100 1 19 . 1 1 81 81 ARG H H 81 7.782 7.782 8.346 -0.564 19427 9101 1 19 . 1 1 82 82 ALA N N 82 121.590 121.590 120.693 0.897 19427 9102 1 19 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.173 0.106 19427 9103 1 19 . 1 1 82 82 ALA C C 82 177.798 177.798 180.366 -2.568 19427 9104 1 19 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.503 -1.248 19427 9105 1 19 . 1 1 82 82 ALA CB C 82 19.563 19.563 18.279 1.284 19427 9106 1 19 . 1 1 82 82 ALA H H 82 7.875 7.875 7.375 0.500 19427 9107 1 19 . 1 1 83 83 VAL N N 83 114.483 114.483 119.328 -4.845 19427 9108 1 19 . 1 1 83 83 VAL HA H 83 4.141 4.141 3.822 0.319 19427 9109 1 19 . 1 1 83 83 VAL C C 83 175.572 175.572 178.251 -2.679 19427 9110 1 19 . 1 1 83 83 VAL CA C 83 62.041 62.041 65.247 -3.206 19427 9111 1 19 . 1 1 83 83 VAL CB C 83 32.781 32.781 31.439 1.342 19427 9112 1 19 . 1 1 83 83 VAL H H 83 7.503 7.503 7.624 -0.121 19427 9113 1 19 . 1 1 84 84 ALA N N 84 125.870 125.870 120.532 5.338 19427 9114 1 19 . 1 1 84 84 ALA HA H 84 4.321 4.321 3.707 0.614 19427 9115 1 19 . 1 1 84 84 ALA C C 84 177.696 177.696 176.069 1.627 19427 9116 1 19 . 1 1 84 84 ALA CA C 84 52.771 52.771 51.282 1.489 19427 9117 1 19 . 1 1 84 84 ALA CB C 84 19.512 19.512 17.059 2.453 19427 9118 1 19 . 1 1 84 84 ALA H H 84 7.876 7.876 7.952 -0.076 19427 9119 1 19 . 1 1 85 85 SER N N 85 114.965 114.965 113.984 0.981 19427 9120 1 19 . 1 1 85 85 SER HA H 85 4.396 4.396 4.225 0.171 19427 9121 1 19 . 1 1 85 85 SER CA C 85 58.393 58.393 58.694 -0.301 19427 9122 1 19 . 1 1 85 85 SER CB C 85 63.915 63.915 63.219 0.696 19427 9123 1 19 . 1 1 85 85 SER H H 85 8.521 8.521 7.387 1.134 19427 9124 1 19 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.878 -0.212 19427 9125 1 19 . 1 1 86 86 HIS C C 86 174.868 174.868 174.018 0.850 19427 9126 1 19 . 1 1 86 86 HIS CA C 86 56.321 56.321 54.618 1.703 19427 9127 1 19 . 1 1 86 86 HIS CB C 86 30.312 30.312 27.279 3.033 19427 9128 1 19 . 1 1 87 87 ASP N N 87 121.205 121.205 121.332 -0.127 19427 9129 1 19 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.801 -0.198 19427 9130 1 19 . 1 1 87 87 ASP C C 87 175.917 175.917 175.808 0.109 19427 9131 1 19 . 1 1 87 87 ASP CA C 87 54.577 54.577 53.596 0.981 19427 9132 1 19 . 1 1 87 87 ASP CB C 87 41.256 41.256 40.925 0.331 19427 9133 1 19 . 1 1 87 87 ASP H H 87 8.326 8.326 7.846 0.480 19427 9134 1 19 . 1 1 88 88 GLU N N 88 121.167 121.167 124.331 -3.164 19427 9135 1 19 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.445 -0.128 19427 9136 1 19 . 1 1 88 88 GLU C C 88 175.455 175.455 176.528 -1.073 19427 9137 1 19 . 1 1 88 88 GLU CA C 88 56.372 56.372 57.516 -1.144 19427 9138 1 19 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.112 0.261 19427 9139 1 19 . 1 1 88 88 GLU H H 88 8.352 8.352 8.800 -0.448 19427 9140 1 20 . 1 1 5 5 PRO HA H 5 4.401 4.401 4.429 -0.028 19427 9141 1 20 . 1 1 5 5 PRO C C 5 176.334 176.334 175.817 0.517 19427 9142 1 20 . 1 1 5 5 PRO CA C 5 62.783 62.783 62.769 0.014 19427 9143 1 20 . 1 1 5 5 PRO CB C 5 32.354 32.354 32.037 0.317 19427 9144 1 20 . 1 1 6 6 LYS N N 6 121.980 121.980 123.611 -1.631 19427 9145 1 20 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.605 -0.231 19427 9146 1 20 . 1 1 6 6 LYS C C 6 175.715 175.715 176.141 -0.426 19427 9147 1 20 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.264 0.908 19427 9148 1 20 . 1 1 6 6 LYS CB C 6 33.270 33.270 34.179 -0.909 19427 9149 1 20 . 1 1 6 6 LYS H H 6 8.546 8.546 8.204 0.342 19427 9150 1 20 . 1 1 7 7 LEU N N 7 125.018 125.018 127.432 -2.414 19427 9151 1 20 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.582 -0.059 19427 9152 1 20 . 1 1 7 7 LEU C C 7 174.994 174.994 175.604 -0.610 19427 9153 1 20 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.076 -0.026 19427 9154 1 20 . 1 1 7 7 LEU CB C 7 43.171 43.171 43.129 0.042 19427 9155 1 20 . 1 1 7 7 LEU H H 7 8.620 8.620 9.217 -0.597 19427 9156 1 20 . 1 1 8 8 VAL N N 8 121.522 121.522 124.385 -2.863 19427 9157 1 20 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.280 0.267 19427 9158 1 20 . 1 1 8 8 VAL C C 8 175.042 175.042 175.528 -0.486 19427 9159 1 20 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.466 -0.260 19427 9160 1 20 . 1 1 8 8 VAL CB C 8 34.596 34.596 31.516 3.080 19427 9161 1 20 . 1 1 8 8 VAL H H 8 8.084 8.084 8.627 -0.543 19427 9162 1 20 . 1 1 9 9 LEU N N 9 126.312 126.312 130.666 -4.354 19427 9163 1 20 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.582 0.358 19427 9164 1 20 . 1 1 9 9 LEU C C 9 175.831 175.831 175.062 0.769 19427 9165 1 20 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.544 0.002 19427 9166 1 20 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.397 0.836 19427 9167 1 20 . 1 1 9 9 LEU H H 9 9.137 9.137 9.086 0.051 19427 9168 1 20 . 1 1 10 10 ASP N N 10 123.236 123.236 128.087 -4.851 19427 9169 1 20 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.808 0.040 19427 9170 1 20 . 1 1 10 10 ASP C C 10 176.685 176.685 176.712 -0.027 19427 9171 1 20 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.440 -0.847 19427 9172 1 20 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.459 -0.639 19427 9173 1 20 . 1 1 10 10 ASP H H 10 9.002 9.002 8.751 0.251 19427 9174 1 20 . 1 1 11 11 LEU N N 11 124.059 124.059 126.531 -2.472 19427 9175 1 20 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.144 -0.078 19427 9176 1 20 . 1 1 11 11 LEU C C 11 180.169 180.169 178.836 1.333 19427 9177 1 20 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.297 -0.284 19427 9178 1 20 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.119 -1.269 19427 9179 1 20 . 1 1 11 11 LEU H H 11 8.273 8.273 8.983 -0.710 19427 9180 1 20 . 1 1 12 12 GLU N N 12 121.967 121.967 119.885 2.082 19427 9181 1 20 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.028 0.146 19427 9182 1 20 . 1 1 12 12 GLU C C 12 179.719 179.719 178.985 0.734 19427 9183 1 20 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.212 0.416 19427 9184 1 20 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.331 0.229 19427 9185 1 20 . 1 1 12 12 GLU H H 12 8.273 8.273 7.754 0.519 19427 9186 1 20 . 1 1 13 13 ARG N N 13 119.595 119.595 117.615 1.980 19427 9187 1 20 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.199 -0.027 19427 9188 1 20 . 1 1 13 13 ARG C C 13 179.909 179.909 179.382 0.527 19427 9189 1 20 . 1 1 13 13 ARG CA C 13 57.311 57.311 56.795 0.516 19427 9190 1 20 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.770 -0.215 19427 9191 1 20 . 1 1 13 13 ARG H H 13 8.081 8.081 9.157 -1.076 19427 9192 1 20 . 1 1 14 14 LEU N N 14 120.325 120.325 121.448 -1.123 19427 9193 1 20 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.200 -0.253 19427 9194 1 20 . 1 1 14 14 LEU C C 14 177.166 177.166 178.613 -1.447 19427 9195 1 20 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.533 0.041 19427 9196 1 20 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.018 0.780 19427 9197 1 20 . 1 1 14 14 LEU H H 14 8.205 8.205 8.099 0.106 19427 9198 1 20 . 1 1 15 15 ALA N N 15 117.835 117.835 119.582 -1.747 19427 9199 1 20 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.160 -0.035 19427 9200 1 20 . 1 1 15 15 ALA C C 15 178.500 178.500 178.077 0.423 19427 9201 1 20 . 1 1 15 15 ALA CA C 15 54.320 54.320 54.048 0.272 19427 9202 1 20 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.858 -0.146 19427 9203 1 20 . 1 1 15 15 ALA H H 15 7.265 7.265 7.706 -0.441 19427 9204 1 20 . 1 1 16 16 THR N N 16 105.967 105.967 112.400 -6.433 19427 9205 1 20 . 1 1 16 16 THR HA H 16 4.378 4.378 4.260 0.118 19427 9206 1 20 . 1 1 16 16 THR C C 16 174.639 174.639 174.326 0.313 19427 9207 1 20 . 1 1 16 16 THR CA C 16 61.642 61.642 62.638 -0.996 19427 9208 1 20 . 1 1 16 16 THR CB C 16 69.957 69.957 69.111 0.846 19427 9209 1 20 . 1 1 16 16 THR H H 16 7.530 7.530 7.471 0.059 19427 9210 1 20 . 1 1 17 17 VAL N N 17 126.962 126.962 123.533 3.429 19427 9211 1 20 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.179 -0.194 19427 9212 1 20 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.506 1.029 19427 9213 1 20 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.801 0.587 19427 9214 1 20 . 1 1 17 17 VAL H H 17 7.208 7.208 7.244 -0.036 19427 9215 1 20 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.228 0.040 19427 9216 1 20 . 1 1 18 18 PRO C C 18 178.094 178.094 177.559 0.535 19427 9217 1 20 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.552 0.296 19427 9218 1 20 . 1 1 18 18 PRO CB C 18 32.711 32.711 31.843 0.868 19427 9219 1 20 . 1 1 19 19 ALA N N 19 128.383 128.383 128.661 -0.278 19427 9220 1 20 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.921 0.023 19427 9221 1 20 . 1 1 19 19 ALA C C 19 180.008 180.008 179.788 0.220 19427 9222 1 20 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.588 0.729 19427 9223 1 20 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.581 0.333 19427 9224 1 20 . 1 1 19 19 ALA H H 19 8.872 8.872 8.687 0.185 19427 9225 1 20 . 1 1 20 20 GLU N N 20 118.522 118.522 118.713 -0.191 19427 9226 1 20 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.032 0.082 19427 9227 1 20 . 1 1 20 20 GLU C C 20 177.573 177.573 177.748 -0.175 19427 9228 1 20 . 1 1 20 20 GLU CA C 20 59.636 59.636 59.015 0.621 19427 9229 1 20 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.176 -0.338 19427 9230 1 20 . 1 1 20 20 GLU H H 20 9.459 9.459 8.796 0.663 19427 9231 1 20 . 