data_18429 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18429 _Entry.PDB_ID 2LSE 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 18429 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.436 -0.119 18429 2 1 1 . 1 1 2 2 GLN C C 2 177.028 177.028 175.798 1.230 18429 3 1 1 . 1 1 2 2 GLN CA C 2 56.800 56.800 55.913 0.887 18429 4 1 1 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.669 -0.785 18429 5 1 1 . 1 1 3 3 GLU N N 3 123.654 123.654 118.790 4.864 18429 6 1 1 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.406 -0.329 18429 7 1 1 . 1 1 3 3 GLU C C 3 177.945 177.945 175.782 2.163 18429 8 1 1 . 1 1 3 3 GLU CA C 3 59.110 59.110 55.933 3.177 18429 9 1 1 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.740 0.603 18429 10 1 1 . 1 1 3 3 GLU H H 3 8.995 8.995 7.959 1.036 18429 11 1 1 . 1 1 4 4 GLU N N 4 119.237 119.237 118.723 0.514 18429 12 1 1 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.893 0.176 18429 13 1 1 . 1 1 4 4 GLU C C 4 178.815 178.815 176.330 2.485 18429 14 1 1 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.612 1.540 18429 15 1 1 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.476 -0.258 18429 16 1 1 . 1 1 4 4 GLU H H 4 8.837 8.837 8.510 0.327 18429 17 1 1 . 1 1 5 5 ARG N N 5 120.052 120.052 119.989 0.063 18429 18 1 1 . 1 1 5 5 ARG HA H 5 3.951 3.951 3.911 0.040 18429 19 1 1 . 1 1 5 5 ARG C C 5 177.324 177.324 177.761 -0.437 18429 20 1 1 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.331 -0.090 18429 21 1 1 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.256 -0.275 18429 22 1 1 . 1 1 5 5 ARG H H 5 7.884 7.884 7.782 0.102 18429 23 1 1 . 1 1 6 6 LYS N N 6 119.327 119.327 118.167 1.160 18429 24 1 1 . 1 1 6 6 LYS HA H 6 3.980 3.980 3.891 0.089 18429 25 1 1 . 1 1 6 6 LYS C C 6 178.939 178.939 178.501 0.438 18429 26 1 1 . 1 1 6 6 LYS CA C 6 59.332 59.332 60.227 -0.895 18429 27 1 1 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.878 0.276 18429 28 1 1 . 1 1 6 6 LYS H H 6 7.998 7.998 8.584 -0.586 18429 29 1 1 . 1 1 7 7 LYS N N 7 117.908 117.908 119.490 -1.582 18429 30 1 1 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.117 -0.021 18429 31 1 1 . 1 1 7 7 LYS C C 7 179.332 179.332 178.965 0.367 18429 32 1 1 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.584 0.183 18429 33 1 1 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.709 0.588 18429 34 1 1 . 1 1 7 7 LYS H H 7 7.917 7.917 7.566 0.351 18429 35 1 1 . 1 1 8 8 LEU N N 8 120.724 120.724 120.572 0.152 18429 36 1 1 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.101 -0.052 18429 37 1 1 . 1 1 8 8 LEU C C 8 178.490 178.490 178.693 -0.203 18429 38 1 1 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.050 -0.361 18429 39 1 1 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.836 -0.231 18429 40 1 1 . 1 1 8 8 LEU H H 8 7.686 7.686 7.919 -0.233 18429 41 1 1 . 1 1 9 9 LEU N N 9 118.886 118.886 116.269 2.617 18429 42 1 1 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.160 -0.222 18429 43 1 1 . 1 1 9 9 LEU C C 9 178.981 178.981 178.924 0.057 18429 44 1 1 . 1 1 9 9 LEU CA C 9 57.958 57.958 58.029 -0.070 18429 45 1 1 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.864 -0.022 18429 46 1 1 . 1 1 9 9 LEU H H 9 8.158 8.158 7.850 0.308 18429 47 1 1 . 1 1 10 10 GLU N N 10 119.000 119.000 121.646 -2.646 18429 48 1 1 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.039 0.013 18429 49 1 1 . 1 1 10 10 GLU C C 10 179.601 179.601 178.740 0.861 18429 50 1 1 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.279 -0.001 18429 51 1 1 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.258 0.028 18429 52 1 1 . 1 1 10 10 GLU H H 10 8.069 8.069 8.327 -0.258 18429 53 1 1 . 1 1 11 11 LYS N N 11 119.446 119.446 120.119 -0.673 18429 54 1 1 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.114 -0.031 18429 55 1 1 . 1 1 11 11 LYS C C 11 178.971 178.971 178.935 0.036 18429 56 1 1 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.568 0.204 18429 57 1 1 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.090 -0.094 18429 58 1 1 . 1 1 11 11 LYS H H 11 7.676 7.676 7.727 -0.051 18429 59 1 1 . 1 1 12 12 LEU N N 12 120.017 120.017 120.484 -0.467 18429 60 1 1 . 1 1 12 12 LEU HA H 12 3.884 3.884 4.012 -0.128 18429 61 1 1 . 1 1 12 12 LEU C C 12 177.977 177.977 178.544 -0.567 18429 62 1 1 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.395 -0.670 18429 63 1 1 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.383 0.195 18429 64 1 1 . 1 1 12 12 LEU H H 12 8.378 8.378 7.702 0.676 18429 65 1 1 . 1 1 13 13 GLU N N 13 117.914 117.914 118.048 -0.134 18429 66 1 1 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.832 -0.136 18429 67 1 1 . 1 1 13 13 GLU C C 13 177.934 177.934 179.085 -1.151 18429 68 1 1 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.441 0.675 18429 69 1 1 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.162 0.236 18429 70 1 1 . 1 1 13 13 GLU H H 13 8.458 8.458 8.370 0.088 18429 71 1 1 . 1 1 14 14 LYS N N 14 117.629 117.629 119.595 -1.966 18429 72 1 1 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.090 0.045 18429 73 1 1 . 1 1 14 14 LYS C C 14 179.227 179.227 178.747 0.480 18429 74 1 1 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.586 0.280 18429 75 1 1 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.020 0.106 18429 76 1 1 . 1 1 14 14 LYS H H 14 7.365 7.365 7.536 -0.171 18429 77 1 1 . 1 1 15 15 ILE N N 15 119.583 119.583 120.373 -0.790 18429 78 1 1 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.801 -0.024 18429 79 1 1 . 1 1 15 15 ILE C C 15 178.009 178.009 178.402 -0.393 18429 80 1 1 . 1 1 15 15 ILE CA C 15 64.889 64.889 63.457 1.432 18429 81 1 1 . 1 1 15 15 ILE CB C 15 38.200 38.200 36.923 1.277 18429 82 1 1 . 1 1 15 15 ILE H H 15 7.726 7.726 7.763 -0.037 18429 83 1 1 . 1 1 16 16 LEU N N 16 118.601 118.601 119.874 -1.273 18429 84 1 1 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.855 -0.002 18429 85 1 1 . 1 1 16 16 LEU C C 16 179.729 179.729 179.100 0.629 18429 86 1 1 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.229 -0.387 18429 87 1 1 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.578 0.059 18429 88 1 1 . 1 1 16 16 LEU H H 16 8.372 8.372 8.065 0.307 18429 89 1 1 . 1 1 17 17 ASP N N 17 120.008 120.008 119.174 0.834 18429 90 1 1 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.346 -0.010 18429 91 1 1 . 1 1 17 17 ASP C C 17 178.148 178.148 178.479 -0.331 18429 92 1 1 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.309 -0.020 18429 93 1 1 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.925 -0.656 18429 94 1 1 . 1 1 17 17 ASP H H 17 8.192 8.192 8.171 0.021 18429 95 1 1 . 1 1 18 18 GLU N N 18 119.362 119.362 118.205 1.157 18429 96 1 1 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.254 -0.103 18429 97 1 1 . 1 1 18 18 GLU C C 18 179.653 179.653 179.147 0.506 18429 98 1 1 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.538 0.717 18429 99 1 1 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.479 -0.279 18429 100 1 1 . 1 1 18 18 GLU H H 18 7.860 7.860 7.705 0.155 18429 101 1 1 . 1 1 19 19 VAL N N 19 118.483 118.483 119.086 -0.603 18429 102 1 1 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.946 -0.120 18429 103 1 1 . 1 1 19 19 VAL C C 19 177.496 177.496 177.530 -0.034 18429 104 1 1 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.946 -1.049 18429 105 1 1 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.892 -0.083 18429 106 1 1 . 1 1 19 19 VAL H H 19 8.416 8.416 8.168 0.248 18429 107 1 1 . 1 1 20 20 THR N N 20 112.904 112.904 111.311 1.593 18429 108 1 1 . 1 1 20 20 THR HA H 20 3.856 3.856 4.092 -0.236 18429 109 1 1 . 1 1 20 20 THR C C 20 175.894 175.894 176.079 -0.185 18429 110 1 1 . 1 1 20 20 THR CA C 20 65.696 65.696 65.249 0.447 18429 111 1 1 . 1 1 20 20 THR CB C 20 68.587 68.587 68.993 -0.406 18429 112 1 1 . 1 1 20 20 THR H H 20 7.985 7.985 7.772 0.213 18429 113 1 1 . 1 1 21 21 ASP N N 21 120.510 120.510 121.338 -0.828 18429 114 1 1 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.545 -0.102 18429 115 1 1 . 1 1 21 21 ASP C C 21 177.358 177.358 178.049 -0.691 18429 116 1 1 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.329 0.039 18429 117 1 1 . 1 1 21 21 ASP CB C 21 40.873 40.873 41.099 -0.226 18429 118 1 1 . 1 1 21 21 ASP H H 21 7.935 7.935 7.765 0.170 18429 119 1 1 . 1 1 22 22 GLY N N 22 106.730 106.730 107.318 -0.588 18429 120 1 1 . 1 1 22 22 GLY C C 22 174.004 174.004 173.636 0.368 18429 121 1 1 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.313 0.513 18429 122 1 1 . 1 1 22 22 GLY H H 22 7.939 7.939 7.756 0.183 18429 123 1 1 . 1 1 23 23 ALA N N 23 124.286 124.286 123.768 0.518 18429 124 1 1 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.454 0.054 18429 125 1 1 . 1 1 23 23 ALA C C 23 174.921 174.921 176.152 -1.231 18429 126 1 1 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.252 0.099 18429 127 1 1 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.557 -1.053 18429 128 1 1 . 1 1 23 23 ALA H H 23 7.531 7.531 7.190 0.341 18429 129 1 1 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.462 0.101 18429 130 1 1 . 1 1 24 24 PRO C C 24 177.571 177.571 176.415 1.156 18429 131 1 1 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.837 -0.347 18429 132 1 1 . 1 1 24 24 PRO CB C 24 32.098 32.098 29.992 2.106 18429 133 1 1 . 1 1 25 25 ASP N N 25 122.828 122.828 122.940 -0.112 18429 134 1 1 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.103 0.152 18429 135 1 1 . 1 1 25 25 ASP C C 25 178.298 178.298 177.359 0.939 18429 136 1 1 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.247 0.816 18429 137 1 1 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.163 0.353 18429 138 1 1 . 1 1 25 25 ASP H H 25 8.779 8.779 8.516 0.263 18429 139 1 1 . 1 1 26 26 GLU N N 26 117.055 117.055 121.085 -4.030 18429 140 1 1 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.113 0.022 18429 141 1 1 . 1 1 26 26 GLU C C 26 177.454 177.454 178.483 -1.029 18429 142 1 1 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.172 1.052 18429 143 1 1 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.499 -0.945 18429 144 1 1 . 1 1 26 26 GLU H H 26 9.324 9.324 8.265 1.059 18429 145 1 1 . 1 1 27 27 ALA N N 27 120.789 120.789 122.340 -1.551 18429 146 1 1 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.160 0.251 18429 147 1 1 . 1 1 27 27 ALA C C 27 178.065 178.065 178.737 -0.672 18429 148 1 1 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.016 -1.137 18429 149 1 1 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.436 1.460 18429 150 1 1 . 1 1 27 27 ALA H H 27 7.474 7.474 7.845 -0.371 18429 151 1 1 . 1 1 28 28 ARG N N 28 118.872 118.872 119.409 -0.537 18429 152 1 1 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.995 -0.320 18429 153 1 1 . 1 1 28 28 ARG C C 28 177.550 177.550 177.929 -0.379 18429 154 1 1 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.871 0.731 18429 155 1 1 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.167 -0.623 18429 156 1 1 . 1 1 28 28 ARG H H 28 7.803 7.803 7.719 0.084 18429 157 1 1 . 1 1 29 29 GLU N N 29 117.512 117.512 117.161 0.351 18429 158 1 1 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.249 -0.207 18429 159 1 1 . 1 1 29 29 GLU C C 29 179.122 179.122 178.954 0.168 18429 160 1 1 . 1 1 29 29 GLU CA C 29 59.607 59.607 58.791 0.816 18429 161 1 1 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.165 0.076 18429 162 1 1 . 1 1 29 29 GLU H H 29 8.490 8.490 8.133 0.357 18429 163 1 1 . 1 1 30 30 ARG N N 30 119.240 119.240 120.147 -0.907 18429 164 1 1 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.107 0.027 18429 165 1 1 . 1 1 30 30 ARG C C 30 179.248 179.248 178.507 0.741 18429 166 1 1 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.542 0.287 18429 167 1 1 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.581 0.284 18429 168 1 1 . 1 1 30 30 ARG H H 30 7.789 7.789 7.960 -0.171 18429 169 1 1 . 1 1 31 31 ILE N N 31 120.920 120.920 119.894 1.026 18429 170 1 1 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.828 -0.090 18429 171 1 1 . 1 1 31 31 ILE C C 31 177.089 177.089 178.010 -0.921 18429 172 1 1 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.286 -1.468 18429 173 1 1 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.987 -0.902 18429 174 1 1 . 1 1 31 31 ILE H H 31 8.256 8.256 7.596 0.660 18429 175 1 1 . 1 1 32 32 GLU N N 32 120.281 120.281 119.881 0.400 18429 176 1 1 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.941 -0.005 18429 177 1 1 . 1 1 32 32 GLU C C 32 179.429 179.429 179.198 0.231 18429 178 1 1 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.754 -0.195 18429 179 1 1 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.264 0.139 18429 180 1 1 . 1 1 32 32 GLU H H 32 8.697 8.697 8.410 0.287 18429 181 1 1 . 1 1 33 33 LYS N N 33 119.737 119.737 119.563 0.174 18429 182 1 1 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.055 0.003 18429 183 1 1 . 1 1 33 33 LYS C C 33 178.159 178.159 178.999 -0.840 18429 184 1 1 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.328 0.083 18429 185 1 1 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.395 -0.345 18429 186 1 1 . 1 1 33 33 LYS H H 33 7.764 7.764 7.461 0.303 18429 187 1 1 . 1 1 34 34 LEU N N 34 120.133 120.133 120.504 -0.371 18429 188 1 1 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.402 -0.170 18429 189 1 1 . 1 1 34 34 LEU C C 34 178.629 178.629 178.768 -0.139 18429 190 1 1 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.464 0.043 18429 191 1 1 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.916 -0.119 18429 192 1 1 . 1 1 34 34 LEU H H 34 7.790 7.790 7.645 0.145 18429 193 1 1 . 1 1 35 35 ALA N N 35 119.492 119.492 121.016 -1.524 18429 194 1 1 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.751 0.017 18429 195 1 1 . 1 1 35 35 ALA C C 35 179.297 179.297 179.339 -0.042 18429 196 1 1 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.205 -0.182 18429 197 1 1 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.005 0.186 18429 198 1 1 . 1 1 35 35 ALA H H 35 8.634 8.634 8.475 0.159 18429 199 1 1 . 1 1 36 36 LYS N N 36 118.470 118.470 118.525 -0.055 18429 200 1 1 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.924 0.007 18429 201 1 1 . 1 1 36 36 LYS C C 36 178.223 178.223 178.232 -0.009 18429 202 1 1 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.601 -0.406 18429 203 1 1 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.333 -0.278 18429 204 1 1 . 1 1 36 36 LYS H H 36 7.704 7.704 7.676 0.028 18429 205 1 1 . 1 1 37 37 ASP N N 37 120.075 120.075 119.860 0.215 18429 206 1 1 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.578 -0.175 18429 207 1 1 . 1 1 37 37 ASP C C 37 179.334 179.334 178.863 0.471 18429 208 1 1 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.244 -0.063 18429 209 1 1 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.534 -0.557 18429 210 1 1 . 1 1 37 37 ASP H H 37 8.203 8.203 8.011 0.192 18429 211 1 1 . 1 1 38 38 VAL N N 38 118.202 118.202 119.812 -1.610 18429 212 1 1 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.559 0.064 18429 213 1 1 . 1 1 38 38 VAL C C 38 177.017 177.017 177.690 -0.673 18429 214 1 1 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.118 -0.450 18429 215 1 1 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.916 0.321 18429 216 1 1 . 1 1 38 38 VAL H H 38 8.215 8.215 8.178 0.037 18429 217 1 1 . 1 1 39 39 LYS N N 39 119.236 119.236 119.308 -0.072 18429 218 1 1 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.899 -0.089 18429 219 1 1 . 1 1 39 39 LYS C C 39 178.575 178.575 178.538 0.037 18429 220 1 1 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.667 0.046 18429 221 1 1 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.910 0.180 18429 222 1 1 . 1 1 39 39 LYS H H 39 7.780 7.780 7.390 0.390 18429 223 1 1 . 1 1 40 40 ASP N N 40 118.227 118.227 118.775 -0.548 18429 224 1 1 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.379 0.073 18429 225 1 1 . 1 1 40 40 ASP C C 40 178.137 178.137 178.233 -0.096 18429 226 1 1 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.287 -0.864 18429 227 1 1 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.868 -0.458 18429 228 1 1 . 1 1 40 40 ASP H H 40 8.273 8.273 7.541 0.732 18429 229 1 1 . 1 1 41 41 GLU N N 41 119.896 119.896 119.916 -0.020 18429 230 1 1 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.163 0.068 18429 231 1 1 . 1 1 41 41 GLU C C 41 177.849 177.849 179.229 -1.380 18429 232 1 1 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.155 -0.770 18429 233 1 1 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.059 0.672 18429 234 1 1 . 1 1 41 41 GLU H H 41 7.875 7.875 7.971 -0.096 18429 235 1 1 . 1 1 42 42 LEU N N 42 119.906 119.906 118.457 1.449 18429 236 1 1 . 1 1 42 42 LEU HA H 42 4.124 4.124 3.998 0.126 18429 237 1 1 . 1 1 42 42 LEU C C 42 178.276 178.276 178.091 0.185 18429 238 1 1 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.788 -1.075 18429 239 1 1 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.322 0.826 18429 240 1 1 . 1 1 42 42 LEU H H 42 7.952 7.952 7.978 -0.026 18429 241 1 1 . 1 1 43 43 GLU N N 43 117.735 117.735 115.095 2.640 18429 242 1 1 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.382 -0.247 18429 243 1 1 . 1 1 43 43 GLU C C 43 177.582 177.582 177.725 -0.143 18429 244 1 1 . 1 1 43 43 GLU CA C 43 58.804 58.804 56.664 2.140 18429 245 1 1 . 1 1 43 43 GLU CB C 43 29.571 29.571 31.219 -1.648 18429 246 1 1 . 1 1 43 43 GLU H H 43 8.020 8.020 7.747 0.273 18429 247 1 1 . 1 1 44 44 GLU N N 44 116.308 116.308 121.297 -4.989 18429 248 1 1 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.200 0.216 18429 249 1 1 . 1 1 44 44 GLU C C 44 177.133 177.133 177.194 -0.061 18429 250 1 1 . 1 1 44 44 GLU CA C 44 56.448 56.448 58.122 -1.674 18429 251 1 1 . 1 1 44 44 GLU CB C 44 31.114 31.114 29.870 1.244 18429 252 1 1 . 1 1 44 44 GLU H H 44 8.128 8.128 8.263 -0.135 18429 253 1 1 . 1 1 45 45 GLY N N 45 109.450 109.450 105.729 3.721 18429 254 1 1 . 1 1 45 45 GLY C C 45 173.685 173.685 173.401 0.284 18429 255 1 1 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.581 0.793 18429 256 1 1 . 1 1 45 45 GLY H H 45 8.156 8.156 7.751 0.405 18429 257 1 1 . 1 1 46 46 ASP N N 46 120.995 120.995 122.580 -1.585 18429 258 1 1 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.783 -0.095 18429 259 1 1 . 1 1 46 46 ASP C C 46 176.375 176.375 175.764 0.611 18429 260 1 1 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.164 -0.539 18429 261 1 1 . 1 1 46 46 ASP CB C 46 41.207 41.207 40.352 0.855 18429 262 1 1 . 1 1 46 46 ASP H H 46 8.467 8.467 8.072 0.395 18429 263 1 1 . 1 1 47 47 ALA N N 47 124.626 124.626 128.181 -3.555 18429 264 1 1 . 1 1 47 47 ALA HA H 47 4.123 4.123 3.953 0.170 18429 265 1 1 . 1 1 47 47 ALA C C 47 178.084 178.084 178.490 -0.406 18429 266 1 1 . 1 1 47 47 ALA CA C 47 53.941 53.941 55.636 -1.695 18429 267 1 1 . 1 1 47 47 ALA CB C 47 18.984 18.984 18.905 0.078 18429 268 1 1 . 1 1 47 47 ALA H H 47 8.483 8.483 8.029 0.454 18429 269 1 1 . 1 1 48 48 LYS N N 48 118.214 118.214 118.612 -0.398 18429 270 1 1 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.988 -0.187 18429 271 1 1 . 1 1 48 48 LYS C C 48 177.582 177.582 178.240 -0.658 18429 272 1 1 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.126 0.987 18429 273 1 1 . 1 1 48 48 LYS CB C 48 32.160 32.160 31.842 0.318 18429 274 1 1 . 1 1 48 48 LYS H H 48 8.349 8.349 8.359 -0.010 18429 275 1 1 . 1 1 49 49 ASN N N 49 116.387 116.387 116.898 -0.511 18429 276 1 1 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.784 -0.276 18429 277 1 1 . 1 1 49 49 ASN C C 49 177.753 177.753 177.821 -0.068 18429 278 1 1 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.958 0.023 18429 279 1 1 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.294 0.071 18429 280 1 1 . 1 1 49 49 ASN H H 49 8.184 8.184 8.418 -0.234 18429 281 1 1 . 1 1 50 50 MET N N 50 118.627 118.627 118.865 -0.238 18429 282 1 1 . 1 1 50 50 MET HA H 50 4.335 4.335 4.281 0.054 18429 283 1 1 . 1 1 50 50 MET C C 50 178.683 178.683 178.811 -0.128 18429 284 1 1 . 1 1 50 50 MET CA C 50 57.203 57.203 57.701 -0.498 18429 285 1 1 . 1 1 50 50 MET CB C 50 32.289 32.289 31.873 0.416 18429 286 1 1 . 1 1 50 50 MET H H 50 8.189 8.189 7.767 0.422 18429 287 1 1 . 1 1 51 51 ILE N N 51 120.778 120.778 120.652 0.126 18429 288 1 1 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.653 0.040 18429 289 1 1 . 1 1 51 51 ILE C C 51 177.667 177.667 177.973 -0.306 18429 290 1 1 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.547 -0.183 18429 291 1 1 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.301 -0.017 18429 292 1 1 . 1 1 51 51 ILE H H 51 8.475 8.475 8.135 0.340 18429 293 1 1 . 1 1 52 52 GLU N N 52 120.715 120.715 120.164 0.551 18429 294 1 1 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.918 -0.079 18429 295 1 1 . 1 1 52 52 GLU C C 52 178.201 178.201 179.158 -0.957 18429 296 1 1 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.684 0.443 18429 297 1 1 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.314 -0.068 18429 298 1 1 . 1 1 52 52 GLU H H 52 8.372 8.372 7.748 0.624 18429 299 1 1 . 1 1 53 53 LYS N N 53 118.426 118.426 119.118 -0.692 18429 300 1 1 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.096 0.034 18429 301 1 1 . 1 1 53 53 LYS C C 53 179.163 179.163 179.135 0.028 18429 302 1 1 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.919 0.169 18429 303 1 1 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.190 -0.040 18429 304 1 1 . 1 1 53 53 LYS H H 53 7.766 7.766 8.085 -0.319 18429 305 1 1 . 1 1 54 54 PHE N N 54 120.522 120.522 120.228 0.294 18429 306 1 1 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.259 -0.157 18429 307 1 1 . 1 1 54 54 PHE C C 54 176.920 176.920 177.116 -0.196 18429 308 1 1 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.119 0.418 18429 309 1 1 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.452 -0.040 18429 310 1 1 . 1 1 54 54 PHE H H 54 7.990 7.990 8.399 -0.409 18429 311 1 1 . 1 1 55 55 ARG N N 55 120.870 120.870 120.522 0.348 18429 312 1 1 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.969 -0.143 18429 313 1 1 . 1 1 55 55 ARG C C 55 178.383 178.383 178.187 0.196 18429 314 1 1 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.553 0.407 18429 315 1 1 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.674 2.441 18429 316 1 1 . 1 1 55 55 ARG H H 55 8.774 8.774 8.020 0.754 18429 317 1 1 . 1 1 56 56 ASP N N 56 119.776 119.776 118.313 1.463 18429 318 1 1 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.656 -0.329 18429 319 1 1 . 1 1 56 56 ASP C C 56 179.398 179.398 178.399 0.999 18429 320 1 1 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.695 -0.139 18429 321 1 1 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.803 -0.986 18429 322 1 1 . 1 1 56 56 ASP H H 56 8.491 8.491 8.225 0.266 18429 323 1 1 . 1 1 57 57 GLU N N 57 120.418 120.418 121.402 -0.984 18429 324 1 1 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.093 -0.040 18429 325 1 1 . 1 1 57 57 GLU C C 57 179.708 179.708 178.504 1.204 18429 326 1 1 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.707 0.187 18429 327 1 1 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.171 0.205 18429 328 1 1 . 1 1 57 57 GLU H H 57 7.894 7.894 8.028 -0.134 18429 329 1 1 . 1 1 58 58 MET N N 58 119.674 119.674 118.220 1.454 18429 330 1 1 . 1 1 58 58 MET HA H 58 4.090 4.090 3.929 0.161 18429 331 1 1 . 1 1 58 58 MET C C 58 178.137 178.137 178.315 -0.178 18429 332 1 1 . 1 1 58 58 MET CA C 58 58.568 58.568 59.714 -1.146 18429 333 1 1 . 1 1 58 58 MET CB C 58 31.846 31.846 32.430 -0.584 18429 334 1 1 . 1 1 58 58 MET H H 58 8.352 8.352 8.022 0.330 18429 335 1 1 . 1 1 59 59 GLU N N 59 119.770 119.770 118.424 1.346 18429 336 1 1 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.048 -0.098 18429 337 1 1 . 1 1 59 59 GLU C C 59 178.939 178.939 178.517 0.422 18429 338 1 1 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.334 0.410 18429 339 1 1 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.394 -0.217 18429 340 1 1 . 1 1 59 59 GLU H H 59 8.717 8.717 7.857 0.860 18429 341 1 1 . 1 1 60 60 GLN N N 60 117.895 117.895 120.086 -2.191 18429 342 1 1 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.091 -0.120 18429 343 1 1 . 1 1 60 60 GLN C C 60 178.052 178.052 178.518 -0.466 18429 344 1 1 . 1 1 60 60 GLN CA C 60 58.254 58.254 59.089 -0.835 18429 345 1 1 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.675 -0.557 18429 346 1 1 . 1 1 60 60 GLN H H 60 7.613 7.613 7.617 -0.004 18429 347 1 1 . 1 1 61 61 MET N N 61 118.464 118.464 117.016 1.448 18429 348 1 1 . 1 1 61 61 MET HA H 61 4.080 4.080 4.212 -0.132 18429 349 1 1 . 1 1 61 61 MET C C 61 178.545 178.545 178.363 0.182 18429 350 1 1 . 1 1 61 61 MET CA C 61 58.972 58.972 58.858 0.114 18429 351 1 1 . 1 1 61 61 MET CB C 61 32.309 32.309 32.856 -0.547 18429 352 1 1 . 1 1 61 61 MET H H 61 7.943 7.943 7.771 0.172 18429 353 1 1 . 1 1 62 62 TYR N N 62 119.118 119.118 121.030 -1.912 18429 354 1 1 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.316 -0.156 18429 355 1 1 . 1 1 62 62 TYR C C 62 176.118 176.118 176.705 -0.587 18429 356 1 1 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.518 -0.267 18429 357 1 1 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.449 -0.060 18429 358 1 1 . 1 1 62 62 TYR H H 62 8.313 8.313 8.030 0.283 18429 359 1 1 . 1 1 63 63 LYS N N 63 117.899 117.899 117.721 0.178 18429 360 1 1 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.680 0.116 18429 361 1 1 . 1 1 63 63 LYS C C 63 178.470 178.470 178.031 0.439 18429 362 1 1 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.822 -0.020 18429 363 1 1 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.332 -0.314 18429 364 1 1 . 1 1 63 63 LYS H H 63 7.806 7.806 7.899 -0.093 18429 365 1 1 . 1 1 64 64 ASP N N 64 116.931 116.931 118.398 -1.467 18429 366 1 1 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.826 -0.341 18429 367 1 1 . 1 1 64 64 ASP C C 64 176.460 176.460 176.033 0.427 18429 368 1 1 . 1 1 64 64 ASP CA C 64 55.640 55.640 56.073 -0.433 18429 369 1 1 . 1 1 64 64 ASP CB C 64 41.196 41.196 42.071 -0.875 18429 370 1 1 . 1 1 64 64 ASP H H 64 7.771 7.771 7.626 0.145 18429 371 1 1 . 1 1 65 65 ALA N N 65 121.417 121.417 120.777 0.640 18429 372 1 1 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.683 -0.091 18429 373 1 1 . 1 1 65 65 ALA C C 65 180.460 180.460 174.456 6.004 18429 374 1 1 . 1 1 65 65 ALA CA C 65 50.223 50.223 50.542 -0.319 18429 375 1 1 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.870 -1.595 18429 376 1 1 . 1 1 65 65 ALA H H 65 7.536 7.536 7.669 -0.133 18429 377 1 1 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.893 -0.921 18429 378 1 1 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.196 1.863 18429 379 1 1 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.612 -0.235 18429 380 1 1 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.539 -0.089 18429 381 1 1 . 1 1 67 67 ASN CA C 67 56.342 56.342 53.832 2.510 18429 382 1 1 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.513 2.070 18429 383 1 1 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.334 -0.047 18429 384 1 1 . 1 1 68 68 ALA C C 68 180.039 180.039 178.523 1.516 18429 385 1 1 . 1 1 68 68 ALA CA C 68 54.958 54.958 52.386 2.572 18429 386 1 1 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.776 0.061 18429 387 1 1 . 1 1 69 69 VAL N N 69 119.699 119.699 118.843 0.856 18429 388 1 1 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.758 0.051 18429 389 1 1 . 1 1 69 69 VAL C C 69 178.578 178.578 177.190 1.388 18429 390 1 1 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.284 0.626 18429 391 1 1 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.181 0.140 18429 392 1 1 . 1 1 69 69 VAL H H 69 7.968 7.968 7.929 0.039 18429 393 1 1 . 1 1 70 70 MET N N 70 119.158 119.158 120.376 -1.218 18429 394 1 1 . 1 1 70 70 MET HA H 70 4.411 4.411 4.012 0.399 18429 395 1 1 . 1 1 70 70 MET C C 70 177.858 177.858 177.687 0.171 18429 396 1 1 . 1 1 70 70 MET CA C 70 56.540 56.540 58.826 -2.286 18429 397 1 1 . 1 1 70 70 MET CB C 70 31.927 31.927 32.039 -0.113 18429 398 1 1 . 1 1 70 70 MET H H 70 8.195 8.195 8.444 -0.249 18429 399 1 1 . 1 1 71 71 GLU N N 71 119.109 119.109 117.450 1.659 18429 400 1 1 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.318 0.204 18429 401 1 1 . 1 1 71 71 GLU C C 71 178.949 178.949 178.912 0.037 18429 402 1 1 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.632 0.169 18429 403 1 1 . 1 1 71 71 GLU CB C 71 29.687 29.687 28.994 0.694 18429 404 1 1 . 1 1 71 71 GLU H H 71 8.122 8.122 8.355 -0.233 18429 405 1 1 . 1 1 72 72 GLN N N 72 118.471 118.471 118.597 -0.126 18429 406 1 1 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.020 0.102 18429 407 1 1 . 1 1 72 72 GLN C C 72 178.597 178.597 178.901 -0.304 18429 408 1 1 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.613 -0.098 18429 409 1 1 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.675 -0.564 18429 410 1 1 . 1 1 72 72 GLN H H 72 7.662 7.662 7.584 0.078 18429 411 1 1 . 1 1 73 73 LEU N N 73 120.880 120.880 120.282 0.598 18429 412 1 1 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.036 0.008 18429 413 1 1 . 1 1 73 73 LEU C C 73 178.992 178.992 178.801 0.191 18429 414 1 1 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.642 0.405 18429 415 1 1 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.462 -0.085 18429 416 1 1 . 1 1 73 73 LEU H H 73 8.170 8.170 8.330 -0.160 18429 417 1 1 . 1 1 74 74 LEU N N 74 119.628 119.628 120.006 -0.378 18429 418 1 1 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.925 0.027 18429 419 1 1 . 1 1 74 74 LEU C C 74 179.088 179.088 179.277 -0.189 18429 420 1 1 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.935 -0.161 18429 421 1 1 . 1 1 74 74 LEU CB C 74 41.067 41.067 40.452 0.615 18429 422 1 1 . 1 1 74 74 LEU H H 74 8.396 8.396 7.508 0.888 18429 423 1 1 . 1 1 75 75 GLU N N 75 119.588 119.588 118.986 0.602 18429 424 1 1 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.897 0.148 18429 425 1 1 . 1 1 75 75 GLU C C 75 179.772 179.772 178.951 0.821 18429 426 1 1 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.602 -0.341 18429 427 1 1 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.669 -0.802 18429 428 1 1 . 1 1 75 75 GLU H H 75 7.622 7.622 7.668 -0.046 18429 429 1 1 . 1 1 76 76 GLU N N 76 118.750 118.750 119.212 -0.462 18429 430 1 1 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.091 -0.002 18429 431 1 1 . 1 1 76 76 GLU C C 76 180.103 180.103 179.382 0.721 18429 432 1 1 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.028 0.081 18429 433 1 1 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.384 -0.019 18429 434 1 1 . 1 1 76 76 GLU H H 76 8.127 8.127 7.786 0.341 18429 435 1 1 . 1 1 77 77 ILE N N 77 121.044 121.044 118.725 2.319 18429 436 1 1 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.670 0.154 18429 437 1 1 . 1 1 77 77 ILE C C 77 177.219 177.219 178.099 -0.880 18429 438 1 1 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.222 -0.676 18429 439 1 1 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.581 -0.434 18429 440 1 1 . 1 1 77 77 ILE H H 77 8.715 8.715 7.985 0.730 18429 441 1 1 . 1 1 78 78 GLU N N 78 121.847 121.847 120.402 1.445 18429 442 1 1 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.965 0.077 18429 443 1 1 . 1 1 78 78 GLU C C 78 179.644 179.644 178.627 1.017 18429 444 1 1 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.523 -0.037 18429 445 1 1 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.099 -0.113 18429 446 1 1 . 1 1 78 78 GLU H H 78 8.161 8.161 7.799 0.362 18429 447 1 1 . 1 1 79 79 LYS N N 79 118.842 118.842 119.168 -0.326 18429 448 1 1 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.020 -0.058 18429 449 1 1 . 1 1 79 79 LYS C C 79 179.729 179.729 179.471 0.258 18429 450 1 1 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.472 0.269 18429 451 1 1 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.374 0.056 18429 452 1 1 . 1 1 79 79 LYS H H 79 7.756 7.756 7.667 0.089 18429 453 1 1 . 1 1 80 80 LEU N N 80 120.440 120.440 118.619 1.821 18429 454 1 1 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.119 -0.066 18429 455 1 1 . 1 1 80 80 LEU C C 80 178.939 178.939 178.998 -0.059 18429 456 1 1 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.184 0.771 18429 457 1 1 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.838 -0.162 18429 458 1 1 . 1 1 80 80 LEU H H 80 7.805 7.805 7.556 0.249 18429 459 1 1 . 1 1 81 81 LEU N N 81 119.519 119.519 120.585 -1.066 18429 460 1 1 . 1 1 81 81 LEU HA H 81 3.955 3.955 4.039 -0.084 18429 461 1 1 . 1 1 81 81 LEU C C 81 179.366 179.366 178.358 1.008 18429 462 1 1 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.744 0.032 18429 463 1 1 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.455 0.162 18429 464 1 1 . 1 1 81 81 LEU H H 81 8.423 8.423 8.203 0.220 18429 465 1 1 . 1 1 82 82 LYS N N 82 119.070 119.070 118.554 0.516 18429 466 1 1 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.975 0.156 18429 467 1 1 . 1 1 82 82 LYS C C 82 179.237 179.237 178.726 0.511 18429 468 1 1 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.887 -0.015 18429 469 1 1 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.028 0.184 18429 470 1 1 . 1 1 82 82 LYS H H 82 7.804 7.804 7.713 0.091 18429 471 1 1 . 1 1 83 83 LYS N N 83 119.647 119.647 116.307 3.340 18429 472 1 1 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.148 0.093 18429 473 1 1 . 1 1 83 83 LYS C C 83 178.234 178.234 177.882 0.352 18429 474 1 1 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.194 -0.866 18429 475 1 1 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.666 -0.477 18429 476 1 1 . 1 1 83 83 LYS H H 83 7.737 7.737 7.470 0.267 18429 477 1 1 . 