1 1 21 21 LYS N N 21 115.147 115.147 115.133 0.014 19427 9232 1 20 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.332 0.320 19427 9233 1 20 . 1 1 21 21 LYS C C 21 177.045 177.045 176.651 0.394 19427 9234 1 20 . 1 1 21 21 LYS CA C 21 56.987 56.987 56.476 0.511 19427 9235 1 20 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.990 -0.038 19427 9236 1 20 . 1 1 21 21 LYS H H 21 7.441 7.441 7.632 -0.191 19427 9237 1 20 . 1 1 22 22 ALA N N 22 119.898 119.898 120.633 -0.735 19427 9238 1 20 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.535 -0.391 19427 9239 1 20 . 1 1 22 22 ALA C C 22 177.520 177.520 178.063 -0.543 19427 9240 1 20 . 1 1 22 22 ALA CA C 22 53.181 53.181 51.598 1.583 19427 9241 1 20 . 1 1 22 22 ALA CB C 22 20.231 20.231 19.356 0.875 19427 9242 1 20 . 1 1 22 22 ALA H H 22 8.096 8.096 8.064 0.032 19427 9243 1 20 . 1 1 23 23 GLY N N 23 107.148 107.148 109.080 -1.932 19427 9244 1 20 . 1 1 23 23 GLY CA C 23 49.012 49.012 47.916 1.096 19427 9245 1 20 . 1 1 23 23 GLY H H 23 8.484 8.484 8.191 0.293 19427 9246 1 20 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.351 -0.177 19427 9247 1 20 . 1 1 24 24 PRO C C 24 179.318 179.318 178.282 1.036 19427 9248 1 20 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.276 0.677 19427 9249 1 20 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.361 0.010 19427 9250 1 20 . 1 1 25 25 LEU N N 25 118.416 118.416 119.790 -1.374 19427 9251 1 20 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.352 0.004 19427 9252 1 20 . 1 1 25 25 LEU C C 25 177.871 177.871 179.003 -1.132 19427 9253 1 20 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.361 0.574 19427 9254 1 20 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.678 0.672 19427 9255 1 20 . 1 1 25 25 LEU H H 25 7.394 7.394 7.907 -0.513 19427 9256 1 20 . 1 1 26 26 GLN N N 26 119.819 119.819 118.463 1.356 19427 9257 1 20 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.985 -0.091 19427 9258 1 20 . 1 1 26 26 GLN C C 26 179.865 179.865 178.679 1.186 19427 9259 1 20 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.516 0.256 19427 9260 1 20 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.417 -0.863 19427 9261 1 20 . 1 1 26 26 GLN H H 26 8.885 8.885 8.270 0.615 19427 9262 1 20 . 1 1 27 27 ARG N N 27 119.761 119.761 120.128 -0.367 19427 9263 1 20 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.161 -0.020 19427 9264 1 20 . 1 1 27 27 ARG C C 27 178.950 178.950 178.609 0.341 19427 9265 1 20 . 1 1 27 27 ARG CA C 27 59.636 59.636 58.416 1.220 19427 9266 1 20 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.676 0.740 19427 9267 1 20 . 1 1 27 27 ARG H H 27 8.694 8.694 7.613 1.081 19427 9268 1 20 . 1 1 28 28 TYR N N 28 122.540 122.540 121.822 0.718 19427 9269 1 20 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.115 0.056 19427 9270 1 20 . 1 1 28 28 TYR C C 28 177.843 177.843 176.935 0.908 19427 9271 1 20 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.880 0.398 19427 9272 1 20 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.404 1.310 19427 9273 1 20 . 1 1 28 28 TYR H H 28 8.211 8.211 8.714 -0.503 19427 9274 1 20 . 1 1 29 29 ALA N N 29 120.477 120.477 121.236 -0.759 19427 9275 1 20 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.798 -0.036 19427 9276 1 20 . 1 1 29 29 ALA C C 29 178.739 178.739 178.898 -0.159 19427 9277 1 20 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.225 -0.040 19427 9278 1 20 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.112 -0.183 19427 9279 1 20 . 1 1 29 29 ALA H H 29 9.065 9.065 8.683 0.382 19427 9280 1 20 . 1 1 30 30 ALA N N 30 118.596 118.596 120.729 -2.133 19427 9281 1 20 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.351 -0.064 19427 9282 1 20 . 1 1 30 30 ALA C C 30 180.895 180.895 179.622 1.273 19427 9283 1 20 . 1 1 30 30 ALA CA C 30 55.076 55.076 54.708 0.368 19427 9284 1 20 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.279 -0.193 19427 9285 1 20 . 1 1 30 30 ALA H H 30 7.741 7.741 8.053 -0.312 19427 9286 1 20 . 1 1 31 31 THR N N 31 116.024 116.024 115.987 0.037 19427 9287 1 20 . 1 1 31 31 THR HA H 31 3.995 3.995 4.027 -0.032 19427 9288 1 20 . 1 1 31 31 THR C C 31 176.687 176.687 176.474 0.213 19427 9289 1 20 . 1 1 31 31 THR CA C 31 66.452 66.452 66.528 -0.076 19427 9290 1 20 . 1 1 31 31 THR CB C 31 68.867 68.867 68.541 0.326 19427 9291 1 20 . 1 1 31 31 THR H H 31 7.914 7.914 7.701 0.213 19427 9292 1 20 . 1 1 32 32 ILE N N 32 121.094 121.094 121.586 -0.492 19427 9293 1 20 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.518 0.297 19427 9294 1 20 . 1 1 32 32 ILE C C 32 178.583 178.583 177.912 0.671 19427 9295 1 20 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.267 0.886 19427 9296 1 20 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.009 0.931 19427 9297 1 20 . 1 1 32 32 ILE H H 32 7.846 7.846 8.401 -0.555 19427 9298 1 20 . 1 1 33 33 GLN N N 33 119.832 119.832 119.708 0.124 19427 9299 1 20 . 1 1 33 33 GLN HA H 33 3.839 3.839 4.009 -0.170 19427 9300 1 20 . 1 1 33 33 GLN C C 33 178.264 178.264 179.064 -0.800 19427 9301 1 20 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.178 0.680 19427 9302 1 20 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.545 0.820 19427 9303 1 20 . 1 1 33 33 GLN H H 33 8.374 8.374 8.291 0.083 19427 9304 1 20 . 1 1 34 34 SER N N 34 112.726 112.726 114.647 -1.921 19427 9305 1 20 . 1 1 34 34 SER HA H 34 4.333 4.333 4.205 0.128 19427 9306 1 20 . 1 1 34 34 SER C C 34 176.817 176.817 176.764 0.053 19427 9307 1 20 . 1 1 34 34 SER CA C 34 60.915 60.915 61.227 -0.312 19427 9308 1 20 . 1 1 34 34 SER CB C 34 63.235 63.235 62.577 0.659 19427 9309 1 20 . 1 1 34 34 SER H H 34 7.816 7.816 7.674 0.142 19427 9310 1 20 . 1 1 35 35 GLN N N 35 120.724 120.724 120.097 0.627 19427 9311 1 20 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.122 0.072 19427 9312 1 20 . 1 1 35 35 GLN C C 35 177.930 177.930 178.084 -0.154 19427 9313 1 20 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.874 0.235 19427 9314 1 20 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.666 0.522 19427 9315 1 20 . 1 1 35 35 GLN H H 35 8.034 8.034 7.761 0.273 19427 9316 1 20 . 1 1 36 36 ARG N N 36 116.267 116.267 117.310 -1.043 19427 9317 1 20 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.350 0.048 19427 9318 1 20 . 1 1 36 36 ARG C C 36 177.013 177.013 177.526 -0.513 19427 9319 1 20 . 1 1 36 36 ARG CA C 36 56.424 56.424 55.847 0.577 19427 9320 1 20 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.730 0.688 19427 9321 1 20 . 1 1 36 36 ARG H H 36 8.091 8.091 8.154 -0.063 19427 9322 1 20 . 1 1 37 37 GLY N N 37 109.299 109.299 107.587 1.712 19427 9323 1 20 . 1 1 37 37 GLY C C 37 173.661 173.661 173.855 -0.194 19427 9324 1 20 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.352 0.918 19427 9325 1 20 . 1 1 37 37 GLY H H 37 7.972 7.972 8.045 -0.073 19427 9326 1 20 . 1 1 38 38 ASP N N 38 119.246 119.246 121.072 -1.826 19427 9327 1 20 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.928 -0.213 19427 9328 1 20 . 1 1 38 38 ASP C C 38 175.405 175.405 174.641 0.764 19427 9329 1 20 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.485 -0.314 19427 9330 1 20 . 1 1 38 38 ASP CB C 38 41.640 41.640 42.719 -1.079 19427 9331 1 20 . 1 1 38 38 ASP H H 38 7.838 7.838 7.758 0.080 19427 9332 1 20 . 1 1 39 39 TYR N N 39 121.210 121.210 120.982 0.228 19427 9333 1 20 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.832 -0.305 19427 9334 1 20 . 1 1 39 39 TYR C C 39 176.937 176.937 173.076 3.861 19427 9335 1 20 . 1 1 39 39 TYR CA C 39 58.128 58.128 56.900 1.228 19427 9336 1 20 . 1 1 39 39 TYR CB C 39 38.588 38.588 40.245 -1.657 19427 9337 1 20 . 1 1 39 39 TYR H H 39 8.202 8.202 8.036 0.166 19427 9338 1 20 . 1 1 40 40 ASN N N 40 120.622 120.622 119.067 1.555 19427 9339 1 20 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.750 -0.131 19427 9340 1 20 . 1 1 40 40 ASN C C 40 175.853 175.853 174.245 1.608 19427 9341 1 20 . 1 1 40 40 ASN CA C 40 54.383 54.383 52.831 1.552 19427 9342 1 20 . 1 1 40 40 ASN CB C 40 39.506 39.506 40.693 -1.187 19427 9343 1 20 . 1 1 40 40 ASN H H 40 8.393 8.393 8.780 -0.387 19427 9344 1 20 . 1 1 41 41 GLY N N 41 107.971 107.971 110.985 -3.014 19427 9345 1 20 . 1 1 41 41 GLY C C 41 173.926 173.926 174.242 -0.316 19427 9346 1 20 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.841 0.089 19427 9347 1 20 . 1 1 41 41 GLY H H 41 8.103 8.103 8.807 -0.704 19427 9348 1 20 . 1 1 42 42 LYS N N 42 119.472 119.472 118.270 1.202 19427 9349 1 20 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.390 0.099 19427 9350 1 20 . 1 1 42 42 LYS C C 42 176.201 176.201 175.605 0.596 19427 9351 1 20 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.713 -0.004 19427 9352 1 20 . 1 1 42 42 LYS CB C 42 34.345 34.345 34.337 0.009 19427 9353 1 20 . 1 1 42 42 LYS H H 42 8.652 8.652 8.118 0.534 19427 9354 1 20 . 1 1 43 43 VAL N N 43 112.852 112.852 113.886 -1.034 19427 9355 1 20 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.166 0.164 19427 9356 1 20 . 1 1 43 43 VAL C C 43 174.906 174.906 174.641 0.265 19427 9357 1 20 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.764 -0.500 19427 9358 1 20 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.834 0.119 19427 9359 1 20 . 1 1 43 43 VAL H H 43 7.840 7.840 8.435 -0.595 19427 9360 1 20 . 1 1 44 44 LEU N N 44 123.642 123.642 122.598 1.044 19427 9361 1 20 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.855 -0.066 19427 9362 1 20 . 