1 1 84 84 ALA N N 84 122.121 122.121 119.727 2.394 18429 478 1 1 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.344 -0.274 18429 479 1 1 . 1 1 84 84 ALA C C 84 179.003 179.003 179.055 -0.052 18429 480 1 1 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.954 0.968 18429 481 1 1 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.111 -0.936 18429 482 1 1 . 1 1 84 84 ALA H H 84 8.259 8.259 7.715 0.544 18429 483 1 1 . 1 1 85 85 GLY N N 85 105.518 105.518 108.084 -2.566 18429 484 1 1 . 1 1 85 85 GLY C C 85 174.759 174.759 173.943 0.816 18429 485 1 1 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.291 1.446 18429 486 1 1 . 1 1 85 85 GLY H H 85 8.191 8.191 7.723 0.468 18429 487 1 1 . 1 1 86 86 SER N N 86 114.680 114.680 119.026 -4.346 18429 488 1 1 . 1 1 86 86 SER HA H 86 4.512 4.512 4.324 0.188 18429 489 1 1 . 1 1 86 86 SER C C 86 174.452 174.452 174.725 -0.273 18429 490 1 1 . 1 1 86 86 SER CA C 86 58.641 58.641 58.895 -0.254 18429 491 1 1 . 1 1 86 86 SER CB C 86 63.751 63.751 62.676 1.075 18429 492 1 1 . 1 1 86 86 SER H H 86 7.884 7.884 8.077 -0.193 18429 493 1 1 . 1 1 87 87 LEU N N 87 122.300 122.300 122.875 -0.575 18429 494 1 1 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.000 0.332 18429 495 1 1 . 1 1 87 87 LEU C C 87 176.845 176.845 175.468 1.377 18429 496 1 1 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.918 -0.926 18429 497 1 1 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.023 1.901 18429 498 1 1 . 1 1 87 87 LEU H H 87 7.806 7.806 8.635 -0.829 18429 499 1 1 . 1 1 88 88 VAL N N 88 120.869 120.869 120.671 0.198 18429 500 1 1 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.408 -0.021 18429 501 1 1 . 1 1 88 88 VAL C C 88 174.367 174.367 174.748 -0.381 18429 502 1 1 . 1 1 88 88 VAL CA C 88 59.756 59.756 59.934 -0.179 18429 503 1 1 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.565 -0.187 18429 504 1 1 . 1 1 88 88 VAL H H 88 7.849 7.849 7.349 0.500 18429 505 1 1 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.546 -0.134 18429 506 1 1 . 1 1 89 89 PRO C C 89 176.898 176.898 176.117 0.781 18429 507 1 1 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.890 0.039 18429 508 1 1 . 1 1 89 89 PRO CB C 89 31.926 31.926 30.721 1.205 18429 509 1 1 . 1 1 90 90 ARG N N 90 121.893 121.893 123.386 -1.493 18429 510 1 1 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.549 -0.258 18429 511 1 1 . 1 1 90 90 ARG C C 90 177.081 177.081 175.553 1.528 18429 512 1 1 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.204 0.121 18429 513 1 1 . 1 1 90 90 ARG CB C 90 30.554 30.554 33.288 -2.734 18429 514 1 1 . 1 1 90 90 ARG H H 90 8.528 8.528 7.785 0.743 18429 515 1 1 . 1 1 91 91 GLY N N 91 109.932 109.932 111.334 -1.402 18429 516 1 1 . 1 1 91 91 GLY C C 91 174.324 174.324 175.272 -0.948 18429 517 1 1 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.743 0.550 18429 518 1 1 . 1 1 91 91 GLY H H 91 8.551 8.551 8.650 -0.099 18429 519 1 1 . 1 1 92 92 SER N N 92 115.612 115.612 117.121 -1.509 18429 520 1 1 . 1 1 92 92 SER HA H 92 4.407 4.407 4.374 0.033 18429 521 1 1 . 1 1 92 92 SER C C 92 174.463 174.463 173.920 0.543 18429 522 1 1 . 1 1 92 92 SER CA C 92 58.310 58.310 58.939 -0.629 18429 523 1 1 . 1 1 92 92 SER CB C 92 63.616 63.616 63.511 0.105 18429 524 1 1 . 1 1 92 92 SER H H 92 8.183 8.183 8.557 -0.374 18429 525 1 1 . 1 1 93 93 TYR N N 93 122.140 122.140 117.016 5.124 18429 526 1 1 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.335 0.171 18429 527 1 1 . 1 1 93 93 TYR C C 93 175.659 175.659 175.216 0.443 18429 528 1 1 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.146 -0.041 18429 529 1 1 . 1 1 93 93 TYR CB C 93 38.291 38.291 37.561 0.730 18429 530 1 1 . 1 1 93 93 TYR H H 93 8.206 8.206 7.480 0.726 18429 531 1 1 . 1 1 94 94 LEU N N 94 123.025 123.025 125.800 -2.775 18429 532 1 1 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.169 0.030 18429 533 1 1 . 1 1 94 94 LEU C C 94 177.037 177.037 176.678 0.359 18429 534 1 1 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.528 0.417 18429 535 1 1 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.180 0.986 18429 536 1 1 . 1 1 94 94 LEU H H 94 8.007 8.007 8.603 -0.596 18429 537 1 1 . 1 1 95 95 GLU N N 95 120.848 120.848 123.799 -2.951 18429 538 1 1 . 1 1 95 95 GLU HA H 95 4.116 4.116 3.988 0.128 18429 539 1 1 . 1 1 95 95 GLU C C 95 176.268 176.268 175.599 0.669 18429 540 1 1 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.526 0.187 18429 541 1 1 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.270 0.776 18429 542 1 1 . 1 1 95 95 GLU H H 95 8.141 8.141 8.469 -0.328 18429 543 1 1 . 1 1 96 96 HIS N N 96 119.288 119.288 123.627 -4.339 18429 544 1 1 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.862 -0.292 18429 545 1 1 . 1 1 96 96 HIS C C 96 174.100 174.100 174.137 -0.037 18429 546 1 1 . 1 1 96 96 HIS CA C 96 55.839 55.839 54.404 1.435 18429 547 1 1 . 1 1 96 96 HIS CB C 96 30.404 30.404 31.950 -1.546 18429 548 1 1 . 1 1 96 96 HIS H H 96 8.144 8.144 8.407 -0.263 18429 549 1 1 . 1 1 97 97 HIS N N 97 125.622 125.622 117.447 8.175 18429 550 1 1 . 1 1 97 97 HIS C C 97 179.480 179.480 174.442 5.038 18429 551 1 1 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.589 0.858 18429 552 1 1 . 1 1 97 97 HIS CB C 97 30.754 30.754 31.648 -0.894 18429 553 1 1 . 1 1 97 97 HIS H H 97 8.017 8.017 8.475 -0.458 18429 554 1 2 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.132 0.184 18429 555 1 2 . 1 1 2 2 GLN C C 2 177.028 177.028 174.899 2.129 18429 556 1 2 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.952 -0.152 18429 557 1 2 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.348 -0.464 18429 558 1 2 . 1 1 3 3 GLU N N 3 123.654 123.654 125.861 -2.207 18429 559 1 2 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.041 0.036 18429 560 1 2 . 1 1 3 3 GLU C C 3 177.945 177.945 176.400 1.545 18429 561 1 2 . 1 1 3 3 GLU CA C 3 59.110 59.110 58.120 0.990 18429 562 1 2 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.275 0.068 18429 563 1 2 . 1 1 3 3 GLU H H 3 8.995 8.995 8.711 0.284 18429 564 1 2 . 1 1 4 4 GLU N N 4 119.237 119.237 122.612 -3.375 18429 565 1 2 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.844 0.225 18429 566 1 2 . 1 1 4 4 GLU C C 4 178.815 178.815 177.078 1.737 18429 567 1 2 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.857 1.295 18429 568 1 2 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.563 -0.345 18429 569 1 2 . 1 1 4 4 GLU H H 4 8.837 8.837 8.802 0.035 18429 570 1 2 . 1 1 5 5 ARG N N 5 120.052 120.052 119.458 0.594 18429 571 1 2 . 1 1 5 5 ARG HA H 5 3.951 3.951 3.938 0.013 18429 572 1 2 . 1 1 5 5 ARG C C 5 177.324 177.324 177.758 -0.434 18429 573 1 2 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.148 0.093 18429 574 1 2 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.210 -0.230 18429 575 1 2 . 1 1 5 5 ARG H H 5 7.884 7.884 7.633 0.251 18429 576 1 2 . 1 1 6 6 LYS N N 6 119.327 119.327 118.419 0.908 18429 577 1 2 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.078 -0.098 18429 578 1 2 . 1 1 6 6 LYS C C 6 178.939 178.939 178.767 0.172 18429 579 1 2 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.007 0.326 18429 580 1 2 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.706 0.448 18429 581 1 2 . 1 1 6 6 LYS H H 6 7.998 7.998 8.227 -0.229 18429 582 1 2 . 1 1 7 7 LYS N N 7 117.908 117.908 118.920 -1.012 18429 583 1 2 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.288 -0.192 18429 584 1 2 . 1 1 7 7 LYS C C 7 179.332 179.332 179.094 0.238 18429 585 1 2 . 1 1 7 7 LYS CA C 7 58.767 58.767 57.867 0.900 18429 586 1 2 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.956 0.341 18429 587 1 2 . 1 1 7 7 LYS H H 7 7.917 7.917 7.615 0.302 18429 588 1 2 . 1 1 8 8 LEU N N 8 120.724 120.724 121.072 -0.348 18429 589 1 2 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.119 -0.070 18429 590 1 2 . 1 1 8 8 LEU C C 8 178.490 178.490 178.436 0.054 18429 591 1 2 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.757 -0.068 18429 592 1 2 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.727 -0.122 18429 593 1 2 . 1 1 8 8 LEU H H 8 7.686 7.686 8.217 -0.531 18429 594 1 2 . 1 1 9 9 LEU N N 9 118.886 118.886 116.853 2.033 18429 595 1 2 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.098 -0.160 18429 596 1 2 . 1 1 9 9 LEU C C 9 178.981 178.981 178.455 0.526 18429 597 1 2 . 1 1 9 9 LEU CA C 9 57.958 57.958 58.227 -0.269 18429 598 1 2 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.794 0.048 18429 599 1 2 . 1 1 9 9 LEU H H 9 8.158 8.158 8.092 0.066 18429 600 1 2 . 1 1 10 10 GLU N N 10 119.000 119.000 120.428 -1.428 18429 601 1 2 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.866 0.186 18429 602 1 2 . 1 1 10 10 GLU C C 10 179.601 179.601 179.103 0.498 18429 603 1 2 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.831 -0.553 18429 604 1 2 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.320 -0.034 18429 605 1 2 . 1 1 10 10 GLU H H 10 8.069 8.069 7.909 0.160 18429 606 1 2 . 1 1 11 11 LYS N N 11 119.446 119.446 117.877 1.569 18429 607 1 2 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.087 -0.004 18429 608 1 2 . 1 1 11 11 LYS C C 11 178.971 178.971 178.895 0.076 18429 609 1 2 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.712 0.060 18429 610 1 2 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.223 -0.227 18429 611 1 2 . 1 1 11 11 LYS H H 11 7.676 7.676 7.604 0.072 18429 612 1 2 . 1 1 12 12 LEU N N 12 120.017 120.017 122.001 -1.984 18429 613 1 2 . 1 1 12 12 LEU HA H 12 3.884 3.884 4.062 -0.178 18429 614 1 2 . 1 1 12 12 LEU C C 12 177.977 177.977 178.321 -0.344 18429 615 1 2 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.571 0.154 18429 616 1 2 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.757 -0.180 18429 617 1 2 . 1 1 12 12 LEU H H 12 8.378 8.378 7.522 0.856 18429 618 1 2 . 1 1 13 13 GLU N N 13 117.914 117.914 119.079 -1.165 18429 619 1 2 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.857 -0.161 18429 620 1 2 . 1 1 13 13 GLU C C 13 177.934 177.934 178.989 -1.055 18429 621 1 2 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.455 0.661 18429 622 1 2 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.855 0.543 18429 623 1 2 . 1 1 13 13 GLU H H 13 8.458 8.458 8.327 0.131 18429 624 1 2 . 1 1 14 14 LYS N N 14 117.629 117.629 119.926 -2.297 18429 625 1 2 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.060 0.075 18429 626 1 2 . 1 1 14 14 LYS C C 14 179.227 179.227 179.032 0.195 18429 627 1 2 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.380 -0.514 18429 628 1 2 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.353 -0.226 18429 629 1 2 . 1 1 14 14 LYS H H 14 7.365 7.365 7.356 0.009 18429 630 1 2 . 1 1 15 15 ILE N N 15 119.583 119.583 120.102 -0.519 18429 631 1 2 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.953 -0.176 18429 632 1 2 . 1 1 15 15 ILE C C 15 178.009 178.009 178.642 -0.633 18429 633 1 2 . 1 1 15 15 ILE CA C 15 64.889 64.889 64.855 0.034 18429 634 1 2 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.939 0.261 18429 635 1 2 . 1 1 15 15 ILE H H 15 7.726 7.726 7.392 0.334 18429 636 1 2 . 1 1 16 16 LEU N N 16 118.601 118.601 119.311 -0.710 18429 637 1 2 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.969 -0.116 18429 638 1 2 . 1 1 16 16 LEU C C 16 179.729 179.729 178.907 0.822 18429 639 1 2 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.019 -0.177 18429 640 1 2 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.880 -0.243 18429 641 1 2 . 1 1 16 16 LEU H H 16 8.372 8.372 8.252 0.120 18429 642 1 2 . 1 1 17 17 ASP N N 17 120.008 120.008 119.911 0.097 18429 643 1 2 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.455 -0.119 18429 644 1 2 . 1 1 17 17 ASP C C 17 178.148 178.148 178.710 -0.562 18429 645 1 2 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.105 0.184 18429 646 1 2 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.196 -0.928 18429 647 1 2 . 1 1 17 17 ASP H H 17 8.192 8.192 7.949 0.243 18429 648 1 2 . 1 1 18 18 GLU N N 18 119.362 119.362 119.628 -0.266 18429 649 1 2 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.142 0.009 18429 650 1 2 . 1 1 18 18 GLU C C 18 179.653 179.653 179.074 0.579 18429 651 1 2 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.794 0.461 18429 652 1 2 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.884 -0.684 18429 653 1 2 . 1 1 18 18 GLU H H 18 7.860 7.860 7.870 -0.010 18429 654 1 2 . 1 1 19 19 VAL N N 19 118.483 118.483 120.311 -1.828 18429 655 1 2 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.711 0.115 18429 656 1 2 . 1 1 19 19 VAL C C 19 177.496 177.496 177.748 -0.252 18429 657 1 2 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.574 -1.677 18429 658 1 2 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.940 -0.131 18429 659 1 2 . 1 1 19 19 VAL H H 19 8.416 8.416 8.304 0.112 18429 660 1 2 . 1 1 20 20 THR N N 20 112.904 112.904 112.230 0.674 18429 661 1 2 . 1 1 20 20 THR HA H 20 3.856 3.856 4.046 -0.190 18429 662 1 2 . 1 1 20 20 THR C C 20 175.894 175.894 176.134 -0.240 18429 663 1 2 . 1 1 20 20 THR CA C 20 65.696 65.696 65.807 -0.111 18429 664 1 2 . 1 1 20 20 THR CB C 20 68.587 68.587 68.541 0.046 18429 665 1 2 . 1 1 20 20 THR H H 20 7.985 7.985 7.861 0.124 18429 666 1 2 . 1 1 21 21 ASP N N 21 120.510 120.510 121.816 -1.306 18429 667 1 2 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.477 -0.034 18429 668 1 2 . 1 1 21 21 ASP C C 21 177.358 177.358 177.764 -0.406 18429 669 1 2 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.321 0.047 18429 670 1 2 . 1 1 21 21 ASP CB C 21 40.873 40.873 41.003 -0.130 18429 671 1 2 . 1 1 21 21 ASP H H 21 7.935 7.935 7.824 0.111 18429 672 1 2 . 1 1 22 22 GLY N N 22 106.730 106.730 106.641 0.089 18429 673 1 2 . 1 1 22 22 GLY C C 22 174.004 174.004 173.699 0.305 18429 674 1 2 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.785 0.042 18429 675 1 2 . 1 1 22 22 GLY H H 22 7.939 7.939 7.874 0.065 18429 676 1 2 . 1 1 23 23 ALA N N 23 124.286 124.286 123.249 1.037 18429 677 1 2 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.729 -0.221 18429 678 1 2 . 1 1 23 23 ALA C C 23 174.921 174.921 175.514 -0.593 18429 679 1 2 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.758 0.593 18429 680 1 2 . 1 1 23 23 ALA CB C 23 17.504 17.504 19.180 -1.676 18429 681 1 2 . 1 1 23 23 ALA H H 23 7.531 7.531 7.244 0.287 18429 682 1 2 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.481 0.082 18429 683 1 2 . 1 1 24 24 PRO C C 24 177.571 177.571 177.301 0.270 18429 684 1 2 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.618 -0.128 18429 685 1 2 . 1 1 24 24 PRO CB C 24 32.098 32.098 33.029 -0.931 18429 686 1 2 . 1 1 25 25 ASP N N 25 122.828 122.828 120.990 1.838 18429 687 1 2 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.191 0.064 18429 688 1 2 . 1 1 25 25 ASP C C 25 178.298 178.298 178.007 0.291 18429 689 1 2 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.477 0.586 18429 690 1 2 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.920 -0.403 18429 691 1 2 . 1 1 25 25 ASP H H 25 8.779 8.779 8.808 -0.029 18429 692 1 2 . 1 1 26 26 GLU N N 26 117.055 117.055 117.238 -0.183 18429 693 1 2 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.111 0.024 18429 694 1 2 . 1 1 26 26 GLU C C 26 177.454 177.454 178.336 -0.882 18429 695 1 2 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.535 0.689 18429 696 1 2 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.163 -0.609 18429 697 1 2 . 1 1 26 26 GLU H H 26 9.324 9.324 8.618 0.706 18429 698 1 2 . 1 1 27 27 ALA N N 27 120.789 120.789 122.285 -1.496 18429 699 1 2 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.308 0.103 18429 700 1 2 . 1 1 27 27 ALA C C 27 178.065 178.065 179.161 -1.096 18429 701 1 2 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.456 -0.577 18429 702 1 2 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.482 1.414 18429 703 1 2 . 1 1 27 27 ALA H H 27 7.474 7.474 7.738 -0.264 18429 704 1 2 . 1 1 28 28 ARG N N 28 118.872 118.872 119.059 -0.187 18429 705 1 2 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.980 -0.305 18429 706 1 2 . 1 1 28 28 ARG C C 28 177.550 177.550 177.510 0.040 18429 707 1 2 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.536 1.066 18429 708 1 2 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.278 -0.734 18429 709 1 2 . 1 1 28 28 ARG H H 28 7.803 7.803 8.132 -0.329 18429 710 1 2 . 1 1 29 29 GLU N N 29 117.512 117.512 118.811 -1.299 18429 711 1 2 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.018 0.024 18429 712 1 2 . 1 1 29 29 GLU C C 29 179.122 179.122 179.227 -0.105 18429 713 1 2 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.353 0.254 18429 714 1 2 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.876 0.365 18429 715 1 2 . 1 1 29 29 GLU H H 29 8.490 8.490 7.829 0.661 18429 716 1 2 . 1 1 30 30 ARG N N 30 119.240 119.240 119.565 -0.325 18429 717 1 2 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.178 -0.044 18429 718 1 2 . 1 1 30 30 ARG C C 30 179.248 179.248 178.867 0.381 18429 719 1 2 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.210 0.619 18429 720 1 2 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.466 0.399 18429 721 1 2 . 1 1 30 30 ARG H H 30 7.789 7.789 7.726 0.063 18429 722 1 2 . 1 1 31 31 ILE N N 31 120.920 120.920 120.665 0.255 18429 723 1 2 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.804 -0.066 18429 724 1 2 . 1 1 31 31 ILE C C 31 177.089 177.089 178.089 -1.000 18429 725 1 2 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.617 -1.799 18429 726 1 2 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.988 -0.903 18429 727 1 2 . 1 1 31 31 ILE H H 31 8.256 8.256 7.455 0.801 18429 728 1 2 . 1 1 32 32 GLU N N 32 120.281 120.281 118.911 1.370 18429 729 1 2 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.932 0.004 18429 730 1 2 . 1 1 32 32 GLU C C 32 179.429 179.429 178.734 0.695 18429 731 1 2 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.365 0.194 18429 732 1 2 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.284 0.119 18429 733 1 2 . 1 1 32 32 GLU H H 32 8.697 8.697 8.479 0.218 18429 734 1 2 . 1 1 33 33 LYS N N 33 119.737 119.737 120.055 -0.318 18429 735 1 2 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.146 -0.088 18429 736 1 2 . 1 1 33 33 LYS C C 33 178.159 178.159 178.868 -0.709 18429 737 1 2 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.097 0.314 18429 738 1 2 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.729 -0.679 18429 739 1 2 . 1 1 33 33 LYS H H 33 7.764 7.764 7.600 0.164 18429 740 1 2 . 1 1 34 34 LEU N N 34 120.133 120.133 120.999 -0.866 18429 741 1 2 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.390 -0.158 18429 742 1 2 . 1 1 34 34 LEU C C 34 178.629 178.629 178.887 -0.258 18429 743 1 2 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.611 -0.104 18429 744 1 2 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.889 -0.092 18429 745 1 2 . 1 1 34 34 LEU H H 34 7.790 7.790 8.080 -0.290 18429 746 1 2 . 1 1 35 35 ALA N N 35 119.492 119.492 120.996 -1.504 18429 747 1 2 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.708 0.060 18429 748 1 2 . 1 1 35 35 ALA C C 35 179.297 179.297 179.434 -0.137 18429 749 1 2 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.453 -0.430 18429 750 1 2 . 1 1 35 35 ALA CB C 35 18.191 18.191 17.934 0.257 18429 751 1 2 . 1 1 35 35 ALA H H 35 8.634 8.634 8.329 0.305 18429 752 1 2 . 1 1 36 36 LYS N N 36 118.470 118.470 117.829 0.641 18429 753 1 2 . 1 1 36 36 LYS HA H 36 3.931 3.931 4.054 -0.123 18429 754 1 2 . 1 1 36 36 LYS C C 36 178.223 178.223 178.470 -0.247 18429 755 1 2 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.247 -0.052 18429 756 1 2 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.263 -0.208 18429 757 1 2 . 1 1 36 36 LYS H H 36 7.704 7.704 7.694 0.010 18429 758 1 2 . 1 1 37 37 ASP N N 37 120.075 120.075 120.121 -0.046 18429 759 1 2 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.571 -0.168 18429 760 1 2 . 1 1 37 37 ASP C C 37 179.334 179.334 178.906 0.428 18429 761 1 2 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.597 -0.416 18429 762 1 2 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.781 -0.803 18429 763 1 2 . 1 1 37 37 ASP H H 37 8.203 8.203 7.880 0.323 18429 764 1 2 . 1 1 38 38 VAL N N 38 118.202 118.202 120.218 -2.016 18429 765 1 2 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.579 0.044 18429 766 1 2 . 1 1 38 38 VAL C C 38 177.017 177.017 177.402 -0.385 18429 767 1 2 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.205 -0.537 18429 768 1 2 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.509 -0.272 18429 769 1 2 . 1 1 38 38 VAL H H 38 8.215 8.215 8.159 0.056 18429 770 1 2 . 1 1 39 39 LYS N N 39 119.236 119.236 119.696 -0.460 18429 771 1 2 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.889 -0.079 18429 772 1 2 . 1 1 39 39 LYS C C 39 178.575 178.575 178.941 -0.366 18429 773 1 2 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.998 -0.285 18429 774 1 2 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.946 0.145 18429 775 1 2 . 1 1 39 39 LYS H H 39 7.780 7.780 7.368 0.412 18429 776 1 2 . 1 1 40 40 ASP N N 40 118.227 118.227 118.674 -0.447 18429 777 1 2 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.379 0.073 18429 778 1 2 . 1 1 40 40 ASP C C 40 178.137 178.137 178.381 -0.244 18429 779 1 2 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.918 -1.495 18429 780 1 2 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.698 -0.288 18429 781 1 2 . 1 1 40 40 ASP H H 40 8.273 8.273 7.798 0.475 18429 782 1 2 . 1 1 41 41 GLU N N 41 119.896 119.896 119.523 0.373 18429 783 1 2 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.131 0.100 18429 784 1 2 . 1 1 41 41 GLU C C 41 177.849 177.849 179.043 -1.194 18429 785 1 2 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.579 -1.194 18429 786 1 2 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.352 0.379 18429 787 1 2 . 1 1 41 41 GLU H H 41 7.875 7.875 7.537 0.338 18429 788 1 2 . 1 1 42 42 LEU N N 42 119.906 119.906 118.373 1.533 18429 789 1 2 . 1 1 42 42 LEU HA H 42 4.124 4.124 3.973 0.151 18429 790 1 2 . 1 1 42 42 LEU C C 42 178.276 178.276 179.481 -1.205 18429 791 1 2 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.782 -1.069 18429 792 1 2 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.631 0.517 18429 793 1 2 . 1 1 42 42 LEU H H 42 7.952 7.952 8.166 -0.214 18429 794 1 2 . 1 1 43 43 GLU N N 43 117.735 117.735 117.493 0.242 18429 795 1 2 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.187 -0.052 18429 796 1 2 . 1 1 43 43 GLU C C 43 177.582 177.582 176.781 0.801 18429 797 1 2 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.392 0.412 18429 798 1 2 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.844 -1.273 18429 799 1 2 . 1 1 43 43 GLU H H 43 8.020 8.020 7.690 0.330 18429 800 1 2 . 1 1 44 44 GLU N N 44 116.308 116.308 119.745 -3.437 18429 801 1 2 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.462 -0.046 18429 802 1 2 . 1 1 44 44 GLU C C 44 177.133 177.133 175.207 1.926 18429 803 1 2 . 1 1 44 44 GLU CA C 44 56.448 56.448 55.840 0.608 18429 804 1 2 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.801 0.313 18429 805 1 2 . 1 1 44 44 GLU H H 44 8.128 8.128 7.928 0.200 18429 806 1 2 . 1 1 45 45 GLY N N 45 109.450 109.450 113.512 -4.062 18429 807 1 2 . 1 1 45 45 GLY C C 45 173.685 173.685 172.321 1.364 18429 808 1 2 . 1 1 45 45 GLY CA C 45 45.374 45.374 45.506 -0.132 18429 809 1 2 . 1 1 45 45 GLY H H 45 8.156 8.156 7.933 0.223 18429 810 1 2 . 1 1 46 46 ASP N N 46 120.995 120.995 119.992 1.003 18429 811 1 2 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.785 -0.097 18429 812 1 2 . 1 1 46 46 ASP C C 46 176.375 176.375 175.213 1.162 18429 813 1 2 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.446 0.179 18429 814 1 2 . 1 1 46 46 ASP CB C 46 41.207 41.207 42.874 -1.667 18429 815 1 2 . 1 1 46 46 ASP H H 46 8.467 8.467 8.340 0.127 18429 816 1 2 . 1 1 47 47 ALA N N 47 124.626 124.626 120.521 4.105 18429 817 1 2 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.348 -0.225 18429 818 1 2 . 1 1 47 47 ALA C C 47 178.084 178.084 178.067 0.017 18429 819 1 2 . 1 1 47 47 ALA CA C 47 53.941 53.941 53.290 0.651 18429 820 1 2 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.453 -0.469 18429 821 1 2 . 1 1 47 47 ALA H H 47 8.483 8.483 8.129 0.354 18429 822 1 2 . 1 1 48 48 LYS N N 48 118.214 118.214 121.422 -3.208 18429 823 1 2 . 1 1 48 48 LYS HA H 48 3.801 3.801 4.009 -0.208 18429 824 1 2 . 1 1 48 48 LYS C C 48 177.582 177.582 178.299 -0.717 18429 825 1 2 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.647 0.465 18429 826 1 2 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.088 0.072 18429 827 1 2 . 1 1 48 48 LYS H H 48 8.349 8.349 8.280 0.069 18429 828 1 2 . 1 1 49 49 ASN N N 49 116.387 116.387 117.987 -1.600 18429 829 1 2 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.764 -0.256 18429 830 1 2 . 1 1 49 49 ASN C C 49 177.753 177.753 177.842 -0.089 18429 831 1 2 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.920 0.061 18429 832 1 2 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.417 -0.052 18429 833 1 2 . 1 1 49 49 ASN H H 49 8.184 8.184 8.311 -0.127 18429 834 1 2 . 1 1 50 50 MET N N 50 118.627 118.627 119.011 -0.384 18429 835 1 2 . 1 1 50 50 MET HA H 50 4.335 4.335 4.285 0.050 18429 836 1 2 . 1 1 50 50 MET C C 50 178.683 178.683 178.896 -0.213 18429 837 1 2 . 1 1 50 50 MET CA C 50 57.203 57.203 57.908 -0.705 18429 838 1 2 . 1 1 50 50 MET CB C 50 32.289 32.289 31.937 0.352 18429 839 1 2 . 1 1 50 50 MET H H 50 8.189 8.189 7.622 0.567 18429 840 1 2 . 1 1 51 51 ILE N N 51 120.778 120.778 120.139 0.639 18429 841 1 2 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.746 -0.053 18429 842 1 2 . 1 1 51 51 ILE C C 51 177.667 177.667 178.073 -0.406 18429 843 1 2 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.308 0.056 18429 844 1 2 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.418 -0.134 18429 845 1 2 . 1 1 51 51 ILE H H 51 8.475 8.475 8.167 0.308 18429 846 1 2 . 1 1 52 52 GLU N N 52 120.715 120.715 121.066 -0.351 18429 847 1 2 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.929 -0.090 18429 848 1 2 . 1 1 52 52 GLU C C 52 178.201 178.201 179.060 -0.859 18429 849 1 2 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.761 0.366 18429 850 1 2 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.445 -0.199 18429 851 1 2 . 1 1 52 52 GLU H H 52 8.372 8.372 8.437 -0.065 18429 852 1 2 . 1 1 53 53 LYS N N 53 118.426 118.426 118.093 0.333 18429 853 1 2 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.217 -0.087 18429 854 1 2 . 1 1 53 53 LYS C C 53 179.163 179.163 179.027 0.136 18429 855 1 2 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.553 1.534 18429 856 1 2 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.132 0.018 18429 857 1 2 . 1 1 53 53 LYS H H 53 7.766 7.766 7.992 -0.226 18429 858 1 2 . 1 1 54 54 PHE N N 54 120.522 120.522 122.308 -1.786 18429 859 1 2 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.220 -0.118 18429 860 1 2 . 1 1 54 54 PHE C C 54 176.920 176.920 176.872 0.048 18429 861 1 2 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.296 0.241 18429 862 1 2 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.384 0.028 18429 863 1 2 . 1 1 54 54 PHE H H 54 7.990 7.990 8.293 -0.303 18429 864 1 2 . 1 1 55 55 ARG N N 55 120.870 120.870 119.722 1.148 18429 865 1 2 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.948 -0.122 18429 866 1 2 . 1 1 55 55 ARG C C 55 178.383 178.383 178.247 0.136 18429 867 1 2 . 1 1 55 55 ARG CA C 55 59.960 59.960 58.847 1.113 18429 868 1 2 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.616 2.499 18429 869 1 2 . 1 1 55 55 ARG H H 55 8.774 8.774 8.103 0.671 18429 870 1 2 . 1 1 56 56 ASP N N 56 119.776 119.776 119.284 0.492 18429 871 1 2 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.377 -0.050 18429 872 1 2 . 1 1 56 56 ASP C C 56 179.398 179.398 177.900 1.498 18429 873 1 2 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.627 -0.071 18429 874 1 2 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.798 -0.981 18429 875 1 2 . 1 1 56 56 ASP H H 56 8.491 8.491 8.127 0.364 18429 876 1 2 . 1 1 57 57 GLU N N 57 120.418 120.418 119.123 1.295 18429 877 1 2 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.101 -0.048 18429 878 1 2 . 1 1 57 57 GLU C C 57 179.708 179.708 178.741 0.967 18429 879 1 2 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.743 0.151 18429 880 1 2 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.734 -0.358 18429 881 1 2 . 1 1 57 57 GLU H H 57 7.894 7.894 7.734 0.160 18429 882 1 2 . 1 1 58 58 MET N N 58 119.674 119.674 118.377 1.297 18429 883 1 2 . 1 1 58 58 MET HA H 58 4.090 4.090 3.950 0.140 18429 884 1 2 . 1 1 58 58 MET C C 58 178.137 178.137 178.168 -0.031 18429 885 1 2 . 1 1 58 58 MET CA C 58 58.568 58.568 59.314 -0.746 18429 886 1 2 . 1 1 58 58 MET CB C 58 31.846 31.846 32.235 -0.389 18429 887 1 2 . 1 1 58 58 MET H H 58 8.352 8.352 7.946 0.406 18429 888 1 2 . 1 1 59 59 GLU N N 59 119.770 119.770 119.931 -0.161 18429 889 1 2 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.973 -0.023 18429 890 1 2 . 1 1 59 59 GLU C C 59 178.939 178.939 179.024 -0.085 18429 891 1 2 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.899 -0.155 18429 892 1 2 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.436 -0.259 18429 893 1 2 . 1 1 59 59 GLU H H 59 8.717 8.717 8.028 0.689 18429 894 1 2 . 1 1 60 60 GLN N N 60 117.895 117.895 118.326 -0.431 18429 895 1 2 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.058 -0.087 18429 896 1 2 . 1 1 60 60 GLN C C 60 178.052 178.052 178.631 -0.579 18429 897 1 2 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.428 -0.174 18429 898 1 2 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.645 -0.527 18429 899 1 2 . 1 1 60 60 GLN H H 60 7.613 7.613 7.396 0.217 18429 900 1 2 . 1 1 61 61 MET N N 61 118.464 118.464 118.112 0.352 18429 901 1 2 . 1 1 61 61 MET HA H 61 4.080 4.080 4.136 -0.056 18429 902 1 2 . 1 1 61 61 MET C C 61 178.545 178.545 178.506 0.039 18429 903 1 2 . 1 1 61 61 MET CA C 61 58.972 58.972 58.986 -0.014 18429 904 1 2 . 1 1 61 61 MET CB C 61 32.309 32.309 32.651 -0.342 18429 905 1 2 . 1 1 61 61 MET H H 61 7.943 7.943 8.197 -0.254 18429 906 1 2 . 1 1 62 62 TYR N N 62 119.118 119.118 119.964 -0.846 18429 907 1 2 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.255 -0.095 18429 908 1 2 . 1 1 62 62 TYR C C 62 176.118 176.118 176.451 -0.333 18429 909 1 2 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.721 -0.470 18429 910 1 2 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.523 -0.134 18429 911 1 2 . 1 1 62 62 TYR H H 62 8.313 8.313 8.043 0.270 18429 912 1 2 . 1 1 63 63 LYS N N 63 117.899 117.899 118.734 -0.835 18429 913 1 2 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.904 -0.108 18429 914 1 2 . 1 1 63 63 LYS C C 63 178.470 178.470 177.220 1.250 18429 915 1 2 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.688 1.114 18429 916 1 2 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.569 -0.551 18429 917 1 2 . 1 1 63 63 LYS H H 63 7.806 7.806 7.572 0.234 18429 918 1 2 . 1 1 64 64 ASP N N 64 116.931 116.931 118.944 -2.013 18429 919 1 2 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.500 -0.015 18429 920 1 2 . 1 1 64 64 ASP C C 64 176.460 176.460 176.174 0.286 18429 921 1 2 . 1 1 64 64 ASP CA C 64 55.640 55.640 56.525 -0.885 18429 922 1 2 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.425 -0.230 18429 923 1 2 . 1 1 64 64 ASP H H 64 7.771 7.771 7.833 -0.062 18429 924 1 2 . 1 1 65 65 ALA N N 65 121.417 121.417 121.133 0.284 18429 925 1 2 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.722 -0.130 18429 926 1 2 . 1 1 65 65 ALA C C 65 180.460 180.460 174.955 5.505 18429 927 1 2 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.493 0.730 18429 928 1 2 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.555 -1.280 18429 929 1 2 . 1 1 65 65 ALA H H 65 7.536 7.536 7.612 -0.076 18429 930 1 2 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.599 -0.627 18429 931 1 2 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.007 2.052 18429 932 1 2 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.525 -0.148 18429 933 1 2 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.695 -0.245 18429 934 1 2 . 1 1 67 67 ASN CA C 67 56.342 56.342 51.622 4.720 18429 935 1 2 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.239 2.344 18429 936 1 2 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.907 0.380 18429 937 1 2 . 1 1 68 68 ALA C C 68 180.039 180.039 177.722 2.317 18429 938 1 2 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.168 0.790 18429 939 1 2 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.341 1.496 18429 940 1 2 . 1 1 69 69 VAL N N 69 119.699 119.699 120.402 -0.703 18429 941 1 2 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.673 0.136 18429 942 1 2 . 1 1 69 69 VAL C C 69 178.578 178.578 177.160 1.418 18429 943 1 2 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.266 0.644 18429 944 1 2 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.834 -0.513 18429 945 1 2 . 1 1 69 69 VAL H H 69 7.968 7.968 7.786 0.182 18429 946 1 2 . 1 1 70 70 MET N N 70 119.158 119.158 119.082 0.076 18429 947 1 2 . 1 1 70 70 MET HA H 70 4.411 4.411 4.054 0.357 18429 948 1 2 . 1 1 70 70 MET C C 70 177.858 177.858 177.326 0.532 18429 949 1 2 . 1 1 70 70 MET CA C 70 56.540 56.540 58.085 -1.545 18429 950 1 2 . 1 1 70 70 MET CB C 70 31.927 31.927 32.133 -0.205 18429 951 1 2 . 1 1 70 70 MET H H 70 8.195 8.195 8.303 -0.108 18429 952 1 2 . 1 1 71 71 GLU N N 71 119.109 119.109 118.280 0.829 18429 953 1 2 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.464 0.058 18429 954 1 2 . 1 1 71 71 GLU C C 71 178.949 178.949 178.637 0.312 18429 955 1 2 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.330 0.471 18429 956 1 2 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.084 0.603 18429 957 1 2 . 1 1 71 71 GLU H H 71 8.122 8.122 7.883 0.239 18429 958 1 2 . 1 1 72 72 GLN N N 72 118.471 118.471 118.412 0.059 18429 959 1 2 . 1 1 72 72 GLN HA H 72 4.122 4.122 3.992 0.130 18429 960 1 2 . 1 1 72 72 GLN C C 72 178.597 178.597 178.395 0.202 18429 961 1 2 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.580 -0.065 18429 962 1 2 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.519 -0.408 18429 963 1 2 . 1 1 72 72 GLN H H 72 7.662 7.662 7.487 0.175 18429 964 1 2 . 1 1 73 73 LEU N N 73 120.880 120.880 120.702 0.178 18429 965 1 2 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.132 -0.088 18429 966 1 2 . 1 1 73 73 LEU C C 73 178.992 178.992 178.964 0.028 18429 967 1 2 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.338 0.709 18429 968 1 2 . 1 1 73 73 LEU CB C 73 41.377 41.377 40.714 0.663 18429 969 1 2 . 1 1 73 73 LEU H H 73 8.170 8.170 7.486 0.684 18429 970 1 2 . 1 1 74 74 LEU N N 74 119.628 119.628 119.425 0.203 18429 971 1 2 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.869 0.083 18429 972 1 2 . 1 1 74 74 LEU C C 74 179.088 179.088 179.410 -0.322 18429 973 1 2 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.983 -0.209 18429 974 1 2 . 1 1 74 74 LEU CB C 74 41.067 41.067 40.212 0.855 18429 975 1 2 . 1 1 74 74 LEU H H 74 8.396 8.396 7.616 0.780 18429 976 1 2 . 1 1 75 75 GLU N N 75 119.588 119.588 119.519 0.069 18429 977 1 2 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.946 0.099 18429 978 1 2 . 1 1 75 75 GLU C C 75 179.772 179.772 178.856 0.916 18429 979 1 2 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.469 -0.208 18429 980 1 2 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.260 -0.393 18429 981 1 2 . 1 1 75 75 GLU H H 75 7.622 7.622 8.050 -0.428 18429 982 1 2 . 1 1 76 76 GLU N N 76 118.750 118.750 118.690 0.060 18429 983 1 2 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.117 -0.028 18429 984 1 2 . 1 1 76 76 GLU C C 76 180.103 180.103 179.555 0.548 18429 985 1 2 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.908 0.201 18429 986 1 2 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.406 -0.041 18429 987 1 2 . 1 1 76 76 GLU H H 76 8.127 8.127 7.828 0.299 18429 988 1 2 . 1 1 77 77 ILE N N 77 121.044 121.044 120.332 0.712 18429 989 1 2 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.726 0.098 18429 990 1 2 . 1 1 77 77 ILE C C 77 177.219 177.219 178.265 -1.046 18429 991 1 2 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.318 -0.772 18429 992 1 2 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.753 -0.606 18429 993 1 2 . 1 1 77 77 ILE H H 77 8.715 8.715 8.205 0.510 18429 994 1 2 . 1 1 78 78 GLU N N 78 121.847 121.847 120.419 1.428 18429 995 1 2 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.999 0.043 18429 996 1 2 . 1 1 78 78 GLU C C 78 179.644 179.644 179.198 0.446 18429 997 1 2 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.645 -0.159 18429 998 1 2 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.053 -0.067 18429 999 1 2 . 1 1 78 78 GLU H H 78 8.161 8.161 7.841 0.320 18429 1000 1 2 . 1 1 79 79 LYS N N 79 118.842 118.842 118.862 -0.020 18429 1001 1 2 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.069 -0.107 18429 1002 1 2 . 1 1 79 79 LYS C C 79 179.729 179.729 179.489 0.240 18429 1003 1 2 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.513 1.228 18429 1004 1 2 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.157 0.273 18429 1005 1 2 . 1 1 79 79 LYS H H 79 7.756 7.756 8.060 -0.304 18429 1006 1 2 . 1 1 80 80 LEU N N 80 120.440 120.440 120.251 0.189 18429 1007 1 2 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.200 -0.147 18429 1008 1 2 . 1 1 80 80 LEU C C 80 178.939 178.939 178.578 0.361 18429 1009 1 2 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.383 0.572 18429 1010 1 2 . 1 1 80 80 LEU CB C 80 41.676 41.676 42.260 -0.584 18429 1011 1 2 . 1 1 80 80 LEU H H 80 7.805 7.805 7.598 0.207 18429 1012 1 2 . 1 1 81 81 LEU N N 81 119.519 119.519 120.094 -0.575 18429 1013 1 2 . 1 1 81 81 LEU HA H 81 3.955 3.955 4.005 -0.050 18429 1014 1 2 . 1 1 81 81 LEU C C 81 179.366 179.366 178.044 1.322 18429 1015 1 2 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.327 0.449 18429 1016 1 2 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.601 0.016 18429 1017 1 2 . 1 1 81 81 LEU H H 81 8.423 8.423 7.996 0.427 18429 1018 1 2 . 1 1 82 82 LYS N N 82 119.070 119.070 116.343 2.727 18429 1019 1 2 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.997 0.134 18429 1020 1 2 . 1 1 82 82 LYS C C 82 179.237 179.237 178.339 0.898 18429 1021 1 2 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.750 0.122 18429 1022 1 2 . 1 1 82 82 LYS CB C 82 32.212 32.212 31.978 0.234 18429 1023 1 2 . 1 1 82 82 LYS H H 82 7.804 7.804 7.890 -0.086 18429 1024 1 2 . 1 1 83 83 LYS N N 83 119.647 119.647 117.724 1.923 18429 1025 1 2 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.192 0.049 18429 1026 1 2 . 1 1 83 83 LYS C C 83 178.234 178.234 177.058 1.176 18429 1027 1 2 . 1 1 83 83 LYS CA C 83 57.328 57.328 56.426 0.902 18429 1028 1 2 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.799 -0.610 18429 1029 1 2 . 1 1 83 83 LYS H H 83 7.737 7.737 7.728 0.009 18429 1030 1 2 . 1 1 84 84 ALA N N 84 122.121 122.121 122.627 -0.506 18429 1031 1 2 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.213 -0.143 18429 1032 1 2 . 1 1 84 84 ALA C C 84 179.003 179.003 176.321 2.682 18429 1033 1 2 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.296 1.626 18429 1034 1 2 . 1 1 84 84 ALA CB C 84 18.175 18.175 18.274 -0.099 18429 1035 1 2 . 1 1 84 84 ALA H H 84 8.259 8.259 7.791 0.468 18429 1036 1 2 . 1 1 85 85 GLY N N 85 105.518 105.518 110.252 -4.734 18429 1037 1 2 . 1 1 85 85 GLY C C 85 174.759 174.759 173.077 1.682 18429 1038 1 2 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.250 1.487 18429 1039 1 2 . 1 1 85 85 GLY H H 85 8.191 8.191 7.713 0.478 18429 1040 1 2 . 1 1 86 86 SER N N 86 114.680 114.680 115.590 -0.910 18429 1041 1 2 . 1 1 86 86 SER HA H 86 4.512 4.512 4.503 0.009 18429 1042 1 2 . 1 1 86 86 SER C C 86 174.452 174.452 175.461 -1.009 18429 1043 1 2 . 1 1 86 86 SER CA C 86 58.641 58.641 58.200 0.441 18429 1044 1 2 . 1 1 86 86 SER CB C 86 63.751 63.751 63.870 -0.119 18429 1045 1 2 . 1 1 86 86 SER H H 86 7.884 7.884 8.206 -0.322 18429 1046 1 2 . 1 1 87 87 LEU N N 87 122.300 122.300 125.070 -2.770 18429 1047 1 2 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.262 0.070 18429 1048 1 2 . 1 1 87 87 LEU C C 87 176.845 176.845 176.013 0.832 18429 1049 1 2 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.219 -0.227 18429 1050 1 2 . 1 1 87 87 LEU CB C 87 41.924 41.924 39.959 1.965 18429 1051 1 2 . 1 1 87 87 LEU H H 87 7.806 7.806 8.604 -0.798 18429 1052 1 2 . 1 1 88 88 VAL N N 88 120.869 120.869 121.320 -0.451 18429 1053 1 2 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.610 -0.223 18429 1054 1 2 . 1 1 88 88 VAL C C 88 174.367 174.367 174.005 0.362 18429 1055 1 2 . 1 1 88 88 VAL CA C 88 59.756 59.756 58.421 1.335 18429 1056 1 2 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.596 -0.218 18429 1057 1 2 . 1 1 88 88 VAL H H 88 7.849 7.849 7.833 0.016 18429 1058 1 2 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.590 -0.178 18429 1059 1 2 . 1 1 89 89 PRO C C 89 176.898 176.898 177.339 -0.441 18429 1060 1 2 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.530 0.399 18429 1061 1 2 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.320 -0.394 18429 1062 1 2 . 1 1 90 90 ARG N N 90 121.893 121.893 121.522 0.371 18429 1063 1 2 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.342 -0.051 18429 1064 1 2 . 1 1 90 90 ARG C C 90 177.081 177.081 176.286 0.795 18429 1065 1 2 . 1 1 90 90 ARG CA C 90 56.325 56.325 55.658 0.667 18429 1066 1 2 . 1 1 90 90 ARG CB C 90 30.554 30.554 28.860 1.694 18429 1067 1 2 . 1 1 90 90 ARG H H 90 8.528 8.528 8.637 -0.109 18429 1068 1 2 . 1 1 91 91 GLY N N 91 109.932 109.932 108.517 1.415 18429 1069 1 2 . 1 1 91 91 GLY C C 91 174.324 174.324 174.967 -0.643 18429 1070 1 2 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.319 0.974 18429 1071 1 2 . 1 1 91 91 GLY H H 91 8.551 8.551 7.475 1.076 18429 1072 1 2 . 1 1 92 92 SER N N 92 115.612 115.612 115.762 -0.150 18429 1073 1 2 . 1 1 92 92 SER HA H 92 4.407 4.407 4.362 0.045 18429 1074 1 2 . 1 1 92 92 SER C C 92 174.463 174.463 174.418 0.045 18429 1075 1 2 . 1 1 92 92 SER CA C 92 58.310 58.310 58.473 -0.163 18429 1076 1 2 . 1 1 92 92 SER CB C 92 63.616 63.616 63.691 -0.075 18429 1077 1 2 . 1 1 92 92 SER H H 92 8.183 8.183 8.632 -0.449 18429 1078 1 2 . 1 1 93 93 TYR N N 93 122.140 122.140 120.646 1.494 18429 1079 1 2 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.317 0.189 18429 1080 1 2 . 1 1 93 93 TYR C C 93 175.659 175.659 174.406 1.253 18429 1081 1 2 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.940 0.166 18429 1082 1 2 . 1 1 93 93 TYR CB C 93 38.291 38.291 37.817 0.474 18429 1083 1 2 . 1 1 93 93 TYR H H 93 8.206 8.206 7.907 0.299 18429 1084 1 2 . 1 1 94 94 LEU N N 94 123.025 123.025 126.431 -3.406 18429 1085 1 2 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.464 -0.265 18429 1086 1 2 . 1 1 94 94 LEU C C 94 177.037 177.037 177.004 0.033 18429 1087 1 2 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.488 0.457 18429 1088 1 2 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.393 -0.227 18429 1089 1 2 . 1 1 94 94 LEU H H 94 8.007 8.007 8.006 0.001 18429 1090 1 2 . 1 1 95 95 GLU N N 95 120.848 120.848 121.725 -0.877 18429 1091 1 2 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.108 0.008 18429 1092 1 2 . 1 1 95 95 GLU C C 95 176.268 176.268 175.061 1.207 18429 1093 1 2 . 1 1 95 95 GLU CA C 95 56.713 56.713 57.269 -0.556 18429 1094 1 2 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.983 0.063 18429 1095 1 2 . 1 1 95 95 GLU H H 95 8.141 8.141 8.520 -0.379 18429 1096 1 2 . 1 1 96 96 HIS N N 96 119.288 119.288 119.444 -0.156 18429 1097 1 2 . 1 1 96 96 HIS HA H 96 4.570 4.570 5.005 -0.435 18429 1098 1 2 . 1 1 96 96 HIS C C 96 174.100 174.100 174.522 -0.422 18429 1099 1 2 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.788 0.050 18429 1100 1 2 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.550 -0.146 18429 1101 1 2 . 1 1 96 96 HIS H H 96 8.144 8.144 8.678 -0.534 18429 1102 1 2 . 1 1 97 97 HIS N N 97 125.622 125.622 116.709 8.913 18429 1103 1 2 . 1 1 97 97 HIS C C 97 179.480 179.480 174.955 4.525 18429 1104 1 2 . 1 1 97 97 HIS CA C 97 57.447 57.447 57.450 -0.003 18429 1105 1 2 . 1 1 97 97 HIS CB C 97 30.754 30.754 27.463 3.291 18429 1106 1 2 . 1 1 97 97 HIS H H 97 8.017 8.017 8.643 -0.626 18429 1107 1 3 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.497 -0.181 18429 1108 1 3 . 1 1 2 2 GLN C C 2 177.028 177.028 176.612 0.416 18429 1109 1 3 . 1 1 2 2 GLN CA C 2 56.800 56.800 57.283 -0.483 18429 1110 1 3 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.697 -0.813 18429 1111 1 3 . 1 1 3 3 GLU N N 3 123.654 123.654 120.581 3.073 18429 1112 1 3 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.186 -0.109 18429 1113 1 3 . 1 1 3 3 GLU C C 3 177.945 177.945 177.749 0.196 18429 1114 1 3 . 1 1 3 3 GLU CA C 3 59.110 59.110 58.655 0.455 18429 1115 1 3 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.579 -0.236 18429 1116 1 3 . 1 1 3 3 GLU H H 3 8.995 8.995 8.480 0.515 18429 1117 1 3 . 1 1 4 4 GLU N N 4 119.237 119.237 115.137 4.100 18429 1118 1 3 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.359 -0.290 18429 1119 1 3 . 1 1 4 4 GLU C C 4 178.815 178.815 177.310 1.505 18429 1120 1 3 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.687 1.465 18429 1121 1 3 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.297 -0.078 18429 1122 1 3 . 1 1 4 4 GLU H H 4 8.837 8.837 8.137 0.700 18429 1123 1 3 . 1 1 5 5 ARG N N 5 120.052 120.052 121.211 -1.159 18429 1124 1 3 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.062 -0.111 18429 1125 1 3 . 1 1 5 5 ARG C C 5 177.324 177.324 177.820 -0.496 18429 1126 1 3 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.881 0.360 18429 1127 1 3 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.823 0.158 18429 1128 1 3 . 1 1 5 5 ARG H H 5 7.884 7.884 8.647 -0.763 18429 1129 1 3 . 1 1 6 6 LYS N N 6 119.327 119.327 118.722 0.605 18429 1130 1 3 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.108 -0.128 18429 1131 1 3 . 1 1 6 6 LYS C C 6 178.939 178.939 178.436 0.503 18429 1132 1 3 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.801 0.531 18429 1133 1 3 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.356 0.798 18429 1134 1 3 . 1 1 6 6 LYS H H 6 7.998 7.998 8.445 -0.447 18429 1135 1 3 . 1 1 7 7 LYS N N 7 117.908 117.908 119.398 -1.490 18429 1136 1 3 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.171 -0.075 18429 1137 1 3 . 1 1 7 7 LYS C C 7 179.332 179.332 178.925 0.407 18429 1138 1 3 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.855 -0.088 18429 1139 1 3 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.591 0.706 18429 1140 1 3 . 1 1 7 7 LYS H H 7 7.917 7.917 8.047 -0.130 18429 1141 1 3 . 1 1 8 8 LEU N N 8 120.724 120.724 121.280 -0.556 18429 1142 1 3 . 1 1 8 8 LEU HA H 8 4.049 4.049 3.965 0.084 18429 1143 1 3 . 1 1 8 8 LEU C C 8 178.490 178.490 178.293 0.197 18429 1144 1 3 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.103 -0.414 18429 1145 1 3 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.943 -0.338 18429 1146 1 3 . 1 1 8 8 LEU H H 8 7.686 7.686 8.042 -0.356 18429 1147 1 3 . 1 1 9 9 LEU N N 9 118.886 118.886 117.477 1.409 18429 1148 1 3 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.918 0.020 18429 1149 1 3 . 1 1 9 9 LEU C C 9 178.981 178.981 179.160 -0.179 18429 1150 1 3 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.559 0.400 18429 1151 1 3 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.338 -0.496 18429 1152 1 3 . 1 1 9 9 LEU H H 9 8.158 8.158 7.334 0.824 18429 1153 1 3 . 1 1 10 10 GLU N N 10 119.000 119.000 119.104 -0.104 18429 1154 1 3 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.971 0.081 18429 1155 1 3 . 1 1 10 10 GLU C C 10 179.601 179.601 178.881 0.720 18429 1156 1 3 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.335 -0.057 18429 1157 1 3 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.193 0.093 18429 1158 1 3 . 1 1 10 10 GLU H H 10 8.069 8.069 8.301 -0.232 18429 1159 1 3 . 1 1 11 11 LYS N N 11 119.446 119.446 120.820 -1.374 18429 1160 1 3 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.080 0.003 18429 1161 1 3 . 1 1 11 11 LYS C C 11 178.971 178.971 178.686 0.285 18429 1162 1 3 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.670 0.102 18429 1163 1 3 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.992 0.004 18429 1164 1 3 . 1 1 11 11 LYS H H 11 7.676 7.676 7.794 -0.118 18429 1165 1 3 . 1 1 12 12 LEU N N 12 120.017 120.017 119.886 0.131 18429 1166 1 3 . 1 1 12 12 LEU HA H 12 3.884 3.884 4.063 -0.179 18429 1167 1 3 . 1 1 12 12 LEU C C 12 177.977 177.977 178.561 -0.584 18429 1168 1 3 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.722 0.003 18429 1169 1 3 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.226 0.351 18429 1170 1 3 . 1 1 12 12 LEU H H 12 8.378 8.378 7.428 0.950 18429 1171 1 3 . 1 1 13 13 GLU N N 13 117.914 117.914 119.360 -1.446 18429 1172 1 3 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.870 -0.174 18429 1173 1 3 . 1 1 13 13 GLU C C 13 177.934 177.934 179.298 -1.364 18429 1174 1 3 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.583 0.533 18429 1175 1 3 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.906 0.492 18429 1176 1 3 . 1 1 13 13 GLU H H 13 8.458 8.458 7.992 0.466 18429 1177 1 3 . 1 1 14 14 LYS N N 14 117.629 117.629 118.972 -1.343 18429 1178 1 3 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.040 0.095 18429 1179 1 3 . 1 1 14 14 LYS C C 14 179.227 179.227 179.412 -0.185 18429 1180 1 3 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.149 -0.283 18429 1181 1 3 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.315 -0.188 18429 1182 1 3 . 1 1 14 14 LYS H H 14 7.365 7.365 7.684 -0.319 18429 1183 1 3 . 1 1 15 15 ILE N N 15 119.583 119.583 120.049 -0.466 18429 1184 1 3 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.703 0.074 18429 1185 1 3 . 1 1 15 15 ILE C C 15 178.009 178.009 177.791 0.218 18429 1186 1 3 . 1 1 15 15 ILE CA C 15 64.889 64.889 64.762 0.127 18429 1187 1 3 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.794 0.406 18429 1188 1 3 . 1 1 15 15 ILE H H 15 7.726 7.726 7.328 0.398 18429 1189 1 3 . 1 1 16 16 LEU N N 16 118.601 118.601 121.269 -2.668 18429 1190 1 3 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.773 0.080 18429 1191 1 3 . 1 1 16 16 LEU C C 16 179.729 179.729 179.001 0.728 18429 1192 1 3 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.359 -0.518 18429 1193 1 3 . 1 1 16 16 LEU CB C 16 40.637 40.637 41.178 -0.541 18429 1194 1 3 . 1 1 16 16 LEU H H 16 8.372 8.372 7.825 0.547 18429 1195 1 3 . 1 1 17 17 ASP N N 17 120.008 120.008 117.717 2.291 18429 1196 1 3 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.455 -0.119 18429 1197 1 3 . 1 1 17 17 ASP C C 17 178.148 178.148 178.997 -0.849 18429 1198 1 3 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.152 0.137 18429 1199 1 3 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.374 -0.106 18429 1200 1 3 . 1 1 17 17 ASP H H 17 8.192 8.192 8.199 -0.007 18429 1201 1 3 . 1 1 18 18 GLU N N 18 119.362 119.362 119.938 -0.576 18429 1202 1 3 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.247 -0.096 18429 1203 1 3 . 1 1 18 18 GLU C C 18 179.653 179.653 178.683 0.970 18429 1204 1 3 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.737 0.518 18429 1205 1 3 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.764 -0.564 18429 1206 1 3 . 1 1 18 18 GLU H H 18 7.860 7.860 7.611 0.249 18429 1207 1 3 . 1 1 19 19 VAL N N 19 118.483 118.483 119.451 -0.968 18429 1208 1 3 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.909 -0.083 18429 1209 1 3 . 1 1 19 19 VAL C C 19 177.496 177.496 177.243 0.253 18429 1210 1 3 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.518 -0.621 18429 1211 1 3 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.905 -0.097 18429 1212 1 3 . 1 1 19 19 VAL H H 19 8.416 8.416 8.203 0.213 18429 1213 1 3 . 1 1 20 20 THR N N 20 112.904 112.904 111.149 1.755 18429 1214 1 3 . 1 1 20 20 THR HA H 20 3.856 3.856 4.070 -0.214 18429 1215 1 3 . 1 1 20 20 THR C C 20 175.894 175.894 176.125 -0.231 18429 1216 1 3 . 1 1 20 20 THR CA C 20 65.696 65.696 66.252 -0.556 18429 1217 1 3 . 1 1 20 20 THR CB C 20 68.587 68.587 68.438 0.149 18429 1218 1 3 . 1 1 20 20 THR H H 20 7.985 7.985 7.950 0.035 18429 1219 1 3 . 1 1 21 21 ASP N N 21 120.510 120.510 121.544 -1.034 18429 1220 1 3 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.582 -0.139 18429 1221 1 3 . 1 1 21 21 ASP C C 21 177.358 177.358 178.327 -0.969 18429 1222 1 3 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.668 -0.300 18429 1223 1 3 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.997 -0.124 18429 1224 1 3 . 1 1 21 21 ASP H H 21 7.935 7.935 7.589 0.346 18429 1225 1 3 . 1 1 22 22 GLY N N 22 106.730 106.730 107.342 -0.612 18429 1226 1 3 . 1 1 22 22 GLY C C 22 174.004 174.004 173.706 0.298 18429 1227 1 3 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.578 0.249 18429 1228 1 3 . 1 1 22 22 GLY H H 22 7.939 7.939 7.952 -0.013 18429 1229 1 3 . 1 1 23 23 ALA N N 23 124.286 124.286 123.338 0.948 18429 1230 1 3 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.566 -0.058 18429 1231 1 3 . 1 1 23 23 ALA C C 23 174.921 174.921 175.573 -0.652 18429 1232 1 3 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.882 0.469 18429 1233 1 3 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.952 -1.448 18429 1234 1 3 . 1 1 23 23 ALA H H 23 7.531 7.531 7.230 0.301 18429 1235 1 3 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.513 0.050 18429 1236 1 3 . 1 1 24 24 PRO C C 24 177.571 177.571 176.889 0.682 18429 1237 1 3 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.346 0.144 18429 1238 1 3 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.735 -0.637 18429 1239 1 3 . 1 1 25 25 ASP N N 25 122.828 122.828 122.004 0.824 18429 1240 1 3 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.236 0.019 18429 1241 1 3 . 1 1 25 25 ASP C C 25 178.298 178.298 177.538 0.760 18429 1242 1 3 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.637 0.426 18429 1243 1 3 . 1 1 25 25 ASP CB C 25 40.517 40.517 41.150 -0.633 18429 1244 1 3 . 1 1 25 25 ASP H H 25 8.779 8.779 8.644 0.135 18429 1245 1 3 . 1 1 26 26 GLU N N 26 117.055 117.055 117.467 -0.412 18429 1246 1 3 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.164 -0.029 18429 1247 1 3 . 1 1 26 26 GLU C C 26 177.454 177.454 178.066 -0.612 18429 1248 1 3 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.443 0.781 18429 1249 1 3 . 1 1 26 26 GLU CB C 26 28.554 28.554 28.719 -0.165 18429 1250 1 3 . 1 1 26 26 GLU H H 26 9.324 9.324 8.502 0.822 18429 1251 1 3 . 1 1 27 27 ALA N N 27 120.789 120.789 123.438 -2.649 18429 1252 1 3 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.202 0.209 18429 1253 1 3 . 1 1 27 27 ALA C C 27 178.065 178.065 179.356 -1.291 18429 1254 1 3 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.907 -1.028 18429 1255 1 3 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.167 1.729 18429 1256 1 3 . 1 1 27 27 ALA H H 27 7.474 7.474 7.679 -0.205 18429 1257 1 3 . 1 1 28 28 ARG N N 28 118.872 118.872 119.440 -0.568 18429 1258 1 3 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.911 -0.236 18429 1259 1 3 . 1 1 28 28 ARG C C 28 177.550 177.550 177.883 -0.333 18429 1260 1 3 . 1 1 28 28 ARG CA C 28 60.602 60.602 60.147 0.455 18429 1261 1 3 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.216 -0.672 18429 1262 1 3 . 1 1 28 28 ARG H H 28 7.803 7.803 8.124 -0.321 18429 1263 1 3 . 1 1 29 29 GLU N N 29 117.512 117.512 117.829 -0.317 18429 1264 1 3 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.181 -0.139 18429 1265 1 3 . 1 1 29 29 GLU C C 29 179.122 179.122 179.129 -0.007 18429 1266 1 3 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.383 0.224 18429 1267 1 3 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.050 0.191 18429 1268 1 3 . 1 1 29 29 GLU H H 29 8.490 8.490 8.276 0.214 18429 1269 1 3 . 1 1 30 30 ARG N N 30 119.240 119.240 120.187 -0.947 18429 1270 1 3 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.128 0.006 18429 1271 1 3 . 1 1 30 30 ARG C C 30 179.248 179.248 178.813 0.435 18429 1272 1 3 . 1 1 30 30 ARG CA C 30 58.829 58.829 59.048 -0.219 18429 1273 1 3 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.922 -0.058 18429 1274 1 3 . 1 1 30 30 ARG H H 30 7.789 7.789 7.563 0.226 18429 1275 1 3 . 1 1 31 31 ILE N N 31 120.920 120.920 119.279 1.641 18429 1276 1 3 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.831 -0.093 18429 1277 1 3 . 1 1 31 31 ILE C C 31 177.089 177.089 178.351 -1.262 18429 1278 1 3 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.239 -1.421 18429 1279 1 3 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.780 -0.695 18429 1280 1 3 . 1 1 31 31 ILE H H 31 8.256 8.256 7.865 0.391 18429 1281 1 3 . 1 1 32 32 GLU N N 32 120.281 120.281 120.238 0.043 18429 1282 1 3 . 1 1 32 32 GLU HA H 32 3.936 3.936 4.072 -0.136 18429 1283 1 3 . 1 1 32 32 GLU C C 32 179.429 179.429 179.225 0.204 18429 1284 1 3 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.833 -0.274 18429 1285 1 3 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.334 0.069 18429 1286 1 3 . 1 1 32 32 GLU H H 32 8.697 8.697 8.516 0.181 18429 1287 1 3 . 1 1 33 33 LYS N N 33 119.737 119.737 120.249 -0.512 18429 1288 1 3 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.108 -0.050 18429 1289 1 3 . 1 1 33 33 LYS C C 33 178.159 178.159 179.416 -1.257 18429 1290 1 3 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.322 0.089 18429 1291 1 3 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.468 -0.418 18429 1292 1 3 . 1 1 33 33 LYS H H 33 7.764 7.764 7.785 -0.021 18429 1293 1 3 . 1 1 34 34 LEU N N 34 120.133 120.133 120.176 -0.043 18429 1294 1 3 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.186 0.046 18429 1295 1 3 . 1 1 34 34 LEU C C 34 178.629 178.629 178.297 0.332 18429 1296 1 3 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.943 -0.436 18429 1297 1 3 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.962 -0.165 18429 1298 1 3 . 1 1 34 34 LEU H H 34 7.790 7.790 8.097 -0.307 18429 1299 1 3 . 1 1 35 35 ALA N N 35 119.492 119.492 121.788 -2.296 18429 1300 1 3 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.707 0.061 18429 1301 1 3 . 1 1 35 35 ALA C C 35 179.297 179.297 179.070 0.227 18429 1302 1 3 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.590 -0.568 18429 1303 1 3 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.175 0.016 18429 1304 1 3 . 1 1 35 35 ALA H H 35 8.634 8.634 8.510 0.124 18429 1305 1 3 . 1 1 36 36 LYS N N 36 118.470 118.470 118.229 0.241 18429 1306 1 3 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.861 0.070 18429 1307 1 3 . 1 1 36 36 LYS C C 36 178.223 178.223 178.087 0.136 18429 1308 1 3 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.742 -0.547 18429 1309 1 3 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.257 -0.202 18429 1310 1 3 . 1 1 36 36 LYS H H 36 7.704 7.704 7.820 -0.116 18429 1311 1 3 . 1 1 37 37 ASP N N 37 120.075 120.075 119.917 0.158 18429 1312 1 3 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.191 0.212 18429 1313 1 3 . 1 1 37 37 ASP C C 37 179.334 179.334 178.637 0.697 18429 1314 1 3 . 1 1 37 37 ASP CA C 37 57.181 57.181 56.917 0.264 18429 1315 1 3 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.483 -0.506 18429 1316 1 3 . 1 1 37 37 ASP H H 37 8.203 8.203 7.668 0.535 18429 1317 1 3 . 1 1 38 38 VAL N N 38 118.202 118.202 119.557 -1.355 18429 1318 1 3 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.509 0.114 18429 1319 1 3 . 1 1 38 38 VAL C C 38 177.017 177.017 178.068 -1.051 18429 1320 1 3 . 1 1 38 38 VAL CA C 38 65.668 65.668 65.966 -0.298 18429 1321 1 3 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.503 -0.266 18429 1322 1 3 . 1 1 38 38 VAL H H 38 8.215 8.215 7.949 0.267 18429 1323 1 3 . 1 1 39 39 LYS N N 39 119.236 119.236 119.966 -0.730 18429 1324 1 3 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.986 -0.176 18429 1325 1 3 . 1 1 39 39 LYS C C 39 178.575 178.575 178.852 -0.277 18429 1326 1 3 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.507 0.206 18429 1327 1 3 . 1 1 39 39 LYS CB C 39 32.091 32.091 32.163 -0.072 18429 1328 1 3 . 1 1 39 39 LYS H H 39 7.780 7.780 7.857 -0.077 18429 1329 1 3 . 1 1 40 40 ASP N N 40 118.227 118.227 119.376 -1.149 18429 1330 1 3 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.424 0.028 18429 1331 1 3 . 1 1 40 40 ASP C C 40 178.137 178.137 178.423 -0.286 18429 1332 1 3 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.110 -0.687 18429 1333 1 3 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.209 0.201 18429 1334 1 3 . 1 1 40 40 ASP H H 40 8.273 8.273 7.821 0.452 18429 1335 1 3 . 1 1 41 41 GLU N N 41 119.896 119.896 119.986 -0.090 18429 1336 1 3 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.135 0.096 18429 1337 1 3 . 1 1 41 41 GLU C C 41 177.849 177.849 178.622 -0.773 18429 1338 1 3 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.531 -1.146 18429 1339 1 3 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.557 0.174 18429 1340 1 3 . 1 1 41 41 GLU H H 41 7.875 7.875 7.982 -0.107 18429 1341 1 3 . 1 1 42 42 LEU N N 42 119.906 119.906 118.417 1.489 18429 1342 1 3 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.138 -0.014 18429 1343 1 3 . 1 1 42 42 LEU C C 42 178.276 178.276 177.870 0.406 18429 1344 1 3 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.212 0.501 18429 1345 1 3 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.579 0.569 18429 1346 1 3 . 1 1 42 42 LEU H H 42 7.952 7.952 7.997 -0.045 18429 1347 1 3 . 1 1 43 43 GLU N N 43 117.735 117.735 117.628 0.107 18429 1348 1 3 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.186 -0.051 18429 1349 1 3 . 1 1 43 43 GLU C C 43 177.582 177.582 177.417 0.165 18429 1350 1 3 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.474 0.330 18429 1351 1 3 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.242 -0.671 18429 1352 1 3 . 1 1 43 43 GLU H H 43 8.020 8.020 7.565 0.455 18429 1353 1 3 . 1 1 44 44 GLU N N 44 116.308 116.308 116.051 0.257 18429 1354 1 3 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.494 -0.078 18429 1355 1 3 . 1 1 44 44 GLU C C 44 177.133 177.133 176.939 0.194 18429 1356 1 3 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.393 0.055 18429 1357 1 3 . 1 1 44 44 GLU CB C 44 31.114 31.114 32.346 -1.232 18429 1358 1 3 . 1 1 44 44 GLU H H 44 8.128 8.128 7.924 0.204 18429 1359 1 3 . 1 1 45 45 GLY N N 45 109.450 109.450 108.692 0.758 18429 1360 1 3 . 1 1 45 45 GLY C C 45 173.685 173.685 174.780 -1.095 18429 1361 1 3 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.708 0.666 18429 1362 1 3 . 1 1 45 45 GLY H H 45 8.156 8.156 7.481 0.675 18429 1363 1 3 . 1 1 46 46 ASP N N 46 120.995 120.995 120.192 0.803 18429 1364 1 3 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.554 0.134 18429 1365 1 3 . 1 1 46 46 ASP C C 46 176.375 176.375 177.675 -1.300 18429 1366 1 3 . 1 1 46 46 ASP CA C 46 53.625 53.625 56.880 -3.255 18429 1367 1 3 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.609 -0.402 18429 1368 1 3 . 1 1 46 46 ASP H H 46 8.467 8.467 8.213 0.254 18429 1369 1 3 . 1 1 47 47 ALA N N 47 124.626 124.626 120.225 4.401 18429 1370 1 3 . 1 1 47 47 ALA HA H 47 4.123 4.123 3.682 0.441 18429 1371 1 3 . 1 1 47 47 ALA C C 47 178.084 178.084 178.165 -0.081 18429 1372 1 3 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.604 -0.663 18429 1373 1 3 . 1 1 47 47 ALA CB C 47 18.984 18.984 16.772 2.212 18429 1374 1 3 . 1 1 47 47 ALA H H 47 8.483 8.483 7.906 0.577 18429 1375 1 3 . 1 1 48 48 LYS N N 48 118.214 118.214 120.861 -2.647 18429 1376 1 3 . 1 1 48 48 LYS HA H 48 3.801 3.801 4.009 -0.208 18429 1377 1 3 . 1 1 48 48 LYS C C 48 177.582 177.582 178.463 -0.881 18429 1378 1 3 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.227 0.885 18429 1379 1 3 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.244 -0.084 18429 1380 1 3 . 1 1 48 48 LYS H H 48 8.349 8.349 8.048 0.301 18429 1381 1 3 . 1 1 49 49 ASN N N 49 116.387 116.387 117.394 -1.007 18429 1382 1 3 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.708 -0.200 18429 1383 1 3 . 1 1 49 49 ASN C C 49 177.753 177.753 177.577 0.176 18429 1384 1 3 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.603 0.377 18429 1385 1 3 . 1 1 49 49 ASN CB C 49 38.365 38.365 37.677 0.688 18429 1386 1 3 . 1 1 49 49 ASN H H 49 8.184 8.184 8.437 -0.253 18429 1387 1 3 . 1 1 50 50 MET N N 50 118.627 118.627 118.803 -0.176 18429 1388 1 3 . 1 1 50 50 MET HA H 50 4.335 4.335 4.306 0.029 18429 1389 1 3 . 1 1 50 50 MET C C 50 178.683 178.683 178.817 -0.134 18429 1390 1 3 . 1 1 50 50 MET CA C 50 57.203 57.203 57.946 -0.743 18429 1391 1 3 . 1 1 50 50 MET CB C 50 32.289 32.289 31.720 0.569 18429 1392 1 3 . 1 1 50 50 MET H H 50 8.189 8.189 7.963 0.226 18429 1393 1 3 . 1 1 51 51 ILE N N 51 120.778 120.778 120.565 0.213 18429 1394 1 3 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.658 0.035 18429 1395 1 3 . 1 1 51 51 ILE C C 51 177.667 177.667 178.002 -0.335 18429 1396 1 3 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.639 -0.275 18429 1397 1 3 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.368 -0.084 18429 1398 1 3 . 1 1 51 51 ILE H H 51 8.475 8.475 8.066 0.409 18429 1399 1 3 . 1 1 52 52 GLU N N 52 120.715 120.715 119.313 1.402 18429 1400 1 3 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.093 -0.254 18429 1401 1 3 . 1 1 52 52 GLU C C 52 178.201 178.201 179.228 -1.027 18429 1402 1 3 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.347 0.780 18429 1403 1 3 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.298 -0.052 18429 1404 1 3 . 1 1 52 52 GLU H H 52 8.372 8.372 7.738 0.634 18429 1405 1 3 . 1 1 53 53 LYS N N 53 118.426 118.426 119.730 -1.304 18429 1406 1 3 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.129 0.001 18429 1407 1 3 . 1 1 53 53 LYS C C 53 179.163 179.163 178.462 0.701 18429 1408 1 3 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.286 0.801 18429 1409 1 3 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.107 0.043 18429 1410 1 3 . 1 1 53 53 LYS H H 53 7.766 7.766 8.127 -0.361 18429 1411 1 3 . 1 1 54 54 PHE N N 54 120.522 120.522 121.212 -0.690 18429 1412 1 3 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.146 -0.044 18429 1413 1 3 . 1 1 54 54 PHE C C 54 176.920 176.920 177.015 -0.095 18429 1414 1 3 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.457 0.080 18429 1415 1 3 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.342 0.070 18429 1416 1 3 . 1 1 54 54 PHE H H 54 7.990 7.990 8.324 -0.334 18429 1417 1 3 . 1 1 55 55 ARG N N 55 120.870 120.870 119.453 1.417 18429 1418 1 3 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.908 -0.082 18429 1419 1 3 . 1 1 55 55 ARG C C 55 178.383 178.383 178.164 0.219 18429 1420 1 3 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.335 0.625 18429 1421 1 3 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.433 2.682 18429 1422 1 3 . 1 1 55 55 ARG H H 55 8.774 8.774 8.199 0.575 18429 1423 1 3 . 1 1 56 56 ASP N N 56 119.776 119.776 119.274 0.502 18429 1424 1 3 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.414 -0.087 18429 1425 1 3 . 1 1 56 56 ASP C C 56 179.398 179.398 178.491 0.907 18429 1426 1 3 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.494 0.062 18429 1427 1 3 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.895 -1.077 18429 1428 1 3 . 1 1 56 56 ASP H H 56 8.491 8.491 7.771 0.720 18429 1429 1 3 . 