1 1 44 44 LEU C C 44 175.260 175.260 175.449 -0.189 19427 9363 1 20 . 1 1 44 44 LEU CA C 44 53.876 53.876 54.084 -0.208 19427 9364 1 20 . 1 1 44 44 LEU CB C 44 47.498 47.498 46.105 1.393 19427 9365 1 20 . 1 1 44 44 LEU H H 44 8.610 8.610 9.101 -0.491 19427 9366 1 20 . 1 1 45 45 SER N N 45 124.267 124.267 124.147 0.120 19427 9367 1 20 . 1 1 45 45 SER HA H 45 5.052 5.052 5.176 -0.124 19427 9368 1 20 . 1 1 45 45 SER C C 45 174.246 174.246 174.632 -0.386 19427 9369 1 20 . 1 1 45 45 SER CA C 45 58.852 58.852 57.910 0.942 19427 9370 1 20 . 1 1 45 45 SER CB C 45 63.509 63.509 62.530 0.979 19427 9371 1 20 . 1 1 45 45 SER H H 45 9.111 9.111 8.693 0.418 19427 9372 1 20 . 1 1 46 46 ILE N N 46 118.924 118.924 121.190 -2.266 19427 9373 1 20 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.667 0.113 19427 9374 1 20 . 1 1 46 46 ILE C C 46 174.199 174.199 174.613 -0.414 19427 9375 1 20 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.864 0.738 19427 9376 1 20 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.563 1.032 19427 9377 1 20 . 1 1 46 46 ILE H H 46 8.542 8.542 8.759 -0.217 19427 9378 1 20 . 1 1 47 47 ARG N N 47 119.572 119.572 119.165 0.407 19427 9379 1 20 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.860 0.005 19427 9380 1 20 . 1 1 47 47 ARG C C 47 178.511 178.511 177.867 0.644 19427 9381 1 20 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.657 -0.149 19427 9382 1 20 . 1 1 47 47 ARG CB C 47 33.318 33.318 33.227 0.091 19427 9383 1 20 . 1 1 47 47 ARG H H 47 9.488 9.488 8.413 1.075 19427 9384 1 20 . 1 1 48 48 GLN N N 48 122.809 122.809 119.366 3.443 19427 9385 1 20 . 1 1 48 48 GLN HA H 48 3.818 3.818 3.963 -0.145 19427 9386 1 20 . 1 1 48 48 GLN C C 48 178.972 178.972 177.707 1.265 19427 9387 1 20 . 1 1 48 48 GLN CA C 48 60.527 60.527 60.041 0.486 19427 9388 1 20 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.525 -0.241 19427 9389 1 20 . 1 1 48 48 GLN H H 48 9.350 9.350 9.143 0.207 19427 9390 1 20 . 1 1 49 49 ASP N N 49 115.682 115.682 116.166 -0.484 19427 9391 1 20 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.351 0.009 19427 9392 1 20 . 1 1 49 49 ASP C C 49 178.758 178.758 177.193 1.565 19427 9393 1 20 . 1 1 49 49 ASP CA C 49 57.357 57.357 56.461 0.896 19427 9394 1 20 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.267 0.216 19427 9395 1 20 . 1 1 49 49 ASP H H 49 8.855 8.855 8.553 0.302 19427 9396 1 20 . 1 1 50 50 ASP N N 50 117.926 117.926 119.204 -1.278 19427 9397 1 20 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.601 0.011 19427 9398 1 20 . 1 1 50 50 ASP C C 50 177.865 177.865 178.459 -0.594 19427 9399 1 20 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.196 1.879 19427 9400 1 20 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.786 -0.147 19427 9401 1 20 . 1 1 50 50 ASP H H 50 7.519 7.519 7.508 0.011 19427 9402 1 20 . 1 1 51 51 LEU N N 51 118.893 118.893 122.238 -3.345 19427 9403 1 20 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.987 -0.075 19427 9404 1 20 . 1 1 51 51 LEU C C 51 178.254 178.254 178.216 0.038 19427 9405 1 20 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.808 0.321 19427 9406 1 20 . 1 1 51 51 LEU CB C 51 41.397 41.397 42.016 -0.619 19427 9407 1 20 . 1 1 51 51 LEU H H 51 7.444 7.444 8.352 -0.908 19427 9408 1 20 . 1 1 52 52 ARG N N 52 117.366 117.366 117.261 0.105 19427 9409 1 20 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.913 -0.003 19427 9410 1 20 . 1 1 52 52 ARG C C 52 178.886 178.886 178.437 0.449 19427 9411 1 20 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.666 0.619 19427 9412 1 20 . 1 1 52 52 ARG CB C 52 29.818 29.818 30.031 -0.213 19427 9413 1 20 . 1 1 52 52 ARG H H 52 7.757 7.757 7.990 -0.233 19427 9414 1 20 . 1 1 53 53 THR N N 53 118.266 118.266 116.805 1.461 19427 9415 1 20 . 1 1 53 53 THR HA H 53 3.924 3.924 4.034 -0.110 19427 9416 1 20 . 1 1 53 53 THR C C 53 176.626 176.626 175.954 0.672 19427 9417 1 20 . 1 1 53 53 THR CA C 53 67.001 67.001 66.777 0.224 19427 9418 1 20 . 1 1 53 53 THR CB C 53 68.759 68.759 68.430 0.329 19427 9419 1 20 . 1 1 53 53 THR H H 53 7.973 7.973 8.004 -0.031 19427 9420 1 20 . 1 1 54 54 LEU N N 54 122.030 122.030 120.839 1.191 19427 9421 1 20 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.359 0.450 19427 9422 1 20 . 1 1 54 54 LEU C C 54 177.755 177.755 177.809 -0.054 19427 9423 1 20 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.341 0.482 19427 9424 1 20 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.930 2.159 19427 9425 1 20 . 1 1 54 54 LEU H H 54 8.355 8.355 7.191 1.164 19427 9426 1 20 . 1 1 55 55 ALA N N 55 122.634 122.634 121.077 1.557 19427 9427 1 20 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.952 -0.060 19427 9428 1 20 . 1 1 55 55 ALA C C 55 179.192 179.192 179.233 -0.041 19427 9429 1 20 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.242 1.263 19427 9430 1 20 . 1 1 55 55 ALA CB C 55 17.164 17.164 17.950 -0.786 19427 9431 1 20 . 1 1 55 55 ALA H H 55 8.195 8.195 7.503 0.692 19427 9432 1 20 . 1 1 56 56 VAL N N 56 118.079 118.079 117.337 0.742 19427 9433 1 20 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.649 0.212 19427 9434 1 20 . 1 1 56 56 VAL C C 56 180.389 180.389 177.906 2.483 19427 9435 1 20 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.478 1.109 19427 9436 1 20 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.797 -0.104 19427 9437 1 20 . 1 1 56 56 VAL H H 56 7.402 7.402 7.066 0.336 19427 9438 1 20 . 1 1 57 57 ILE N N 57 122.536 122.536 119.398 3.138 19427 9439 1 20 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.657 -0.053 19427 9440 1 20 . 1 1 57 57 ILE C C 57 177.942 177.942 177.483 0.459 19427 9441 1 20 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.280 1.563 19427 9442 1 20 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.909 0.477 19427 9443 1 20 . 1 1 57 57 ILE H H 57 7.893 7.893 7.277 0.616 19427 9444 1 20 . 1 1 58 58 TYR N N 58 117.060 117.060 116.917 0.143 19427 9445 1 20 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.501 -0.370 19427 9446 1 20 . 1 1 58 58 TYR C C 58 174.728 174.728 175.455 -0.727 19427 9447 1 20 . 1 1 58 58 TYR CA C 58 60.764 60.764 56.862 3.902 19427 9448 1 20 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.805 1.222 19427 9449 1 20 . 1 1 58 58 TYR H H 58 8.319 8.319 7.795 0.524 19427 9450 1 20 . 1 1 59 59 ASP N N 59 122.545 122.545 114.448 8.097 19427 9451 1 20 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.247 0.103 19427 9452 1 20 . 1 1 59 59 ASP C C 59 174.853 174.853 175.437 -0.584 19427 9453 1 20 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.507 -0.394 19427 9454 1 20 . 1 1 59 59 ASP CB C 59 39.812 39.812 38.633 1.179 19427 9455 1 20 . 1 1 59 59 ASP H H 59 8.177 8.177 8.026 0.151 19427 9456 1 20 . 1 1 60 60 GLN N N 60 116.007 116.007 117.929 -1.922 19427 9457 1 20 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.626 0.104 19427 9458 1 20 . 1 1 60 60 GLN C C 60 174.853 174.853 174.113 0.740 19427 9459 1 20 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.866 -0.353 19427 9460 1 20 . 1 1 60 60 GLN CB C 60 34.384 34.384 31.719 2.665 19427 9461 1 20 . 1 1 60 60 GLN H H 60 8.424 8.424 8.002 0.422 19427 9462 1 20 . 1 1 61 61 SER N N 61 116.009 116.009 115.376 0.633 19427 9463 1 20 . 1 1 61 61 SER HA H 61 4.783 4.783 4.734 0.049 19427 9464 1 20 . 1 1 61 61 SER CA C 61 56.443 56.443 55.053 1.390 19427 9465 1 20 . 1 1 61 61 SER CB C 61 62.811 62.811 64.158 -1.347 19427 9466 1 20 . 1 1 61 61 SER H H 61 8.424 8.424 8.427 -0.003 19427 9467 1 20 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.142 -0.106 19427 9468 1 20 . 1 1 62 62 PRO C C 62 179.161 179.161 178.173 0.988 19427 9469 1 20 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.338 1.158 19427 9470 1 20 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.717 0.063 19427 9471 1 20 . 1 1 63 63 SER N N 63 114.103 114.103 113.514 0.589 19427 9472 1 20 . 1 1 63 63 SER HA H 63 4.838 4.838 4.115 0.723 19427 9473 1 20 . 1 1 63 63 SER C C 63 176.141 176.141 176.351 -0.210 19427 9474 1 20 . 1 1 63 63 SER CB C 63 62.293 62.293 62.581 -0.288 19427 9475 1 20 . 1 1 63 63 SER H H 63 8.596 8.596 7.691 0.905 19427 9476 1 20 . 1 1 64 64 VAL N N 64 125.461 125.461 123.430 2.031 19427 9477 1 20 . 1 1 64 64 VAL HA H 64 3.561 3.561 4.158 -0.597 19427 9478 1 20 . 1 1 64 64 VAL C C 64 178.754 178.754 177.648 1.106 19427 9479 1 20 . 1 1 64 64 VAL CA C 64 66.432 66.432 64.087 2.345 19427 9480 1 20 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.672 0.345 19427 9481 1 20 . 1 1 64 64 VAL H H 64 7.381 7.381 7.521 -0.141 19427 9482 1 20 . 1 1 65 65 LEU N N 65 121.843 121.843 121.765 0.078 19427 9483 1 20 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.110 -0.211 19427 9484 1 20 . 1 1 65 65 LEU C C 65 178.836 178.836 178.736 0.100 19427 9485 1 20 . 1 1 65 65 LEU CA C 65 57.312 57.312 57.936 -0.624 19427 9486 1 20 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.965 0.290 19427 9487 1 20 . 1 1 65 65 LEU H H 65 8.437 8.437 8.223 0.214 19427 9488 1 20 . 1 1 66 66 THR N N 66 115.794 115.794 114.850 0.944 19427 9489 1 20 . 1 1 66 66 THR HA H 66 3.321 3.321 3.854 -0.533 19427 9490 1 20 . 1 1 66 66 THR C C 66 175.591 175.591 176.562 -0.971 19427 9491 1 20 . 1 1 66 66 THR CA C 66 69.056 69.056 67.126 1.930 19427 9492 1 20 . 