1 1 57 57 GLU N N 57 120.418 120.418 119.479 0.939 18429 1430 1 3 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.018 0.035 18429 1431 1 3 . 1 1 57 57 GLU C C 57 179.708 179.708 178.788 0.920 18429 1432 1 3 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.350 0.544 18429 1433 1 3 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.658 -0.282 18429 1434 1 3 . 1 1 57 57 GLU H H 57 7.894 7.894 7.557 0.337 18429 1435 1 3 . 1 1 58 58 MET N N 58 119.674 119.674 120.086 -0.412 18429 1436 1 3 . 1 1 58 58 MET HA H 58 4.090 4.090 3.908 0.182 18429 1437 1 3 . 1 1 58 58 MET C C 58 178.137 178.137 177.736 0.401 18429 1438 1 3 . 1 1 58 58 MET CA C 58 58.568 58.568 57.873 0.695 18429 1439 1 3 . 1 1 58 58 MET CB C 58 31.846 31.846 32.039 -0.193 18429 1440 1 3 . 1 1 58 58 MET H H 58 8.352 8.352 8.274 0.078 18429 1441 1 3 . 1 1 59 59 GLU N N 59 119.770 119.770 119.036 0.734 18429 1442 1 3 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.916 0.034 18429 1443 1 3 . 1 1 59 59 GLU C C 59 178.939 178.939 178.775 0.164 18429 1444 1 3 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.617 0.127 18429 1445 1 3 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.497 -0.320 18429 1446 1 3 . 1 1 59 59 GLU H H 59 8.717 8.717 7.876 0.841 18429 1447 1 3 . 1 1 60 60 GLN N N 60 117.895 117.895 119.428 -1.533 18429 1448 1 3 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.038 -0.067 18429 1449 1 3 . 1 1 60 60 GLN C C 60 178.052 178.052 178.726 -0.674 18429 1450 1 3 . 1 1 60 60 GLN CA C 60 58.254 58.254 59.039 -0.785 18429 1451 1 3 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.754 -0.636 18429 1452 1 3 . 1 1 60 60 GLN H H 60 7.613 7.613 7.503 0.110 18429 1453 1 3 . 1 1 61 61 MET N N 61 118.464 118.464 116.083 2.381 18429 1454 1 3 . 1 1 61 61 MET HA H 61 4.080 4.080 4.277 -0.197 18429 1455 1 3 . 1 1 61 61 MET C C 61 178.545 178.545 178.414 0.131 18429 1456 1 3 . 1 1 61 61 MET CA C 61 58.972 58.972 58.347 0.625 18429 1457 1 3 . 1 1 61 61 MET CB C 61 32.309 32.309 32.508 -0.199 18429 1458 1 3 . 1 1 61 61 MET H H 61 7.943 7.943 7.928 0.015 18429 1459 1 3 . 1 1 62 62 TYR N N 62 119.118 119.118 123.764 -4.646 18429 1460 1 3 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.221 -0.061 18429 1461 1 3 . 1 1 62 62 TYR C C 62 176.118 176.118 177.086 -0.968 18429 1462 1 3 . 1 1 62 62 TYR CA C 62 60.251 60.251 61.124 -0.873 18429 1463 1 3 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.428 -0.040 18429 1464 1 3 . 1 1 62 62 TYR H H 62 8.313 8.313 8.084 0.229 18429 1465 1 3 . 1 1 63 63 LYS N N 63 117.899 117.899 118.036 -0.137 18429 1466 1 3 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.738 0.058 18429 1467 1 3 . 1 1 63 63 LYS C C 63 178.470 178.470 177.900 0.570 18429 1468 1 3 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.731 0.070 18429 1469 1 3 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.189 -0.171 18429 1470 1 3 . 1 1 63 63 LYS H H 63 7.806 7.806 7.811 -0.005 18429 1471 1 3 . 1 1 64 64 ASP N N 64 116.931 116.931 118.639 -1.708 18429 1472 1 3 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.494 -0.009 18429 1473 1 3 . 1 1 64 64 ASP C C 64 176.460 176.460 175.836 0.624 18429 1474 1 3 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.363 0.277 18429 1475 1 3 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.790 -0.594 18429 1476 1 3 . 1 1 64 64 ASP H H 64 7.771 7.771 7.768 0.003 18429 1477 1 3 . 1 1 65 65 ALA N N 65 121.417 121.417 121.487 -0.070 18429 1478 1 3 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.680 -0.088 18429 1479 1 3 . 1 1 65 65 ALA C C 65 180.460 180.460 174.596 5.864 18429 1480 1 3 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.516 0.707 18429 1481 1 3 . 1 1 65 65 ALA CB C 65 18.275 18.275 20.143 -1.868 18429 1482 1 3 . 1 1 65 65 ALA H H 65 7.536 7.536 7.577 -0.041 18429 1483 1 3 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.221 -0.249 18429 1484 1 3 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.248 1.811 18429 1485 1 3 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.273 0.104 18429 1486 1 3 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.924 -0.474 18429 1487 1 3 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.318 4.024 18429 1488 1 3 . 1 1 67 67 ASN CB C 67 40.583 40.583 41.620 -1.037 18429 1489 1 3 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.196 0.091 18429 1490 1 3 . 1 1 68 68 ALA C C 68 180.039 180.039 179.099 0.940 18429 1491 1 3 . 1 1 68 68 ALA CA C 68 54.958 54.958 55.225 -0.267 18429 1492 1 3 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.522 0.315 18429 1493 1 3 . 1 1 69 69 VAL N N 69 119.699 119.699 119.785 -0.086 18429 1494 1 3 . 1 1 69 69 VAL HA H 69 3.809 3.809 4.043 -0.234 18429 1495 1 3 . 1 1 69 69 VAL C C 69 178.578 178.578 177.615 0.963 18429 1496 1 3 . 1 1 69 69 VAL CA C 69 65.910 65.910 64.789 1.121 18429 1497 1 3 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.429 -0.108 18429 1498 1 3 . 1 1 69 69 VAL H H 69 7.968 7.968 8.162 -0.194 18429 1499 1 3 . 1 1 70 70 MET N N 70 119.158 119.158 117.659 1.499 18429 1500 1 3 . 1 1 70 70 MET HA H 70 4.411 4.411 4.079 0.332 18429 1501 1 3 . 1 1 70 70 MET C C 70 177.858 177.858 177.397 0.461 18429 1502 1 3 . 1 1 70 70 MET CA C 70 56.540 56.540 58.850 -2.310 18429 1503 1 3 . 1 1 70 70 MET CB C 70 31.927 31.927 32.243 -0.316 18429 1504 1 3 . 1 1 70 70 MET H H 70 8.195 8.195 8.327 -0.132 18429 1505 1 3 . 1 1 71 71 GLU N N 71 119.109 119.109 118.981 0.128 18429 1506 1 3 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.228 0.294 18429 1507 1 3 . 1 1 71 71 GLU C C 71 178.949 178.949 178.714 0.235 18429 1508 1 3 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.425 0.376 18429 1509 1 3 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.084 0.603 18429 1510 1 3 . 1 1 71 71 GLU H H 71 8.122 8.122 7.663 0.459 18429 1511 1 3 . 1 1 72 72 GLN N N 72 118.471 118.471 118.510 -0.039 18429 1512 1 3 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.006 0.116 18429 1513 1 3 . 1 1 72 72 GLN C C 72 178.597 178.597 178.831 -0.234 18429 1514 1 3 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.565 -0.050 18429 1515 1 3 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.580 -0.469 18429 1516 1 3 . 1 1 72 72 GLN H H 72 7.662 7.662 7.566 0.096 18429 1517 1 3 . 1 1 73 73 LEU N N 73 120.880 120.880 119.414 1.466 18429 1518 1 3 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.054 -0.010 18429 1519 1 3 . 1 1 73 73 LEU C C 73 178.992 178.992 178.631 0.361 18429 1520 1 3 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.568 0.479 18429 1521 1 3 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.477 -0.100 18429 1522 1 3 . 1 1 73 73 LEU H H 73 8.170 8.170 7.827 0.343 18429 1523 1 3 . 1 1 74 74 LEU N N 74 119.628 119.628 119.853 -0.225 18429 1524 1 3 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.879 0.073 18429 1525 1 3 . 1 1 74 74 LEU C C 74 179.088 179.088 179.200 -0.112 18429 1526 1 3 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.247 -0.473 18429 1527 1 3 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.170 -0.103 18429 1528 1 3 . 1 1 74 74 LEU H H 74 8.396 8.396 7.206 1.190 18429 1529 1 3 . 1 1 75 75 GLU N N 75 119.588 119.588 119.065 0.523 18429 1530 1 3 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.937 0.108 18429 1531 1 3 . 1 1 75 75 GLU C C 75 179.772 179.772 178.772 1.000 18429 1532 1 3 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.168 0.093 18429 1533 1 3 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.060 -0.193 18429 1534 1 3 . 1 1 75 75 GLU H H 75 7.622 7.622 7.644 -0.022 18429 1535 1 3 . 1 1 76 76 GLU N N 76 118.750 118.750 118.979 -0.229 18429 1536 1 3 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.046 0.043 18429 1537 1 3 . 1 1 76 76 GLU C C 76 180.103 180.103 179.421 0.682 18429 1538 1 3 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.214 -0.104 18429 1539 1 3 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.395 -0.030 18429 1540 1 3 . 1 1 76 76 GLU H H 76 8.127 8.127 7.881 0.246 18429 1541 1 3 . 1 1 77 77 ILE N N 77 121.044 121.044 119.624 1.420 18429 1542 1 3 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.718 0.106 18429 1543 1 3 . 1 1 77 77 ILE C C 77 177.219 177.219 178.069 -0.850 18429 1544 1 3 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.173 -0.627 18429 1545 1 3 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.852 -0.706 18429 1546 1 3 . 1 1 77 77 ILE H H 77 8.715 8.715 7.928 0.787 18429 1547 1 3 . 1 1 78 78 GLU N N 78 121.847 121.847 120.387 1.460 18429 1548 1 3 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.967 0.075 18429 1549 1 3 . 1 1 78 78 GLU C C 78 179.644 179.644 178.901 0.743 18429 1550 1 3 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.804 -0.318 18429 1551 1 3 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.430 -0.444 18429 1552 1 3 . 1 1 78 78 GLU H H 78 8.161 8.161 7.871 0.290 18429 1553 1 3 . 1 1 79 79 LYS N N 79 118.842 118.842 118.993 -0.151 18429 1554 1 3 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.086 -0.124 18429 1555 1 3 . 1 1 79 79 LYS C C 79 179.729 179.729 179.499 0.230 18429 1556 1 3 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.564 1.177 18429 1557 1 3 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.078 0.352 18429 1558 1 3 . 1 1 79 79 LYS H H 79 7.756 7.756 7.755 0.001 18429 1559 1 3 . 1 1 80 80 LEU N N 80 120.440 120.440 120.474 -0.034 18429 1560 1 3 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.102 -0.049 18429 1561 1 3 . 1 1 80 80 LEU C C 80 178.939 178.939 178.905 0.034 18429 1562 1 3 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.562 0.393 18429 1563 1 3 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.617 0.059 18429 1564 1 3 . 1 1 80 80 LEU H H 80 7.805 7.805 7.662 0.143 18429 1565 1 3 . 1 1 81 81 LEU N N 81 119.519 119.519 119.277 0.242 18429 1566 1 3 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.920 0.035 18429 1567 1 3 . 1 1 81 81 LEU C C 81 179.366 179.366 178.530 0.836 18429 1568 1 3 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.402 -0.626 18429 1569 1 3 . 1 1 81 81 LEU CB C 81 41.617 41.617 40.957 0.660 18429 1570 1 3 . 1 1 81 81 LEU H H 81 8.423 8.423 8.077 0.346 18429 1571 1 3 . 1 1 82 82 LYS N N 82 119.070 119.070 116.967 2.103 18429 1572 1 3 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.993 0.138 18429 1573 1 3 . 1 1 82 82 LYS C C 82 179.237 179.237 178.883 0.354 18429 1574 1 3 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.630 0.242 18429 1575 1 3 . 1 1 82 82 LYS CB C 82 32.212 32.212 31.935 0.277 18429 1576 1 3 . 1 1 82 82 LYS H H 82 7.804 7.804 7.492 0.312 18429 1577 1 3 . 1 1 83 83 LYS N N 83 119.647 119.647 119.316 0.331 18429 1578 1 3 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.074 0.167 18429 1579 1 3 . 1 1 83 83 LYS C C 83 178.234 178.234 177.077 1.157 18429 1580 1 3 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.277 -0.949 18429 1581 1 3 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.980 -0.791 18429 1582 1 3 . 1 1 83 83 LYS H H 83 7.737 7.737 7.435 0.302 18429 1583 1 3 . 1 1 84 84 ALA N N 84 122.121 122.121 120.945 1.176 18429 1584 1 3 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.433 -0.363 18429 1585 1 3 . 1 1 84 84 ALA C C 84 179.003 179.003 177.450 1.553 18429 1586 1 3 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.127 1.796 18429 1587 1 3 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.341 -1.166 18429 1588 1 3 . 1 1 84 84 ALA H H 84 8.259 8.259 7.881 0.378 18429 1589 1 3 . 1 1 85 85 GLY N N 85 105.518 105.518 111.511 -5.993 18429 1590 1 3 . 1 1 85 85 GLY C C 85 174.759 174.759 175.941 -1.182 18429 1591 1 3 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.677 0.060 18429 1592 1 3 . 1 1 85 85 GLY H H 85 8.191 8.191 8.726 -0.534 18429 1593 1 3 . 1 1 86 86 SER N N 86 114.680 114.680 115.461 -0.781 18429 1594 1 3 . 1 1 86 86 SER HA H 86 4.512 4.512 4.114 0.398 18429 1595 1 3 . 1 1 86 86 SER C C 86 174.452 174.452 176.089 -1.637 18429 1596 1 3 . 1 1 86 86 SER CA C 86 58.641 58.641 60.676 -2.035 18429 1597 1 3 . 1 1 86 86 SER CB C 86 63.751 63.751 62.990 0.761 18429 1598 1 3 . 1 1 86 86 SER H H 86 7.884 7.884 8.691 -0.807 18429 1599 1 3 . 1 1 87 87 LEU N N 87 122.300 122.300 119.908 2.392 18429 1600 1 3 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.262 0.070 18429 1601 1 3 . 1 1 87 87 LEU C C 87 176.845 176.845 176.558 0.287 18429 1602 1 3 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.153 -0.161 18429 1603 1 3 . 1 1 87 87 LEU CB C 87 41.924 41.924 42.455 -0.531 18429 1604 1 3 . 1 1 87 87 LEU H H 87 7.806 7.806 7.657 0.149 18429 1605 1 3 . 1 1 88 88 VAL N N 88 120.869 120.869 117.688 3.181 18429 1606 1 3 . 1 1 88 88 VAL HA H 88 4.387 4.387 3.885 0.502 18429 1607 1 3 . 1 1 88 88 VAL C C 88 174.367 174.367 175.671 -1.304 18429 1608 1 3 . 1 1 88 88 VAL CA C 88 59.756 59.756 62.505 -2.749 18429 1609 1 3 . 1 1 88 88 VAL CB C 88 32.378 32.378 30.270 2.108 18429 1610 1 3 . 1 1 88 88 VAL H H 88 7.849 7.849 7.579 0.270 18429 1611 1 3 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.381 0.031 18429 1612 1 3 . 1 1 89 89 PRO C C 89 176.898 176.898 177.232 -0.334 18429 1613 1 3 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.648 -0.719 18429 1614 1 3 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.102 -0.176 18429 1615 1 3 . 1 1 90 90 ARG N N 90 121.893 121.893 117.431 4.462 18429 1616 1 3 . 1 1 90 90 ARG HA H 90 4.291 4.291 3.965 0.326 18429 1617 1 3 . 1 1 90 90 ARG C C 90 177.081 177.081 175.982 1.099 18429 1618 1 3 . 1 1 90 90 ARG CA C 90 56.325 56.325 57.025 -0.700 18429 1619 1 3 . 1 1 90 90 ARG CB C 90 30.554 30.554 29.043 1.511 18429 1620 1 3 . 1 1 90 90 ARG H H 90 8.528 8.528 8.304 0.224 18429 1621 1 3 . 1 1 91 91 GLY N N 91 109.932 109.932 107.231 2.701 18429 1622 1 3 . 1 1 91 91 GLY C C 91 174.324 174.324 173.760 0.564 18429 1623 1 3 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.236 1.057 18429 1624 1 3 . 1 1 91 91 GLY H H 91 8.551 8.551 8.080 0.471 18429 1625 1 3 . 1 1 92 92 SER N N 92 115.612 115.612 117.835 -2.223 18429 1626 1 3 . 1 1 92 92 SER HA H 92 4.407 4.407 4.219 0.188 18429 1627 1 3 . 1 1 92 92 SER C C 92 174.463 174.463 174.430 0.033 18429 1628 1 3 . 1 1 92 92 SER CA C 92 58.310 58.310 58.675 -0.365 18429 1629 1 3 . 1 1 92 92 SER CB C 92 63.616 63.616 63.563 0.053 18429 1630 1 3 . 1 1 92 92 SER H H 92 8.183 8.183 7.513 0.670 18429 1631 1 3 . 1 1 93 93 TYR N N 93 122.140 122.140 127.575 -5.435 18429 1632 1 3 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.713 -0.207 18429 1633 1 3 . 1 1 93 93 TYR C C 93 175.659 175.659 175.455 0.204 18429 1634 1 3 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.905 0.200 18429 1635 1 3 . 1 1 93 93 TYR CB C 93 38.291 38.291 40.045 -1.754 18429 1636 1 3 . 1 1 93 93 TYR H H 93 8.206 8.206 8.164 0.042 18429 1637 1 3 . 1 1 94 94 LEU N N 94 123.025 123.025 122.176 0.849 18429 1638 1 3 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.727 -0.528 18429 1639 1 3 . 1 1 94 94 LEU C C 94 177.037 177.037 176.121 0.916 18429 1640 1 3 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.436 0.509 18429 1641 1 3 . 1 1 94 94 LEU CB C 94 42.166 42.166 45.480 -3.313 18429 1642 1 3 . 1 1 94 94 LEU H H 94 8.007 8.007 8.313 -0.306 18429 1643 1 3 . 1 1 95 95 GLU N N 95 120.848 120.848 118.833 2.015 18429 1644 1 3 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.499 -0.383 18429 1645 1 3 . 1 1 95 95 GLU C C 95 176.268 176.268 174.976 1.292 18429 1646 1 3 . 1 1 95 95 GLU CA C 95 56.713 56.713 55.858 0.855 18429 1647 1 3 . 1 1 95 95 GLU CB C 95 30.046 30.046 31.330 -1.284 18429 1648 1 3 . 1 1 95 95 GLU H H 95 8.141 8.141 8.456 -0.315 18429 1649 1 3 . 1 1 96 96 HIS N N 96 119.288 119.288 124.024 -4.736 18429 1650 1 3 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.782 -0.212 18429 1651 1 3 . 1 1 96 96 HIS C C 96 174.100 174.100 174.227 -0.127 18429 1652 1 3 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.152 -0.313 18429 1653 1 3 . 1 1 96 96 HIS CB C 96 30.404 30.404 29.124 1.280 18429 1654 1 3 . 1 1 96 96 HIS H H 96 8.144 8.144 8.889 -0.745 18429 1655 1 3 . 1 1 97 97 HIS N N 97 125.622 125.622 118.912 6.710 18429 1656 1 3 . 1 1 97 97 HIS C C 97 179.480 179.480 174.337 5.143 18429 1657 1 3 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.850 1.597 18429 1658 1 3 . 1 1 97 97 HIS CB C 97 30.754 30.754 32.010 -1.256 18429 1659 1 3 . 1 1 97 97 HIS H H 97 8.017 8.017 7.951 0.066 18429 1660 1 4 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.448 -0.132 18429 1661 1 4 . 1 1 2 2 GLN C C 2 177.028 177.028 176.967 0.061 18429 1662 1 4 . 1 1 2 2 GLN CA C 2 56.800 56.800 55.775 1.025 18429 1663 1 4 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.559 -0.675 18429 1664 1 4 . 1 1 3 3 GLU N N 3 123.654 123.654 125.894 -2.240 18429 1665 1 4 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.967 0.110 18429 1666 1 4 . 1 1 3 3 GLU C C 3 177.945 177.945 178.504 -0.559 18429 1667 1 4 . 1 1 3 3 GLU CA C 3 59.110 59.110 59.104 0.006 18429 1668 1 4 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.675 -0.333 18429 1669 1 4 . 1 1 3 3 GLU H H 3 8.995 8.995 9.063 -0.068 18429 1670 1 4 . 1 1 4 4 GLU N N 4 119.237 119.237 120.509 -1.272 18429 1671 1 4 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.094 -0.025 18429 1672 1 4 . 1 1 4 4 GLU C C 4 178.815 178.815 178.870 -0.055 18429 1673 1 4 . 1 1 4 4 GLU CA C 4 59.152 59.152 59.412 -0.260 18429 1674 1 4 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.439 -0.221 18429 1675 1 4 . 1 1 4 4 GLU H H 4 8.837 8.837 8.640 0.197 18429 1676 1 4 . 1 1 5 5 ARG N N 5 120.052 120.052 118.139 1.913 18429 1677 1 4 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.132 -0.181 18429 1678 1 4 . 1 1 5 5 ARG C C 5 177.324 177.324 178.900 -1.576 18429 1679 1 4 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.530 0.711 18429 1680 1 4 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.126 -0.145 18429 1681 1 4 . 1 1 5 5 ARG H H 5 7.884 7.884 8.216 -0.332 18429 1682 1 4 . 1 1 6 6 LYS N N 6 119.327 119.327 120.206 -0.879 18429 1683 1 4 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.102 -0.122 18429 1684 1 4 . 1 1 6 6 LYS C C 6 178.939 178.939 178.259 0.680 18429 1685 1 4 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.394 0.938 18429 1686 1 4 . 1 1 6 6 LYS CB C 6 32.154 32.154 32.168 -0.014 18429 1687 1 4 . 1 1 6 6 LYS H H 6 7.998 7.998 8.088 -0.090 18429 1688 1 4 . 1 1 7 7 LYS N N 7 117.908 117.908 119.966 -2.058 18429 1689 1 4 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.035 0.061 18429 1690 1 4 . 1 1 7 7 LYS C C 7 179.332 179.332 178.744 0.588 18429 1691 1 4 . 1 1 7 7 LYS CA C 7 58.767 58.767 59.340 -0.573 18429 1692 1 4 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.007 0.290 18429 1693 1 4 . 1 1 7 7 LYS H H 7 7.917 7.917 7.902 0.015 18429 1694 1 4 . 1 1 8 8 LEU N N 8 120.724 120.724 120.924 -0.200 18429 1695 1 4 . 1 1 8 8 LEU HA H 8 4.049 4.049 3.996 0.053 18429 1696 1 4 . 1 1 8 8 LEU C C 8 178.490 178.490 178.486 0.004 18429 1697 1 4 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.206 -0.517 18429 1698 1 4 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.889 -0.284 18429 1699 1 4 . 1 1 8 8 LEU H H 8 7.686 7.686 7.472 0.214 18429 1700 1 4 . 1 1 9 9 LEU N N 9 118.886 118.886 117.470 1.416 18429 1701 1 4 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.982 -0.044 18429 1702 1 4 . 1 1 9 9 LEU C C 9 178.981 178.981 179.642 -0.661 18429 1703 1 4 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.274 0.684 18429 1704 1 4 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.483 0.360 18429 1705 1 4 . 1 1 9 9 LEU H H 9 8.158 8.158 7.475 0.683 18429 1706 1 4 . 1 1 10 10 GLU N N 10 119.000 119.000 119.809 -0.809 18429 1707 1 4 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.188 -0.136 18429 1708 1 4 . 1 1 10 10 GLU C C 10 179.601 179.601 178.869 0.732 18429 1709 1 4 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.087 0.191 18429 1710 1 4 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.418 -0.132 18429 1711 1 4 . 1 1 10 10 GLU H H 10 8.069 8.069 8.458 -0.389 18429 1712 1 4 . 1 1 11 11 LYS N N 11 119.446 119.446 120.790 -1.344 18429 1713 1 4 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.091 -0.008 18429 1714 1 4 . 1 1 11 11 LYS C C 11 178.971 178.971 178.740 0.231 18429 1715 1 4 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.603 0.169 18429 1716 1 4 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.798 0.198 18429 1717 1 4 . 1 1 11 11 LYS H H 11 7.676 7.676 7.740 -0.064 18429 1718 1 4 . 1 1 12 12 LEU N N 12 120.017 120.017 119.295 0.722 18429 1719 1 4 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.896 -0.012 18429 1720 1 4 . 1 1 12 12 LEU C C 12 177.977 177.977 178.674 -0.697 18429 1721 1 4 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.012 -0.287 18429 1722 1 4 . 1 1 12 12 LEU CB C 12 41.577 41.577 40.695 0.882 18429 1723 1 4 . 1 1 12 12 LEU H H 12 8.378 8.378 7.596 0.782 18429 1724 1 4 . 1 1 13 13 GLU N N 13 117.914 117.914 119.014 -1.100 18429 1725 1 4 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.802 -0.106 18429 1726 1 4 . 1 1 13 13 GLU C C 13 177.934 177.934 178.749 -0.815 18429 1727 1 4 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.885 0.231 18429 1728 1 4 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.145 0.253 18429 1729 1 4 . 1 1 13 13 GLU H H 13 8.458 8.458 7.712 0.746 18429 1730 1 4 . 1 1 14 14 LYS N N 14 117.629 117.629 120.291 -2.662 18429 1731 1 4 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.014 0.121 18429 1732 1 4 . 1 1 14 14 LYS C C 14 179.227 179.227 179.139 0.088 18429 1733 1 4 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.335 -0.469 18429 1734 1 4 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.407 -0.280 18429 1735 1 4 . 1 1 14 14 LYS H H 14 7.365 7.365 7.767 -0.402 18429 1736 1 4 . 1 1 15 15 ILE N N 15 119.583 119.583 119.982 -0.399 18429 1737 1 4 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.718 0.059 18429 1738 1 4 . 1 1 15 15 ILE C C 15 178.009 178.009 178.407 -0.398 18429 1739 1 4 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.143 -0.254 18429 1740 1 4 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.943 0.258 18429 1741 1 4 . 1 1 15 15 ILE H H 15 7.726 7.726 8.110 -0.384 18429 1742 1 4 . 1 1 16 16 LEU N N 16 118.601 118.601 119.638 -1.037 18429 1743 1 4 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.908 -0.055 18429 1744 1 4 . 1 1 16 16 LEU C C 16 179.729 179.729 179.075 0.654 18429 1745 1 4 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.008 -0.166 18429 1746 1 4 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.599 0.038 18429 1747 1 4 . 1 1 16 16 LEU H H 16 8.372 8.372 8.117 0.255 18429 1748 1 4 . 1 1 17 17 ASP N N 17 120.008 120.008 119.724 0.284 18429 1749 1 4 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.498 -0.162 18429 1750 1 4 . 1 1 17 17 ASP C C 17 178.148 178.148 178.984 -0.836 18429 1751 1 4 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.036 0.253 18429 1752 1 4 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.304 -0.036 18429 1753 1 4 . 1 1 17 17 ASP H H 17 8.192 8.192 8.369 -0.177 18429 1754 1 4 . 1 1 18 18 GLU N N 18 119.362 119.362 119.612 -0.250 18429 1755 1 4 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.266 -0.115 18429 1756 1 4 . 1 1 18 18 GLU C C 18 179.653 179.653 178.769 0.884 18429 1757 1 4 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.238 1.017 18429 1758 1 4 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.584 -0.384 18429 1759 1 4 . 1 1 18 18 GLU H H 18 7.860 7.860 7.694 0.166 18429 1760 1 4 . 1 1 19 19 VAL N N 19 118.483 118.483 118.433 0.050 18429 1761 1 4 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.899 -0.073 18429 1762 1 4 . 1 1 19 19 VAL C C 19 177.496 177.496 177.256 0.240 18429 1763 1 4 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.666 -0.769 18429 1764 1 4 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.016 -0.207 18429 1765 1 4 . 1 1 19 19 VAL H H 19 8.416 8.416 8.082 0.334 18429 1766 1 4 . 1 1 20 20 THR N N 20 112.904 112.904 112.064 0.840 18429 1767 1 4 . 1 1 20 20 THR HA H 20 3.856 3.856 4.162 -0.306 18429 1768 1 4 . 1 1 20 20 THR C C 20 175.894 175.894 176.377 -0.483 18429 1769 1 4 . 1 1 20 20 THR CA C 20 65.696 65.696 65.118 0.578 18429 1770 1 4 . 1 1 20 20 THR CB C 20 68.587 68.587 68.970 -0.383 18429 1771 1 4 . 1 1 20 20 THR H H 20 7.985 7.985 7.914 0.071 18429 1772 1 4 . 1 1 21 21 ASP N N 21 120.510 120.510 121.125 -0.615 18429 1773 1 4 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.666 -0.223 18429 1774 1 4 . 1 1 21 21 ASP C C 21 177.358 177.358 177.297 0.061 18429 1775 1 4 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.101 0.267 18429 1776 1 4 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.736 0.137 18429 1777 1 4 . 1 1 21 21 ASP H H 21 7.935 7.935 7.820 0.115 18429 1778 1 4 . 1 1 22 22 GLY N N 22 106.730 106.730 107.590 -0.860 18429 1779 1 4 . 1 1 22 22 GLY C C 22 174.004 174.004 173.729 0.275 18429 1780 1 4 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.379 0.448 18429 1781 1 4 . 1 1 22 22 GLY H H 22 7.939 7.939 7.687 0.252 18429 1782 1 4 . 1 1 23 23 ALA N N 23 124.286 124.286 123.206 1.080 18429 1783 1 4 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.830 -0.322 18429 1784 1 4 . 1 1 23 23 ALA C C 23 174.921 174.921 175.621 -0.700 18429 1785 1 4 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.307 1.044 18429 1786 1 4 . 1 1 23 23 ALA CB C 23 17.504 17.504 19.676 -2.172 18429 1787 1 4 . 1 1 23 23 ALA H H 23 7.531 7.531 7.266 0.265 18429 1788 1 4 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.520 0.043 18429 1789 1 4 . 1 1 24 24 PRO C C 24 177.571 177.571 176.898 0.673 18429 1790 1 4 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.322 0.168 18429 1791 1 4 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.449 -0.351 18429 1792 1 4 . 1 1 25 25 ASP N N 25 122.828 122.828 121.399 1.429 18429 1793 1 4 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.224 0.031 18429 1794 1 4 . 1 1 25 25 ASP C C 25 178.298 178.298 178.590 -0.292 18429 1795 1 4 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.859 0.204 18429 1796 1 4 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.646 -0.129 18429 1797 1 4 . 1 1 25 25 ASP H H 25 8.779 8.779 8.660 0.119 18429 1798 1 4 . 1 1 26 26 GLU N N 26 117.055 117.055 118.877 -1.822 18429 1799 1 4 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.039 0.096 18429 1800 1 4 . 1 1 26 26 GLU C C 26 177.454 177.454 178.768 -1.314 18429 1801 1 4 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.730 0.494 18429 1802 1 4 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.420 -0.866 18429 1803 1 4 . 1 1 26 26 GLU H H 26 9.324 9.324 8.606 0.718 18429 1804 1 4 . 1 1 27 27 ALA N N 27 120.789 120.789 121.756 -0.967 18429 1805 1 4 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.023 0.388 18429 1806 1 4 . 1 1 27 27 ALA C C 27 178.065 178.065 178.853 -0.788 18429 1807 1 4 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.032 -1.153 18429 1808 1 4 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.234 1.662 18429 1809 1 4 . 1 1 27 27 ALA H H 27 7.474 7.474 8.240 -0.766 18429 1810 1 4 . 1 1 28 28 ARG N N 28 118.872 118.872 119.289 -0.417 18429 1811 1 4 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.992 -0.317 18429 1812 1 4 . 1 1 28 28 ARG C C 28 177.550 177.550 177.875 -0.325 18429 1813 1 4 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.433 1.169 18429 1814 1 4 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.234 -0.690 18429 1815 1 4 . 1 1 28 28 ARG H H 28 7.803 7.803 7.927 -0.124 18429 1816 1 4 . 1 1 29 29 GLU N N 29 117.512 117.512 118.686 -1.174 18429 1817 1 4 . 1 1 29 29 GLU HA H 29 4.042 4.042 3.995 0.047 18429 1818 1 4 . 1 1 29 29 GLU C C 29 179.122 179.122 179.179 -0.057 18429 1819 1 4 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.469 0.138 18429 1820 1 4 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.967 0.274 18429 1821 1 4 . 1 1 29 29 GLU H H 29 8.490 8.490 7.788 0.702 18429 1822 1 4 . 1 1 30 30 ARG N N 30 119.240 119.240 118.464 0.776 18429 1823 1 4 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.094 0.040 18429 1824 1 4 . 1 1 30 30 ARG C C 30 179.248 179.248 178.808 0.440 18429 1825 1 4 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.639 0.189 18429 1826 1 4 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.633 0.232 18429 1827 1 4 . 1 1 30 30 ARG H H 30 7.789 7.789 7.733 0.056 18429 1828 1 4 . 1 1 31 31 ILE N N 31 120.920 120.920 120.156 0.764 18429 1829 1 4 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.926 -0.188 18429 1830 1 4 . 1 1 31 31 ILE C C 31 177.089 177.089 178.545 -1.456 18429 1831 1 4 . 1 1 31 31 ILE CA C 31 63.818 63.818 64.739 -0.921 18429 1832 1 4 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.662 -0.577 18429 1833 1 4 . 1 1 31 31 ILE H H 31 8.256 8.256 7.591 0.665 18429 1834 1 4 . 1 1 32 32 GLU N N 32 120.281 120.281 119.618 0.663 18429 1835 1 4 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.996 -0.060 18429 1836 1 4 . 1 1 32 32 GLU C C 32 179.429 179.429 179.168 0.261 18429 1837 1 4 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.580 -0.021 18429 1838 1 4 . 1 1 32 32 GLU CB C 32 29.403 29.403 28.951 0.452 18429 1839 1 4 . 1 1 32 32 GLU H H 32 8.697 8.697 8.442 0.255 18429 1840 1 4 . 1 1 33 33 LYS N N 33 119.737 119.737 119.389 0.348 18429 1841 1 4 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.137 -0.079 18429 1842 1 4 . 1 1 33 33 LYS C C 33 178.159 178.159 178.903 -0.744 18429 1843 1 4 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.147 0.265 18429 1844 1 4 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.631 -0.581 18429 1845 1 4 . 1 1 33 33 LYS H H 33 7.764 7.764 7.404 0.360 18429 1846 1 4 . 1 1 34 34 LEU N N 34 120.133 120.133 120.586 -0.453 18429 1847 1 4 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.527 -0.295 18429 1848 1 4 . 1 1 34 34 LEU C C 34 178.629 178.629 178.669 -0.040 18429 1849 1 4 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.535 -0.028 18429 1850 1 4 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.947 -0.150 18429 1851 1 4 . 1 1 34 34 LEU H H 34 7.790 7.790 8.161 -0.371 18429 1852 1 4 . 1 1 35 35 ALA N N 35 119.492 119.492 120.206 -0.714 18429 1853 1 4 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.914 -0.146 18429 1854 1 4 . 1 1 35 35 ALA C C 35 179.297 179.297 179.363 -0.066 18429 1855 1 4 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.212 -0.189 18429 1856 1 4 . 1 1 35 35 ALA CB C 35 18.191 18.191 17.978 0.213 18429 1857 1 4 . 1 1 35 35 ALA H H 35 8.634 8.634 8.193 0.441 18429 1858 1 4 . 1 1 36 36 LYS N N 36 118.470 118.470 119.148 -0.678 18429 1859 1 4 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.973 -0.042 18429 1860 1 4 . 1 1 36 36 LYS C C 36 178.223 178.223 178.413 -0.190 18429 1861 1 4 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.645 -0.451 18429 1862 1 4 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.263 -0.208 18429 1863 1 4 . 1 1 36 36 LYS H H 36 7.704 7.704 7.723 -0.019 18429 1864 1 4 . 1 1 37 37 ASP N N 37 120.075 120.075 119.550 0.525 18429 1865 1 4 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.586 -0.183 18429 1866 1 4 . 1 1 37 37 ASP C C 37 179.334 179.334 179.014 0.320 18429 1867 1 4 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.102 0.079 18429 1868 1 4 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.387 -0.410 18429 1869 1 4 . 1 1 37 37 ASP H H 37 8.203 8.203 7.782 0.421 18429 1870 1 4 . 1 1 38 38 VAL N N 38 118.202 118.202 119.921 -1.719 18429 1871 1 4 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.648 -0.025 18429 1872 1 4 . 1 1 38 38 VAL C C 38 177.017 177.017 177.816 -0.799 18429 1873 1 4 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.292 -0.624 18429 1874 1 4 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.051 0.186 18429 1875 1 4 . 1 1 38 38 VAL H H 38 8.215 8.215 8.143 0.072 18429 1876 1 4 . 1 1 39 39 LYS N N 39 119.236 119.236 119.709 -0.473 18429 1877 1 4 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.951 -0.141 18429 1878 1 4 . 1 1 39 39 LYS C C 39 178.575 178.575 179.149 -0.574 18429 1879 1 4 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.702 0.011 18429 1880 1 4 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.938 0.153 18429 1881 1 4 . 1 1 39 39 LYS H H 39 7.780 7.780 7.541 0.239 18429 1882 1 4 . 1 1 40 40 ASP N N 40 118.227 118.227 120.221 -1.994 18429 1883 1 4 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.391 0.061 18429 1884 1 4 . 1 1 40 40 ASP C C 40 178.137 178.137 178.616 -0.479 18429 1885 1 4 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.794 -1.371 18429 1886 1 4 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.659 -0.249 18429 1887 1 4 . 1 1 40 40 ASP H H 40 8.273 8.273 8.129 0.144 18429 1888 1 4 . 1 1 41 41 GLU N N 41 119.896 119.896 119.236 0.660 18429 1889 1 4 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.151 0.080 18429 1890 1 4 . 1 1 41 41 GLU C C 41 177.849 177.849 179.087 -1.238 18429 1891 1 4 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.172 -0.787 18429 1892 1 4 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.659 0.072 18429 1893 1 4 . 1 1 41 41 GLU H H 41 7.875 7.875 7.578 0.297 18429 1894 1 4 . 1 1 42 42 LEU N N 42 119.906 119.906 120.309 -0.403 18429 1895 1 4 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.063 0.061 18429 1896 1 4 . 1 1 42 42 LEU C C 42 178.276 178.276 179.147 -0.871 18429 1897 1 4 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.894 -1.181 18429 1898 1 4 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.848 0.300 18429 1899 1 4 . 1 1 42 42 LEU H H 42 7.952 7.952 8.099 -0.147 18429 1900 1 4 . 1 1 43 43 GLU N N 43 117.735 117.735 119.291 -1.556 18429 1901 1 4 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.028 0.107 18429 1902 1 4 . 1 1 43 43 GLU C C 43 177.582 177.582 178.380 -0.798 18429 1903 1 4 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.825 -0.021 18429 1904 1 4 . 1 1 43 43 GLU CB C 43 29.571 29.571 29.376 0.195 18429 1905 1 4 . 1 1 43 43 GLU H H 43 8.020 8.020 7.667 0.353 18429 1906 1 4 . 1 1 44 44 GLU N N 44 116.308 116.308 116.217 0.091 18429 1907 1 4 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.288 0.128 18429 1908 1 4 . 1 1 44 44 GLU C C 44 177.133 177.133 177.400 -0.267 18429 1909 1 4 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.334 0.114 18429 1910 1 4 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.522 0.592 18429 1911 1 4 . 1 1 44 44 GLU H H 44 8.128 8.128 7.902 0.226 18429 1912 1 4 . 1 1 45 45 GLY N N 45 109.450 109.450 108.470 0.980 18429 1913 1 4 . 1 1 45 45 GLY C C 45 173.685 173.685 173.212 0.473 18429 1914 1 4 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.723 0.651 18429 1915 1 4 . 1 1 45 45 GLY H H 45 8.156 8.156 8.009 0.147 18429 1916 1 4 . 1 1 46 46 ASP N N 46 120.995 120.995 124.416 -3.421 18429 1917 1 4 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.586 0.102 18429 1918 1 4 . 1 1 46 46 ASP C C 46 176.375 176.375 175.704 0.671 18429 1919 1 4 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.865 -0.240 18429 1920 1 4 . 1 1 46 46 ASP CB C 46 41.207 41.207 39.788 1.419 18429 1921 1 4 . 1 1 46 46 ASP H H 46 8.467 8.467 8.207 0.260 18429 1922 1 4 . 1 1 47 47 ALA N N 47 124.626 124.626 126.652 -2.026 18429 1923 1 4 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.421 -0.298 18429 1924 1 4 . 1 1 47 47 ALA C C 47 178.084 178.084 177.404 0.680 18429 1925 1 4 . 1 1 47 47 ALA CA C 47 53.941 53.941 51.067 2.874 18429 1926 1 4 . 1 1 47 47 ALA CB C 47 18.984 18.984 20.266 -1.282 18429 1927 1 4 . 1 1 47 47 ALA H H 47 8.483 8.483 8.479 0.004 18429 1928 1 4 . 1 1 48 48 LYS N N 48 118.214 118.214 121.192 -2.978 18429 1929 1 4 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.951 -0.150 18429 1930 1 4 . 1 1 48 48 LYS C C 48 177.582 177.582 178.009 -0.427 18429 1931 1 4 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.590 0.522 18429 1932 1 4 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.359 -0.199 18429 1933 1 4 . 1 1 48 48 LYS H H 48 8.349 8.349 8.203 0.146 18429 1934 1 4 . 1 1 49 49 ASN N N 49 116.387 116.387 116.473 -0.086 18429 1935 1 4 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.752 -0.244 18429 1936 1 4 . 1 1 49 49 ASN C C 49 177.753 177.753 177.610 0.143 18429 1937 1 4 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.995 -0.014 18429 1938 1 4 . 1 1 49 49 ASN CB C 49 38.365 38.365 37.860 0.505 18429 1939 1 4 . 1 1 49 49 ASN H H 49 8.184 8.184 8.633 -0.449 18429 1940 1 4 . 1 1 50 50 MET N N 50 118.627 118.627 117.461 1.166 18429 1941 1 4 . 1 1 50 50 MET HA H 50 4.335 4.335 4.287 0.048 18429 1942 1 4 . 1 1 50 50 MET C C 50 178.683 178.683 178.334 0.349 18429 1943 1 4 . 1 1 50 50 MET CA C 50 57.203 57.203 57.689 -0.486 18429 1944 1 4 . 1 1 50 50 MET CB C 50 32.289 32.289 31.455 0.834 18429 1945 1 4 . 1 1 50 50 MET H H 50 8.189 8.189 8.032 0.157 18429 1946 1 4 . 1 1 51 51 ILE N N 51 120.778 120.778 119.880 0.898 18429 1947 1 4 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.701 -0.008 18429 1948 1 4 . 1 1 51 51 ILE C C 51 177.667 177.667 177.998 -0.331 18429 1949 1 4 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.310 0.054 18429 1950 1 4 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.276 0.008 18429 1951 1 4 . 1 1 51 51 ILE H H 51 8.475 8.475 7.720 0.755 18429 1952 1 4 . 1 1 52 52 GLU N N 52 120.715 120.715 120.106 0.609 18429 1953 1 4 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.043 -0.204 18429 1954 1 4 . 1 1 52 52 GLU C C 52 178.201 178.201 179.074 -0.873 18429 1955 1 4 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.797 0.330 18429 1956 1 4 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.563 -0.317 18429 1957 1 4 . 1 1 52 52 GLU H H 52 8.372 8.372 7.842 0.530 18429 1958 1 4 . 1 1 53 53 LYS N N 53 118.426 118.426 118.477 -0.051 18429 1959 1 4 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.200 -0.070 18429 1960 1 4 . 1 1 53 53 LYS C C 53 179.163 179.163 178.518 0.645 18429 1961 1 4 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.423 0.664 18429 1962 1 4 . 1 1 53 53 LYS CB C 53 32.150 32.150 31.855 0.295 18429 1963 1 4 . 1 1 53 53 LYS H H 53 7.766 7.766 8.252 -0.486 18429 1964 1 4 . 1 1 54 54 PHE N N 54 120.522 120.522 122.544 -2.022 18429 1965 1 4 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.173 -0.071 18429 1966 1 4 . 1 1 54 54 PHE C C 54 176.920 176.920 176.921 -0.001 18429 1967 1 4 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.421 0.116 18429 1968 1 4 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.605 -0.193 18429 1969 1 4 . 1 1 54 54 PHE H H 54 7.990 7.990 8.120 -0.130 18429 1970 1 4 . 1 1 55 55 ARG N N 55 120.870 120.870 119.884 0.986 18429 1971 1 4 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.883 -0.057 18429 1972 1 4 . 1 1 55 55 ARG C C 55 178.383 178.383 177.992 0.391 18429 1973 1 4 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.969 -0.009 18429 1974 1 4 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.841 2.274 18429 1975 1 4 . 1 1 55 55 ARG H H 55 8.774 8.774 8.042 0.732 18429 1976 1 4 . 1 1 56 56 ASP N N 56 119.776 119.776 118.407 1.369 18429 1977 1 4 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.350 -0.023 18429 1978 1 4 . 1 1 56 56 ASP C C 56 179.398 179.398 178.162 1.236 18429 1979 1 4 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.510 0.046 18429 1980 1 4 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.667 -0.850 18429 1981 1 4 . 1 1 56 56 ASP H H 56 8.491 8.491 7.726 0.765 18429 1982 1 4 . 1 1 57 57 GLU N N 57 120.418 120.418 119.364 1.054 18429 1983 1 4 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.987 0.066 18429 1984 1 4 . 1 1 57 57 GLU C C 57 179.708 179.708 178.670 1.038 18429 1985 1 4 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.748 0.146 18429 1986 1 4 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.372 0.004 18429 1987 1 4 . 1 1 57 57 GLU H H 57 7.894 7.894 7.479 0.415 18429 1988 1 4 . 1 1 58 58 MET N N 58 119.674 119.674 119.819 -0.145 18429 1989 1 4 . 1 1 58 58 MET HA H 58 4.090 4.090 3.999 0.091 18429 1990 1 4 . 1 1 58 58 MET C C 58 178.137 178.137 177.920 0.217 18429 1991 1 4 . 1 1 58 58 MET CA C 58 58.568 58.568 57.518 1.050 18429 1992 1 4 . 1 1 58 58 MET CB C 58 31.846 31.846 32.183 -0.337 18429 1993 1 4 . 1 1 58 58 MET H H 58 8.352 8.352 7.981 0.371 18429 1994 1 4 . 1 1 59 59 GLU N N 59 119.770 119.770 119.087 0.683 18429 1995 1 4 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.025 -0.075 18429 1996 1 4 . 1 1 59 59 GLU C C 59 178.939 178.939 179.048 -0.109 18429 1997 1 4 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.715 0.028 18429 1998 1 4 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.512 -0.335 18429 1999 1 4 . 1 1 59 59 GLU H H 59 8.717 8.717 8.167 0.550 18429 2000 1 4 . 1 1 60 60 GLN N N 60 117.895 117.895 117.944 -0.049 18429 2001 1 4 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.067 -0.096 18429 2002 1 4 . 1 1 60 60 GLN C C 60 178.052 178.052 178.861 -0.809 18429 2003 1 4 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.336 -0.081 18429 2004 1 4 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.299 -0.181 18429 2005 1 4 . 1 1 60 60 GLN H H 60 7.613 7.613 7.633 -0.020 18429 2006 1 4 . 1 1 61 61 MET N N 61 118.464 118.464 118.655 -0.191 18429 2007 1 4 . 1 1 61 61 MET HA H 61 4.080 4.080 4.166 -0.086 18429 2008 1 4 . 1 1 61 61 MET C C 61 178.545 178.545 178.503 0.042 18429 2009 1 4 . 1 1 61 61 MET CA C 61 58.972 58.972 59.064 -0.092 18429 2010 1 4 . 1 1 61 61 MET CB C 61 32.309 32.309 32.784 -0.475 18429 2011 1 4 . 1 1 61 61 MET H H 61 7.943 7.943 7.747 0.196 18429 2012 1 4 . 1 1 62 62 TYR N N 62 119.118 119.118 121.527 -2.409 18429 2013 1 4 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.314 -0.154 18429 2014 1 4 . 1 1 62 62 TYR C C 62 176.118 176.118 176.773 -0.655 18429 2015 1 4 . 1 1 62 62 TYR CA C 62 60.251 60.251 61.005 -0.754 18429 2016 1 4 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.454 -0.065 18429 2017 1 4 . 1 1 62 62 TYR H H 62 8.313 8.313 8.144 0.169 18429 2018 1 4 . 1 1 63 63 LYS N N 63 117.899 117.899 118.184 -0.285 18429 2019 1 4 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.771 0.025 18429 2020 1 4 . 1 1 63 63 LYS C C 63 178.470 178.470 177.860 0.610 18429 2021 1 4 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.371 0.431 18429 2022 1 4 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.235 -0.217 18429 2023 1 4 . 1 1 63 63 LYS H H 63 7.806 7.806 7.743 0.063 18429 2024 1 4 . 1 1 64 64 ASP N N 64 116.931 116.931 118.905 -1.974 18429 2025 1 4 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.480 0.005 18429 2026 1 4 . 1 1 64 64 ASP C C 64 176.460 176.460 175.897 0.563 18429 2027 1 4 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.202 0.438 18429 2028 1 4 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.736 -0.540 18429 2029 1 4 . 1 1 64 64 ASP H H 64 7.771 7.771 7.874 -0.103 18429 2030 1 4 . 1 1 65 65 ALA N N 65 121.417 121.417 121.464 -0.047 18429 2031 1 4 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.695 -0.103 18429 2032 1 4 . 1 1 65 65 ALA C C 65 180.460 180.460 174.632 5.828 18429 2033 1 4 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.511 0.712 18429 2034 1 4 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.622 -1.347 18429 2035 1 4 . 1 1 65 65 ALA H H 65 7.536 7.536 7.517 0.019 18429 2036 1 4 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.264 -0.292 18429 2037 1 4 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.384 1.675 18429 2038 1 4 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.516 0.861 18429 2039 1 4 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.573 -0.123 18429 2040 1 4 . 1 1 67 67 ASN CA C 67 56.342 56.342 54.372 1.970 18429 2041 1 4 . 1 1 67 67 ASN CB C 67 40.583 40.583 39.110 1.473 18429 2042 1 4 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.432 -0.145 18429 2043 1 4 . 1 1 68 68 ALA C C 68 180.039 180.039 178.053 1.986 18429 2044 1 4 . 1 1 68 68 ALA CA C 68 54.958 54.958 52.446 2.512 18429 2045 1 4 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.728 0.109 18429 2046 1 4 . 1 1 69 69 VAL N N 69 119.699 119.699 121.485 -1.786 18429 2047 1 4 . 1 1 69 69 VAL HA H 69 3.809 3.809 4.055 -0.246 18429 2048 1 4 . 1 1 69 69 VAL C C 69 178.578 178.578 178.220 0.358 18429 2049 1 4 . 1 1 69 69 VAL CA C 69 65.910 65.910 64.559 1.351 18429 2050 1 4 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.571 -0.250 18429 2051 1 4 . 1 1 69 69 VAL H H 69 7.968 7.968 8.442 -0.474 18429 2052 1 4 . 1 1 70 70 MET N N 70 119.158 119.158 119.483 -0.325 18429 2053 1 4 . 1 1 70 70 MET HA H 70 4.411 4.411 4.007 0.404 18429 2054 1 4 . 1 1 70 70 MET C C 70 177.858 177.858 177.462 0.396 18429 2055 1 4 . 1 1 70 70 MET CA C 70 56.540 56.540 58.776 -2.236 18429 2056 1 4 . 1 1 70 70 MET CB C 70 31.927 31.927 32.147 -0.220 18429 2057 1 4 . 1 1 70 70 MET H H 70 8.195 8.195 8.317 -0.122 18429 2058 1 4 . 1 1 71 71 GLU N N 71 119.109 119.109 118.966 0.143 18429 2059 1 4 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.267 0.255 18429 2060 1 4 . 1 1 71 71 GLU C C 71 178.949 178.949 178.515 0.434 18429 2061 1 4 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.555 0.246 18429 2062 1 4 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.010 0.677 18429 2063 1 4 . 1 1 71 71 GLU H H 71 8.122 8.122 7.728 0.394 18429 2064 1 4 . 1 1 72 72 GLN N N 72 118.471 118.471 117.708 0.763 18429 2065 1 4 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.028 0.094 18429 2066 1 4 . 1 1 72 72 GLN C C 72 178.597 178.597 178.649 -0.052 18429 2067 1 4 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.451 0.064 18429 2068 1 4 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.572 -0.461 18429 2069 1 4 . 1 1 72 72 GLN H H 72 7.662 7.662 7.484 0.178 18429 2070 1 4 . 1 1 73 73 LEU N N 73 120.880 120.880 120.344 0.536 18429 2071 1 4 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.081 -0.037 18429 2072 1 4 . 1 1 73 73 LEU C C 73 178.992 178.992 179.097 -0.105 18429 2073 1 4 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.529 0.518 18429 2074 1 4 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.640 -0.263 18429 2075 1 4 . 1 1 73 73 LEU H H 73 8.170 8.170 7.657 0.513 18429 2076 1 4 . 1 1 74 74 LEU N N 74 119.628 119.628 119.368 0.260 18429 2077 1 4 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.850 0.102 18429 2078 1 4 . 1 1 74 74 LEU C C 74 179.088 179.088 179.032 0.056 18429 2079 1 4 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.570 -0.796 18429 2080 1 4 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.131 -0.064 18429 2081 1 4 . 1 1 74 74 LEU H H 74 8.396 8.396 7.614 0.782 18429 2082 1 4 . 1 1 75 75 GLU N N 75 119.588 119.588 119.253 0.335 18429 2083 1 4 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.908 0.137 18429 2084 1 4 . 1 1 75 75 GLU C C 75 179.772 179.772 178.942 0.830 18429 2085 1 4 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.687 -0.426 18429 2086 1 4 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.434 -0.567 18429 2087 1 4 . 1 1 75 75 GLU H H 75 7.622 7.622 7.723 -0.101 18429 2088 1 4 . 1 1 76 76 GLU N N 76 118.750 118.750 119.328 -0.578 18429 2089 1 4 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.045 0.044 18429 2090 1 4 . 1 1 76 76 GLU C C 76 180.103 180.103 179.301 0.802 18429 2091 1 4 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.199 -0.090 18429 2092 1 4 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.585 -0.220 18429 2093 1 4 . 1 1 76 76 GLU H H 76 8.127 8.127 7.808 0.319 18429 2094 1 4 . 1 1 77 77 ILE N N 77 121.044 121.044 119.966 1.078 18429 2095 1 4 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.649 0.175 18429 2096 1 4 . 1 1 77 77 ILE C C 77 177.219 177.219 177.969 -0.750 18429 2097 1 4 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.362 -0.816 18429 2098 1 4 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.776 -0.629 18429 2099 1 4 . 1 1 77 77 ILE H H 77 8.715 8.715 7.933 0.782 18429 2100 1 4 . 1 1 78 78 GLU N N 78 121.847 121.847 120.376 1.471 18429 2101 1 4 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.989 0.053 18429 2102 1 4 . 1 1 78 78 GLU C C 78 179.644 179.644 178.986 0.658 18429 2103 1 4 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.924 -0.438 18429 2104 1 4 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.495 -0.510 18429 2105 1 4 . 1 1 78 78 GLU H H 78 8.161 8.161 7.799 0.362 18429 2106 1 4 . 1 1 79 79 LYS N N 79 118.842 118.842 119.393 -0.551 18429 2107 1 4 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.083 -0.121 18429 2108 1 4 . 1 1 79 79 LYS C C 79 179.729 179.729 179.510 0.219 18429 2109 1 4 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.735 1.006 18429 2110 1 4 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.045 0.385 18429 2111 1 4 . 1 1 79 79 LYS H H 79 7.756 7.756 7.937 -0.181 18429 2112 1 4 . 1 1 80 80 LEU N N 80 120.440 120.440 119.783 0.657 18429 2113 1 4 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.219 -0.166 18429 2114 1 4 . 1 1 80 80 LEU C C 80 178.939 178.939 179.248 -0.309 18429 2115 1 4 . 1 1 80 80 LEU CA C 80 57.955 57.955 56.802 1.153 18429 2116 1 4 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.030 0.646 18429 2117 1 4 . 1 1 80 80 LEU H H 80 7.805 7.805 8.022 -0.217 18429 2118 1 4 . 1 1 81 81 LEU N N 81 119.519 119.519 120.940 -1.421 18429 2119 1 4 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.980 -0.025 18429 2120 1 4 . 1 1 81 81 LEU C C 81 179.366 179.366 178.759 0.607 18429 2121 1 4 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.753 0.023 18429 2122 1 4 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.911 -0.294 18429 2123 1 4 . 1 1 81 81 LEU H H 81 8.423 8.423 8.122 0.301 18429 2124 1 4 . 1 1 82 82 LYS N N 82 119.070 119.070 118.045 1.025 18429 2125 1 4 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.052 0.079 18429 2126 1 4 . 1 1 82 82 LYS C C 82 179.237 179.237 178.719 0.518 18429 2127 1 4 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.875 -0.003 18429 2128 1 4 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.407 -0.195 18429 2129 1 4 . 1 1 82 82 LYS H H 82 7.804 7.804 7.828 -0.024 18429 2130 1 4 . 1 1 83 83 LYS N N 83 119.647 119.647 118.527 1.120 18429 2131 1 4 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.087 0.154 18429 2132 1 4 . 1 1 83 83 LYS C C 83 178.234 178.234 177.435 0.799 18429 2133 1 4 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.310 -0.982 18429 2134 1 4 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.462 -0.273 18429 2135 1 4 . 1 1 83 83 LYS H H 83 7.737 7.737 7.858 -0.121 18429 2136 1 4 . 1 1 84 84 ALA N N 84 122.121 122.121 119.883 2.238 18429 2137 1 4 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.321 -0.251 18429 2138 1 4 . 1 1 84 84 ALA C C 84 179.003 179.003 177.682 1.321 18429 2139 1 4 . 1 1 84 84 ALA CA C 84 53.922 53.922 51.779 2.143 18429 2140 1 4 . 1 1 84 84 ALA CB C 84 18.175 18.175 18.918 -0.743 18429 2141 1 4 . 1 1 84 84 ALA H H 84 8.259 8.259 7.600 0.659 18429 2142 1 4 . 1 1 85 85 GLY N N 85 105.518 105.518 107.943 -2.425 18429 2143 1 4 . 1 1 85 85 GLY C C 85 174.759 174.759 173.899 0.860 18429 2144 1 4 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.913 0.823 18429 2145 1 4 . 1 1 85 85 GLY H H 85 8.191 8.191 7.611 0.580 18429 2146 1 4 . 1 1 86 86 SER N N 86 114.680 114.680 121.699 -7.019 18429 2147 1 4 . 1 1 86 86 SER HA H 86 4.512 4.512 4.468 0.044 18429 2148 1 4 . 1 1 86 86 SER C C 86 174.452 174.452 175.115 -0.663 18429 2149 1 4 . 1 1 86 86 SER CA C 86 58.641 58.641 59.046 -0.405 18429 2150 1 4 . 1 1 86 86 SER CB C 86 63.751 63.751 63.763 -0.012 18429 2151 1 4 . 1 1 86 86 SER H H 86 7.884 7.884 7.938 -0.054 18429 2152 1 4 . 1 1 87 87 LEU N N 87 122.300 122.300 123.228 -0.928 18429 2153 1 4 . 1 1 87 87 LEU HA H 87 4.332 4.332 3.922 0.410 18429 2154 1 4 . 1 1 87 87 LEU C C 87 176.845 176.845 176.137 0.708 18429 2155 1 4 . 1 1 87 87 LEU CA C 87 54.992 54.992 57.118 -2.126 18429 2156 1 4 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.577 1.347 18429 2157 1 4 . 1 1 87 87 LEU H H 87 7.806 7.806 8.725 -0.919 18429 2158 1 4 . 1 1 88 88 VAL N N 88 120.869 120.869 117.277 3.592 18429 2159 1 4 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.249 0.138 18429 2160 1 4 . 1 1 88 88 VAL C C 88 174.367 174.367 174.977 -0.610 18429 2161 1 4 . 1 1 88 88 VAL CA C 88 59.756 59.756 61.156 -1.400 18429 2162 1 4 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.243 0.135 18429 2163 1 4 . 1 1 88 88 VAL H H 88 7.849 7.849 7.719 0.130 18429 2164 1 4 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.520 -0.108 18429 2165 1 4 . 1 1 89 89 PRO C C 89 176.898 176.898 175.703 1.195 18429 2166 1 4 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.793 -0.864 18429 2167 1 4 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.347 -0.421 18429 2168 1 4 . 1 1 90 90 ARG N N 90 121.893 121.893 117.577 4.316 18429 2169 1 4 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.343 -0.052 18429 2170 1 4 . 1 1 90 90 ARG C C 90 177.081 177.081 174.674 2.407 18429 2171 1 4 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.594 -0.269 18429 2172 1 4 . 1 1 90 90 ARG CB C 90 30.554 30.554 31.874 -1.320 18429 2173 1 4 . 1 1 90 90 ARG H H 90 8.528 8.528 7.772 0.756 18429 2174 1 4 . 1 1 91 91 GLY N N 91 109.932 109.932 108.747 1.185 18429 2175 1 4 . 1 1 91 91 GLY C C 91 174.324 174.324 172.810 1.514 18429 2176 1 4 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.687 0.606 18429 2177 1 4 . 1 1 91 91 GLY H H 91 8.551 8.551 8.103 0.448 18429 2178 1 4 . 1 1 92 92 SER N N 92 115.612 115.612 118.919 -3.307 18429 2179 1 4 . 1 1 92 92 SER HA H 92 4.407 4.407 4.590 -0.183 18429 2180 1 4 . 1 1 92 92 SER C C 92 174.463 174.463 174.877 -0.414 18429 2181 1 4 . 1 1 92 92 SER CA C 92 58.310 58.310 56.849 1.461 18429 2182 1 4 . 1 1 92 92 SER CB C 92 63.616 63.616 64.562 -0.946 18429 2183 1 4 . 1 1 92 92 SER H H 92 8.183 8.183 8.015 0.168 18429 2184 1 4 . 1 1 93 93 TYR N N 93 122.140 122.140 124.010 -1.870 18429 2185 1 4 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.287 0.219 18429 2186 1 4 . 1 1 93 93 TYR C C 93 175.659 175.659 176.089 -0.430 18429 2187 1 4 . 1 1 93 93 TYR CA C 93 58.105 58.105 59.669 -1.563 18429 2188 1 4 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.863 -0.572 18429 2189 1 4 . 1 1 93 93 TYR H H 93 8.206 8.206 8.627 -0.421 18429 2190 1 4 . 1 1 94 94 LEU N N 94 123.025 123.025 120.207 2.818 18429 2191 1 4 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.168 0.031 18429 2192 1 4 . 1 1 94 94 LEU C C 94 177.037 177.037 176.395 0.642 18429 2193 1 4 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.946 -0.001 18429 2194 1 4 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.792 0.374 18429 2195 1 4 . 1 1 94 94 LEU H H 94 8.007 8.007 7.576 0.431 18429 2196 1 4 . 1 1 95 95 GLU N N 95 120.848 120.848 122.863 -2.015 18429 2197 1 4 . 1 1 95 95 GLU HA H 95 4.116 4.116 3.822 0.294 18429 2198 1 4 . 1 1 95 95 GLU C C 95 176.268 176.268 174.833 1.435 18429 2199 1 4 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.960 -0.247 18429 2200 1 4 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.261 0.785 18429 2201 1 4 . 1 1 95 95 GLU H H 95 8.141 8.141 8.812 -0.671 18429 2202 1 4 . 1 1 96 96 HIS N N 96 119.288 119.288 123.077 -3.789 18429 2203 1 4 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.848 -0.278 18429 2204 1 4 . 1 1 96 96 HIS C C 96 174.100 174.100 174.705 -0.605 18429 2205 1 4 . 1 1 96 96 HIS CA C 96 55.839 55.839 54.363 1.476 18429 2206 1 4 . 1 1 96 96 HIS CB C 96 30.404 30.404 28.853 1.551 18429 2207 1 4 . 1 1 96 96 HIS H H 96 8.144 8.144 8.524 -0.380 18429 2208 1 4 . 1 1 97 97 HIS N N 97 125.622 125.622 119.485 6.137 18429 2209 1 4 . 1 1 97 97 HIS C C 97 179.480 179.480 174.742 4.738 18429 2210 1 4 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.943 1.504 18429 2211 1 4 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.687 1.067 18429 2212 1 4 . 1 1 97 97 HIS H H 97 8.017 8.017 7.802 0.215 18429 2213 1 5 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.289 0.027 18429 2214 1 5 . 1 1 2 2 GLN C C 2 177.028 177.028 177.145 -0.117 18429 2215 1 5 . 1 1 2 2 GLN CA C 2 56.800 56.800 55.913 0.887 18429 2216 1 5 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.552 -0.668 18429 2217 1 5 . 1 1 3 3 GLU N N 3 123.654 123.654 123.059 0.595 18429 2218 1 5 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.905 0.172 18429 2219 1 5 . 1 1 3 3 GLU C C 3 177.945 177.945 178.487 -0.542 18429 2220 1 5 . 1 1 3 3 GLU CA C 3 59.110 59.110 59.224 -0.114 18429 2221 1 5 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.644 -0.301 18429 2222 1 5 . 1 1 3 3 GLU H H 3 8.995 8.995 8.966 0.029 18429 2223 1 5 . 1 1 4 4 GLU N N 4 119.237 119.237 118.055 1.182 18429 2224 1 5 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.957 0.112 18429 2225 1 5 . 1 1 4 4 GLU C C 4 178.815 178.815 178.654 0.161 18429 2226 1 5 . 1 1 4 4 GLU CA C 4 59.152 59.152 59.041 0.111 18429 2227 1 5 . 1 1 4 4 GLU CB C 4 29.218 29.218 28.786 0.432 18429 2228 1 5 . 1 1 4 4 GLU H H 4 8.837 8.837 8.907 -0.070 18429 2229 1 5 . 1 1 5 5 ARG N N 5 120.052 120.052 120.176 -0.124 18429 2230 1 5 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.160 -0.209 18429 2231 1 5 . 1 1 5 5 ARG C C 5 177.324 177.324 178.623 -1.299 18429 2232 1 5 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.498 0.743 18429 2233 1 5 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.263 -0.282 18429 2234 1 5 . 1 1 5 5 ARG H H 5 7.884 7.884 7.588 0.296 18429 2235 1 5 . 1 1 6 6 LYS N N 6 119.327 119.327 119.910 -0.583 18429 2236 1 5 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.085 -0.105 18429 2237 1 5 . 1 1 6 6 LYS C C 6 178.939 178.939 178.709 0.230 18429 2238 1 5 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.578 0.754 18429 2239 1 5 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.914 0.240 18429 2240 1 5 . 1 1 6 6 LYS H H 6 7.998 7.998 7.667 0.331 18429 2241 1 5 . 1 1 7 7 LYS N N 7 117.908 117.908 119.444 -1.536 18429 2242 1 5 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.235 -0.139 18429 2243 1 5 . 1 1 7 7 LYS C C 7 179.332 179.332 179.244 0.088 18429 2244 1 5 . 1 1 7 7 LYS CA C 7 58.767 58.767 59.137 -0.370 18429 2245 1 5 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.150 0.147 18429 2246 1 5 . 1 1 7 7 LYS H H 7 7.917 7.917 8.106 -0.189 18429 2247 1 5 . 1 1 8 8 LEU N N 8 120.724 120.724 120.901 -0.177 18429 2248 1 5 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.040 0.009 18429 2249 1 5 . 1 1 8 8 LEU C C 8 178.490 178.490 178.126 0.364 18429 2250 1 5 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.869 -0.180 18429 2251 1 5 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.789 -0.184 18429 2252 1 5 . 1 1 8 8 LEU H H 8 7.686 7.686 7.449 0.237 18429 2253 1 5 . 1 1 9 9 LEU N N 9 118.886 118.886 117.574 1.312 18429 2254 1 5 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.920 0.018 18429 2255 1 5 . 1 1 9 9 LEU C C 9 178.981 178.981 178.959 0.022 18429 2256 1 5 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.825 0.133 18429 2257 1 5 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.571 -0.729 18429 2258 1 5 . 1 1 9 9 LEU H H 9 8.158 8.158 7.302 0.856 18429 2259 1 5 . 1 1 10 10 GLU N N 10 119.000 119.000 118.915 0.085 18429 2260 1 5 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.298 -0.246 18429 2261 1 5 . 1 1 10 10 GLU C C 10 179.601 179.601 178.769 0.832 18429 2262 1 5 . 1 1 10 10 GLU CA C 10 59.278 59.278 58.475 0.803 18429 2263 1 5 . 1 1 10 10 GLU CB C 10 29.286 29.286 28.740 0.546 18429 2264 1 5 . 1 1 10 10 GLU H H 10 8.069 8.069 8.347 -0.278 18429 2265 1 5 . 1 1 11 11 LYS N N 11 119.446 119.446 120.424 -0.978 18429 2266 1 5 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.030 0.053 18429 2267 1 5 . 1 1 11 11 LYS C C 11 178.971 178.971 178.561 0.410 18429 2268 1 5 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.208 -0.436 18429 2269 1 5 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.468 -0.472 18429 2270 1 5 . 1 1 11 11 LYS H H 11 7.676 7.676 7.679 -0.003 18429 2271 1 5 . 1 1 12 12 LEU N N 12 120.017 120.017 120.238 -0.221 18429 2272 1 5 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.951 -0.067 18429 2273 1 5 . 1 1 12 12 LEU C C 12 177.977 177.977 178.532 -0.555 18429 2274 1 5 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.205 -0.480 18429 2275 1 5 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.377 0.200 18429 2276 1 5 . 1 1 12 12 LEU H H 12 8.378 8.378 7.518 0.860 18429 2277 1 5 . 1 1 13 13 GLU N N 13 117.914 117.914 117.702 0.212 18429 2278 1 5 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.829 -0.133 18429 2279 1 5 . 1 1 13 13 GLU C C 13 177.934 177.934 179.013 -1.079 18429 2280 1 5 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.607 0.509 18429 2281 1 5 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.187 0.211 18429 2282 1 5 . 1 1 13 13 GLU H H 13 8.458 8.458 7.769 0.689 18429 2283 1 5 . 1 1 14 14 LYS N N 14 117.629 117.629 120.302 -2.673 18429 2284 1 5 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.109 0.026 18429 2285 1 5 . 1 1 14 14 LYS C C 14 179.227 179.227 178.933 0.294 18429 2286 1 5 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.959 -0.093 18429 2287 1 5 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.341 -0.214 18429 2288 1 5 . 1 1 14 14 LYS H H 14 7.365 7.365 7.790 -0.425 18429 2289 1 5 . 1 1 15 15 ILE N N 15 119.583 119.583 121.209 -1.626 18429 2290 1 5 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.915 -0.138 18429 2291 1 5 . 1 1 15 15 ILE C C 15 178.009 178.009 178.256 -0.247 18429 2292 1 5 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.030 -0.141 18429 2293 1 5 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.861 0.339 18429 2294 1 5 . 1 1 15 15 ILE H H 15 7.726 7.726 8.050 -0.324 18429 2295 1 5 . 1 1 16 16 LEU N N 16 118.601 118.601 119.350 -0.749 18429 2296 1 5 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.935 -0.082 18429 2297 1 5 . 1 1 16 16 LEU C C 16 179.729 179.729 178.880 0.849 18429 2298 1 5 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.453 -0.611 18429 2299 1 5 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.693 -0.056 18429 2300 1 5 . 1 1 16 16 LEU H H 16 8.372 8.372 7.752 0.620 18429 2301 1 5 . 1 1 17 17 ASP N N 17 120.008 120.008 119.743 0.265 18429 2302 1 5 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.406 -0.070 18429 2303 1 5 . 1 1 17 17 ASP C C 17 178.148 178.148 178.752 -0.604 18429 2304 1 5 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.376 -0.087 18429 2305 1 5 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.091 -0.823 18429 2306 1 5 . 1 1 17 17 ASP H H 17 8.192 8.192 7.888 0.304 18429 2307 1 5 . 1 1 18 18 GLU N N 18 119.362 119.362 119.884 -0.522 18429 2308 1 5 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.081 0.070 18429 2309 1 5 . 1 1 18 18 GLU C C 18 179.653 179.653 179.342 0.311 18429 2310 1 5 . 1 1 18 18 GLU CA C 18 59.255 59.255 59.112 0.143 18429 2311 1 5 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.849 -0.649 18429 2312 1 5 . 1 1 18 18 GLU H H 18 7.860 7.860 7.734 0.126 18429 2313 1 5 . 1 1 19 19 VAL N N 19 118.483 118.483 119.541 -1.058 18429 2314 1 5 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.759 0.067 18429 2315 1 5 . 1 1 19 19 VAL C C 19 177.496 177.496 177.500 -0.004 18429 2316 1 5 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.438 -1.541 18429 2317 1 5 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.164 -0.355 18429 2318 1 5 . 1 1 19 19 VAL H H 19 8.416 8.416 8.303 0.113 18429 2319 1 5 . 1 1 20 20 THR N N 20 112.904 112.904 110.750 2.154 18429 2320 1 5 . 1 1 20 20 THR HA H 20 3.856 3.856 4.008 -0.152 18429 2321 1 5 . 1 1 20 20 THR C C 20 175.894 175.894 176.276 -0.382 18429 2322 1 5 . 1 1 20 20 THR CA C 20 65.696 65.696 65.572 0.124 18429 2323 1 5 . 1 1 20 20 THR CB C 20 68.587 68.587 68.711 -0.124 18429 2324 1 5 . 1 1 20 20 THR H H 20 7.985 7.985 7.980 0.005 18429 2325 1 5 . 1 1 21 21 ASP N N 21 120.510 120.510 121.604 -1.094 18429 2326 1 5 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.473 -0.030 18429 2327 1 5 . 1 1 21 21 ASP C C 21 177.358 177.358 177.792 -0.434 18429 2328 1 5 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.282 0.086 18429 2329 1 5 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.857 0.016 18429 2330 1 5 . 1 1 21 21 ASP H H 21 7.935 7.935 7.756 0.179 18429 2331 1 5 . 1 1 22 22 GLY N N 22 106.730 106.730 107.405 -0.675 18429 2332 1 5 . 1 1 22 22 GLY C C 22 174.004 174.004 173.596 0.408 18429 2333 1 5 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.676 0.151 18429 2334 1 5 . 1 1 22 22 GLY H H 22 7.939 7.939 7.889 0.050 18429 2335 1 5 . 1 1 23 23 ALA N N 23 124.286 124.286 123.946 0.340 18429 2336 1 5 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.646 -0.138 18429 2337 1 5 . 1 1 23 23 ALA C C 23 174.921 174.921 175.569 -0.648 18429 2338 1 5 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.003 0.348 18429 2339 1 5 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.827 -1.323 18429 2340 1 5 . 1 1 23 23 ALA H H 23 7.531 7.531 7.053 0.478 18429 2341 1 5 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.480 0.083 18429 2342 1 5 . 1 1 24 24 PRO C C 24 177.571 177.571 176.563 1.008 18429 2343 1 5 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.544 -0.054 18429 2344 1 5 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.164 -0.066 18429 2345 1 5 . 1 1 25 25 ASP N N 25 122.828 122.828 123.053 -0.225 18429 2346 1 5 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.201 0.054 18429 2347 1 5 . 1 1 25 25 ASP C C 25 178.298 178.298 178.358 -0.060 18429 2348 1 5 . 1 1 25 25 ASP CA C 25 58.063 58.063 58.055 0.008 18429 2349 1 5 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.781 -0.264 18429 2350 1 5 . 1 1 25 25 ASP H H 25 8.779 8.779 8.727 0.052 18429 2351 1 5 . 1 1 26 26 GLU N N 26 117.055 117.055 118.559 -1.504 18429 2352 1 5 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.156 -0.021 18429 2353 1 5 . 1 1 26 26 GLU C C 26 177.454 177.454 178.223 -0.769 18429 2354 1 5 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.377 0.848 18429 2355 1 5 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.320 -0.766 18429 2356 1 5 . 1 1 26 26 GLU H H 26 9.324 9.324 8.581 0.743 18429 2357 1 5 . 1 1 27 27 ALA N N 27 120.789 120.789 122.488 -1.699 18429 2358 1 5 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.189 0.222 18429 2359 1 5 . 1 1 27 27 ALA C C 27 178.065 178.065 179.382 -1.317 18429 2360 1 5 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.061 -1.182 18429 2361 1 5 . 1 1 27 27 ALA CB C 27 19.896 19.896 17.988 1.908 18429 2362 1 5 . 1 1 27 27 ALA H H 27 7.474 7.474 8.117 -0.643 18429 2363 1 5 . 1 1 28 28 ARG N N 28 118.872 118.872 118.524 0.348 18429 2364 1 5 . 1 1 28 28 ARG HA H 28 3.675 3.675 4.005 -0.330 18429 2365 1 5 . 1 1 28 28 ARG C C 28 177.550 177.550 177.726 -0.176 18429 2366 1 5 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.353 1.249 18429 2367 1 5 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.270 -0.726 18429 2368 1 5 . 1 1 28 28 ARG H H 28 7.803 7.803 8.203 -0.400 18429 2369 1 5 . 1 1 29 29 GLU N N 29 117.512 117.512 118.148 -0.636 18429 2370 1 5 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.050 -0.008 18429 2371 1 5 . 1 1 29 29 GLU C C 29 179.122 179.122 179.218 -0.096 18429 2372 1 5 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.383 0.223 18429 2373 1 5 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.857 0.384 18429 2374 1 5 . 