1 1 66 66 THR CB C 66 67.992 67.992 68.600 -0.608 19427 9493 1 20 . 1 1 66 66 THR H H 66 8.079 8.079 8.134 -0.055 19427 9494 1 20 . 1 1 67 67 GLU N N 67 118.543 118.543 121.202 -2.659 19427 9495 1 20 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.865 -0.024 19427 9496 1 20 . 1 1 67 67 GLU C C 67 179.342 179.342 178.766 0.576 19427 9497 1 20 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.424 -0.199 19427 9498 1 20 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.132 -0.211 19427 9499 1 20 . 1 1 67 67 GLU H H 67 7.594 7.594 7.468 0.126 19427 9500 1 20 . 1 1 68 68 GLN N N 68 120.882 120.882 118.834 2.048 19427 9501 1 20 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.425 0.275 19427 9502 1 20 . 1 1 68 68 GLN C C 68 177.403 177.403 177.882 -0.479 19427 9503 1 20 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.014 0.380 19427 9504 1 20 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.661 0.713 19427 9505 1 20 . 1 1 68 68 GLN H H 68 7.847 7.847 7.873 -0.026 19427 9506 1 20 . 1 1 69 69 LEU N N 69 118.421 118.421 118.820 -0.399 19427 9507 1 20 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.945 -0.472 19427 9508 1 20 . 1 1 69 69 LEU C C 69 180.177 180.177 179.124 1.053 19427 9509 1 20 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.304 1.109 19427 9510 1 20 . 1 1 69 69 LEU CB C 69 40.971 40.971 40.697 0.274 19427 9511 1 20 . 1 1 69 69 LEU H H 69 7.986 7.986 7.135 0.851 19427 9512 1 20 . 1 1 70 70 ILE N N 70 121.346 121.346 120.025 1.321 19427 9513 1 20 . 1 1 70 70 ILE HA H 70 4.160 4.160 4.013 0.147 19427 9514 1 20 . 1 1 70 70 ILE C C 70 180.910 180.910 178.657 2.253 19427 9515 1 20 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.812 0.238 19427 9516 1 20 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.987 0.358 19427 9517 1 20 . 1 1 70 70 ILE H H 70 8.262 8.262 7.605 0.657 19427 9518 1 20 . 1 1 71 71 SER N N 71 120.236 120.236 114.991 5.245 19427 9519 1 20 . 1 1 71 71 SER HA H 71 4.273 4.273 4.228 0.045 19427 9520 1 20 . 1 1 71 71 SER C C 71 177.045 177.045 176.363 0.682 19427 9521 1 20 . 1 1 71 71 SER CA C 71 62.544 62.544 60.952 1.592 19427 9522 1 20 . 1 1 71 71 SER CB C 71 62.839 62.839 62.785 0.054 19427 9523 1 20 . 1 1 71 71 SER H H 71 8.388 8.388 8.131 0.257 19427 9524 1 20 . 1 1 72 72 TRP N N 72 119.364 119.364 120.447 -1.083 19427 9525 1 20 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.724 0.202 19427 9526 1 20 . 1 1 72 72 TRP C C 72 176.839 176.839 176.932 -0.093 19427 9527 1 20 . 1 1 72 72 TRP CA C 72 55.764 55.764 57.560 -1.796 19427 9528 1 20 . 1 1 72 72 TRP CB C 72 31.264 31.264 28.815 2.449 19427 9529 1 20 . 1 1 72 72 TRP H H 72 8.066 8.066 7.834 0.232 19427 9530 1 20 . 1 1 73 73 GLY N N 73 106.514 106.514 106.614 -0.100 19427 9531 1 20 . 1 1 73 73 GLY C C 73 174.697 174.697 174.118 0.579 19427 9532 1 20 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.563 -0.160 19427 9533 1 20 . 1 1 73 73 GLY H H 73 8.242 8.242 7.582 0.660 19427 9534 1 20 . 1 1 74 74 VAL N N 74 114.793 114.793 117.117 -2.324 19427 9535 1 20 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.291 -0.094 19427 9536 1 20 . 1 1 74 74 VAL C C 74 174.015 174.015 175.253 -1.238 19427 9537 1 20 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.495 -0.382 19427 9538 1 20 . 1 1 74 74 VAL CB C 74 32.849 32.849 33.103 -0.254 19427 9539 1 20 . 1 1 74 74 VAL H H 74 7.834 7.834 8.379 -0.545 19427 9540 1 20 . 1 1 75 75 LEU N N 75 118.357 118.357 120.297 -1.940 19427 9541 1 20 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.801 0.110 19427 9542 1 20 . 1 1 75 75 LEU C C 75 175.022 175.022 175.538 -0.516 19427 9543 1 20 . 1 1 75 75 LEU CA C 75 52.632 52.632 53.248 -0.616 19427 9544 1 20 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.292 1.866 19427 9545 1 20 . 1 1 75 75 LEU H H 75 6.898 6.898 7.619 -0.721 19427 9546 1 20 . 1 1 76 76 ASP N N 76 122.400 122.400 123.004 -0.604 19427 9547 1 20 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.633 -0.030 19427 9548 1 20 . 1 1 76 76 ASP C C 76 176.384 176.384 177.049 -0.665 19427 9549 1 20 . 1 1 76 76 ASP CA C 76 54.383 54.383 53.952 0.431 19427 9550 1 20 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.190 0.037 19427 9551 1 20 . 1 1 76 76 ASP H H 76 8.412 8.412 8.578 -0.166 19427 9552 1 20 . 1 1 77 77 ALA N N 77 123.828 123.828 128.021 -4.193 19427 9553 1 20 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.004 0.050 19427 9554 1 20 . 1 1 77 77 ALA C C 77 179.068 179.068 179.187 -0.119 19427 9555 1 20 . 1 1 77 77 ALA CA C 77 54.731 54.731 55.031 -0.299 19427 9556 1 20 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.799 -0.050 19427 9557 1 20 . 1 1 77 77 ALA H H 77 8.601 8.601 8.585 0.016 19427 9558 1 20 . 1 1 78 78 ASP N N 78 118.882 118.882 118.576 0.306 19427 9559 1 20 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.391 0.122 19427 9560 1 20 . 1 1 78 78 ASP C C 78 174.868 174.868 177.922 -3.054 19427 9561 1 20 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.451 -0.173 19427 9562 1 20 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.660 0.248 19427 9563 1 20 . 1 1 78 78 ASP H H 78 8.791 8.791 8.107 0.684 19427 9564 1 20 . 1 1 79 79 ALA N N 79 121.027 121.027 122.785 -1.758 19427 9565 1 20 . 1 1 79 79 ALA HA H 79 4.001 4.001 3.960 0.041 19427 9566 1 20 . 1 1 79 79 ALA C C 79 178.803 178.803 179.239 -0.436 19427 9567 1 20 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.694 -0.303 19427 9568 1 20 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.468 1.452 19427 9569 1 20 . 1 1 79 79 ALA H H 79 8.287 8.287 7.523 0.764 19427 9570 1 20 . 1 1 80 80 ARG N N 80 115.805 115.805 117.241 -1.436 19427 9571 1 20 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.909 0.015 19427 9572 1 20 . 1 1 80 80 ARG C C 80 178.254 178.254 178.288 -0.034 19427 9573 1 20 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.602 0.626 19427 9574 1 20 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.577 0.680 19427 9575 1 20 . 1 1 80 80 ARG H H 80 7.689 7.689 7.868 -0.179 19427 9576 1 20 . 1 1 81 81 ARG N N 81 117.554 117.554 120.714 -3.160 19427 9577 1 20 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.004 0.202 19427 9578 1 20 . 1 1 81 81 ARG C C 81 177.214 177.214 178.391 -1.177 19427 9579 1 20 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.572 -0.879 19427 9580 1 20 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.759 0.484 19427 9581 1 20 . 1 1 81 81 ARG H H 81 7.782 7.782 8.269 -0.487 19427 9582 1 20 . 1 1 82 82 ALA N N 82 121.590 121.590 120.324 1.266 19427 9583 1 20 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.176 0.103 19427 9584 1 20 . 1 1 82 82 ALA C C 82 177.798 177.798 178.119 -0.321 19427 9585 1 20 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.615 -1.360 19427 9586 1 20 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.147 0.416 19427 9587 1 20 . 1 1 82 82 ALA H H 82 7.875 7.875 7.843 0.032 19427 9588 1 20 . 1 1 83 83 VAL N N 83 114.483 114.483 115.842 -1.359 19427 9589 1 20 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.231 -0.090 19427 9590 1 20 . 1 1 83 83 VAL C C 83 175.572 175.572 174.235 1.337 19427 9591 1 20 . 1 1 83 83 VAL CA C 83 62.041 62.041 60.878 1.163 19427 9592 1 20 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.874 -0.093 19427 9593 1 20 . 1 1 83 83 VAL H H 83 7.503 7.503 7.431 0.072 19427 9594 1 20 . 1 1 84 84 ALA N N 84 125.870 125.870 123.893 1.977 19427 9595 1 20 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.279 0.042 19427 9596 1 20 . 1 1 84 84 ALA C C 84 177.696 177.696 177.142 0.554 19427 9597 1 20 . 1 1 84 84 ALA CA C 84 52.771 52.771 53.275 -0.504 19427 9598 1 20 . 1 1 84 84 ALA CB C 84 19.512 19.512 18.674 0.838 19427 9599 1 20 . 1 1 84 84 ALA H H 84 7.876 7.876 7.264 0.612 19427 9600 1 20 . 1 1 85 85 SER N N 85 114.965 114.965 118.247 -3.282 19427 9601 1 20 . 1 1 85 85 SER HA H 85 4.396 4.396 4.558 -0.162 19427 9602 1 20 . 1 1 85 85 SER CA C 85 58.393 58.393 57.896 0.497 19427 9603 1 20 . 1 1 85 85 SER CB C 85 63.915 63.915 64.868 -0.953 19427 9604 1 20 . 1 1 85 85 SER H H 85 8.521 8.521 8.076 0.445 19427 9605 1 20 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.277 0.389 19427 9606 1 20 . 1 1 86 86 HIS C C 86 174.868 174.868 173.268 1.600 19427 9607 1 20 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.244 0.077 19427 9608 1 20 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.310 0.002 19427 9609 1 20 . 1 1 87 87 ASP N N 87 121.205 121.205 125.980 -4.775 19427 9610 1 20 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.661 -0.058 19427 9611 1 20 . 1 1 87 87 ASP C C 87 175.917 175.917 175.492 0.425 19427 9612 1 20 . 1 1 87 87 ASP CA C 87 54.577 54.577 53.751 0.826 19427 9613 1 20 . 1 1 87 87 ASP CB C 87 41.256 41.256 42.846 -1.590 19427 9614 1 20 . 1 1 87 87 ASP H H 87 8.326 8.326 8.137 0.189 19427 9615 1 20 . 1 1 88 88 GLU N N 88 121.167 121.167 121.197 -0.030 19427 9616 1 20 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.092 0.225 19427 9617 1 20 . 1 1 88 88 GLU C C 88 175.455 175.455 176.683 -1.228 19427 9618 1 20 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.718 -0.346 19427 9619 1 20 . 1 1 88 88 GLU CB C 88 30.373 30.373 29.177 1.196 19427 9620 1 20 . 