1 1 29 29 GLU H H 29 8.490 8.490 7.850 0.640 18429 2375 1 5 . 1 1 30 30 ARG N N 30 119.240 119.240 120.140 -0.900 18429 2376 1 5 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.143 -0.009 18429 2377 1 5 . 1 1 30 30 ARG C C 30 179.248 179.248 178.667 0.581 18429 2378 1 5 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.517 0.312 18429 2379 1 5 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.522 0.343 18429 2380 1 5 . 1 1 30 30 ARG H H 30 7.789 7.789 7.579 0.210 18429 2381 1 5 . 1 1 31 31 ILE N N 31 120.920 120.920 119.612 1.308 18429 2382 1 5 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.828 -0.090 18429 2383 1 5 . 1 1 31 31 ILE C C 31 177.089 177.089 178.287 -1.198 18429 2384 1 5 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.054 -1.236 18429 2385 1 5 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.604 -0.519 18429 2386 1 5 . 1 1 31 31 ILE H H 31 8.256 8.256 7.422 0.834 18429 2387 1 5 . 1 1 32 32 GLU N N 32 120.281 120.281 120.375 -0.094 18429 2388 1 5 . 1 1 32 32 GLU HA H 32 3.936 3.936 4.038 -0.102 18429 2389 1 5 . 1 1 32 32 GLU C C 32 179.429 179.429 179.266 0.163 18429 2390 1 5 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.788 -0.229 18429 2391 1 5 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.078 0.325 18429 2392 1 5 . 1 1 32 32 GLU H H 32 8.697 8.697 8.511 0.186 18429 2393 1 5 . 1 1 33 33 LYS N N 33 119.737 119.737 118.919 0.818 18429 2394 1 5 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.058 -0.000 18429 2395 1 5 . 1 1 33 33 LYS C C 33 178.159 178.159 179.186 -1.027 18429 2396 1 5 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.025 0.386 18429 2397 1 5 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.475 -0.425 18429 2398 1 5 . 1 1 33 33 LYS H H 33 7.764 7.764 7.466 0.298 18429 2399 1 5 . 1 1 34 34 LEU N N 34 120.133 120.133 120.186 -0.053 18429 2400 1 5 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.160 0.072 18429 2401 1 5 . 1 1 34 34 LEU C C 34 178.629 178.629 178.444 0.185 18429 2402 1 5 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.441 0.066 18429 2403 1 5 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.855 -0.058 18429 2404 1 5 . 1 1 34 34 LEU H H 34 7.790 7.790 7.623 0.167 18429 2405 1 5 . 1 1 35 35 ALA N N 35 119.492 119.492 120.728 -1.236 18429 2406 1 5 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.904 -0.136 18429 2407 1 5 . 1 1 35 35 ALA C C 35 179.297 179.297 179.353 -0.056 18429 2408 1 5 . 1 1 35 35 ALA CA C 35 55.023 55.023 54.922 0.101 18429 2409 1 5 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.026 0.165 18429 2410 1 5 . 1 1 35 35 ALA H H 35 8.634 8.634 8.128 0.506 18429 2411 1 5 . 1 1 36 36 LYS N N 36 118.470 118.470 118.171 0.299 18429 2412 1 5 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.959 -0.028 18429 2413 1 5 . 1 1 36 36 LYS C C 36 178.223 178.223 178.446 -0.223 18429 2414 1 5 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.757 -0.562 18429 2415 1 5 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.397 -0.342 18429 2416 1 5 . 1 1 36 36 LYS H H 36 7.704 7.704 7.720 -0.016 18429 2417 1 5 . 1 1 37 37 ASP N N 37 120.075 120.075 118.442 1.633 18429 2418 1 5 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.535 -0.132 18429 2419 1 5 . 1 1 37 37 ASP C C 37 179.334 179.334 178.632 0.702 18429 2420 1 5 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.164 0.017 18429 2421 1 5 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.765 -0.788 18429 2422 1 5 . 1 1 37 37 ASP H H 37 8.203 8.203 7.662 0.541 18429 2423 1 5 . 1 1 38 38 VAL N N 38 118.202 118.202 119.395 -1.193 18429 2424 1 5 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.533 0.090 18429 2425 1 5 . 1 1 38 38 VAL C C 38 177.017 177.017 177.503 -0.486 18429 2426 1 5 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.536 -0.868 18429 2427 1 5 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.099 0.138 18429 2428 1 5 . 1 1 38 38 VAL H H 38 8.215 8.215 7.570 0.645 18429 2429 1 5 . 1 1 39 39 LYS N N 39 119.236 119.236 119.491 -0.255 18429 2430 1 5 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.967 -0.157 18429 2431 1 5 . 1 1 39 39 LYS C C 39 178.575 178.575 178.963 -0.388 18429 2432 1 5 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.960 -0.247 18429 2433 1 5 . 1 1 39 39 LYS CB C 39 32.091 32.091 32.107 -0.016 18429 2434 1 5 . 1 1 39 39 LYS H H 39 7.780 7.780 7.676 0.104 18429 2435 1 5 . 1 1 40 40 ASP N N 40 118.227 118.227 118.797 -0.570 18429 2436 1 5 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.414 0.038 18429 2437 1 5 . 1 1 40 40 ASP C C 40 178.137 178.137 178.380 -0.243 18429 2438 1 5 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.854 -1.431 18429 2439 1 5 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.429 -0.019 18429 2440 1 5 . 1 1 40 40 ASP H H 40 8.273 8.273 7.912 0.361 18429 2441 1 5 . 1 1 41 41 GLU N N 41 119.896 119.896 119.475 0.421 18429 2442 1 5 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.242 -0.011 18429 2443 1 5 . 1 1 41 41 GLU C C 41 177.849 177.849 178.945 -1.096 18429 2444 1 5 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.492 -1.107 18429 2445 1 5 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.451 0.280 18429 2446 1 5 . 1 1 41 41 GLU H H 41 7.875 7.875 7.834 0.041 18429 2447 1 5 . 1 1 42 42 LEU N N 42 119.906 119.906 119.121 0.785 18429 2448 1 5 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.071 0.053 18429 2449 1 5 . 1 1 42 42 LEU C C 42 178.276 178.276 178.639 -0.363 18429 2450 1 5 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.361 -0.648 18429 2451 1 5 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.910 0.238 18429 2452 1 5 . 1 1 42 42 LEU H H 42 7.952 7.952 7.924 0.028 18429 2453 1 5 . 1 1 43 43 GLU N N 43 117.735 117.735 117.160 0.575 18429 2454 1 5 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.247 -0.112 18429 2455 1 5 . 1 1 43 43 GLU C C 43 177.582 177.582 177.452 0.130 18429 2456 1 5 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.620 0.184 18429 2457 1 5 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.394 -0.823 18429 2458 1 5 . 1 1 43 43 GLU H H 43 8.020 8.020 7.723 0.297 18429 2459 1 5 . 1 1 44 44 GLU N N 44 116.308 116.308 115.934 0.374 18429 2460 1 5 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.501 -0.085 18429 2461 1 5 . 1 1 44 44 GLU C C 44 177.133 177.133 177.660 -0.527 18429 2462 1 5 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.482 -0.034 18429 2463 1 5 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.433 -0.319 18429 2464 1 5 . 1 1 44 44 GLU H H 44 8.128 8.128 8.176 -0.048 18429 2465 1 5 . 1 1 45 45 GLY N N 45 109.450 109.450 110.329 -0.879 18429 2466 1 5 . 1 1 45 45 GLY C C 45 173.685 173.685 172.974 0.711 18429 2467 1 5 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.448 0.926 18429 2468 1 5 . 1 1 45 45 GLY H H 45 8.156 8.156 7.706 0.450 18429 2469 1 5 . 1 1 46 46 ASP N N 46 120.995 120.995 119.979 1.016 18429 2470 1 5 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.695 -0.007 18429 2471 1 5 . 1 1 46 46 ASP C C 46 176.375 176.375 176.087 0.288 18429 2472 1 5 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.267 0.358 18429 2473 1 5 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.850 -0.643 18429 2474 1 5 . 1 1 46 46 ASP H H 46 8.467 8.467 8.169 0.298 18429 2475 1 5 . 1 1 47 47 ALA N N 47 124.626 124.626 130.068 -5.442 18429 2476 1 5 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.059 0.064 18429 2477 1 5 . 1 1 47 47 ALA C C 47 178.084 178.084 178.545 -0.461 18429 2478 1 5 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.796 -0.855 18429 2479 1 5 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.012 -0.029 18429 2480 1 5 . 1 1 47 47 ALA H H 47 8.483 8.483 8.600 -0.117 18429 2481 1 5 . 1 1 48 48 LYS N N 48 118.214 118.214 119.037 -0.823 18429 2482 1 5 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.853 -0.052 18429 2483 1 5 . 1 1 48 48 LYS C C 48 177.582 177.582 178.087 -0.505 18429 2484 1 5 . 1 1 48 48 LYS CA C 48 60.112 60.112 60.196 -0.084 18429 2485 1 5 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.196 -0.036 18429 2486 1 5 . 1 1 48 48 LYS H H 48 8.349 8.349 8.050 0.299 18429 2487 1 5 . 1 1 49 49 ASN N N 49 116.387 116.387 117.495 -1.108 18429 2488 1 5 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.513 -0.005 18429 2489 1 5 . 1 1 49 49 ASN C C 49 177.753 177.753 177.679 0.074 18429 2490 1 5 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.729 0.252 18429 2491 1 5 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.161 0.204 18429 2492 1 5 . 1 1 49 49 ASN H H 49 8.184 8.184 8.047 0.137 18429 2493 1 5 . 1 1 50 50 MET N N 50 118.627 118.627 118.508 0.119 18429 2494 1 5 . 1 1 50 50 MET HA H 50 4.335 4.335 4.247 0.088 18429 2495 1 5 . 1 1 50 50 MET C C 50 178.683 178.683 178.851 -0.168 18429 2496 1 5 . 1 1 50 50 MET CA C 50 57.203 57.203 58.035 -0.832 18429 2497 1 5 . 1 1 50 50 MET CB C 50 32.289 32.289 31.952 0.337 18429 2498 1 5 . 1 1 50 50 MET H H 50 8.189 8.189 7.593 0.596 18429 2499 1 5 . 1 1 51 51 ILE N N 51 120.778 120.778 120.374 0.404 18429 2500 1 5 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.676 0.017 18429 2501 1 5 . 1 1 51 51 ILE C C 51 177.667 177.667 178.213 -0.546 18429 2502 1 5 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.583 -0.219 18429 2503 1 5 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.503 -0.219 18429 2504 1 5 . 1 1 51 51 ILE H H 51 8.475 8.475 8.125 0.350 18429 2505 1 5 . 1 1 52 52 GLU N N 52 120.715 120.715 118.848 1.867 18429 2506 1 5 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.059 -0.220 18429 2507 1 5 . 1 1 52 52 GLU C C 52 178.201 178.201 179.090 -0.889 18429 2508 1 5 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.473 0.654 18429 2509 1 5 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.498 -0.252 18429 2510 1 5 . 1 1 52 52 GLU H H 52 8.372 8.372 8.009 0.363 18429 2511 1 5 . 1 1 53 53 LYS N N 53 118.426 118.426 118.822 -0.396 18429 2512 1 5 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.173 -0.043 18429 2513 1 5 . 1 1 53 53 LYS C C 53 179.163 179.163 178.145 1.018 18429 2514 1 5 . 1 1 53 53 LYS CA C 53 59.087 59.087 59.126 -0.039 18429 2515 1 5 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.180 -0.030 18429 2516 1 5 . 1 1 53 53 LYS H H 53 7.766 7.766 8.309 -0.543 18429 2517 1 5 . 1 1 54 54 PHE N N 54 120.522 120.522 122.222 -1.700 18429 2518 1 5 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.143 -0.041 18429 2519 1 5 . 1 1 54 54 PHE C C 54 176.920 176.920 177.137 -0.217 18429 2520 1 5 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.279 0.258 18429 2521 1 5 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.386 0.026 18429 2522 1 5 . 1 1 54 54 PHE H H 54 7.990 7.990 8.169 -0.179 18429 2523 1 5 . 1 1 55 55 ARG N N 55 120.870 120.870 119.521 1.349 18429 2524 1 5 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.911 -0.085 18429 2525 1 5 . 1 1 55 55 ARG C C 55 178.383 178.383 178.100 0.283 18429 2526 1 5 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.351 0.609 18429 2527 1 5 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.523 2.591 18429 2528 1 5 . 1 1 55 55 ARG H H 55 8.774 8.774 7.912 0.862 18429 2529 1 5 . 1 1 56 56 ASP N N 56 119.776 119.776 118.894 0.882 18429 2530 1 5 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.412 -0.085 18429 2531 1 5 . 1 1 56 56 ASP C C 56 179.398 179.398 178.576 0.822 18429 2532 1 5 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.542 0.014 18429 2533 1 5 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.781 -0.964 18429 2534 1 5 . 1 1 56 56 ASP H H 56 8.491 8.491 7.682 0.809 18429 2535 1 5 . 1 1 57 57 GLU N N 57 120.418 120.418 119.460 0.958 18429 2536 1 5 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.981 0.072 18429 2537 1 5 . 1 1 57 57 GLU C C 57 179.708 179.708 179.085 0.623 18429 2538 1 5 . 1 1 57 57 GLU CA C 57 58.894 58.894 59.000 -0.106 18429 2539 1 5 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.244 0.132 18429 2540 1 5 . 1 1 57 57 GLU H H 57 7.894 7.894 8.175 -0.281 18429 2541 1 5 . 1 1 58 58 MET N N 58 119.674 119.674 118.092 1.582 18429 2542 1 5 . 1 1 58 58 MET HA H 58 4.090 4.090 3.992 0.098 18429 2543 1 5 . 1 1 58 58 MET C C 58 178.137 178.137 178.339 -0.202 18429 2544 1 5 . 1 1 58 58 MET CA C 58 58.568 58.568 59.307 -0.739 18429 2545 1 5 . 1 1 58 58 MET CB C 58 31.846 31.846 32.299 -0.453 18429 2546 1 5 . 1 1 58 58 MET H H 58 8.352 8.352 8.106 0.246 18429 2547 1 5 . 1 1 59 59 GLU N N 59 119.770 119.770 119.566 0.204 18429 2548 1 5 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.995 -0.045 18429 2549 1 5 . 1 1 59 59 GLU C C 59 178.939 178.939 178.925 0.014 18429 2550 1 5 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.579 0.165 18429 2551 1 5 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.521 -0.344 18429 2552 1 5 . 1 1 59 59 GLU H H 59 8.717 8.717 8.140 0.577 18429 2553 1 5 . 1 1 60 60 GLN N N 60 117.895 117.895 119.914 -2.019 18429 2554 1 5 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.081 -0.110 18429 2555 1 5 . 1 1 60 60 GLN C C 60 178.052 178.052 178.414 -0.362 18429 2556 1 5 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.863 -0.609 18429 2557 1 5 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.639 -0.521 18429 2558 1 5 . 1 1 60 60 GLN H H 60 7.613 7.613 7.712 -0.099 18429 2559 1 5 . 1 1 61 61 MET N N 61 118.464 118.464 117.630 0.834 18429 2560 1 5 . 1 1 61 61 MET HA H 61 4.080 4.080 4.160 -0.080 18429 2561 1 5 . 1 1 61 61 MET C C 61 178.545 178.545 178.808 -0.263 18429 2562 1 5 . 1 1 61 61 MET CA C 61 58.972 58.972 58.654 0.318 18429 2563 1 5 . 1 1 61 61 MET CB C 61 32.309 32.309 32.674 -0.365 18429 2564 1 5 . 1 1 61 61 MET H H 61 7.943 7.943 7.961 -0.018 18429 2565 1 5 . 1 1 62 62 TYR N N 62 119.118 119.118 121.516 -2.398 18429 2566 1 5 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.321 -0.161 18429 2567 1 5 . 1 1 62 62 TYR C C 62 176.118 176.118 176.939 -0.821 18429 2568 1 5 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.608 -0.356 18429 2569 1 5 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.650 -0.261 18429 2570 1 5 . 1 1 62 62 TYR H H 62 8.313 8.313 8.332 -0.019 18429 2571 1 5 . 1 1 63 63 LYS N N 63 117.899 117.899 119.123 -1.224 18429 2572 1 5 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.805 -0.009 18429 2573 1 5 . 1 1 63 63 LYS C C 63 178.470 178.470 177.737 0.733 18429 2574 1 5 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.573 0.229 18429 2575 1 5 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.616 -0.598 18429 2576 1 5 . 1 1 63 63 LYS H H 63 7.806 7.806 7.834 -0.028 18429 2577 1 5 . 1 1 64 64 ASP N N 64 116.931 116.931 117.755 -0.824 18429 2578 1 5 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.515 -0.030 18429 2579 1 5 . 1 1 64 64 ASP C C 64 176.460 176.460 175.729 0.731 18429 2580 1 5 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.284 0.356 18429 2581 1 5 . 1 1 64 64 ASP CB C 64 41.196 41.196 42.063 -0.867 18429 2582 1 5 . 1 1 64 64 ASP H H 64 7.771 7.771 7.920 -0.149 18429 2583 1 5 . 1 1 65 65 ALA N N 65 121.417 121.417 121.545 -0.128 18429 2584 1 5 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.704 -0.112 18429 2585 1 5 . 1 1 65 65 ALA C C 65 180.460 180.460 174.720 5.740 18429 2586 1 5 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.697 0.526 18429 2587 1 5 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.837 -1.562 18429 2588 1 5 . 1 1 65 65 ALA H H 65 7.536 7.536 7.493 0.043 18429 2589 1 5 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.645 -0.673 18429 2590 1 5 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.239 1.820 18429 2591 1 5 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.622 -0.244 18429 2592 1 5 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.513 -0.063 18429 2593 1 5 . 1 1 67 67 ASN CA C 67 56.342 56.342 54.007 2.335 18429 2594 1 5 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.493 2.090 18429 2595 1 5 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.383 -0.096 18429 2596 1 5 . 1 1 68 68 ALA C C 68 180.039 180.039 179.102 0.937 18429 2597 1 5 . 1 1 68 68 ALA CA C 68 54.958 54.958 52.184 2.774 18429 2598 1 5 . 1 1 68 68 ALA CB C 68 18.837 18.837 19.019 -0.182 18429 2599 1 5 . 1 1 69 69 VAL N N 69 119.699 119.699 122.396 -2.697 18429 2600 1 5 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.837 -0.028 18429 2601 1 5 . 1 1 69 69 VAL C C 69 178.578 178.578 177.068 1.510 18429 2602 1 5 . 1 1 69 69 VAL CA C 69 65.910 65.910 64.930 0.980 18429 2603 1 5 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.601 -0.280 18429 2604 1 5 . 1 1 69 69 VAL H H 69 7.968 7.968 8.346 -0.378 18429 2605 1 5 . 1 1 70 70 MET N N 70 119.158 119.158 119.207 -0.049 18429 2606 1 5 . 1 1 70 70 MET HA H 70 4.411 4.411 4.081 0.330 18429 2607 1 5 . 1 1 70 70 MET C C 70 177.858 177.858 177.440 0.418 18429 2608 1 5 . 1 1 70 70 MET CA C 70 56.540 56.540 58.316 -1.776 18429 2609 1 5 . 1 1 70 70 MET CB C 70 31.927 31.927 32.155 -0.228 18429 2610 1 5 . 1 1 70 70 MET H H 70 8.195 8.195 8.314 -0.119 18429 2611 1 5 . 1 1 71 71 GLU N N 71 119.109 119.109 118.710 0.399 18429 2612 1 5 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.422 0.100 18429 2613 1 5 . 1 1 71 71 GLU C C 71 178.949 178.949 178.425 0.524 18429 2614 1 5 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.612 0.189 18429 2615 1 5 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.172 0.515 18429 2616 1 5 . 1 1 71 71 GLU H H 71 8.122 8.122 7.682 0.440 18429 2617 1 5 . 1 1 72 72 GLN N N 72 118.471 118.471 119.381 -0.910 18429 2618 1 5 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.088 0.034 18429 2619 1 5 . 1 1 72 72 GLN C C 72 178.597 178.597 178.495 0.102 18429 2620 1 5 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.523 -0.008 18429 2621 1 5 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.274 -0.163 18429 2622 1 5 . 1 1 72 72 GLN H H 72 7.662 7.662 7.737 -0.075 18429 2623 1 5 . 1 1 73 73 LEU N N 73 120.880 120.880 120.939 -0.059 18429 2624 1 5 . 1 1 73 73 LEU HA H 73 4.044 4.044 3.974 0.070 18429 2625 1 5 . 1 1 73 73 LEU C C 73 178.992 178.992 179.015 -0.023 18429 2626 1 5 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.898 0.149 18429 2627 1 5 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.646 -0.269 18429 2628 1 5 . 1 1 73 73 LEU H H 73 8.170 8.170 8.209 -0.039 18429 2629 1 5 . 1 1 74 74 LEU N N 74 119.628 119.628 118.884 0.744 18429 2630 1 5 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.889 0.063 18429 2631 1 5 . 1 1 74 74 LEU C C 74 179.088 179.088 179.555 -0.467 18429 2632 1 5 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.612 0.162 18429 2633 1 5 . 1 1 74 74 LEU CB C 74 41.067 41.067 40.272 0.795 18429 2634 1 5 . 1 1 74 74 LEU H H 74 8.396 8.396 7.476 0.920 18429 2635 1 5 . 1 1 75 75 GLU N N 75 119.588 119.588 119.408 0.180 18429 2636 1 5 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.958 0.087 18429 2637 1 5 . 1 1 75 75 GLU C C 75 179.772 179.772 178.685 1.087 18429 2638 1 5 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.319 -0.058 18429 2639 1 5 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.239 -0.372 18429 2640 1 5 . 1 1 75 75 GLU H H 75 7.622 7.622 8.011 -0.389 18429 2641 1 5 . 1 1 76 76 GLU N N 76 118.750 118.750 119.637 -0.887 18429 2642 1 5 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.107 -0.018 18429 2643 1 5 . 1 1 76 76 GLU C C 76 180.103 180.103 179.081 1.022 18429 2644 1 5 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.822 0.287 18429 2645 1 5 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.269 0.096 18429 2646 1 5 . 1 1 76 76 GLU H H 76 8.127 8.127 7.672 0.455 18429 2647 1 5 . 1 1 77 77 ILE N N 77 121.044 121.044 120.219 0.825 18429 2648 1 5 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.644 0.180 18429 2649 1 5 . 1 1 77 77 ILE C C 77 177.219 177.219 177.773 -0.554 18429 2650 1 5 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.353 -0.807 18429 2651 1 5 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.749 -0.602 18429 2652 1 5 . 1 1 77 77 ILE H H 77 8.715 8.715 8.107 0.608 18429 2653 1 5 . 1 1 78 78 GLU N N 78 121.847 121.847 120.046 1.801 18429 2654 1 5 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.803 0.239 18429 2655 1 5 . 1 1 78 78 GLU C C 78 179.644 179.644 178.607 1.037 18429 2656 1 5 . 1 1 78 78 GLU CA C 78 59.486 59.486 60.182 -0.696 18429 2657 1 5 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.453 -0.467 18429 2658 1 5 . 1 1 78 78 GLU H H 78 8.161 8.161 8.039 0.122 18429 2659 1 5 . 1 1 79 79 LYS N N 79 118.842 118.842 118.239 0.603 18429 2660 1 5 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.083 -0.121 18429 2661 1 5 . 1 1 79 79 LYS C C 79 179.729 179.729 178.979 0.750 18429 2662 1 5 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.748 0.993 18429 2663 1 5 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.364 1.065 18429 2664 1 5 . 1 1 79 79 LYS H H 79 7.756 7.756 7.514 0.242 18429 2665 1 5 . 1 1 80 80 LEU N N 80 120.440 120.440 119.314 1.126 18429 2666 1 5 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.248 -0.195 18429 2667 1 5 . 1 1 80 80 LEU C C 80 178.939 178.939 179.415 -0.476 18429 2668 1 5 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.247 0.708 18429 2669 1 5 . 1 1 80 80 LEU CB C 80 41.676 41.676 40.900 0.776 18429 2670 1 5 . 1 1 80 80 LEU H H 80 7.805 7.805 7.263 0.542 18429 2671 1 5 . 1 1 81 81 LEU N N 81 119.519 119.519 119.569 -0.050 18429 2672 1 5 . 1 1 81 81 LEU HA H 81 3.955 3.955 4.024 -0.069 18429 2673 1 5 . 1 1 81 81 LEU C C 81 179.366 179.366 178.418 0.948 18429 2674 1 5 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.757 0.019 18429 2675 1 5 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.231 0.386 18429 2676 1 5 . 1 1 81 81 LEU H H 81 8.423 8.423 8.143 0.280 18429 2677 1 5 . 1 1 82 82 LYS N N 82 119.070 119.070 117.867 1.203 18429 2678 1 5 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.095 0.036 18429 2679 1 5 . 1 1 82 82 LYS C C 82 179.237 179.237 178.549 0.688 18429 2680 1 5 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.503 0.369 18429 2681 1 5 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.603 -0.391 18429 2682 1 5 . 1 1 82 82 LYS H H 82 7.804 7.804 7.477 0.327 18429 2683 1 5 . 1 1 83 83 LYS N N 83 119.647 119.647 117.947 1.700 18429 2684 1 5 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.096 0.145 18429 2685 1 5 . 1 1 83 83 LYS C C 83 178.234 178.234 177.432 0.802 18429 2686 1 5 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.360 -1.032 18429 2687 1 5 . 1 1 83 83 LYS CB C 83 32.189 32.189 33.044 -0.855 18429 2688 1 5 . 1 1 83 83 LYS H H 83 7.737 7.737 7.823 -0.086 18429 2689 1 5 . 1 1 84 84 ALA N N 84 122.121 122.121 118.968 3.153 18429 2690 1 5 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.511 -0.441 18429 2691 1 5 . 1 1 84 84 ALA C C 84 179.003 179.003 178.547 0.456 18429 2692 1 5 . 1 1 84 84 ALA CA C 84 53.922 53.922 51.816 2.107 18429 2693 1 5 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.508 -1.333 18429 2694 1 5 . 1 1 84 84 ALA H H 84 8.259 8.259 7.634 0.625 18429 2695 1 5 . 1 1 85 85 GLY N N 85 105.518 105.518 108.824 -3.306 18429 2696 1 5 . 1 1 85 85 GLY C C 85 174.759 174.759 174.674 0.085 18429 2697 1 5 . 1 1 85 85 GLY CA C 85 45.737 45.737 46.126 -0.389 18429 2698 1 5 . 1 1 85 85 GLY H H 85 8.191 8.191 8.694 -0.503 18429 2699 1 5 . 1 1 86 86 SER N N 86 114.680 114.680 116.016 -1.336 18429 2700 1 5 . 1 1 86 86 SER HA H 86 4.512 4.512 4.749 -0.237 18429 2701 1 5 . 1 1 86 86 SER C C 86 174.452 174.452 173.677 0.775 18429 2702 1 5 . 1 1 86 86 SER CA C 86 58.641 58.641 57.383 1.258 18429 2703 1 5 . 1 1 86 86 SER CB C 86 63.751 63.751 65.812 -2.061 18429 2704 1 5 . 1 1 86 86 SER H H 86 7.884 7.884 7.753 0.131 18429 2705 1 5 . 1 1 87 87 LEU N N 87 122.300 122.300 122.315 -0.015 18429 2706 1 5 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.314 0.018 18429 2707 1 5 . 1 1 87 87 LEU C C 87 176.845 176.845 176.446 0.399 18429 2708 1 5 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.202 -0.210 18429 2709 1 5 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.739 0.185 18429 2710 1 5 . 1 1 87 87 LEU H H 87 7.806 7.806 8.475 -0.669 18429 2711 1 5 . 1 1 88 88 VAL N N 88 120.869 120.869 116.176 4.693 18429 2712 1 5 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.525 -0.138 18429 2713 1 5 . 1 1 88 88 VAL C C 88 174.367 174.367 175.415 -1.048 18429 2714 1 5 . 1 1 88 88 VAL CA C 88 59.756 59.756 59.229 0.527 18429 2715 1 5 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.727 -0.349 18429 2716 1 5 . 1 1 88 88 VAL H H 88 7.849 7.849 7.392 0.457 18429 2717 1 5 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.291 0.121 18429 2718 1 5 . 1 1 89 89 PRO C C 89 176.898 176.898 176.267 0.631 18429 2719 1 5 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.368 -0.439 18429 2720 1 5 . 1 1 89 89 PRO CB C 89 31.926 31.926 31.824 0.102 18429 2721 1 5 . 1 1 90 90 ARG N N 90 121.893 121.893 118.577 3.316 18429 2722 1 5 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.048 0.243 18429 2723 1 5 . 1 1 90 90 ARG C C 90 177.081 177.081 176.294 0.787 18429 2724 1 5 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.014 0.311 18429 2725 1 5 . 1 1 90 90 ARG CB C 90 30.554 30.554 29.314 1.240 18429 2726 1 5 . 1 1 90 90 ARG H H 90 8.528 8.528 8.168 0.360 18429 2727 1 5 . 1 1 91 91 GLY N N 91 109.932 109.932 114.224 -4.292 18429 2728 1 5 . 1 1 91 91 GLY C C 91 174.324 174.324 173.819 0.505 18429 2729 1 5 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.796 0.497 18429 2730 1 5 . 1 1 91 91 GLY H H 91 8.551 8.551 8.554 -0.003 18429 2731 1 5 . 1 1 92 92 SER N N 92 115.612 115.612 115.325 0.287 18429 2732 1 5 . 1 1 92 92 SER HA H 92 4.407 4.407 4.475 -0.068 18429 2733 1 5 . 1 1 92 92 SER C C 92 174.463 174.463 173.740 0.723 18429 2734 1 5 . 1 1 92 92 SER CA C 92 58.310 58.310 57.675 0.635 18429 2735 1 5 . 1 1 92 92 SER CB C 92 63.616 63.616 64.208 -0.592 18429 2736 1 5 . 1 1 92 92 SER H H 92 8.183 8.183 7.482 0.701 18429 2737 1 5 . 1 1 93 93 TYR N N 93 122.140 122.140 124.142 -2.002 18429 2738 1 5 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.607 -0.101 18429 2739 1 5 . 1 1 93 93 TYR C C 93 175.659 175.659 176.254 -0.595 18429 2740 1 5 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.328 -0.223 18429 2741 1 5 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.597 -0.306 18429 2742 1 5 . 1 1 93 93 TYR H H 93 8.206 8.206 8.143 0.063 18429 2743 1 5 . 1 1 94 94 LEU N N 94 123.025 123.025 120.428 2.597 18429 2744 1 5 . 1 1 94 94 LEU HA H 94 4.199 4.199 3.975 0.224 18429 2745 1 5 . 1 1 94 94 LEU C C 94 177.037 177.037 177.102 -0.065 18429 2746 1 5 . 1 1 94 94 LEU CA C 94 54.945 54.945 55.776 -0.831 18429 2747 1 5 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.833 0.333 18429 2748 1 5 . 1 1 94 94 LEU H H 94 8.007 8.007 8.537 -0.530 18429 2749 1 5 . 1 1 95 95 GLU N N 95 120.848 120.848 118.334 2.514 18429 2750 1 5 . 1 1 95 95 GLU HA H 95 4.116 4.116 3.908 0.208 18429 2751 1 5 . 1 1 95 95 GLU C C 95 176.268 176.268 175.390 0.878 18429 2752 1 5 . 1 1 95 95 GLU CA C 95 56.713 56.713 57.098 -0.385 18429 2753 1 5 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.943 0.103 18429 2754 1 5 . 1 1 95 95 GLU H H 95 8.141 8.141 8.875 -0.734 18429 2755 1 5 . 1 1 96 96 HIS N N 96 119.288 119.288 120.907 -1.619 18429 2756 1 5 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.313 0.257 18429 2757 1 5 . 1 1 96 96 HIS C C 96 174.100 174.100 173.881 0.219 18429 2758 1 5 . 1 1 96 96 HIS CA C 96 55.839 55.839 57.047 -1.208 18429 2759 1 5 . 1 1 96 96 HIS CB C 96 30.404 30.404 28.750 1.654 18429 2760 1 5 . 1 1 96 96 HIS H H 96 8.144 8.144 8.638 -0.494 18429 2761 1 5 . 1 1 97 97 HIS N N 97 125.622 125.622 120.353 5.269 18429 2762 1 5 . 1 1 97 97 HIS C C 97 179.480 179.480 173.576 5.904 18429 2763 1 5 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.166 1.281 18429 2764 1 5 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.109 1.645 18429 2765 1 5 . 1 1 97 97 HIS H H 97 8.017 8.017 8.258 -0.241 18429 2766 1 6 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.132 0.184 18429 2767 1 6 . 1 1 2 2 GLN C C 2 177.028 177.028 176.337 0.691 18429 2768 1 6 . 1 1 2 2 GLN CA C 2 56.800 56.800 57.985 -1.185 18429 2769 1 6 . 1 1 2 2 GLN CB C 2 28.884 28.884 28.124 0.760 18429 2770 1 6 . 1 1 3 3 GLU N N 3 123.654 123.654 119.362 4.292 18429 2771 1 6 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.310 -0.233 18429 2772 1 6 . 1 1 3 3 GLU C C 3 177.945 177.945 175.469 2.476 18429 2773 1 6 . 1 1 3 3 GLU CA C 3 59.110 59.110 55.889 3.221 18429 2774 1 6 . 1 1 3 3 GLU CB C 3 29.343 29.343 27.646 1.697 18429 2775 1 6 . 1 1 3 3 GLU H H 3 8.995 8.995 8.310 0.685 18429 2776 1 6 . 1 1 4 4 GLU N N 4 119.237 119.237 116.803 2.434 18429 2777 1 6 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.939 0.130 18429 2778 1 6 . 1 1 4 4 GLU C C 4 178.815 178.815 176.079 2.736 18429 2779 1 6 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.314 1.838 18429 2780 1 6 . 1 1 4 4 GLU CB C 4 29.218 29.218 27.707 1.511 18429 2781 1 6 . 1 1 4 4 GLU H H 4 8.837 8.837 7.776 1.061 18429 2782 1 6 . 1 1 5 5 ARG N N 5 120.052 120.052 119.633 0.419 18429 2783 1 6 . 1 1 5 5 ARG HA H 5 3.951 3.951 3.996 -0.045 18429 2784 1 6 . 1 1 5 5 ARG C C 5 177.324 177.324 177.381 -0.057 18429 2785 1 6 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.266 -0.025 18429 2786 1 6 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.406 -0.425 18429 2787 1 6 . 1 1 5 5 ARG H H 5 7.884 7.884 7.644 0.240 18429 2788 1 6 . 1 1 6 6 LYS N N 6 119.327 119.327 119.637 -0.310 18429 2789 1 6 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.073 -0.093 18429 2790 1 6 . 1 1 6 6 LYS C C 6 178.939 178.939 178.666 0.273 18429 2791 1 6 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.653 0.679 18429 2792 1 6 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.654 0.500 18429 2793 1 6 . 1 1 6 6 LYS H H 6 7.998 7.998 7.745 0.253 18429 2794 1 6 . 1 1 7 7 LYS N N 7 117.908 117.908 119.476 -1.568 18429 2795 1 6 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.065 0.031 18429 2796 1 6 . 1 1 7 7 LYS C C 7 179.332 179.332 179.026 0.306 18429 2797 1 6 . 1 1 7 7 LYS CA C 7 58.767 58.767 59.237 -0.471 18429 2798 1 6 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.090 0.207 18429 2799 1 6 . 1 1 7 7 LYS H H 7 7.917 7.917 8.033 -0.116 18429 2800 1 6 . 1 1 8 8 LEU N N 8 120.724 120.724 121.694 -0.970 18429 2801 1 6 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.016 0.033 18429 2802 1 6 . 1 1 8 8 LEU C C 8 178.490 178.490 178.284 0.206 18429 2803 1 6 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.072 -0.383 18429 2804 1 6 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.996 -0.391 18429 2805 1 6 . 1 1 8 8 LEU H H 8 7.686 7.686 8.019 -0.333 18429 2806 1 6 . 1 1 9 9 LEU N N 9 118.886 118.886 117.956 0.930 18429 2807 1 6 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.913 0.025 18429 2808 1 6 . 1 1 9 9 LEU C C 9 178.981 178.981 178.913 0.068 18429 2809 1 6 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.870 0.088 18429 2810 1 6 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.237 -0.395 18429 2811 1 6 . 1 1 9 9 LEU H H 9 8.158 8.158 7.786 0.372 18429 2812 1 6 . 1 1 10 10 GLU N N 10 119.000 119.000 119.747 -0.747 18429 2813 1 6 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.014 0.038 18429 2814 1 6 . 1 1 10 10 GLU C C 10 179.601 179.601 178.797 0.804 18429 2815 1 6 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.354 -0.076 18429 2816 1 6 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.180 0.106 18429 2817 1 6 . 1 1 10 10 GLU H H 10 8.069 8.069 8.109 -0.040 18429 2818 1 6 . 1 1 11 11 LYS N N 11 119.446 119.446 120.320 -0.874 18429 2819 1 6 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.100 -0.017 18429 2820 1 6 . 1 1 11 11 LYS C C 11 178.971 178.971 178.815 0.156 18429 2821 1 6 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.660 0.112 18429 2822 1 6 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.964 0.032 18429 2823 1 6 . 1 1 11 11 LYS H H 11 7.676 7.676 7.770 -0.094 18429 2824 1 6 . 1 1 12 12 LEU N N 12 120.017 120.017 120.867 -0.850 18429 2825 1 6 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.908 -0.024 18429 2826 1 6 . 1 1 12 12 LEU C C 12 177.977 177.977 178.158 -0.181 18429 2827 1 6 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.356 -0.631 18429 2828 1 6 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.295 0.282 18429 2829 1 6 . 1 1 12 12 LEU H H 12 8.378 8.378 7.944 0.434 18429 2830 1 6 . 1 1 13 13 GLU N N 13 117.914 117.914 118.129 -0.215 18429 2831 1 6 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.894 -0.198 18429 2832 1 6 . 1 1 13 13 GLU C C 13 177.934 177.934 179.170 -1.236 18429 2833 1 6 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.429 0.687 18429 2834 1 6 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.944 0.454 18429 2835 1 6 . 1 1 13 13 GLU H H 13 8.458 8.458 8.212 0.246 18429 2836 1 6 . 1 1 14 14 LYS N N 14 117.629 117.629 120.279 -2.650 18429 2837 1 6 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.071 0.064 18429 2838 1 6 . 1 1 14 14 LYS C C 14 179.227 179.227 179.141 0.086 18429 2839 1 6 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.281 -0.415 18429 2840 1 6 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.422 -0.295 18429 2841 1 6 . 1 1 14 14 LYS H H 14 7.365 7.365 7.583 -0.218 18429 2842 1 6 . 1 1 15 15 ILE N N 15 119.583 119.583 120.401 -0.818 18429 2843 1 6 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.729 0.048 18429 2844 1 6 . 1 1 15 15 ILE C C 15 178.009 178.009 178.371 -0.362 18429 2845 1 6 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.238 -0.349 18429 2846 1 6 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.980 0.220 18429 2847 1 6 . 