1 1 88 88 GLU H H 88 8.352 8.352 8.532 -0.180 19427 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 79 2.190 0.232 2.192 19427 2 1 1 "Average Difference" HA 88 0.222 -0.043 0.219 19427 3 1 1 "Average Difference" C 80 0.898 -0.172 0.887 19427 4 1 1 "Average Difference" CA 83 1.082 -0.249 1.059 19427 5 1 1 "Average Difference" CB 80 0.886 -0.356 0.816 19427 6 1 1 "Average Difference" HN 79 0.471 -0.100 0.463 19427 7 1 2 "Average Difference" N 79 2.136 0.327 2.124 19427 8 1 2 "Average Difference" HA 88 0.225 -0.010 0.226 19427 9 1 2 "Average Difference" C 80 0.863 -0.199 0.845 19427 10 1 2 "Average Difference" CA 83 1.061 -0.420 0.980 19427 11 1 2 "Average Difference" CB 80 0.956 -0.353 0.894 19427 12 1 2 "Average Difference" HN 79 0.481 -0.109 0.471 19427 13 1 3 "Average Difference" N 79 2.315 0.259 2.315 19427 14 1 3 "Average Difference" HA 88 0.261 -0.030 0.261 19427 15 1 3 "Average Difference" C 80 0.969 -0.112 0.969 19427 16 1 3 "Average Difference" CA 83 0.990 -0.270 0.958 19427 17 1 3 "Average Difference" CB 80 0.914 -0.350 0.850 19427 18 1 3 "Average Difference" HN 79 0.426 -0.036 0.427 19427 19 1 4 "Average Difference" N 79 2.451 0.355 2.441 19427 20 1 4 "Average Difference" HA 88 0.238 -0.010 0.240 19427 21 1 4 "Average Difference" C 80 0.893 -0.086 0.894 19427 22 1 4 "Average Difference" CA 83 1.137 -0.296 1.105 19427 23 1 4 "Average Difference" CB 80 0.922 -0.396 0.838 19427 24 1 4 "Average Difference" HN 79 0.397 -0.064 0.394 19427 25 1 5 "Average Difference" N 79 2.174 0.151 2.183 19427 26 1 5 "Average Difference" HA 88 0.226 -0.043 0.223 19427 27 1 5 "Average Difference" C 80 0.846 -0.160 0.836 19427 28 1 5 "Average Difference" CA 83 1.123 -0.240 1.103 19427 29 1 5 "Average Difference" CB 80 0.859 -0.302 0.809 19427 30 1 5 "Average Difference" HN 79 0.438 -0.087 0.432 19427 31 1 6 "Average Difference" N 79 2.511 0.234 2.516 19427 32 1 6 "Average Difference" HA 88 0.228 -0.039 0.225 19427 33 1 6 "Average Difference" C 80 0.890 -0.106 0.889 19427 34 1 6 "Average Difference" CA 83 1.055 -0.303 1.016 19427 35 1 6 "Average Difference" CB 80 0.941 -0.342 0.883 19427 36 1 6 "Average Difference" HN 79 0.465 -0.147 0.444 19427 37 1 7 "Average Difference" N 79 2.264 0.762 2.146 19427 38 1 7 "Average Difference" HA 88 0.217 -0.012 0.218 19427 39 1 7 "Average Difference" C 80 0.897 -0.130 0.894 19427 40 1 7 "Average Difference" CA 83 1.062 -0.390 0.994 19427 41 1 7 "Average Difference" CB 80 1.014 -0.410 0.933 19427 42 1 7 "Average Difference" HN 79 0.412 -0.046 0.412 19427 43 1 8 "Average Difference" N 79 2.251 0.293 2.246 19427 44 1 8 "Average Difference" HA 88 0.243 -0.051 0.239 19427 45 1 8 "Average Difference" C 80 0.961 -0.206 0.944 19427 46 1 8 "Average Difference" CA 83 0.891 -0.265 0.855 19427 47 1 8 "Average Difference" CB 80 0.994 -0.323 0.946 19427 48 1 8 "Average Difference" HN 79 0.431 -0.071 0.428 19427 49 1 9 "Average Difference" N 79 2.045 0.315 2.034 19427 50 1 9 "Average Difference" HA 88 0.219 -0.001 0.221 19427 51 1 9 "Average Difference" C 80 0.889 -0.181 0.876 19427 52 1 9 "Average Difference" CA 83 1.166 -0.373 1.111 19427 53 1 9 "Average Difference" CB 80 1.042 -0.400 0.968 19427 54 1 9 "Average Difference" HN 79 0.471 -0.096 0.464 19427 55 1 10 "Average Difference" N 79 2.470 0.154 2.481 19427 56 1 10 "Average Difference" HA 88 0.236 -0.024 0.236 19427 57 1 10 "Average Difference" C 80 0.933 -0.150 0.926 19427 58 1 10 "Average Difference" CA 83 1.084 -0.279 1.054 19427 59 1 10 "Average Difference" CB 80 0.997 -0.322 0.950 19427 60 1 10 "Average Difference" HN 79 0.428 -0.071 0.425 19427 61 1 11 "Average Difference" N 79 2.452 0.317 2.447 19427 62 1 11 "Average Difference" HA 88 0.237 -0.054 0.232 19427 63 1 11 "Average Difference" C 80 0.921 -0.149 0.915 19427 64 1 11 "Average Difference" CA 83 0.947 -0.274 0.912 19427 65 1 11 "Average Difference" CB 80 1.004 -0.418 0.918 19427 66 1 11 "Average Difference" HN 79 0.426 -0.085 0.420 19427 67 1 12 "Average Difference" N 79 2.319 0.355 2.306 19427 68 1 12 "Average Difference" HA 88 0.223 -0.029 0.223 19427 69 1 12 "Average Difference" C 80 0.914 -0.168 0.904 19427 70 1 12 "Average Difference" CA 83 0.927 -0.244 0.899 19427 71 1 12 "Average Difference" CB 80 0.911 -0.282 0.872 19427 72 1 12 "Average Difference" HN 79 0.441 -0.053 0.440 19427 73 1 13 "Average Difference" N 79 2.437 0.263 2.438 19427 74 1 13 "Average Difference" HA 88 0.253 -0.000 0.255 19427 75 1 13 "Average Difference" C 80 0.976 -0.127 0.974 19427 76 1 13 "Average Difference" CA 83 1.050 -0.284 1.017 19427 77 1 13 "Average Difference" CB 80 0.878 -0.340 0.814 19427 78 1 13 "Average Difference" HN 79 0.369 -0.041 0.369 19427 79 1 14 "Average Difference" N 79 2.369 0.342 2.359 19427 80 1 14 "Average Difference" HA 88 0.229 -0.042 0.226 19427 81 1 14 "Average Difference" C 80 0.911 -0.029 0.916 19427 82 1 14 "Average Difference" CA 83 1.102 -0.211 1.088 19427 83 1 14 "Average Difference" CB 80 0.981 -0.422 0.891 19427 84 1 14 "Average Difference" HN 79 0.451 -0.070 0.448 19427 85 1 15 "Average Difference" N 79 2.205 0.345 2.191 19427 86 1 15 "Average Difference" HA 88 0.244 -0.052 0.240 19427 87 1 15 "Average Difference" C 80 0.876 -0.105 0.875 19427 88 1 15 "Average Difference" CA 83 0.893 -0.292 0.849 19427 89 1 15 "Average Difference" CB 80 0.890 -0.317 0.836 19427 90 1 15 "Average Difference" HN 79 0.431 -0.042 0.432 19427 91 1 16 "Average Difference" N 79 2.218 0.253 2.217 19427 92 1 16 "Average Difference" HA 88 0.231 -0.015 0.232 19427 93 1 16 "Average Difference" C 80 0.989 -0.259 0.961 19427 94 1 16 "Average Difference" CA 83 1.108 -0.352 1.057 19427 95 1 16 "Average Difference" CB 80 0.914 -0.296 0.870 19427 96 1 16 "Average Difference" HN 79 0.485 -0.118 0.474 19427 97 1 17 "Average Difference" N 79 2.123 0.251 2.122 19427 98 1 17 "Average Difference" HA 88 0.218 -0.011 0.219 19427 99 1 17 "Average Difference" C 80 0.856 -0.132 0.851 19427 100 1 17 "Average Difference" CA 83 1.047 -0.340 0.997 19427 101 1 17 "Average Difference" CB 80 1.064 -0.424 0.982 19427 102 1 17 "Average Difference" HN 79 0.439 -0.085 0.433 19427 103 1 18 "Average Difference" N 79 2.270 0.433 2.242 19427 104 1 18 "Average Difference" HA 88 0.235 -0.038 0.233 19427 105 1 18 "Average Difference" C 80 0.920 -0.166 0.910 19427 106 1 18 "Average Difference" CA 83 1.010 -0.245 0.986 19427 107 1 18 "Average Difference" CB 80 0.977 -0.420 0.887 19427 108 1 18 "Average Difference" HN 79 0.387 0.006 0.389 19427 109 1 19 "Average Difference" N 79 2.561 0.803 2.447 19427 110 1 19 "Average Difference" HA 88 0.269 -0.067 0.262 19427 111 1 19 "Average Difference" C 80 0.980 -0.053 0.985 19427 112 1 19 "Average Difference" CA 83 1.050 -0.221 1.033 19427 113 1 19 "Average Difference" CB 80 0.970 -0.510 0.830 19427 114 1 19 "Average Difference" HN 79 0.445 -0.062 0.444 19427 115 1 20 "Average Difference" N 79 2.302 0.385 2.284 19427 116 1 20 "Average Difference" HA 88 0.225 -0.024 0.225 19427 117 1 20 "Average Difference" C 80 0.986 -0.220 0.968 19427 118 1 20 "Average Difference" CA 83 0.938 -0.403 0.852 19427 119 1 20 "Average Difference" CB 80 0.935 -0.286 0.895 19427 120 1 20 "Average Difference" HN 79 0.484 -0.089 0.479 19427 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 19427 _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 5 5 PRO HA H 5 4.401 4.401 4.395 0.006 19427 2 1 . 1 1 5 5 PRO C C 5 176.334 176.334 176.039 0.295 19427 3 1 . 1 1 5 5 PRO CA C 5 62.783 62.783 63.018 -0.235 19427 4 1 . 1 1 5 5 PRO CB C 5 32.354 32.354 31.918 0.436 19427 5 1 . 1 1 6 6 LYS N N 6 121.980 121.980 123.003 -1.023 19427 6 1 . 1 1 6 6 LYS HA H 6 4.374 4.374 4.465 -0.091 19427 7 1 . 1 1 6 6 LYS C C 6 175.715 175.715 176.286 -0.571 19427 8 1 . 1 1 6 6 LYS CA C 6 56.172 56.172 55.292 0.879 19427 9 1 . 1 1 6 6 LYS CB C 6 33.270 33.270 33.440 -0.170 19427 10 1 . 1 1 6 6 LYS H H 6 8.546 8.546 8.201 0.345 19427 11 1 . 1 1 7 7 LEU N N 7 125.018 125.018 126.800 -1.782 19427 12 1 . 1 1 7 7 LEU HA H 7 4.523 4.523 4.492 0.031 19427 13 1 . 1 1 7 7 LEU C C 7 174.994 174.994 175.482 -0.488 19427 14 1 . 1 1 7 7 LEU CA C 7 54.050 54.050 54.139 -0.089 19427 15 1 . 1 1 7 7 LEU CB C 7 43.171 43.171 42.268 0.903 19427 16 1 . 1 1 7 7 LEU H H 7 8.620 8.620 8.737 -0.117 19427 17 1 . 1 1 8 8 VAL N N 8 121.522 121.522 124.748 -3.226 19427 18 1 . 1 1 8 8 VAL HA H 8 4.547 4.547 4.574 -0.027 19427 19 1 . 1 1 8 8 VAL C C 8 175.042 175.042 175.076 -0.034 19427 20 1 . 1 1 8 8 VAL CA C 8 61.206 61.206 61.352 -0.146 19427 21 1 . 1 1 8 8 VAL CB C 8 34.596 34.596 32.275 2.321 19427 22 1 . 1 1 8 8 VAL H H 8 8.084 8.084 8.377 -0.293 19427 23 1 . 1 1 9 9 LEU N N 9 126.312 126.312 129.263 -2.951 19427 24 1 . 1 1 9 9 LEU HA H 9 4.940 4.940 4.934 0.006 19427 25 1 . 1 1 9 9 LEU C C 9 175.831 175.831 175.282 0.549 19427 26 1 . 1 1 9 9 LEU CA C 9 53.546 53.546 53.296 0.250 19427 27 1 . 1 1 9 9 LEU CB C 9 44.233 44.233 43.879 0.354 19427 28 1 . 1 1 9 9 LEU H H 9 9.137 9.137 9.189 -0.052 19427 29 1 . 1 1 10 10 ASP N N 10 123.236 123.236 126.214 -2.978 19427 30 1 . 1 1 10 10 ASP HA H 10 4.848 4.848 4.839 0.009 19427 31 1 . 1 1 10 10 ASP C C 10 176.685 176.685 176.869 -0.184 19427 32 1 . 1 1 10 10 ASP CA C 10 53.593 53.593 54.264 -0.671 19427 33 1 . 1 1 10 10 ASP CB C 10 40.820 40.820 41.730 -0.910 19427 34 1 . 1 1 10 10 ASP H H 10 9.002 9.002 8.664 0.338 19427 35 1 . 1 1 11 11 LEU N N 11 124.059 124.059 126.211 -2.152 19427 36 1 . 1 1 11 11 LEU HA H 11 4.066 4.066 4.126 -0.060 19427 37 1 . 1 1 11 11 LEU C C 11 180.169 180.169 178.666 1.503 19427 38 1 . 