1 1 15 15 ILE H H 15 7.726 7.726 8.155 -0.429 18429 2848 1 6 . 1 1 16 16 LEU N N 16 118.601 118.601 119.032 -0.431 18429 2849 1 6 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.895 -0.042 18429 2850 1 6 . 1 1 16 16 LEU C C 16 179.729 179.729 178.774 0.955 18429 2851 1 6 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.005 -0.163 18429 2852 1 6 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.794 -0.157 18429 2853 1 6 . 1 1 16 16 LEU H H 16 8.372 8.372 7.795 0.577 18429 2854 1 6 . 1 1 17 17 ASP N N 17 120.008 120.008 120.196 -0.188 18429 2855 1 6 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.304 0.032 18429 2856 1 6 . 1 1 17 17 ASP C C 17 178.148 178.148 178.384 -0.236 18429 2857 1 6 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.455 -0.166 18429 2858 1 6 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.076 -0.808 18429 2859 1 6 . 1 1 17 17 ASP H H 17 8.192 8.192 7.981 0.211 18429 2860 1 6 . 1 1 18 18 GLU N N 18 119.362 119.362 118.569 0.793 18429 2861 1 6 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.158 -0.007 18429 2862 1 6 . 1 1 18 18 GLU C C 18 179.653 179.653 179.152 0.501 18429 2863 1 6 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.483 0.772 18429 2864 1 6 . 1 1 18 18 GLU CB C 18 29.200 29.200 30.002 -0.802 18429 2865 1 6 . 1 1 18 18 GLU H H 18 7.860 7.860 7.679 0.181 18429 2866 1 6 . 1 1 19 19 VAL N N 19 118.483 118.483 119.682 -1.199 18429 2867 1 6 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.750 0.076 18429 2868 1 6 . 1 1 19 19 VAL C C 19 177.496 177.496 177.806 -0.310 18429 2869 1 6 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.297 -1.400 18429 2870 1 6 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.853 -0.044 18429 2871 1 6 . 1 1 19 19 VAL H H 19 8.416 8.416 8.208 0.208 18429 2872 1 6 . 1 1 20 20 THR N N 20 112.904 112.904 114.197 -1.293 18429 2873 1 6 . 1 1 20 20 THR HA H 20 3.856 3.856 4.097 -0.241 18429 2874 1 6 . 1 1 20 20 THR C C 20 175.894 175.894 177.012 -1.118 18429 2875 1 6 . 1 1 20 20 THR CA C 20 65.696 65.696 65.982 -0.286 18429 2876 1 6 . 1 1 20 20 THR CB C 20 68.587 68.587 68.475 0.112 18429 2877 1 6 . 1 1 20 20 THR H H 20 7.985 7.985 7.807 0.178 18429 2878 1 6 . 1 1 21 21 ASP N N 21 120.510 120.510 121.579 -1.069 18429 2879 1 6 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.539 -0.096 18429 2880 1 6 . 1 1 21 21 ASP C C 21 177.358 177.358 177.551 -0.193 18429 2881 1 6 . 1 1 21 21 ASP CA C 21 56.368 56.368 57.010 -0.642 18429 2882 1 6 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.344 0.528 18429 2883 1 6 . 1 1 21 21 ASP H H 21 7.935 7.935 7.761 0.174 18429 2884 1 6 . 1 1 22 22 GLY N N 22 106.730 106.730 106.057 0.673 18429 2885 1 6 . 1 1 22 22 GLY C C 22 174.004 174.004 174.535 -0.531 18429 2886 1 6 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.927 -0.100 18429 2887 1 6 . 1 1 22 22 GLY H H 22 7.939 7.939 7.677 0.262 18429 2888 1 6 . 1 1 23 23 ALA N N 23 124.286 124.286 124.336 -0.050 18429 2889 1 6 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.534 -0.026 18429 2890 1 6 . 1 1 23 23 ALA C C 23 174.921 174.921 176.604 -1.683 18429 2891 1 6 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.837 0.514 18429 2892 1 6 . 1 1 23 23 ALA CB C 23 17.504 17.504 19.066 -1.562 18429 2893 1 6 . 1 1 23 23 ALA H H 23 7.531 7.531 7.332 0.199 18429 2894 1 6 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.315 0.248 18429 2895 1 6 . 1 1 24 24 PRO C C 24 177.571 177.571 176.479 1.092 18429 2896 1 6 . 1 1 24 24 PRO CA C 24 62.490 62.490 64.671 -2.181 18429 2897 1 6 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.463 -0.365 18429 2898 1 6 . 1 1 25 25 ASP N N 25 122.828 122.828 117.278 5.550 18429 2899 1 6 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.594 -0.339 18429 2900 1 6 . 1 1 25 25 ASP C C 25 178.298 178.298 175.744 2.554 18429 2901 1 6 . 1 1 25 25 ASP CA C 25 58.063 58.063 54.532 3.531 18429 2902 1 6 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.516 0.001 18429 2903 1 6 . 1 1 25 25 ASP H H 25 8.779 8.779 7.795 0.984 18429 2904 1 6 . 1 1 26 26 GLU N N 26 117.055 117.055 120.712 -3.657 18429 2905 1 6 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.326 -0.191 18429 2906 1 6 . 1 1 26 26 GLU C C 26 177.454 177.454 176.254 1.200 18429 2907 1 6 . 1 1 26 26 GLU CA C 26 59.224 59.224 57.260 1.964 18429 2908 1 6 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.489 -0.935 18429 2909 1 6 . 1 1 26 26 GLU H H 26 9.324 9.324 8.594 0.730 18429 2910 1 6 . 1 1 27 27 ALA N N 27 120.789 120.789 122.535 -1.746 18429 2911 1 6 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.337 0.074 18429 2912 1 6 . 1 1 27 27 ALA C C 27 178.065 178.065 178.868 -0.803 18429 2913 1 6 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.242 -0.363 18429 2914 1 6 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.755 1.141 18429 2915 1 6 . 1 1 27 27 ALA H H 27 7.474 7.474 8.002 -0.528 18429 2916 1 6 . 1 1 28 28 ARG N N 28 118.872 118.872 119.951 -1.079 18429 2917 1 6 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.969 -0.294 18429 2918 1 6 . 1 1 28 28 ARG C C 28 177.550 177.550 178.085 -0.535 18429 2919 1 6 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.871 0.731 18429 2920 1 6 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.406 -0.862 18429 2921 1 6 . 1 1 28 28 ARG H H 28 7.803 7.803 7.836 -0.033 18429 2922 1 6 . 1 1 29 29 GLU N N 29 117.512 117.512 117.371 0.141 18429 2923 1 6 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.029 0.013 18429 2924 1 6 . 1 1 29 29 GLU C C 29 179.122 179.122 178.988 0.134 18429 2925 1 6 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.151 0.456 18429 2926 1 6 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.007 0.234 18429 2927 1 6 . 1 1 29 29 GLU H H 29 8.490 8.490 8.656 -0.166 18429 2928 1 6 . 1 1 30 30 ARG N N 30 119.240 119.240 120.357 -1.117 18429 2929 1 6 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.132 0.002 18429 2930 1 6 . 1 1 30 30 ARG C C 30 179.248 179.248 178.577 0.671 18429 2931 1 6 . 1 1 30 30 ARG CA C 30 58.829 58.829 59.051 -0.222 18429 2932 1 6 . 1 1 30 30 ARG CB C 30 29.865 29.865 30.221 -0.356 18429 2933 1 6 . 1 1 30 30 ARG H H 30 7.789 7.789 7.544 0.245 18429 2934 1 6 . 1 1 31 31 ILE N N 31 120.920 120.920 119.152 1.768 18429 2935 1 6 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.914 -0.176 18429 2936 1 6 . 1 1 31 31 ILE C C 31 177.089 177.089 178.277 -1.188 18429 2937 1 6 . 1 1 31 31 ILE CA C 31 63.818 63.818 64.887 -1.069 18429 2938 1 6 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.642 -0.557 18429 2939 1 6 . 1 1 31 31 ILE H H 31 8.256 8.256 7.442 0.814 18429 2940 1 6 . 1 1 32 32 GLU N N 32 120.281 120.281 119.804 0.477 18429 2941 1 6 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.959 -0.023 18429 2942 1 6 . 1 1 32 32 GLU C C 32 179.429 179.429 178.675 0.754 18429 2943 1 6 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.358 0.201 18429 2944 1 6 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.071 0.332 18429 2945 1 6 . 1 1 32 32 GLU H H 32 8.697 8.697 8.510 0.187 18429 2946 1 6 . 1 1 33 33 LYS N N 33 119.737 119.737 119.627 0.110 18429 2947 1 6 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.072 -0.014 18429 2948 1 6 . 1 1 33 33 LYS C C 33 178.159 178.159 179.144 -0.985 18429 2949 1 6 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.213 0.198 18429 2950 1 6 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.528 -0.478 18429 2951 1 6 . 1 1 33 33 LYS H H 33 7.764 7.764 7.385 0.379 18429 2952 1 6 . 1 1 34 34 LEU N N 34 120.133 120.133 119.743 0.390 18429 2953 1 6 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.186 0.046 18429 2954 1 6 . 1 1 34 34 LEU C C 34 178.629 178.629 178.555 0.074 18429 2955 1 6 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.556 -0.049 18429 2956 1 6 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.808 -0.011 18429 2957 1 6 . 1 1 34 34 LEU H H 34 7.790 7.790 7.597 0.193 18429 2958 1 6 . 1 1 35 35 ALA N N 35 119.492 119.492 120.895 -1.403 18429 2959 1 6 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.822 -0.054 18429 2960 1 6 . 1 1 35 35 ALA C C 35 179.297 179.297 179.498 -0.201 18429 2961 1 6 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.028 -0.005 18429 2962 1 6 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.354 -0.163 18429 2963 1 6 . 1 1 35 35 ALA H H 35 8.634 8.634 7.765 0.869 18429 2964 1 6 . 1 1 36 36 LYS N N 36 118.470 118.470 118.784 -0.314 18429 2965 1 6 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.943 -0.012 18429 2966 1 6 . 1 1 36 36 LYS C C 36 178.223 178.223 178.911 -0.688 18429 2967 1 6 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.768 -0.573 18429 2968 1 6 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.224 -0.169 18429 2969 1 6 . 1 1 36 36 LYS H H 36 7.704 7.704 7.530 0.174 18429 2970 1 6 . 1 1 37 37 ASP N N 37 120.075 120.075 118.947 1.128 18429 2971 1 6 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.602 -0.199 18429 2972 1 6 . 1 1 37 37 ASP C C 37 179.334 179.334 178.563 0.771 18429 2973 1 6 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.082 0.099 18429 2974 1 6 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.789 -0.812 18429 2975 1 6 . 1 1 37 37 ASP H H 37 8.203 8.203 7.611 0.592 18429 2976 1 6 . 1 1 38 38 VAL N N 38 118.202 118.202 119.126 -0.924 18429 2977 1 6 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.659 -0.036 18429 2978 1 6 . 1 1 38 38 VAL C C 38 177.017 177.017 177.481 -0.464 18429 2979 1 6 . 1 1 38 38 VAL CA C 38 65.668 65.668 65.959 -0.291 18429 2980 1 6 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.913 0.324 18429 2981 1 6 . 1 1 38 38 VAL H H 38 8.215 8.215 7.712 0.503 18429 2982 1 6 . 1 1 39 39 LYS N N 39 119.236 119.236 119.516 -0.280 18429 2983 1 6 . 1 1 39 39 LYS HA H 39 3.810 3.810 4.004 -0.194 18429 2984 1 6 . 1 1 39 39 LYS C C 39 178.575 178.575 178.935 -0.360 18429 2985 1 6 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.501 0.213 18429 2986 1 6 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.958 0.133 18429 2987 1 6 . 1 1 39 39 LYS H H 39 7.780 7.780 7.414 0.366 18429 2988 1 6 . 1 1 40 40 ASP N N 40 118.227 118.227 119.238 -1.011 18429 2989 1 6 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.433 0.019 18429 2990 1 6 . 1 1 40 40 ASP C C 40 178.137 178.137 178.120 0.017 18429 2991 1 6 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.574 -1.151 18429 2992 1 6 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.718 -0.308 18429 2993 1 6 . 1 1 40 40 ASP H H 40 8.273 8.273 7.681 0.592 18429 2994 1 6 . 1 1 41 41 GLU N N 41 119.896 119.896 119.380 0.516 18429 2995 1 6 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.413 -0.182 18429 2996 1 6 . 1 1 41 41 GLU C C 41 177.849 177.849 179.153 -1.304 18429 2997 1 6 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.688 -0.304 18429 2998 1 6 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.427 0.304 18429 2999 1 6 . 1 1 41 41 GLU H H 41 7.875 7.875 7.489 0.386 18429 3000 1 6 . 1 1 42 42 LEU N N 42 119.906 119.906 119.136 0.770 18429 3001 1 6 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.045 0.079 18429 3002 1 6 . 1 1 42 42 LEU C C 42 178.276 178.276 178.519 -0.243 18429 3003 1 6 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.759 -1.046 18429 3004 1 6 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.771 0.377 18429 3005 1 6 . 1 1 42 42 LEU H H 42 7.952 7.952 7.930 0.022 18429 3006 1 6 . 1 1 43 43 GLU N N 43 117.735 117.735 114.891 2.844 18429 3007 1 6 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.327 -0.192 18429 3008 1 6 . 1 1 43 43 GLU C C 43 177.582 177.582 176.409 1.173 18429 3009 1 6 . 1 1 43 43 GLU CA C 43 58.804 58.804 57.157 1.647 18429 3010 1 6 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.892 -1.321 18429 3011 1 6 . 1 1 43 43 GLU H H 43 8.020 8.020 8.026 -0.006 18429 3012 1 6 . 1 1 44 44 GLU N N 44 116.308 116.308 119.679 -3.371 18429 3013 1 6 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.509 -0.093 18429 3014 1 6 . 1 1 44 44 GLU C C 44 177.133 177.133 175.553 1.580 18429 3015 1 6 . 1 1 44 44 GLU CA C 44 56.448 56.448 55.897 0.551 18429 3016 1 6 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.011 0.103 18429 3017 1 6 . 1 1 44 44 GLU H H 44 8.128 8.128 7.968 0.160 18429 3018 1 6 . 1 1 45 45 GLY N N 45 109.450 109.450 115.418 -5.968 18429 3019 1 6 . 1 1 45 45 GLY C C 45 173.685 173.685 173.051 0.634 18429 3020 1 6 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.701 0.673 18429 3021 1 6 . 1 1 45 45 GLY H H 45 8.156 8.156 8.683 -0.527 18429 3022 1 6 . 1 1 46 46 ASP N N 46 120.995 120.995 123.516 -2.521 18429 3023 1 6 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.838 -0.150 18429 3024 1 6 . 1 1 46 46 ASP C C 46 176.375 176.375 175.500 0.875 18429 3025 1 6 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.900 -0.275 18429 3026 1 6 . 1 1 46 46 ASP CB C 46 41.207 41.207 42.364 -1.157 18429 3027 1 6 . 1 1 46 46 ASP H H 46 8.467 8.467 8.655 -0.188 18429 3028 1 6 . 1 1 47 47 ALA N N 47 124.626 124.626 128.034 -3.408 18429 3029 1 6 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.009 0.114 18429 3030 1 6 . 1 1 47 47 ALA C C 47 178.084 178.084 178.232 -0.148 18429 3031 1 6 . 1 1 47 47 ALA CA C 47 53.941 53.941 55.048 -1.107 18429 3032 1 6 . 1 1 47 47 ALA CB C 47 18.984 18.984 18.902 0.082 18429 3033 1 6 . 1 1 47 47 ALA H H 47 8.483 8.483 8.551 -0.068 18429 3034 1 6 . 1 1 48 48 LYS N N 48 118.214 118.214 118.959 -0.745 18429 3035 1 6 . 1 1 48 48 LYS HA H 48 3.801 3.801 4.007 -0.206 18429 3036 1 6 . 1 1 48 48 LYS C C 48 177.582 177.582 178.431 -0.849 18429 3037 1 6 . 1 1 48 48 LYS CA C 48 60.112 60.112 58.727 1.385 18429 3038 1 6 . 1 1 48 48 LYS CB C 48 32.160 32.160 31.873 0.287 18429 3039 1 6 . 1 1 48 48 LYS H H 48 8.349 8.349 7.951 0.398 18429 3040 1 6 . 1 1 49 49 ASN N N 49 116.387 116.387 118.074 -1.687 18429 3041 1 6 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.761 -0.253 18429 3042 1 6 . 1 1 49 49 ASN C C 49 177.753 177.753 177.573 0.180 18429 3043 1 6 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.259 -0.278 18429 3044 1 6 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.282 0.083 18429 3045 1 6 . 1 1 49 49 ASN H H 49 8.184 8.184 8.329 -0.144 18429 3046 1 6 . 1 1 50 50 MET N N 50 118.627 118.627 118.420 0.207 18429 3047 1 6 . 1 1 50 50 MET HA H 50 4.335 4.335 4.269 0.066 18429 3048 1 6 . 1 1 50 50 MET C C 50 178.683 178.683 178.945 -0.262 18429 3049 1 6 . 1 1 50 50 MET CA C 50 57.203 57.203 58.033 -0.830 18429 3050 1 6 . 1 1 50 50 MET CB C 50 32.289 32.289 31.833 0.456 18429 3051 1 6 . 1 1 50 50 MET H H 50 8.189 8.189 7.409 0.780 18429 3052 1 6 . 1 1 51 51 ILE N N 51 120.778 120.778 119.529 1.249 18429 3053 1 6 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.687 0.006 18429 3054 1 6 . 1 1 51 51 ILE C C 51 177.667 177.667 178.148 -0.481 18429 3055 1 6 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.406 -0.042 18429 3056 1 6 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.419 -0.135 18429 3057 1 6 . 1 1 51 51 ILE H H 51 8.475 8.475 8.037 0.438 18429 3058 1 6 . 1 1 52 52 GLU N N 52 120.715 120.715 119.446 1.269 18429 3059 1 6 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.068 -0.229 18429 3060 1 6 . 1 1 52 52 GLU C C 52 178.201 178.201 178.833 -0.632 18429 3061 1 6 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.335 0.792 18429 3062 1 6 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.222 0.024 18429 3063 1 6 . 1 1 52 52 GLU H H 52 8.372 8.372 8.277 0.095 18429 3064 1 6 . 1 1 53 53 LYS N N 53 118.426 118.426 118.665 -0.239 18429 3065 1 6 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.149 -0.019 18429 3066 1 6 . 1 1 53 53 LYS C C 53 179.163 179.163 178.771 0.392 18429 3067 1 6 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.407 0.680 18429 3068 1 6 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.181 -0.031 18429 3069 1 6 . 1 1 53 53 LYS H H 53 7.766 7.766 7.663 0.103 18429 3070 1 6 . 1 1 54 54 PHE N N 54 120.522 120.522 122.171 -1.649 18429 3071 1 6 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.242 -0.140 18429 3072 1 6 . 1 1 54 54 PHE C C 54 176.920 176.920 176.995 -0.075 18429 3073 1 6 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.011 0.526 18429 3074 1 6 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.575 -0.163 18429 3075 1 6 . 1 1 54 54 PHE H H 54 7.990 7.990 8.423 -0.433 18429 3076 1 6 . 1 1 55 55 ARG N N 55 120.870 120.870 119.919 0.951 18429 3077 1 6 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.936 -0.110 18429 3078 1 6 . 1 1 55 55 ARG C C 55 178.383 178.383 177.925 0.458 18429 3079 1 6 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.742 0.218 18429 3080 1 6 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.775 2.340 18429 3081 1 6 . 1 1 55 55 ARG H H 55 8.774 8.774 8.124 0.650 18429 3082 1 6 . 1 1 56 56 ASP N N 56 119.776 119.776 119.225 0.551 18429 3083 1 6 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.358 -0.031 18429 3084 1 6 . 1 1 56 56 ASP C C 56 179.398 179.398 178.692 0.706 18429 3085 1 6 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.632 -0.076 18429 3086 1 6 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.739 -0.922 18429 3087 1 6 . 1 1 56 56 ASP H H 56 8.491 8.491 7.832 0.659 18429 3088 1 6 . 1 1 57 57 GLU N N 57 120.418 120.418 118.651 1.767 18429 3089 1 6 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.080 -0.027 18429 3090 1 6 . 1 1 57 57 GLU C C 57 179.708 179.708 178.650 1.058 18429 3091 1 6 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.253 0.641 18429 3092 1 6 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.397 -0.021 18429 3093 1 6 . 1 1 57 57 GLU H H 57 7.894 7.894 7.554 0.340 18429 3094 1 6 . 1 1 58 58 MET N N 58 119.674 119.674 120.265 -0.591 18429 3095 1 6 . 1 1 58 58 MET HA H 58 4.090 4.090 3.974 0.116 18429 3096 1 6 . 1 1 58 58 MET C C 58 178.137 178.137 177.996 0.141 18429 3097 1 6 . 1 1 58 58 MET CA C 58 58.568 58.568 57.972 0.596 18429 3098 1 6 . 1 1 58 58 MET CB C 58 31.846 31.846 32.280 -0.434 18429 3099 1 6 . 1 1 58 58 MET H H 58 8.352 8.352 8.022 0.330 18429 3100 1 6 . 1 1 59 59 GLU N N 59 119.770 119.770 118.572 1.198 18429 3101 1 6 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.965 -0.015 18429 3102 1 6 . 1 1 59 59 GLU C C 59 178.939 178.939 178.675 0.264 18429 3103 1 6 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.698 0.046 18429 3104 1 6 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.454 -0.277 18429 3105 1 6 . 1 1 59 59 GLU H H 59 8.717 8.717 7.861 0.856 18429 3106 1 6 . 1 1 60 60 GLN N N 60 117.895 117.895 119.599 -1.704 18429 3107 1 6 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.049 -0.078 18429 3108 1 6 . 1 1 60 60 GLN C C 60 178.052 178.052 178.613 -0.561 18429 3109 1 6 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.852 -0.598 18429 3110 1 6 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.597 -0.479 18429 3111 1 6 . 1 1 60 60 GLN H H 60 7.613 7.613 7.473 0.140 18429 3112 1 6 . 1 1 61 61 MET N N 61 118.464 118.464 115.732 2.732 18429 3113 1 6 . 1 1 61 61 MET HA H 61 4.080 4.080 4.276 -0.196 18429 3114 1 6 . 1 1 61 61 MET C C 61 178.545 178.545 178.368 0.177 18429 3115 1 6 . 1 1 61 61 MET CA C 61 58.972 58.972 58.285 0.687 18429 3116 1 6 . 1 1 61 61 MET CB C 61 32.309 32.309 32.425 -0.116 18429 3117 1 6 . 1 1 61 61 MET H H 61 7.943 7.943 7.972 -0.029 18429 3118 1 6 . 1 1 62 62 TYR N N 62 119.118 119.118 122.861 -3.743 18429 3119 1 6 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.423 -0.263 18429 3120 1 6 . 1 1 62 62 TYR C C 62 176.118 176.118 176.415 -0.297 18429 3121 1 6 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.965 -0.714 18429 3122 1 6 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.553 -0.164 18429 3123 1 6 . 1 1 62 62 TYR H H 62 8.313 8.313 7.953 0.360 18429 3124 1 6 . 1 1 63 63 LYS N N 63 117.899 117.899 117.114 0.785 18429 3125 1 6 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.841 -0.045 18429 3126 1 6 . 1 1 63 63 LYS C C 63 178.470 178.470 177.740 0.730 18429 3127 1 6 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.750 1.052 18429 3128 1 6 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.097 -0.079 18429 3129 1 6 . 1 1 63 63 LYS H H 63 7.806 7.806 7.729 0.077 18429 3130 1 6 . 1 1 64 64 ASP N N 64 116.931 116.931 118.955 -2.024 18429 3131 1 6 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.464 0.021 18429 3132 1 6 . 1 1 64 64 ASP C C 64 176.460 176.460 175.928 0.532 18429 3133 1 6 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.489 0.151 18429 3134 1 6 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.635 -0.438 18429 3135 1 6 . 1 1 64 64 ASP H H 64 7.771 7.771 7.756 0.015 18429 3136 1 6 . 1 1 65 65 ALA N N 65 121.417 121.417 120.993 0.424 18429 3137 1 6 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.669 -0.077 18429 3138 1 6 . 1 1 65 65 ALA C C 65 180.460 180.460 174.641 5.819 18429 3139 1 6 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.636 0.587 18429 3140 1 6 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.951 -1.676 18429 3141 1 6 . 1 1 65 65 ALA H H 65 7.536 7.536 7.463 0.073 18429 3142 1 6 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.298 -0.326 18429 3143 1 6 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.055 2.004 18429 3144 1 6 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.253 1.124 18429 3145 1 6 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.713 -0.263 18429 3146 1 6 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.523 3.819 18429 3147 1 6 . 1 1 67 67 ASN CB C 67 40.583 40.583 37.304 3.279 18429 3148 1 6 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.923 0.364 18429 3149 1 6 . 1 1 68 68 ALA C C 68 180.039 180.039 178.752 1.287 18429 3150 1 6 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.766 0.192 18429 3151 1 6 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.194 1.643 18429 3152 1 6 . 1 1 69 69 VAL N N 69 119.699 119.699 120.731 -1.032 18429 3153 1 6 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.741 0.068 18429 3154 1 6 . 1 1 69 69 VAL C C 69 178.578 178.578 177.546 1.032 18429 3155 1 6 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.575 0.335 18429 3156 1 6 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.231 0.090 18429 3157 1 6 . 1 1 69 69 VAL H H 69 7.968 7.968 8.147 -0.179 18429 3158 1 6 . 1 1 70 70 MET N N 70 119.158 119.158 118.794 0.364 18429 3159 1 6 . 1 1 70 70 MET HA H 70 4.411 4.411 4.060 0.351 18429 3160 1 6 . 1 1 70 70 MET C C 70 177.858 177.858 177.658 0.200 18429 3161 1 6 . 1 1 70 70 MET CA C 70 56.540 56.540 58.880 -2.340 18429 3162 1 6 . 1 1 70 70 MET CB C 70 31.927 31.927 32.279 -0.352 18429 3163 1 6 . 1 1 70 70 MET H H 70 8.195 8.195 7.641 0.554 18429 3164 1 6 . 1 1 71 71 GLU N N 71 119.109 119.109 119.779 -0.670 18429 3165 1 6 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.468 0.054 18429 3166 1 6 . 1 1 71 71 GLU C C 71 178.949 178.949 178.382 0.567 18429 3167 1 6 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.771 0.030 18429 3168 1 6 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.235 0.452 18429 3169 1 6 . 1 1 71 71 GLU H H 71 8.122 8.122 7.775 0.347 18429 3170 1 6 . 1 1 72 72 GLN N N 72 118.471 118.471 119.202 -0.731 18429 3171 1 6 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.090 0.032 18429 3172 1 6 . 1 1 72 72 GLN C C 72 178.597 178.597 178.561 0.036 18429 3173 1 6 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.581 -0.066 18429 3174 1 6 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.189 -0.078 18429 3175 1 6 . 1 1 72 72 GLN H H 72 7.662 7.662 7.742 -0.080 18429 3176 1 6 . 1 1 73 73 LEU N N 73 120.880 120.880 120.162 0.718 18429 3177 1 6 . 1 1 73 73 LEU HA H 73 4.044 4.044 3.951 0.093 18429 3178 1 6 . 1 1 73 73 LEU C C 73 178.992 178.992 179.045 -0.053 18429 3179 1 6 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.932 0.115 18429 3180 1 6 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.648 -0.271 18429 3181 1 6 . 1 1 73 73 LEU H H 73 8.170 8.170 8.239 -0.069 18429 3182 1 6 . 1 1 74 74 LEU N N 74 119.628 119.628 119.898 -0.270 18429 3183 1 6 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.793 0.159 18429 3184 1 6 . 1 1 74 74 LEU C C 74 179.088 179.088 178.506 0.582 18429 3185 1 6 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.019 -0.245 18429 3186 1 6 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.643 -0.576 18429 3187 1 6 . 1 1 74 74 LEU H H 74 8.396 8.396 7.551 0.845 18429 3188 1 6 . 1 1 75 75 GLU N N 75 119.588 119.588 118.715 0.873 18429 3189 1 6 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.860 0.185 18429 3190 1 6 . 1 1 75 75 GLU C C 75 179.772 179.772 178.877 0.895 18429 3191 1 6 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.788 -0.527 18429 3192 1 6 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.446 -0.579 18429 3193 1 6 . 1 1 75 75 GLU H H 75 7.622 7.622 8.174 -0.552 18429 3194 1 6 . 1 1 76 76 GLU N N 76 118.750 118.750 118.951 -0.201 18429 3195 1 6 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.092 -0.003 18429 3196 1 6 . 1 1 76 76 GLU C C 76 180.103 180.103 179.343 0.760 18429 3197 1 6 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.849 0.260 18429 3198 1 6 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.231 0.134 18429 3199 1 6 . 1 1 76 76 GLU H H 76 8.127 8.127 7.866 0.261 18429 3200 1 6 . 1 1 77 77 ILE N N 77 121.044 121.044 120.256 0.788 18429 3201 1 6 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.672 0.152 18429 3202 1 6 . 1 1 77 77 ILE C C 77 177.219 177.219 178.048 -0.829 18429 3203 1 6 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.501 -0.955 18429 3204 1 6 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.829 -0.682 18429 3205 1 6 . 1 1 77 77 ILE H H 77 8.715 8.715 8.025 0.690 18429 3206 1 6 . 1 1 78 78 GLU N N 78 121.847 121.847 120.318 1.529 18429 3207 1 6 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.993 0.049 18429 3208 1 6 . 1 1 78 78 GLU C C 78 179.644 179.644 178.810 0.834 18429 3209 1 6 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.782 -0.296 18429 3210 1 6 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.461 -0.475 18429 3211 1 6 . 1 1 78 78 GLU H H 78 8.161 8.161 7.861 0.300 18429 3212 1 6 . 1 1 79 79 LYS N N 79 118.842 118.842 119.377 -0.535 18429 3213 1 6 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.065 -0.103 18429 3214 1 6 . 1 1 79 79 LYS C C 79 179.729 179.729 179.174 0.555 18429 3215 1 6 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.399 0.342 18429 3216 1 6 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.354 0.076 18429 3217 1 6 . 1 1 79 79 LYS H H 79 7.756 7.756 7.945 -0.189 18429 3218 1 6 . 1 1 80 80 LEU N N 80 120.440 120.440 120.129 0.311 18429 3219 1 6 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.123 -0.070 18429 3220 1 6 . 1 1 80 80 LEU C C 80 178.939 178.939 178.610 0.329 18429 3221 1 6 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.237 0.718 18429 3222 1 6 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.160 0.516 18429 3223 1 6 . 1 1 80 80 LEU H H 80 7.805 7.805 8.170 -0.365 18429 3224 1 6 . 1 1 81 81 LEU N N 81 119.519 119.519 120.385 -0.866 18429 3225 1 6 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.855 0.100 18429 3226 1 6 . 1 1 81 81 LEU C C 81 179.366 179.366 178.905 0.461 18429 3227 1 6 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.298 -0.522 18429 3228 1 6 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.581 0.036 18429 3229 1 6 . 1 1 81 81 LEU H H 81 8.423 8.423 7.638 0.785 18429 3230 1 6 . 1 1 82 82 LYS N N 82 119.070 119.070 117.756 1.314 18429 3231 1 6 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.984 0.147 18429 3232 1 6 . 1 1 82 82 LYS C C 82 179.237 179.237 178.959 0.278 18429 3233 1 6 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.638 -0.766 18429 3234 1 6 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.105 0.107 18429 3235 1 6 . 1 1 82 82 LYS H H 82 7.804 7.804 7.854 -0.050 18429 3236 1 6 . 1 1 83 83 LYS N N 83 119.647 119.647 119.165 0.482 18429 3237 1 6 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.196 0.045 18429 3238 1 6 . 1 1 83 83 LYS C C 83 178.234 178.234 178.045 0.189 18429 3239 1 6 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.833 -1.505 18429 3240 1 6 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.520 -0.331 18429 3241 1 6 . 1 1 83 83 LYS H H 83 7.737 7.737 7.805 -0.068 18429 3242 1 6 . 1 1 84 84 ALA N N 84 122.121 122.121 118.922 3.199 18429 3243 1 6 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.397 -0.327 18429 3244 1 6 . 1 1 84 84 ALA C C 84 179.003 179.003 177.302 1.701 18429 3245 1 6 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.956 0.966 18429 3246 1 6 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.993 -1.818 18429 3247 1 6 . 1 1 84 84 ALA H H 84 8.259 8.259 7.754 0.505 18429 3248 1 6 . 1 1 85 85 GLY N N 85 105.518 105.518 106.245 -0.727 18429 3249 1 6 . 1 1 85 85 GLY C C 85 174.759 174.759 173.451 1.308 18429 3250 1 6 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.490 0.246 18429 3251 1 6 . 1 1 85 85 GLY H H 85 8.191 8.191 7.649 0.542 18429 3252 1 6 . 1 1 86 86 SER N N 86 114.680 114.680 115.848 -1.168 18429 3253 1 6 . 1 1 86 86 SER HA H 86 4.512 4.512 4.225 0.287 18429 3254 1 6 . 1 1 86 86 SER C C 86 174.452 174.452 174.405 0.047 18429 3255 1 6 . 1 1 86 86 SER CA C 86 58.641 58.641 60.000 -1.359 18429 3256 1 6 . 1 1 86 86 SER CB C 86 63.751 63.751 62.395 1.357 18429 3257 1 6 . 1 1 86 86 SER H H 86 7.884 7.884 8.428 -0.544 18429 3258 1 6 . 1 1 87 87 LEU N N 87 122.300 122.300 115.734 6.566 18429 3259 1 6 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.049 0.283 18429 3260 1 6 . 1 1 87 87 LEU C C 87 176.845 176.845 175.820 1.025 18429 3261 1 6 . 1 1 87 87 LEU CA C 87 54.992 54.992 56.079 -1.087 18429 3262 1 6 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.162 0.762 18429 3263 1 6 . 1 1 87 87 LEU H H 87 7.806 7.806 8.097 -0.291 18429 3264 1 6 . 1 1 88 88 VAL N N 88 120.869 120.869 119.172 1.697 18429 3265 1 6 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.407 -0.020 18429 3266 1 6 . 1 1 88 88 VAL C C 88 174.367 174.367 173.759 0.608 18429 3267 1 6 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.389 -0.633 18429 3268 1 6 . 1 1 88 88 VAL CB C 88 32.378 32.378 34.160 -1.782 18429 3269 1 6 . 1 1 88 88 VAL H H 88 7.849 7.849 7.555 0.294 18429 3270 1 6 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.964 -0.552 18429 3271 1 6 . 1 1 89 89 PRO C C 89 176.898 176.898 175.796 1.102 18429 3272 1 6 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.462 -0.533 18429 3273 1 6 . 1 1 89 89 PRO CB C 89 31.926 31.926 30.860 1.067 18429 3274 1 6 . 1 1 90 90 ARG N N 90 121.893 121.893 126.020 -4.127 18429 3275 1 6 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.418 -0.127 18429 3276 1 6 . 1 1 90 90 ARG C C 90 177.081 177.081 175.495 1.586 18429 3277 1 6 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.473 -0.148 18429 3278 1 6 . 1 1 90 90 ARG CB C 90 30.554 30.554 32.269 -1.715 18429 3279 1 6 . 1 1 90 90 ARG H H 90 8.528 8.528 8.627 -0.099 18429 3280 1 6 . 1 1 91 91 GLY N N 91 109.932 109.932 106.612 3.320 18429 3281 1 6 . 1 1 91 91 GLY C C 91 174.324 174.324 172.885 1.439 18429 3282 1 6 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.926 0.367 18429 3283 1 6 . 1 1 91 91 GLY H H 91 8.551 8.551 8.264 0.287 18429 3284 1 6 . 1 1 92 92 SER N N 92 115.612 115.612 116.177 -0.565 18429 3285 1 6 . 1 1 92 92 SER HA H 92 4.407 4.407 4.656 -0.249 18429 3286 1 6 . 1 1 92 92 SER C C 92 174.463 174.463 174.196 0.267 18429 3287 1 6 . 1 1 92 92 SER CA C 92 58.310 58.310 59.142 -0.832 18429 3288 1 6 . 1 1 92 92 SER CB C 92 63.616 63.616 63.906 -0.289 18429 3289 1 6 . 1 1 92 92 SER H H 92 8.183 8.183 8.054 0.129 18429 3290 1 6 . 1 1 93 93 TYR N N 93 122.140 122.140 122.847 -0.707 18429 3291 1 6 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.672 -0.166 18429 3292 1 6 . 1 1 93 93 TYR C C 93 175.659 175.659 174.539 1.120 18429 3293 1 6 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.290 0.815 18429 3294 1 6 . 1 1 93 93 TYR CB C 93 38.291 38.291 39.685 -1.394 18429 3295 1 6 . 1 1 93 93 TYR H H 93 8.206 8.206 8.230 -0.024 18429 3296 1 6 . 1 1 94 94 LEU N N 94 123.025 123.025 124.827 -1.802 18429 3297 1 6 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.326 -0.127 18429 3298 1 6 . 1 1 94 94 LEU C C 94 177.037 177.037 176.607 0.430 18429 3299 1 6 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.533 0.412 18429 3300 1 6 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.490 -0.324 18429 3301 1 6 . 1 1 94 94 LEU H H 94 8.007 8.007 7.911 0.096 18429 3302 1 6 . 1 1 95 95 GLU N N 95 120.848 120.848 123.555 -2.707 18429 3303 1 6 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.151 -0.035 18429 3304 1 6 . 1 1 95 95 GLU C C 95 176.268 176.268 175.709 0.559 18429 3305 1 6 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.363 0.350 18429 3306 1 6 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.756 0.290 18429 3307 1 6 . 1 1 95 95 GLU H H 95 8.141 8.141 8.762 -0.621 18429 3308 1 6 . 1 1 96 96 HIS N N 96 119.288 119.288 115.443 3.845 18429 3309 1 6 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.008 0.562 18429 3310 1 6 . 1 1 96 96 HIS C C 96 174.100 174.100 173.758 0.342 18429 3311 1 6 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.862 -0.023 18429 3312 1 6 . 1 1 96 96 HIS CB C 96 30.404 30.404 28.581 1.823 18429 3313 1 6 . 1 1 96 96 HIS H H 96 8.144 8.144 7.778 0.366 18429 3314 1 6 . 1 1 97 97 HIS N N 97 125.622 125.622 119.992 5.630 18429 3315 1 6 . 1 1 97 97 HIS C C 97 179.480 179.480 175.058 4.422 18429 3316 1 6 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.922 1.525 18429 3317 1 6 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.292 1.462 18429 3318 1 6 . 