1 1 11 11 LEU CA C 11 57.013 57.013 57.297 -0.284 19427 39 1 . 1 1 11 11 LEU CB C 11 40.850 40.850 42.074 -1.224 19427 40 1 . 1 1 11 11 LEU H H 11 8.273 8.273 8.714 -0.441 19427 41 1 . 1 1 12 12 GLU N N 12 121.967 121.967 119.248 2.719 19427 42 1 . 1 1 12 12 GLU HA H 12 4.174 4.174 4.052 0.122 19427 43 1 . 1 1 12 12 GLU C C 12 179.719 179.719 178.881 0.838 19427 44 1 . 1 1 12 12 GLU CA C 12 59.628 59.628 59.178 0.450 19427 45 1 . 1 1 12 12 GLU CB C 12 29.560 29.560 29.428 0.132 19427 46 1 . 1 1 12 12 GLU H H 12 8.273 8.273 7.933 0.340 19427 47 1 . 1 1 13 13 ARG N N 13 119.595 119.595 119.896 -0.301 19427 48 1 . 1 1 13 13 ARG HA H 13 4.172 4.172 4.166 0.006 19427 49 1 . 1 1 13 13 ARG C C 13 179.909 179.909 179.034 0.876 19427 50 1 . 1 1 13 13 ARG CA C 13 57.311 57.311 57.807 -0.496 19427 51 1 . 1 1 13 13 ARG CB C 13 29.555 29.555 29.848 -0.293 19427 52 1 . 1 1 13 13 ARG H H 13 8.081 8.081 8.993 -0.912 19427 53 1 . 1 1 14 14 LEU N N 14 120.325 120.325 120.195 0.130 19427 54 1 . 1 1 14 14 LEU HA H 14 3.947 3.947 4.137 -0.190 19427 55 1 . 1 1 14 14 LEU C C 14 177.166 177.166 178.181 -1.015 19427 56 1 . 1 1 14 14 LEU CA C 14 57.574 57.574 57.514 0.059 19427 57 1 . 1 1 14 14 LEU CB C 14 41.798 41.798 41.679 0.119 19427 58 1 . 1 1 14 14 LEU H H 14 8.205 8.205 7.939 0.266 19427 59 1 . 1 1 15 15 ALA N N 15 117.835 117.835 118.517 -0.682 19427 60 1 . 1 1 15 15 ALA HA H 15 4.125 4.125 4.211 -0.086 19427 61 1 . 1 1 15 15 ALA C C 15 178.500 178.500 178.125 0.375 19427 62 1 . 1 1 15 15 ALA CA C 15 54.320 54.320 53.963 0.357 19427 63 1 . 1 1 15 15 ALA CB C 15 18.712 18.712 18.813 -0.101 19427 64 1 . 1 1 15 15 ALA H H 15 7.265 7.265 7.566 -0.301 19427 65 1 . 1 1 16 16 THR N N 16 105.967 105.967 111.304 -5.337 19427 66 1 . 1 1 16 16 THR HA H 16 4.378 4.378 4.266 0.112 19427 67 1 . 1 1 16 16 THR C C 16 174.639 174.639 174.681 -0.042 19427 68 1 . 1 1 16 16 THR CA C 16 61.642 61.642 62.671 -1.029 19427 69 1 . 1 1 16 16 THR CB C 16 69.957 69.957 69.327 0.630 19427 70 1 . 1 1 16 16 THR H H 16 7.530 7.530 7.450 0.080 19427 71 1 . 1 1 17 17 VAL N N 17 126.962 126.962 124.259 2.703 19427 72 1 . 1 1 17 17 VAL HA H 17 3.985 3.985 4.056 -0.070 19427 73 1 . 1 1 17 17 VAL CA C 17 60.535 60.535 59.587 0.948 19427 74 1 . 1 1 17 17 VAL CB C 17 32.388 32.388 31.670 0.718 19427 75 1 . 1 1 17 17 VAL H H 17 7.208 7.208 7.251 -0.043 19427 76 1 . 1 1 18 18 PRO HA H 18 4.268 4.268 4.237 0.031 19427 77 1 . 1 1 18 18 PRO C C 18 178.094 178.094 177.380 0.714 19427 78 1 . 1 1 18 18 PRO CA C 18 63.848 63.848 63.258 0.590 19427 79 1 . 1 1 18 18 PRO CB C 18 32.711 32.711 32.219 0.492 19427 80 1 . 1 1 19 19 ALA N N 19 128.383 128.383 127.548 0.835 19427 81 1 . 1 1 19 19 ALA HA H 19 3.944 3.944 3.971 -0.027 19427 82 1 . 1 1 19 19 ALA C C 19 180.008 180.008 179.613 0.395 19427 83 1 . 1 1 19 19 ALA CA C 19 55.317 55.317 54.681 0.637 19427 84 1 . 1 1 19 19 ALA CB C 19 18.914 18.914 18.597 0.317 19427 85 1 . 1 1 19 19 ALA H H 19 8.872 8.872 8.605 0.267 19427 86 1 . 1 1 20 20 GLU N N 20 118.522 118.522 117.842 0.680 19427 87 1 . 1 1 20 20 GLU HA H 20 4.114 4.114 4.055 0.059 19427 88 1 . 1 1 20 20 GLU C C 20 177.573 177.573 177.725 -0.152 19427 89 1 . 1 1 20 20 GLU CA C 20 59.636 59.636 58.687 0.949 19427 90 1 . 1 1 20 20 GLU CB C 20 28.838 28.838 29.186 -0.348 19427 91 1 . 1 1 20 20 GLU H H 20 9.459 9.459 8.773 0.686 19427 92 1 . 1 1 21 21 LYS N N 21 115.147 115.147 116.814 -1.667 19427 93 1 . 1 1 21 21 LYS HA H 21 4.652 4.652 4.319 0.333 19427 94 1 . 1 1 21 21 LYS C C 21 177.045 177.045 177.333 -0.288 19427 95 1 . 1 1 21 21 LYS CA C 21 56.987 56.987 57.201 -0.214 19427 96 1 . 1 1 21 21 LYS CB C 21 33.952 33.952 33.727 0.225 19427 97 1 . 1 1 21 21 LYS H H 21 7.441 7.441 7.651 -0.210 19427 98 1 . 1 1 22 22 ALA N N 22 119.898 119.898 120.599 -0.701 19427 99 1 . 1 1 22 22 ALA HA H 22 4.144 4.144 4.464 -0.320 19427 100 1 . 1 1 22 22 ALA C C 22 177.520 177.520 178.850 -1.330 19427 101 1 . 1 1 22 22 ALA CA C 22 53.181 53.181 52.670 0.511 19427 102 1 . 1 1 22 22 ALA CB C 22 20.231 20.231 18.870 1.361 19427 103 1 . 1 1 22 22 ALA H H 22 8.096 8.096 8.167 -0.071 19427 104 1 . 1 1 23 23 GLY N N 23 107.148 107.148 108.818 -1.670 19427 105 1 . 1 1 23 23 GLY CA C 23 49.012 49.012 48.030 0.982 19427 106 1 . 1 1 23 23 GLY H H 23 8.484 8.484 8.065 0.419 19427 107 1 . 1 1 24 24 PRO HA H 24 4.174 4.174 4.379 -0.205 19427 108 1 . 1 1 24 24 PRO C C 24 179.318 179.318 178.165 1.154 19427 109 1 . 1 1 24 24 PRO CA C 24 65.953 65.953 65.281 0.672 19427 110 1 . 1 1 24 24 PRO CB C 24 31.371 31.371 31.409 -0.038 19427 111 1 . 1 1 25 25 LEU N N 25 118.416 118.416 119.809 -1.393 19427 112 1 . 1 1 25 25 LEU HA H 25 4.356 4.356 4.469 -0.113 19427 113 1 . 1 1 25 25 LEU C C 25 177.871 177.871 178.817 -0.946 19427 114 1 . 1 1 25 25 LEU CA C 25 57.935 57.935 57.198 0.737 19427 115 1 . 1 1 25 25 LEU CB C 25 42.350 42.350 41.696 0.654 19427 116 1 . 1 1 25 25 LEU H H 25 7.394 7.394 7.677 -0.283 19427 117 1 . 1 1 26 26 GLN N N 26 119.819 119.819 118.677 1.142 19427 118 1 . 1 1 26 26 GLN HA H 26 3.894 3.894 3.997 -0.103 19427 119 1 . 1 1 26 26 GLN C C 26 179.865 179.865 178.780 1.085 19427 120 1 . 1 1 26 26 GLN CA C 26 59.771 59.771 59.371 0.400 19427 121 1 . 1 1 26 26 GLN CB C 26 27.554 27.554 28.303 -0.749 19427 122 1 . 1 1 26 26 GLN H H 26 8.885 8.885 8.617 0.268 19427 123 1 . 1 1 27 27 ARG N N 27 119.761 119.761 120.035 -0.274 19427 124 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.095 0.046 19427 125 1 . 1 1 27 27 ARG C C 27 178.950 178.950 178.647 0.303 19427 126 1 . 1 1 27 27 ARG CA C 27 59.636 59.636 59.094 0.542 19427 127 1 . 1 1 27 27 ARG CB C 27 30.416 30.416 29.935 0.481 19427 128 1 . 1 1 27 27 ARG H H 27 8.694 8.694 7.941 0.753 19427 129 1 . 1 1 28 28 TYR N N 28 122.540 122.540 121.410 1.130 19427 130 1 . 1 1 28 28 TYR HA H 28 4.171 4.171 4.152 0.019 19427 131 1 . 1 1 28 28 TYR C C 28 177.843 177.843 177.197 0.646 19427 132 1 . 1 1 28 28 TYR CA C 28 62.278 62.278 61.585 0.693 19427 133 1 . 1 1 28 28 TYR CB C 28 39.713 39.713 38.428 1.285 19427 134 1 . 1 1 28 28 TYR H H 28 8.211 8.211 8.227 -0.016 19427 135 1 . 1 1 29 29 ALA N N 29 120.477 120.477 121.086 -0.609 19427 136 1 . 1 1 29 29 ALA HA H 29 3.762 3.762 3.884 -0.122 19427 137 1 . 1 1 29 29 ALA C C 29 178.739 178.739 179.167 -0.428 19427 138 1 . 1 1 29 29 ALA CA C 29 55.185 55.185 55.251 -0.066 19427 139 1 . 1 1 29 29 ALA CB C 29 17.929 17.929 18.004 -0.075 19427 140 1 . 1 1 29 29 ALA H H 29 9.065 9.065 8.664 0.401 19427 141 1 . 1 1 30 30 ALA N N 30 118.596 118.596 120.677 -2.081 19427 142 1 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.137 0.150 19427 143 1 . 1 1 30 30 ALA C C 30 180.895 180.895 179.732 1.163 19427 144 1 . 1 1 30 30 ALA CA C 30 55.076 55.076 55.050 0.026 19427 145 1 . 1 1 30 30 ALA CB C 30 18.086 18.086 18.278 -0.192 19427 146 1 . 1 1 30 30 ALA H H 30 7.741 7.741 8.296 -0.555 19427 147 1 . 1 1 31 31 THR N N 31 116.024 116.024 116.539 -0.515 19427 148 1 . 1 1 31 31 THR HA H 31 3.995 3.995 4.007 -0.012 19427 149 1 . 1 1 31 31 THR C C 31 176.687 176.687 176.481 0.206 19427 150 1 . 1 1 31 31 THR CA C 31 66.452 66.452 66.931 -0.479 19427 151 1 . 1 1 31 31 THR CB C 31 68.867 68.867 68.587 0.280 19427 152 1 . 1 1 31 31 THR H H 31 7.914 7.914 7.864 0.050 19427 153 1 . 1 1 32 32 ILE N N 32 121.094 121.094 121.798 -0.704 19427 154 1 . 1 1 32 32 ILE HA H 32 3.815 3.815 3.599 0.216 19427 155 1 . 1 1 32 32 ILE C C 32 178.583 178.583 177.890 0.693 19427 156 1 . 1 1 32 32 ILE CA C 32 64.153 64.153 63.926 0.227 19427 157 1 . 1 1 32 32 ILE CB C 32 36.940 36.940 36.636 0.304 19427 158 1 . 1 1 32 32 ILE H H 32 7.846 7.846 8.132 -0.286 19427 159 1 . 1 1 33 33 GLN N N 33 119.832 119.832 119.215 0.617 19427 160 1 . 1 1 33 33 GLN HA H 33 3.839 3.839 3.964 -0.125 19427 161 1 . 1 1 33 33 GLN C C 33 178.264 178.264 178.879 -0.615 19427 162 1 . 1 1 33 33 GLN CA C 33 59.858 59.858 59.176 0.682 19427 163 1 . 1 1 33 33 GLN CB C 33 29.365 29.365 28.370 0.995 19427 164 1 . 1 1 33 33 GLN H H 33 8.374 8.374 8.472 -0.098 19427 165 1 . 1 1 34 34 SER N N 34 112.726 112.726 114.895 -2.169 19427 166 1 . 1 1 34 34 SER HA H 34 4.333 4.333 4.090 0.243 19427 167 1 . 1 1 34 34 SER C C 34 176.817 176.817 176.810 0.007 19427 168 1 . 1 1 34 34 SER CA C 34 60.915 60.915 61.474 -0.559 19427 169 1 . 1 1 34 34 SER CB C 34 63.235 63.235 62.871 0.364 19427 170 1 . 1 1 34 34 SER H H 34 7.816 7.816 8.066 -0.250 19427 171 1 . 1 1 35 35 GLN N N 35 120.724 120.724 120.224 0.500 19427 172 1 . 1 1 35 35 GLN HA H 35 4.194 4.194 4.146 0.048 19427 173 1 . 1 1 35 35 GLN C C 35 177.930 177.930 177.973 -0.043 19427 174 1 . 1 1 35 35 GLN CA C 35 58.109 58.109 57.984 0.125 19427 175 1 . 1 1 35 35 GLN CB C 35 29.188 29.188 28.737 0.451 19427 176 1 . 1 1 35 35 GLN H H 35 8.034 8.034 7.905 0.129 19427 177 1 . 1 1 36 36 ARG N N 36 116.267 116.267 117.715 -1.448 19427 178 1 . 1 1 36 36 ARG HA H 36 4.398 4.398 4.332 0.066 19427 179 1 . 1 1 36 36 ARG C C 36 177.013 177.013 177.278 -0.265 19427 180 1 . 1 1 36 36 ARG CA C 36 56.424 56.424 56.116 0.308 19427 181 1 . 1 1 36 36 ARG CB C 36 31.418 31.418 30.746 0.672 19427 182 1 . 1 1 36 36 ARG H H 36 8.091 8.091 8.069 0.022 19427 183 1 . 1 1 37 37 GLY N N 37 109.299 109.299 108.190 1.109 19427 184 1 . 1 1 37 37 GLY C C 37 173.661 173.661 173.938 -0.277 19427 185 1 . 1 1 37 37 GLY CA C 37 46.270 46.270 45.248 1.022 19427 186 1 . 1 1 37 37 GLY H H 37 7.972 7.972 7.868 0.104 19427 187 1 . 1 1 38 38 ASP N N 38 119.246 119.246 120.494 -1.248 19427 188 1 . 1 1 38 38 ASP HA H 38 4.715 4.715 4.613 0.102 19427 189 1 . 1 1 38 38 ASP C C 38 175.405 175.405 174.873 0.532 19427 190 1 . 1 1 38 38 ASP CA C 38 53.171 53.171 53.611 -0.440 19427 191 1 . 1 1 38 38 ASP CB C 38 41.640 41.640 41.982 -0.342 19427 192 1 . 1 1 38 38 ASP H H 38 7.838 7.838 8.027 -0.189 19427 193 1 . 1 1 39 39 TYR N N 39 121.210 121.210 122.113 -0.903 19427 194 1 . 1 1 39 39 TYR HA H 39 4.527 4.527 4.620 -0.093 19427 195 1 . 1 1 39 39 TYR C C 39 176.937 176.937 174.869 2.068 19427 196 1 . 1 1 39 39 TYR CA C 39 58.128 58.128 57.547 0.581 19427 197 1 . 1 1 39 39 TYR CB C 39 38.588 38.588 38.921 -0.333 19427 198 1 . 1 1 39 39 TYR H H 39 8.202 8.202 8.192 0.010 19427 199 1 . 1 1 40 40 ASN N N 40 120.622 120.622 121.268 -0.646 19427 200 1 . 1 1 40 40 ASN HA H 40 4.619 4.619 4.668 -0.049 19427 201 1 . 1 1 40 40 ASN C C 40 175.853 175.853 175.829 0.024 19427 202 1 . 1 1 40 40 ASN CA C 40 54.383 54.383 53.630 0.753 19427 203 1 . 1 1 40 40 ASN CB C 40 39.506 39.506 39.065 0.441 19427 204 1 . 1 1 40 40 ASN H H 40 8.393 8.393 8.438 -0.045 19427 205 1 . 1 1 41 41 GLY N N 41 107.971 107.971 109.553 -1.582 19427 206 1 . 1 1 41 41 GLY C C 41 173.926 173.926 174.328 -0.402 19427 207 1 . 1 1 41 41 GLY CA C 41 45.930 45.930 45.438 0.492 19427 208 1 . 1 1 41 41 GLY H H 41 8.103 8.103 8.429 -0.326 19427 209 1 . 1 1 42 42 LYS N N 42 119.472 119.472 119.826 -0.354 19427 210 1 . 1 1 42 42 LYS HA H 42 4.489 4.489 4.401 0.088 19427 211 1 . 1 1 42 42 LYS C C 42 176.201 176.201 175.739 0.462 19427 212 1 . 1 1 42 42 LYS CA C 42 57.709 57.709 57.532 0.177 19427 213 1 . 1 1 42 42 LYS CB C 42 34.345 34.345 33.802 0.543 19427 214 1 . 1 1 42 42 LYS H H 42 8.652 8.652 8.096 0.556 19427 215 1 . 1 1 43 43 VAL N N 43 112.852 112.852 112.628 0.224 19427 216 1 . 1 1 43 43 VAL HA H 43 5.330 5.330 5.128 0.202 19427 217 1 . 1 1 43 43 VAL C C 43 174.906 174.906 174.308 0.598 19427 218 1 . 1 1 43 43 VAL CA C 43 59.264 59.264 59.646 -0.382 19427 219 1 . 1 1 43 43 VAL CB C 43 35.953 35.953 35.208 0.746 19427 220 1 . 1 1 43 43 VAL H H 43 7.840 7.840 7.636 0.204 19427 221 1 . 1 1 44 44 LEU N N 44 123.642 123.642 123.575 0.067 19427 222 1 . 1 1 44 44 LEU HA H 44 4.789 4.789 4.854 -0.065 19427 223 1 . 1 1 44 44 LEU C C 44 175.260 175.260 175.027 0.233 19427 224 1 . 1 1 44 44 LEU CA C 44 53.876 53.876 53.868 0.008 19427 225 1 . 1 1 44 44 LEU CB C 44 47.498 47.498 45.903 1.595 19427 226 1 . 1 1 44 44 LEU H H 44 8.610 8.610 9.006 -0.396 19427 227 1 . 1 1 45 45 SER N N 45 124.267 124.267 122.467 1.800 19427 228 1 . 1 1 45 45 SER HA H 45 5.052 5.052 5.288 -0.236 19427 229 1 . 1 1 45 45 SER C C 45 174.246 174.246 174.225 0.021 19427 230 1 . 1 1 45 45 SER CA C 45 58.852 58.852 57.327 1.525 19427 231 1 . 1 1 45 45 SER CB C 45 63.509 63.509 63.291 0.218 19427 232 1 . 1 1 45 45 SER H H 45 9.111 9.111 8.614 0.497 19427 233 1 . 1 1 46 46 ILE N N 46 118.924 118.924 121.726 -2.802 19427 234 1 . 1 1 46 46 ILE HA H 46 4.780 4.780 4.713 0.066 19427 235 1 . 1 1 46 46 ILE C C 46 174.199 174.199 174.325 -0.126 19427 236 1 . 1 1 46 46 ILE CA C 46 59.602 59.602 58.949 0.653 19427 237 1 . 1 1 46 46 ILE CB C 46 41.595 41.595 40.960 0.635 19427 238 1 . 1 1 46 46 ILE H H 46 8.542 8.542 8.964 -0.422 19427 239 1 . 1 1 47 47 ARG N N 47 119.572 119.572 119.526 0.046 19427 240 1 . 1 1 47 47 ARG HA H 47 4.865 4.865 4.729 0.136 19427 241 1 . 1 1 47 47 ARG C C 47 178.511 178.511 178.008 0.503 19427 242 1 . 1 1 47 47 ARG CA C 47 54.508 54.508 54.501 0.007 19427 243 1 . 1 1 47 47 ARG CB C 47 33.318 33.318 31.954 1.364 19427 244 1 . 1 1 47 47 ARG H H 47 9.488 9.488 8.910 0.578 19427 245 1 . 1 1 48 48 GLN N N 48 122.809 122.809 120.542 2.267 19427 246 1 . 1 1 48 48 GLN HA H 48 3.818 3.818 4.005 -0.187 19427 247 1 . 1 1 48 48 GLN C C 48 178.972 178.972 177.414 1.558 19427 248 1 . 1 1 48 48 GLN CA C 48 60.527 60.527 59.556 0.971 19427 249 1 . 1 1 48 48 GLN CB C 48 28.284 28.284 28.233 0.051 19427 250 1 . 1 1 48 48 GLN H H 48 9.350 9.350 8.935 0.415 19427 251 1 . 1 1 49 49 ASP N N 49 115.682 115.682 118.767 -3.085 19427 252 1 . 1 1 49 49 ASP HA H 49 4.360 4.360 4.428 -0.068 19427 253 1 . 1 1 49 49 ASP C C 49 178.758 178.758 177.818 0.940 19427 254 1 . 1 1 49 49 ASP CA C 49 57.357 57.357 57.082 0.275 19427 255 1 . 1 1 49 49 ASP CB C 49 40.483 40.483 40.262 0.221 19427 256 1 . 1 1 49 49 ASP H H 49 8.855 8.855 8.574 0.281 19427 257 1 . 1 1 50 50 ASP N N 50 117.926 117.926 120.347 -2.421 19427 258 1 . 1 1 50 50 ASP HA H 50 4.612 4.612 4.488 0.124 19427 259 1 . 1 1 50 50 ASP C C 50 177.865 177.865 178.473 -0.608 19427 260 1 . 1 1 50 50 ASP CA C 50 58.075 58.075 56.993 1.082 19427 261 1 . 1 1 50 50 ASP CB C 50 41.639 41.639 41.001 0.637 19427 262 1 . 1 1 50 50 ASP H H 50 7.519 7.519 7.836 -0.317 19427 263 1 . 1 1 51 51 LEU N N 51 118.893 118.893 121.222 -2.329 19427 264 1 . 1 1 51 51 LEU HA H 51 3.912 3.912 3.985 -0.073 19427 265 1 . 1 1 51 51 LEU C C 51 178.254 178.254 178.236 0.018 19427 266 1 . 1 1 51 51 LEU CA C 51 58.129 58.129 57.761 0.368 19427 267 1 . 1 1 51 51 LEU CB C 51 41.397 41.397 41.934 -0.537 19427 268 1 . 1 1 51 51 LEU H H 51 7.444 7.444 7.894 -0.450 19427 269 1 . 1 1 52 52 ARG N N 52 117.366 117.366 117.739 -0.373 19427 270 1 . 1 1 52 52 ARG HA H 52 3.910 3.910 3.947 -0.037 19427 271 1 . 1 1 52 52 ARG C C 52 178.886 178.886 178.455 0.431 19427 272 1 . 1 1 52 52 ARG CA C 52 60.285 60.285 59.461 0.824 19427 273 1 . 1 1 52 52 ARG CB C 52 29.818 29.818 29.836 -0.018 19427 274 1 . 1 1 52 52 ARG H H 52 7.757 7.757 7.980 -0.223 19427 275 1 . 1 1 53 53 THR N N 53 118.266 118.266 116.927 1.339 19427 276 1 . 1 1 53 53 THR HA H 53 3.924 3.924 4.002 -0.078 19427 277 1 . 1 1 53 53 THR C C 53 176.626 176.626 176.247 0.379 19427 278 1 . 1 1 53 53 THR CA C 53 67.001 67.001 66.396 0.605 19427 279 1 . 1 1 53 53 THR CB C 53 68.759 68.759 68.509 0.251 19427 280 1 . 1 1 53 53 THR H H 53 7.973 7.973 7.681 0.292 19427 281 1 . 1 1 54 54 LEU N N 54 122.030 122.030 121.138 0.892 19427 282 1 . 1 1 54 54 LEU HA H 54 3.809 3.809 3.423 0.386 19427 283 1 . 1 1 54 54 LEU C C 54 177.755 177.755 178.054 -0.299 19427 284 1 . 1 1 54 54 LEU CA C 54 57.823 57.823 57.734 0.089 19427 285 1 . 1 1 54 54 LEU CB C 54 43.089 43.089 40.964 2.125 19427 286 1 . 1 1 54 54 LEU H H 54 8.355 8.355 7.748 0.607 19427 287 1 . 1 1 55 55 ALA N N 55 122.634 122.634 120.492 2.142 19427 288 1 . 1 1 55 55 ALA HA H 55 3.892 3.892 3.955 -0.063 19427 289 1 . 1 1 55 55 ALA C C 55 179.192 179.192 179.228 -0.036 19427 290 1 . 1 1 55 55 ALA CA C 55 56.505 56.505 55.124 1.381 19427 291 1 . 1 1 55 55 ALA CB C 55 17.164 17.164 18.001 -0.837 19427 292 1 . 1 1 55 55 ALA H H 55 8.195 8.195 7.689 0.506 19427 293 1 . 1 1 56 56 VAL N N 56 118.079 118.079 118.079 0.000 19427 294 1 . 1 1 56 56 VAL HA H 56 3.861 3.861 3.683 0.178 19427 295 1 . 1 1 56 56 VAL C C 56 180.389 180.389 178.199 2.190 19427 296 1 . 1 1 56 56 VAL CA C 56 66.587 66.587 65.874 0.714 19427 297 1 . 1 1 56 56 VAL CB C 56 31.693 31.693 31.599 0.094 19427 298 1 . 1 1 56 56 VAL H H 56 7.402 7.402 7.216 0.185 19427 299 1 . 1 1 57 57 ILE N N 57 122.536 122.536 119.793 2.743 19427 300 1 . 1 1 57 57 ILE HA H 57 3.604 3.604 3.624 -0.020 19427 301 1 . 1 1 57 57 ILE C C 57 177.942 177.942 177.253 0.689 19427 302 1 . 1 1 57 57 ILE CA C 57 65.843 65.843 64.484 1.360 19427 303 1 . 1 1 57 57 ILE CB C 57 38.386 38.386 37.724 0.662 19427 304 1 . 1 1 57 57 ILE H H 57 7.893 7.893 7.375 0.518 19427 305 1 . 1 1 58 58 TYR N N 58 117.060 117.060 115.988 1.072 19427 306 1 . 1 1 58 58 TYR HA H 58 4.131 4.131 4.566 -0.435 19427 307 1 . 1 1 58 58 TYR C C 58 174.728 174.728 175.376 -0.648 19427 308 1 . 1 1 58 58 TYR CA C 58 60.764 60.764 55.964 4.800 19427 309 1 . 1 1 58 58 TYR CB C 58 39.027 39.027 37.822 1.205 19427 310 1 . 1 1 58 58 TYR H H 58 8.319 8.319 7.445 0.874 19427 311 1 . 1 1 59 59 ASP N N 59 122.545 122.545 118.403 4.142 19427 312 1 . 1 1 59 59 ASP HA H 59 4.350 4.350 4.310 0.039 19427 313 1 . 1 1 59 59 ASP C C 59 174.853 174.853 175.077 -0.224 19427 314 1 . 1 1 59 59 ASP CA C 59 55.113 55.113 55.469 -0.356 19427 315 1 . 1 1 59 59 ASP CB C 59 39.812 39.812 39.675 0.137 19427 316 1 . 1 1 59 59 ASP H H 59 8.177 8.177 7.821 0.356 19427 317 1 . 1 1 60 60 GLN N N 60 116.007 116.007 118.422 -2.414 19427 318 1 . 1 1 60 60 GLN HA H 60 4.730 4.730 4.653 0.077 19427 319 1 . 1 1 60 60 GLN C C 60 174.853 174.853 174.466 0.387 19427 320 1 . 1 1 60 60 GLN CA C 60 53.513 53.513 53.948 -0.435 19427 321 1 . 1 1 60 60 GLN CB C 60 34.384 34.384 32.275 2.109 19427 322 1 . 1 1 60 60 GLN H H 60 8.424 8.424 8.261 0.163 19427 323 1 . 1 1 61 61 SER N N 61 116.009 116.009 116.609 -0.600 19427 324 1 . 1 1 61 61 SER HA H 61 4.783 4.783 4.712 0.071 19427 325 1 . 1 1 61 61 SER CA C 61 56.443 56.443 55.673 0.770 19427 326 1 . 1 1 61 61 SER CB C 61 62.811 62.811 63.649 -0.838 19427 327 1 . 1 1 61 61 SER H H 61 8.424 8.424 8.490 -0.066 19427 328 1 . 1 1 62 62 PRO HA H 62 4.036 4.036 4.150 -0.114 19427 329 1 . 1 1 62 62 PRO C C 62 179.161 179.161 178.463 0.698 19427 330 1 . 1 1 62 62 PRO CA C 62 66.496 66.496 65.594 0.903 19427 331 1 . 1 1 62 62 PRO CB C 62 31.780 31.780 31.761 0.019 19427 332 1 . 1 1 63 63 SER N N 63 114.103 114.103 113.453 0.651 19427 333 1 . 1 1 63 63 SER HA H 63 4.838 4.838 4.145 0.693 19427 334 1 . 1 1 63 63 SER C C 63 176.141 176.141 176.561 -0.420 19427 335 1 . 1 1 63 63 SER CB C 63 62.293 62.293 62.598 -0.305 19427 336 1 . 1 1 63 63 SER H H 63 8.596 8.596 8.110 0.486 19427 337 1 . 1 1 64 64 VAL N N 64 125.461 125.461 121.755 3.706 19427 338 1 . 1 1 64 64 VAL HA H 64 3.561 3.561 3.861 -0.300 19427 339 1 . 1 1 64 64 VAL C C 64 178.754 178.754 177.642 1.112 19427 340 1 . 1 1 64 64 VAL CA C 64 66.432 66.432 65.110 1.322 19427 341 1 . 1 1 64 64 VAL CB C 64 32.017 32.017 31.383 0.634 19427 342 1 . 1 1 64 64 VAL H H 64 7.381 7.381 7.447 -0.066 19427 343 1 . 1 1 65 65 LEU N N 65 121.843 121.843 121.835 0.008 19427 344 1 . 1 1 65 65 LEU HA H 65 3.899 3.899 4.049 -0.150 19427 345 1 . 1 1 65 65 LEU C C 65 178.836 178.836 178.678 0.158 19427 346 1 . 1 1 65 65 LEU CA C 65 57.312 57.312 58.503 -1.191 19427 347 1 . 1 1 65 65 LEU CB C 65 41.255 41.255 40.901 0.354 19427 348 1 . 1 1 65 65 LEU H H 65 8.437 8.437 8.475 -0.038 19427 349 1 . 1 1 66 66 THR N N 66 115.794 115.794 115.002 0.792 19427 350 1 . 1 1 66 66 THR HA H 66 3.321 3.321 3.846 -0.525 19427 351 1 . 1 1 66 66 THR C C 66 175.591 175.591 176.635 -1.044 19427 352 1 . 1 1 66 66 THR CA C 66 69.056 69.056 67.161 1.895 19427 353 1 . 1 1 66 66 THR CB C 66 67.992 67.992 68.392 -0.400 19427 354 1 . 1 1 66 66 THR H H 66 8.079 8.079 8.206 -0.127 19427 355 1 . 1 1 67 67 GLU N N 67 118.543 118.543 121.091 -2.548 19427 356 1 . 1 1 67 67 GLU HA H 67 3.841 3.841 3.874 -0.033 19427 357 1 . 1 1 67 67 GLU C C 67 179.342 179.342 178.969 0.373 19427 358 1 . 1 1 67 67 GLU CA C 67 59.225 59.225 59.503 -0.278 19427 359 1 . 1 1 67 67 GLU CB C 67 28.921 28.921 29.059 -0.138 19427 360 1 . 1 1 67 67 GLU H H 67 7.594 7.594 7.834 -0.240 19427 361 1 . 1 1 68 68 GLN N N 68 120.882 120.882 119.140 1.742 19427 362 1 . 1 1 68 68 GLN HA H 68 3.700 3.700 3.640 0.060 19427 363 1 . 1 1 68 68 GLN C C 68 177.403 177.403 177.939 -0.536 19427 364 1 . 1 1 68 68 GLN CA C 68 58.394 58.394 58.111 0.283 19427 365 1 . 1 1 68 68 GLN CB C 68 28.374 28.374 27.976 0.398 19427 366 1 . 1 1 68 68 GLN H H 68 7.847 7.847 7.947 -0.100 19427 367 1 . 1 1 69 69 LEU N N 69 118.421 118.421 119.520 -1.100 19427 368 1 . 1 1 69 69 LEU HA H 69 3.473 3.473 3.646 -0.173 19427 369 1 . 1 1 69 69 LEU C C 69 180.177 180.177 179.239 0.938 19427 370 1 . 1 1 69 69 LEU CA C 69 58.413 58.413 57.534 0.879 19427 371 1 . 1 1 69 69 LEU CB C 69 40.971 40.971 41.055 -0.084 19427 372 1 . 1 1 69 69 LEU H H 69 7.986 7.986 7.456 0.530 19427 373 1 . 1 1 70 70 ILE N N 70 121.346 121.346 119.563 1.783 19427 374 1 . 1 1 70 70 ILE HA H 70 4.160 4.160 3.949 0.211 19427 375 1 . 1 1 70 70 ILE C C 70 180.910 180.910 178.631 2.279 19427 376 1 . 1 1 70 70 ILE CA C 70 65.050 65.050 64.700 0.350 19427 377 1 . 1 1 70 70 ILE CB C 70 38.345 38.345 37.877 0.468 19427 378 1 . 1 1 70 70 ILE H H 70 8.262 8.262 8.045 0.217 19427 379 1 . 1 1 71 71 SER N N 71 120.236 120.236 115.659 4.577 19427 380 1 . 1 1 71 71 SER HA H 71 4.273 4.273 4.218 0.055 19427 381 1 . 1 1 71 71 SER C C 71 177.045 177.045 176.037 1.008 19427 382 1 . 1 1 71 71 SER CA C 71 62.544 62.544 61.315 1.229 19427 383 1 . 1 1 71 71 SER CB C 71 62.839 62.839 62.941 -0.102 19427 384 1 . 1 1 71 71 SER H H 71 8.388 8.388 7.924 0.464 19427 385 1 . 1 1 72 72 TRP N N 72 119.364 119.364 119.273 0.092 19427 386 1 . 1 1 72 72 TRP HA H 72 4.926 4.926 4.727 0.199 19427 387 1 . 1 1 72 72 TRP C C 72 176.839 176.839 176.839 -0.000 19427 388 1 . 1 1 72 72 TRP CA C 72 55.764 55.764 56.505 -0.741 19427 389 1 . 1 1 72 72 TRP CB C 72 31.264 31.264 29.114 2.150 19427 390 1 . 1 1 72 72 TRP H H 72 8.066 8.066 7.840 0.226 19427 391 1 . 1 1 73 73 GLY N N 73 106.514 106.514 105.843 0.671 19427 392 1 . 1 1 73 73 GLY C C 73 174.697 174.697 174.909 -0.212 19427 393 1 . 1 1 73 73 GLY CA C 73 45.403 45.403 45.894 -0.491 19427 394 1 . 1 1 73 73 GLY H H 73 8.242 8.242 7.605 0.637 19427 395 1 . 1 1 74 74 VAL N N 74 114.793 114.793 117.014 -2.221 19427 396 1 . 1 1 74 74 VAL HA H 74 4.197 4.197 4.168 0.029 19427 397 1 . 1 1 74 74 VAL C C 74 174.015 174.015 175.213 -1.198 19427 398 1 . 1 1 74 74 VAL CA C 74 63.113 63.113 63.729 -0.616 19427 399 1 . 1 1 74 74 VAL CB C 74 32.849 32.849 32.828 0.021 19427 400 1 . 1 1 74 74 VAL H H 74 7.834 7.834 8.091 -0.257 19427 401 1 . 1 1 75 75 LEU N N 75 118.357 118.357 119.970 -1.613 19427 402 1 . 1 1 75 75 LEU HA H 75 4.911 4.911 4.960 -0.049 19427 403 1 . 1 1 75 75 LEU C C 75 175.022 175.022 175.373 -0.350 19427 404 1 . 1 1 75 75 LEU CA C 75 52.632 52.632 52.922 -0.290 19427 405 1 . 1 1 75 75 LEU CB C 75 47.158 47.158 45.207 1.951 19427 406 1 . 1 1 75 75 LEU H H 75 6.898 6.898 7.589 -0.691 19427 407 1 . 1 1 76 76 ASP N N 76 122.400 122.400 123.969 -1.569 19427 408 1 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.630 -0.027 19427 409 1 . 1 1 76 76 ASP C C 76 176.384 176.384 176.881 -0.497 19427 410 1 . 1 1 76 76 ASP CA C 76 54.383 54.383 54.167 0.216 19427 411 1 . 1 1 76 76 ASP CB C 76 43.227 43.227 43.283 -0.056 19427 412 1 . 1 1 76 76 ASP H H 76 8.412 8.412 8.553 -0.141 19427 413 1 . 1 1 77 77 ALA N N 77 123.828 123.828 127.430 -3.602 19427 414 1 . 1 1 77 77 ALA HA H 77 4.054 4.054 4.030 0.024 19427 415 1 . 1 1 77 77 ALA C C 77 179.068 179.068 178.979 0.089 19427 416 1 . 1 1 77 77 ALA CA C 77 54.731 54.731 54.729 0.002 19427 417 1 . 1 1 77 77 ALA CB C 77 18.749 18.749 18.874 -0.125 19427 418 1 . 1 1 77 77 ALA H H 77 8.601 8.601 8.625 -0.024 19427 419 1 . 1 1 78 78 ASP N N 78 118.882 118.882 118.884 -0.002 19427 420 1 . 1 1 78 78 ASP HA H 78 4.513 4.513 4.407 0.106 19427 421 1 . 1 1 78 78 ASP C C 78 174.868 174.868 177.859 -2.991 19427 422 1 . 1 1 78 78 ASP CA C 78 56.278 56.278 56.562 -0.284 19427 423 1 . 1 1 78 78 ASP CB C 78 40.908 40.908 40.601 0.307 19427 424 1 . 1 1 78 78 ASP H H 78 8.791 8.791 8.560 0.231 19427 425 1 . 1 1 79 79 ALA N N 79 121.027 121.027 122.522 -1.495 19427 426 1 . 1 1 79 79 ALA HA H 79 4.001 4.001 4.015 -0.014 19427 427 1 . 1 1 79 79 ALA C C 79 178.803 178.803 179.216 -0.413 19427 428 1 . 1 1 79 79 ALA CA C 79 54.391 54.391 54.806 -0.415 19427 429 1 . 1 1 79 79 ALA CB C 79 19.920 19.920 18.398 1.522 19427 430 1 . 1 1 79 79 ALA H H 79 8.287 8.287 7.714 0.573 19427 431 1 . 1 1 80 80 ARG N N 80 115.805 115.805 117.363 -1.558 19427 432 1 . 1 1 80 80 ARG HA H 80 3.924 3.924 3.997 -0.073 19427 433 1 . 1 1 80 80 ARG C C 80 178.254 178.254 178.073 0.181 19427 434 1 . 1 1 80 80 ARG CA C 80 59.229 59.229 58.662 0.567 19427 435 1 . 1 1 80 80 ARG CB C 80 30.257 30.257 29.552 0.705 19427 436 1 . 1 1 80 80 ARG H H 80 7.689 7.689 7.888 -0.199 19427 437 1 . 1 1 81 81 ARG N N 81 117.554 117.554 119.325 -1.771 19427 438 1 . 1 1 81 81 ARG HA H 81 4.206 4.206 4.182 0.024 19427 439 1 . 1 1 81 81 ARG C C 81 177.214 177.214 177.711 -0.497 19427 440 1 . 1 1 81 81 ARG CA C 81 57.693 57.693 58.092 -0.399 19427 441 1 . 1 1 81 81 ARG CB C 81 30.242 30.242 29.838 0.404 19427 442 1 . 1 1 81 81 ARG H H 81 7.782 7.782 7.973 -0.191 19427 443 1 . 1 1 82 82 ALA N N 82 121.590 121.590 121.236 0.354 19427 444 1 . 1 1 82 82 ALA HA H 82 4.279 4.279 4.216 0.063 19427 445 1 . 1 1 82 82 ALA C C 82 177.798 177.798 178.616 -0.818 19427 446 1 . 1 1 82 82 ALA CA C 82 53.255 53.255 54.298 -1.043 19427 447 1 . 1 1 82 82 ALA CB C 82 19.563 19.563 19.046 0.517 19427 448 1 . 1 1 82 82 ALA H H 82 7.875 7.875 7.713 0.162 19427 449 1 . 1 1 83 83 VAL N N 83 114.483 114.483 116.526 -2.043 19427 450 1 . 1 1 83 83 VAL HA H 83 4.141 4.141 4.063 0.078 19427 451 1 . 1 1 83 83 VAL C C 83 175.572 175.572 175.778 -0.206 19427 452 1 . 1 1 83 83 VAL CA C 83 62.041 62.041 62.989 -0.948 19427 453 1 . 1 1 83 83 VAL CB C 83 32.781 32.781 32.042 0.739 19427 454 1 . 1 1 83 83 VAL H H 83 7.503 7.503 7.584 -0.081 19427 455 1 . 1 1 84 84 ALA N N 84 125.870 125.870 122.997 2.873 19427 456 1 . 1 1 84 84 ALA HA H 84 4.321 4.321 4.335 -0.014 19427 457 1 . 1 1 84 84 ALA C C 84 177.696 177.696 176.822 0.874 19427 458 1 . 1 1 84 84 ALA CA C 84 52.771 52.771 52.217 0.554 19427 459 1 . 1 1 84 84 ALA CB C 84 19.512 19.512 18.965 0.547 19427 460 1 . 1 1 84 84 ALA H H 84 7.876 7.876 7.705 0.171 19427 461 1 . 1 1 85 85 SER N N 85 114.965 114.965 115.470 -0.505 19427 462 1 . 1 1 85 85 SER HA H 85 4.396 4.396 4.465 -0.069 19427 463 1 . 1 1 85 85 SER CA C 85 58.393 58.393 58.640 -0.247 19427 464 1 . 1 1 85 85 SER CB C 85 63.915 63.915 63.653 0.262 19427 465 1 . 1 1 85 85 SER H H 85 8.521 8.521 8.169 0.352 19427 466 1 . 1 1 86 86 HIS HA H 86 4.666 4.666 4.601 0.065 19427 467 1 . 1 1 86 86 HIS C C 86 174.868 174.868 174.330 0.538 19427 468 1 . 1 1 86 86 HIS CA C 86 56.321 56.321 56.221 0.100 19427 469 1 . 1 1 86 86 HIS CB C 86 30.312 30.312 30.402 -0.090 19427 470 1 . 1 1 87 87 ASP N N 87 121.205 121.205 121.922 -0.717 19427 471 1 . 1 1 87 87 ASP HA H 87 4.603 4.603 4.625 -0.022 19427 472 1 . 1 1 87 87 ASP C C 87 175.917 175.917 175.960 -0.043 19427 473 1 . 1 1 87 87 ASP CA C 87 54.577 54.577 54.473 0.104 19427 474 1 . 1 1 87 87 ASP CB C 87 41.256 41.256 41.732 -0.476 19427 475 1 . 1 1 87 87 ASP H H 87 8.326 8.326 8.340 -0.014 19427 476 1 . 1 1 88 88 GLU N N 88 121.167 121.167 120.527 0.640 19427 477 1 . 1 1 88 88 GLU HA H 88 4.317 4.317 4.354 -0.037 19427 478 1 . 1 1 88 88 GLU C C 88 175.455 175.455 175.650 -0.195 19427 479 1 . 1 1 88 88 GLU CA C 88 56.372 56.372 56.727 -0.355 19427 480 1 . 1 1 88 88 GLU CB C 88 30.373 30.373 30.037 0.336 19427 481 1 . 1 1 88 88 GLU H H 88 8.352 8.352 8.591 -0.239 19427 stop_ save_