1 1 97 97 HIS H H 97 8.017 8.017 8.402 -0.385 18429 3319 1 7 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.210 0.106 18429 3320 1 7 . 1 1 2 2 GLN C C 2 177.028 177.028 176.423 0.605 18429 3321 1 7 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.517 0.283 18429 3322 1 7 . 1 1 2 2 GLN CB C 2 28.884 28.884 28.446 0.438 18429 3323 1 7 . 1 1 3 3 GLU N N 3 123.654 123.654 124.308 -0.654 18429 3324 1 7 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.914 0.163 18429 3325 1 7 . 1 1 3 3 GLU C C 3 177.945 177.945 175.859 2.086 18429 3326 1 7 . 1 1 3 3 GLU CA C 3 59.110 59.110 58.932 0.178 18429 3327 1 7 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.859 0.484 18429 3328 1 7 . 1 1 3 3 GLU H H 3 8.995 8.995 8.623 0.372 18429 3329 1 7 . 1 1 4 4 GLU N N 4 119.237 119.237 119.862 -0.625 18429 3330 1 7 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.576 -0.507 18429 3331 1 7 . 1 1 4 4 GLU C C 4 178.815 178.815 176.180 2.635 18429 3332 1 7 . 1 1 4 4 GLU CA C 4 59.152 59.152 55.091 4.061 18429 3333 1 7 . 1 1 4 4 GLU CB C 4 29.218 29.218 30.348 -1.130 18429 3334 1 7 . 1 1 4 4 GLU H H 4 8.837 8.837 8.191 0.646 18429 3335 1 7 . 1 1 5 5 ARG N N 5 120.052 120.052 122.166 -2.114 18429 3336 1 7 . 1 1 5 5 ARG HA H 5 3.951 3.951 3.888 0.063 18429 3337 1 7 . 1 1 5 5 ARG C C 5 177.324 177.324 177.421 -0.097 18429 3338 1 7 . 1 1 5 5 ARG CA C 5 59.241 59.241 60.066 -0.825 18429 3339 1 7 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.183 -0.202 18429 3340 1 7 . 1 1 5 5 ARG H H 5 7.884 7.884 8.019 -0.135 18429 3341 1 7 . 1 1 6 6 LYS N N 6 119.327 119.327 118.332 0.995 18429 3342 1 7 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.036 -0.056 18429 3343 1 7 . 1 1 6 6 LYS C C 6 178.939 178.939 178.724 0.215 18429 3344 1 7 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.370 -0.038 18429 3345 1 7 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.680 0.474 18429 3346 1 7 . 1 1 6 6 LYS H H 6 7.998 7.998 8.413 -0.415 18429 3347 1 7 . 1 1 7 7 LYS N N 7 117.908 117.908 119.316 -1.408 18429 3348 1 7 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.114 -0.018 18429 3349 1 7 . 1 1 7 7 LYS C C 7 179.332 179.332 179.314 0.018 18429 3350 1 7 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.057 0.710 18429 3351 1 7 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.826 0.471 18429 3352 1 7 . 1 1 7 7 LYS H H 7 7.917 7.917 7.583 0.334 18429 3353 1 7 . 1 1 8 8 LEU N N 8 120.724 120.724 119.776 0.948 18429 3354 1 7 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.005 0.044 18429 3355 1 7 . 1 1 8 8 LEU C C 8 178.490 178.490 178.776 -0.286 18429 3356 1 7 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.531 -0.842 18429 3357 1 7 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.434 0.171 18429 3358 1 7 . 1 1 8 8 LEU H H 8 7.686 7.686 7.759 -0.073 18429 3359 1 7 . 1 1 9 9 LEU N N 9 118.886 118.886 115.192 3.694 18429 3360 1 7 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.089 -0.151 18429 3361 1 7 . 1 1 9 9 LEU C C 9 178.981 178.981 178.766 0.215 18429 3362 1 7 . 1 1 9 9 LEU CA C 9 57.958 57.958 58.143 -0.185 18429 3363 1 7 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.636 0.206 18429 3364 1 7 . 1 1 9 9 LEU H H 9 8.158 8.158 7.694 0.464 18429 3365 1 7 . 1 1 10 10 GLU N N 10 119.000 119.000 120.566 -1.566 18429 3366 1 7 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.959 0.093 18429 3367 1 7 . 1 1 10 10 GLU C C 10 179.601 179.601 179.211 0.390 18429 3368 1 7 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.639 -0.361 18429 3369 1 7 . 1 1 10 10 GLU CB C 10 29.286 29.286 28.950 0.336 18429 3370 1 7 . 1 1 10 10 GLU H H 10 8.069 8.069 8.473 -0.404 18429 3371 1 7 . 1 1 11 11 LYS N N 11 119.446 119.446 119.598 -0.152 18429 3372 1 7 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.147 -0.064 18429 3373 1 7 . 1 1 11 11 LYS C C 11 178.971 178.971 178.997 -0.026 18429 3374 1 7 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.723 0.049 18429 3375 1 7 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.731 -0.735 18429 3376 1 7 . 1 1 11 11 LYS H H 11 7.676 7.676 7.520 0.156 18429 3377 1 7 . 1 1 12 12 LEU N N 12 120.017 120.017 121.138 -1.121 18429 3378 1 7 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.976 -0.092 18429 3379 1 7 . 1 1 12 12 LEU C C 12 177.977 177.977 178.565 -0.588 18429 3380 1 7 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.090 -0.365 18429 3381 1 7 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.310 0.267 18429 3382 1 7 . 1 1 12 12 LEU H H 12 8.378 8.378 7.949 0.429 18429 3383 1 7 . 1 1 13 13 GLU N N 13 117.914 117.914 118.479 -0.565 18429 3384 1 7 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.913 -0.217 18429 3385 1 7 . 1 1 13 13 GLU C C 13 177.934 177.934 179.377 -1.443 18429 3386 1 7 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.523 0.593 18429 3387 1 7 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.920 0.478 18429 3388 1 7 . 1 1 13 13 GLU H H 13 8.458 8.458 8.153 0.305 18429 3389 1 7 . 1 1 14 14 LYS N N 14 117.629 117.629 119.363 -1.734 18429 3390 1 7 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.159 -0.024 18429 3391 1 7 . 1 1 14 14 LYS C C 14 179.227 179.227 179.270 -0.043 18429 3392 1 7 . 1 1 14 14 LYS CA C 14 58.866 58.866 57.786 1.080 18429 3393 1 7 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.094 0.033 18429 3394 1 7 . 1 1 14 14 LYS H H 14 7.365 7.365 7.300 0.065 18429 3395 1 7 . 1 1 15 15 ILE N N 15 119.583 119.583 121.339 -1.756 18429 3396 1 7 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.684 0.093 18429 3397 1 7 . 1 1 15 15 ILE C C 15 178.009 178.009 177.782 0.227 18429 3398 1 7 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.592 -0.703 18429 3399 1 7 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.932 0.268 18429 3400 1 7 . 1 1 15 15 ILE H H 15 7.726 7.726 7.997 -0.271 18429 3401 1 7 . 1 1 16 16 LEU N N 16 118.601 118.601 119.216 -0.615 18429 3402 1 7 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.780 0.073 18429 3403 1 7 . 1 1 16 16 LEU C C 16 179.729 179.729 178.918 0.811 18429 3404 1 7 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.078 -0.236 18429 3405 1 7 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.940 -0.303 18429 3406 1 7 . 1 1 16 16 LEU H H 16 8.372 8.372 8.024 0.348 18429 3407 1 7 . 1 1 17 17 ASP N N 17 120.008 120.008 118.491 1.517 18429 3408 1 7 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.302 0.034 18429 3409 1 7 . 1 1 17 17 ASP C C 17 178.148 178.148 178.628 -0.480 18429 3410 1 7 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.407 -0.118 18429 3411 1 7 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.960 -0.692 18429 3412 1 7 . 1 1 17 17 ASP H H 17 8.192 8.192 8.037 0.155 18429 3413 1 7 . 1 1 18 18 GLU N N 18 119.362 119.362 118.915 0.447 18429 3414 1 7 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.208 -0.057 18429 3415 1 7 . 1 1 18 18 GLU C C 18 179.653 179.653 179.186 0.467 18429 3416 1 7 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.638 0.617 18429 3417 1 7 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.949 -0.749 18429 3418 1 7 . 1 1 18 18 GLU H H 18 7.860 7.860 7.710 0.150 18429 3419 1 7 . 1 1 19 19 VAL N N 19 118.483 118.483 120.118 -1.635 18429 3420 1 7 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.767 0.059 18429 3421 1 7 . 1 1 19 19 VAL C C 19 177.496 177.496 177.896 -0.400 18429 3422 1 7 . 1 1 19 19 VAL CA C 19 64.897 64.897 67.161 -2.264 18429 3423 1 7 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.880 -0.071 18429 3424 1 7 . 1 1 19 19 VAL H H 19 8.416 8.416 8.319 0.097 18429 3425 1 7 . 1 1 20 20 THR N N 20 112.904 112.904 111.475 1.429 18429 3426 1 7 . 1 1 20 20 THR HA H 20 3.856 3.856 3.960 -0.104 18429 3427 1 7 . 1 1 20 20 THR C C 20 175.894 175.894 175.943 -0.049 18429 3428 1 7 . 1 1 20 20 THR CA C 20 65.696 65.696 65.906 -0.210 18429 3429 1 7 . 1 1 20 20 THR CB C 20 68.587 68.587 68.842 -0.255 18429 3430 1 7 . 1 1 20 20 THR H H 20 7.985 7.985 8.007 -0.022 18429 3431 1 7 . 1 1 21 21 ASP N N 21 120.510 120.510 120.891 -0.381 18429 3432 1 7 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.475 -0.032 18429 3433 1 7 . 1 1 21 21 ASP C C 21 177.358 177.358 177.823 -0.465 18429 3434 1 7 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.231 0.137 18429 3435 1 7 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.969 -0.096 18429 3436 1 7 . 1 1 21 21 ASP H H 21 7.935 7.935 7.664 0.271 18429 3437 1 7 . 1 1 22 22 GLY N N 22 106.730 106.730 106.785 -0.055 18429 3438 1 7 . 1 1 22 22 GLY C C 22 174.004 174.004 174.751 -0.747 18429 3439 1 7 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.972 -0.145 18429 3440 1 7 . 1 1 22 22 GLY H H 22 7.939 7.939 7.789 0.150 18429 3441 1 7 . 1 1 23 23 ALA N N 23 124.286 124.286 125.658 -1.372 18429 3442 1 7 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.522 -0.014 18429 3443 1 7 . 1 1 23 23 ALA C C 23 174.921 174.921 175.547 -0.626 18429 3444 1 7 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.953 -0.602 18429 3445 1 7 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.365 -0.861 18429 3446 1 7 . 1 1 23 23 ALA H H 23 7.531 7.531 7.416 0.115 18429 3447 1 7 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.477 0.086 18429 3448 1 7 . 1 1 24 24 PRO C C 24 177.571 177.571 177.593 -0.022 18429 3449 1 7 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.043 0.447 18429 3450 1 7 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.380 -0.282 18429 3451 1 7 . 1 1 25 25 ASP N N 25 122.828 122.828 120.965 1.863 18429 3452 1 7 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.226 0.029 18429 3453 1 7 . 1 1 25 25 ASP C C 25 178.298 178.298 178.022 0.276 18429 3454 1 7 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.605 0.458 18429 3455 1 7 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.282 0.235 18429 3456 1 7 . 1 1 25 25 ASP H H 25 8.779 8.779 8.739 0.040 18429 3457 1 7 . 1 1 26 26 GLU N N 26 117.055 117.055 119.394 -2.339 18429 3458 1 7 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.154 -0.019 18429 3459 1 7 . 1 1 26 26 GLU C C 26 177.454 177.454 178.394 -0.940 18429 3460 1 7 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.556 0.668 18429 3461 1 7 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.305 -0.751 18429 3462 1 7 . 1 1 26 26 GLU H H 26 9.324 9.324 8.627 0.697 18429 3463 1 7 . 1 1 27 27 ALA N N 27 120.789 120.789 122.159 -1.370 18429 3464 1 7 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.077 0.334 18429 3465 1 7 . 1 1 27 27 ALA C C 27 178.065 178.065 179.157 -1.092 18429 3466 1 7 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.300 -1.421 18429 3467 1 7 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.401 1.496 18429 3468 1 7 . 1 1 27 27 ALA H H 27 7.474 7.474 8.089 -0.615 18429 3469 1 7 . 1 1 28 28 ARG N N 28 118.872 118.872 118.158 0.714 18429 3470 1 7 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.893 -0.218 18429 3471 1 7 . 1 1 28 28 ARG C C 28 177.550 177.550 177.871 -0.321 18429 3472 1 7 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.711 0.891 18429 3473 1 7 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.136 -0.592 18429 3474 1 7 . 1 1 28 28 ARG H H 28 7.803 7.803 8.238 -0.435 18429 3475 1 7 . 1 1 29 29 GLU N N 29 117.512 117.512 118.578 -1.066 18429 3476 1 7 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.046 -0.004 18429 3477 1 7 . 1 1 29 29 GLU C C 29 179.122 179.122 179.133 -0.011 18429 3478 1 7 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.485 0.122 18429 3479 1 7 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.784 0.457 18429 3480 1 7 . 1 1 29 29 GLU H H 29 8.490 8.490 7.786 0.704 18429 3481 1 7 . 1 1 30 30 ARG N N 30 119.240 119.240 118.032 1.208 18429 3482 1 7 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.143 -0.009 18429 3483 1 7 . 1 1 30 30 ARG C C 30 179.248 179.248 179.049 0.199 18429 3484 1 7 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.246 0.583 18429 3485 1 7 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.530 0.334 18429 3486 1 7 . 1 1 30 30 ARG H H 30 7.789 7.789 7.527 0.262 18429 3487 1 7 . 1 1 31 31 ILE N N 31 120.920 120.920 120.493 0.427 18429 3488 1 7 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.857 -0.119 18429 3489 1 7 . 1 1 31 31 ILE C C 31 177.089 177.089 178.153 -1.064 18429 3490 1 7 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.453 -1.635 18429 3491 1 7 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.881 -0.796 18429 3492 1 7 . 1 1 31 31 ILE H H 31 8.256 8.256 7.750 0.506 18429 3493 1 7 . 1 1 32 32 GLU N N 32 120.281 120.281 120.497 -0.216 18429 3494 1 7 . 1 1 32 32 GLU HA H 32 3.936 3.936 4.038 -0.102 18429 3495 1 7 . 1 1 32 32 GLU C C 32 179.429 179.429 179.205 0.224 18429 3496 1 7 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.950 -0.391 18429 3497 1 7 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.485 -0.082 18429 3498 1 7 . 1 1 32 32 GLU H H 32 8.697 8.697 8.453 0.244 18429 3499 1 7 . 1 1 33 33 LYS N N 33 119.737 119.737 119.102 0.635 18429 3500 1 7 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.174 -0.116 18429 3501 1 7 . 1 1 33 33 LYS C C 33 178.159 178.159 179.294 -1.135 18429 3502 1 7 . 1 1 33 33 LYS CA C 33 59.411 59.411 58.442 0.969 18429 3503 1 7 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.028 0.022 18429 3504 1 7 . 1 1 33 33 LYS H H 33 7.764 7.764 7.669 0.095 18429 3505 1 7 . 1 1 34 34 LEU N N 34 120.133 120.133 120.978 -0.845 18429 3506 1 7 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.131 0.101 18429 3507 1 7 . 1 1 34 34 LEU C C 34 178.629 178.629 177.711 0.918 18429 3508 1 7 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.280 0.227 18429 3509 1 7 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.762 0.035 18429 3510 1 7 . 1 1 34 34 LEU H H 34 7.790 7.790 7.758 0.032 18429 3511 1 7 . 1 1 35 35 ALA N N 35 119.492 119.492 121.638 -2.146 18429 3512 1 7 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.824 -0.056 18429 3513 1 7 . 1 1 35 35 ALA C C 35 179.297 179.297 179.446 -0.149 18429 3514 1 7 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.314 -0.291 18429 3515 1 7 . 1 1 35 35 ALA CB C 35 18.191 18.191 17.956 0.235 18429 3516 1 7 . 1 1 35 35 ALA H H 35 8.634 8.634 8.285 0.349 18429 3517 1 7 . 1 1 36 36 LYS N N 36 118.470 118.470 118.412 0.058 18429 3518 1 7 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.951 -0.020 18429 3519 1 7 . 1 1 36 36 LYS C C 36 178.223 178.223 178.322 -0.099 18429 3520 1 7 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.742 -0.547 18429 3521 1 7 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.424 -0.369 18429 3522 1 7 . 1 1 36 36 LYS H H 36 7.704 7.704 8.066 -0.362 18429 3523 1 7 . 1 1 37 37 ASP N N 37 120.075 120.075 118.988 1.087 18429 3524 1 7 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.592 -0.189 18429 3525 1 7 . 1 1 37 37 ASP C C 37 179.334 179.334 178.873 0.461 18429 3526 1 7 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.173 0.008 18429 3527 1 7 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.808 -0.831 18429 3528 1 7 . 1 1 37 37 ASP H H 37 8.203 8.203 7.595 0.608 18429 3529 1 7 . 1 1 38 38 VAL N N 38 118.202 118.202 119.207 -1.005 18429 3530 1 7 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.576 0.047 18429 3531 1 7 . 1 1 38 38 VAL C C 38 177.017 177.017 177.855 -0.838 18429 3532 1 7 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.102 -0.434 18429 3533 1 7 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.175 0.062 18429 3534 1 7 . 1 1 38 38 VAL H H 38 8.215 8.215 8.102 0.113 18429 3535 1 7 . 1 1 39 39 LYS N N 39 119.236 119.236 120.096 -0.860 18429 3536 1 7 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.934 -0.124 18429 3537 1 7 . 1 1 39 39 LYS C C 39 178.575 178.575 179.053 -0.478 18429 3538 1 7 . 1 1 39 39 LYS CA C 39 59.713 59.713 60.195 -0.482 18429 3539 1 7 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.974 0.117 18429 3540 1 7 . 1 1 39 39 LYS H H 39 7.780 7.780 7.478 0.302 18429 3541 1 7 . 1 1 40 40 ASP N N 40 118.227 118.227 119.405 -1.178 18429 3542 1 7 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.394 0.058 18429 3543 1 7 . 1 1 40 40 ASP C C 40 178.137 178.137 178.591 -0.454 18429 3544 1 7 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.709 -1.286 18429 3545 1 7 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.534 -0.124 18429 3546 1 7 . 1 1 40 40 ASP H H 40 8.273 8.273 7.791 0.482 18429 3547 1 7 . 1 1 41 41 GLU N N 41 119.896 119.896 119.842 0.054 18429 3548 1 7 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.221 0.010 18429 3549 1 7 . 1 1 41 41 GLU C C 41 177.849 177.849 179.064 -1.215 18429 3550 1 7 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.202 -0.817 18429 3551 1 7 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.415 0.316 18429 3552 1 7 . 1 1 41 41 GLU H H 41 7.875 7.875 7.525 0.350 18429 3553 1 7 . 1 1 42 42 LEU N N 42 119.906 119.906 119.116 0.790 18429 3554 1 7 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.050 0.074 18429 3555 1 7 . 1 1 42 42 LEU C C 42 178.276 178.276 179.856 -1.580 18429 3556 1 7 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.816 -1.103 18429 3557 1 7 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.612 0.535 18429 3558 1 7 . 1 1 42 42 LEU H H 42 7.952 7.952 8.434 -0.482 18429 3559 1 7 . 1 1 43 43 GLU N N 43 117.735 117.735 120.226 -2.491 18429 3560 1 7 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.176 -0.041 18429 3561 1 7 . 1 1 43 43 GLU C C 43 177.582 177.582 177.901 -0.319 18429 3562 1 7 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.810 -0.006 18429 3563 1 7 . 1 1 43 43 GLU CB C 43 29.571 29.571 29.904 -0.333 18429 3564 1 7 . 1 1 43 43 GLU H H 43 8.020 8.020 7.895 0.125 18429 3565 1 7 . 1 1 44 44 GLU N N 44 116.308 116.308 119.006 -2.698 18429 3566 1 7 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.256 0.160 18429 3567 1 7 . 1 1 44 44 GLU C C 44 177.133 177.133 177.360 -0.227 18429 3568 1 7 . 1 1 44 44 GLU CA C 44 56.448 56.448 57.195 -0.747 18429 3569 1 7 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.151 0.963 18429 3570 1 7 . 1 1 44 44 GLU H H 44 8.128 8.128 8.167 -0.039 18429 3571 1 7 . 1 1 45 45 GLY N N 45 109.450 109.450 108.173 1.277 18429 3572 1 7 . 1 1 45 45 GLY C C 45 173.685 173.685 173.212 0.473 18429 3573 1 7 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.381 0.993 18429 3574 1 7 . 1 1 45 45 GLY H H 45 8.156 8.156 8.298 -0.142 18429 3575 1 7 . 1 1 46 46 ASP N N 46 120.995 120.995 120.123 0.872 18429 3576 1 7 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.578 0.110 18429 3577 1 7 . 1 1 46 46 ASP C C 46 176.375 176.375 176.150 0.225 18429 3578 1 7 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.529 -0.904 18429 3579 1 7 . 1 1 46 46 ASP CB C 46 41.207 41.207 42.005 -0.798 18429 3580 1 7 . 1 1 46 46 ASP H H 46 8.467 8.467 8.480 -0.013 18429 3581 1 7 . 1 1 47 47 ALA N N 47 124.626 124.626 127.352 -2.726 18429 3582 1 7 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.489 -0.366 18429 3583 1 7 . 1 1 47 47 ALA C C 47 178.084 178.084 178.140 -0.056 18429 3584 1 7 . 1 1 47 47 ALA CA C 47 53.941 53.941 52.379 1.562 18429 3585 1 7 . 1 1 47 47 ALA CB C 47 18.984 18.984 20.012 -1.028 18429 3586 1 7 . 1 1 47 47 ALA H H 47 8.483 8.483 8.524 -0.041 18429 3587 1 7 . 1 1 48 48 LYS N N 48 118.214 118.214 121.228 -3.014 18429 3588 1 7 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.890 -0.089 18429 3589 1 7 . 1 1 48 48 LYS C C 48 177.582 177.582 177.882 -0.300 18429 3590 1 7 . 1 1 48 48 LYS CA C 48 60.112 60.112 60.114 -0.002 18429 3591 1 7 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.423 -0.264 18429 3592 1 7 . 1 1 48 48 LYS H H 48 8.349 8.349 7.912 0.437 18429 3593 1 7 . 1 1 49 49 ASN N N 49 116.387 116.387 117.867 -1.480 18429 3594 1 7 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.700 -0.192 18429 3595 1 7 . 1 1 49 49 ASN C C 49 177.753 177.753 177.725 0.028 18429 3596 1 7 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.924 0.057 18429 3597 1 7 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.025 0.341 18429 3598 1 7 . 1 1 49 49 ASN H H 49 8.184 8.184 8.310 -0.126 18429 3599 1 7 . 1 1 50 50 MET N N 50 118.627 118.627 117.289 1.338 18429 3600 1 7 . 1 1 50 50 MET HA H 50 4.335 4.335 4.272 0.063 18429 3601 1 7 . 1 1 50 50 MET C C 50 178.683 178.683 178.454 0.229 18429 3602 1 7 . 1 1 50 50 MET CA C 50 57.203 57.203 57.742 -0.539 18429 3603 1 7 . 1 1 50 50 MET CB C 50 32.289 32.289 31.801 0.488 18429 3604 1 7 . 1 1 50 50 MET H H 50 8.189 8.189 7.905 0.284 18429 3605 1 7 . 1 1 51 51 ILE N N 51 120.778 120.778 120.320 0.458 18429 3606 1 7 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.743 -0.050 18429 3607 1 7 . 1 1 51 51 ILE C C 51 177.667 177.667 178.074 -0.407 18429 3608 1 7 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.294 0.070 18429 3609 1 7 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.367 -0.083 18429 3610 1 7 . 1 1 51 51 ILE H H 51 8.475 8.475 7.807 0.668 18429 3611 1 7 . 1 1 52 52 GLU N N 52 120.715 120.715 120.657 0.058 18429 3612 1 7 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.940 -0.101 18429 3613 1 7 . 1 1 52 52 GLU C C 52 178.201 178.201 179.155 -0.954 18429 3614 1 7 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.933 0.194 18429 3615 1 7 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.403 -0.157 18429 3616 1 7 . 1 1 52 52 GLU H H 52 8.372 8.372 8.422 -0.050 18429 3617 1 7 . 1 1 53 53 LYS N N 53 118.426 118.426 118.278 0.148 18429 3618 1 7 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.228 -0.098 18429 3619 1 7 . 1 1 53 53 LYS C C 53 179.163 179.163 178.978 0.185 18429 3620 1 7 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.585 1.502 18429 3621 1 7 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.105 0.045 18429 3622 1 7 . 1 1 53 53 LYS H H 53 7.766 7.766 8.081 -0.315 18429 3623 1 7 . 1 1 54 54 PHE N N 54 120.522 120.522 122.169 -1.647 18429 3624 1 7 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.286 -0.184 18429 3625 1 7 . 1 1 54 54 PHE C C 54 176.920 176.920 177.043 -0.123 18429 3626 1 7 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.095 0.442 18429 3627 1 7 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.432 -0.021 18429 3628 1 7 . 1 1 54 54 PHE H H 54 7.990 7.990 8.129 -0.139 18429 3629 1 7 . 1 1 55 55 ARG N N 55 120.870 120.870 120.485 0.385 18429 3630 1 7 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.923 -0.097 18429 3631 1 7 . 1 1 55 55 ARG C C 55 178.383 178.383 178.032 0.351 18429 3632 1 7 . 1 1 55 55 ARG CA C 55 59.960 59.960 58.993 0.967 18429 3633 1 7 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.514 2.601 18429 3634 1 7 . 1 1 55 55 ARG H H 55 8.774 8.774 8.018 0.756 18429 3635 1 7 . 1 1 56 56 ASP N N 56 119.776 119.776 118.583 1.193 18429 3636 1 7 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.347 -0.020 18429 3637 1 7 . 1 1 56 56 ASP C C 56 179.398 179.398 178.187 1.211 18429 3638 1 7 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.764 -0.208 18429 3639 1 7 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.703 -0.886 18429 3640 1 7 . 1 1 56 56 ASP H H 56 8.491 8.491 7.908 0.583 18429 3641 1 7 . 1 1 57 57 GLU N N 57 120.418 120.418 119.720 0.698 18429 3642 1 7 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.068 -0.015 18429 3643 1 7 . 1 1 57 57 GLU C C 57 179.708 179.708 178.911 0.797 18429 3644 1 7 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.706 0.188 18429 3645 1 7 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.500 -0.124 18429 3646 1 7 . 1 1 57 57 GLU H H 57 7.894 7.894 7.774 0.120 18429 3647 1 7 . 1 1 58 58 MET N N 58 119.674 119.674 117.981 1.693 18429 3648 1 7 . 1 1 58 58 MET HA H 58 4.090 4.090 4.006 0.084 18429 3649 1 7 . 1 1 58 58 MET C C 58 178.137 178.137 178.237 -0.100 18429 3650 1 7 . 1 1 58 58 MET CA C 58 58.568 58.568 59.187 -0.619 18429 3651 1 7 . 1 1 58 58 MET CB C 58 31.846 31.846 32.441 -0.595 18429 3652 1 7 . 1 1 58 58 MET H H 58 8.352 8.352 7.836 0.516 18429 3653 1 7 . 1 1 59 59 GLU N N 59 119.770 119.770 119.465 0.305 18429 3654 1 7 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.982 -0.032 18429 3655 1 7 . 1 1 59 59 GLU C C 59 178.939 178.939 178.815 0.124 18429 3656 1 7 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.964 -0.220 18429 3657 1 7 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.465 -0.288 18429 3658 1 7 . 1 1 59 59 GLU H H 59 8.717 8.717 8.126 0.591 18429 3659 1 7 . 1 1 60 60 GLN N N 60 117.895 117.895 119.518 -1.623 18429 3660 1 7 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.117 -0.146 18429 3661 1 7 . 1 1 60 60 GLN C C 60 178.052 178.052 178.355 -0.303 18429 3662 1 7 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.353 -0.099 18429 3663 1 7 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.088 0.030 18429 3664 1 7 . 1 1 60 60 GLN H H 60 7.613 7.613 7.733 -0.120 18429 3665 1 7 . 1 1 61 61 MET N N 61 118.464 118.464 118.127 0.337 18429 3666 1 7 . 1 1 61 61 MET HA H 61 4.080 4.080 4.404 -0.324 18429 3667 1 7 . 1 1 61 61 MET C C 61 178.545 178.545 178.755 -0.210 18429 3668 1 7 . 1 1 61 61 MET CA C 61 58.972 58.972 58.495 0.477 18429 3669 1 7 . 1 1 61 61 MET CB C 61 32.309 32.309 32.679 -0.371 18429 3670 1 7 . 1 1 61 61 MET H H 61 7.943 7.943 7.652 0.291 18429 3671 1 7 . 1 1 62 62 TYR N N 62 119.118 119.118 120.807 -1.689 18429 3672 1 7 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.250 -0.090 18429 3673 1 7 . 1 1 62 62 TYR C C 62 176.118 176.118 175.959 0.159 18429 3674 1 7 . 1 1 62 62 TYR CA C 62 60.251 60.251 61.006 -0.755 18429 3675 1 7 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.241 0.148 18429 3676 1 7 . 1 1 62 62 TYR H H 62 8.313 8.313 8.292 0.021 18429 3677 1 7 . 1 1 63 63 LYS N N 63 117.899 117.899 117.731 0.168 18429 3678 1 7 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.796 0.000 18429 3679 1 7 . 1 1 63 63 LYS C C 63 178.470 178.470 177.964 0.506 18429 3680 1 7 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.233 0.569 18429 3681 1 7 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.212 -0.194 18429 3682 1 7 . 1 1 63 63 LYS H H 63 7.806 7.806 7.508 0.298 18429 3683 1 7 . 1 1 64 64 ASP N N 64 116.931 116.931 118.093 -1.162 18429 3684 1 7 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.502 -0.017 18429 3685 1 7 . 1 1 64 64 ASP C C 64 176.460 176.460 176.314 0.146 18429 3686 1 7 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.986 -0.346 18429 3687 1 7 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.499 -0.303 18429 3688 1 7 . 1 1 64 64 ASP H H 64 7.771 7.771 7.618 0.153 18429 3689 1 7 . 1 1 65 65 ALA N N 65 121.417 121.417 121.711 -0.294 18429 3690 1 7 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.691 -0.099 18429 3691 1 7 . 1 1 65 65 ALA C C 65 180.460 180.460 175.005 5.455 18429 3692 1 7 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.690 0.533 18429 3693 1 7 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.544 -1.269 18429 3694 1 7 . 1 1 65 65 ALA H H 65 7.536 7.536 7.452 0.084 18429 3695 1 7 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.432 -0.460 18429 3696 1 7 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.040 2.019 18429 3697 1 7 . 1 1 66 66 PRO CB C 66 31.377 31.377 29.642 1.735 18429 3698 1 7 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.661 -0.211 18429 3699 1 7 . 1 1 67 67 ASN CA C 67 56.342 56.342 51.740 4.602 18429 3700 1 7 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.075 2.508 18429 3701 1 7 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.936 0.351 18429 3702 1 7 . 1 1 68 68 ALA C C 68 180.039 180.039 178.065 1.974 18429 3703 1 7 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.241 0.717 18429 3704 1 7 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.474 1.363 18429 3705 1 7 . 1 1 69 69 VAL N N 69 119.699 119.699 120.326 -0.627 18429 3706 1 7 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.583 0.226 18429 3707 1 7 . 1 1 69 69 VAL C C 69 178.578 178.578 177.459 1.119 18429 3708 1 7 . 1 1 69 69 VAL CA C 69 65.910 65.910 67.032 -1.122 18429 3709 1 7 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.758 -0.437 18429 3710 1 7 . 1 1 69 69 VAL H H 69 7.968 7.968 7.648 0.320 18429 3711 1 7 . 1 1 70 70 MET N N 70 119.158 119.158 119.454 -0.296 18429 3712 1 7 . 1 1 70 70 MET HA H 70 4.411 4.411 4.060 0.351 18429 3713 1 7 . 1 1 70 70 MET C C 70 177.858 177.858 177.851 0.007 18429 3714 1 7 . 1 1 70 70 MET CA C 70 56.540 56.540 58.511 -1.970 18429 3715 1 7 . 1 1 70 70 MET CB C 70 31.927 31.927 32.249 -0.323 18429 3716 1 7 . 1 1 70 70 MET H H 70 8.195 8.195 8.519 -0.324 18429 3717 1 7 . 1 1 71 71 GLU N N 71 119.109 119.109 118.576 0.533 18429 3718 1 7 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.596 -0.074 18429 3719 1 7 . 1 1 71 71 GLU C C 71 178.949 178.949 178.377 0.572 18429 3720 1 7 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.444 0.357 18429 3721 1 7 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.116 0.571 18429 3722 1 7 . 1 1 71 71 GLU H H 71 8.122 8.122 8.229 -0.107 18429 3723 1 7 . 1 1 72 72 GLN N N 72 118.471 118.471 120.197 -1.726 18429 3724 1 7 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.033 0.089 18429 3725 1 7 . 1 1 72 72 GLN C C 72 178.597 178.597 178.392 0.205 18429 3726 1 7 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.963 -0.448 18429 3727 1 7 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.556 -0.445 18429 3728 1 7 . 1 1 72 72 GLN H H 72 7.662 7.662 7.598 0.064 18429 3729 1 7 . 1 1 73 73 LEU N N 73 120.880 120.880 118.631 2.249 18429 3730 1 7 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.234 -0.190 18429 3731 1 7 . 1 1 73 73 LEU C C 73 178.992 178.992 179.218 -0.226 18429 3732 1 7 . 1 1 73 73 LEU CA C 73 58.047 58.047 56.360 1.687 18429 3733 1 7 . 1 1 73 73 LEU CB C 73 41.377 41.377 40.563 0.814 18429 3734 1 7 . 1 1 73 73 LEU H H 73 8.170 8.170 7.741 0.429 18429 3735 1 7 . 1 1 74 74 LEU N N 74 119.628 119.628 121.446 -1.818 18429 3736 1 7 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.901 0.051 18429 3737 1 7 . 1 1 74 74 LEU C C 74 179.088 179.088 178.570 0.518 18429 3738 1 7 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.056 -0.282 18429 3739 1 7 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.529 -0.461 18429 3740 1 7 . 1 1 74 74 LEU H H 74 8.396 8.396 7.845 0.551 18429 3741 1 7 . 1 1 75 75 GLU N N 75 119.588 119.588 118.846 0.742 18429 3742 1 7 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.892 0.153 18429 3743 1 7 . 1 1 75 75 GLU C C 75 179.772 179.772 178.534 1.238 18429 3744 1 7 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.539 -0.279 18429 3745 1 7 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.526 -0.659 18429 3746 1 7 . 1 1 75 75 GLU H H 75 7.622 7.622 7.873 -0.251 18429 3747 1 7 . 1 1 76 76 GLU N N 76 118.750 118.750 119.067 -0.317 18429 3748 1 7 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.063 0.026 18429 3749 1 7 . 1 1 76 76 GLU C C 76 180.103 180.103 179.303 0.800 18429 3750 1 7 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.968 0.141 18429 3751 1 7 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.133 0.232 18429 3752 1 7 . 1 1 76 76 GLU H H 76 8.127 8.127 7.547 0.580 18429 3753 1 7 . 1 1 77 77 ILE N N 77 121.044 121.044 119.747 1.297 18429 3754 1 7 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.719 0.105 18429 3755 1 7 . 1 1 77 77 ILE C C 77 177.219 177.219 177.867 -0.648 18429 3756 1 7 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.541 -0.995 18429 3757 1 7 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.802 -0.655 18429 3758 1 7 . 1 1 77 77 ILE H H 77 8.715 8.715 8.019 0.696 18429 3759 1 7 . 1 1 78 78 GLU N N 78 121.847 121.847 120.461 1.386 18429 3760 1 7 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.851 0.191 18429 3761 1 7 . 1 1 78 78 GLU C C 78 179.644 179.644 178.882 0.762 18429 3762 1 7 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.729 -0.243 18429 3763 1 7 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.381 -0.395 18429 3764 1 7 . 1 1 78 78 GLU H H 78 8.161 8.161 7.734 0.427 18429 3765 1 7 . 1 1 79 79 LYS N N 79 118.842 118.842 118.994 -0.152 18429 3766 1 7 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.060 -0.098 18429 3767 1 7 . 1 1 79 79 LYS C C 79 179.729 179.729 179.067 0.662 18429 3768 1 7 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.518 1.223 18429 3769 1 7 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.956 0.474 18429 3770 1 7 . 1 1 79 79 LYS H H 79 7.756 7.756 8.203 -0.447 18429 3771 1 7 . 1 1 80 80 LEU N N 80 120.440 120.440 120.937 -0.497 18429 3772 1 7 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.056 -0.003 18429 3773 1 7 . 1 1 80 80 LEU C C 80 178.939 178.939 178.849 0.090 18429 3774 1 7 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.673 0.282 18429 3775 1 7 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.951 -0.275 18429 3776 1 7 . 1 1 80 80 LEU H H 80 7.805 7.805 7.639 0.166 18429 3777 1 7 . 1 1 81 81 LEU N N 81 119.519 119.519 119.035 0.484 18429 3778 1 7 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.884 0.071 18429 3779 1 7 . 1 1 81 81 LEU C C 81 179.366 179.366 179.594 -0.228 18429 3780 1 7 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.108 -0.332 18429 3781 1 7 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.440 0.177 18429 3782 1 7 . 1 1 81 81 LEU H H 81 8.423 8.423 8.094 0.329 18429 3783 1 7 . 1 1 82 82 LYS N N 82 119.070 119.070 119.501 -0.431 18429 3784 1 7 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.941 0.190 18429 3785 1 7 . 1 1 82 82 LYS C C 82 179.237 179.237 178.881 0.356 18429 3786 1 7 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.470 -0.598 18429 3787 1 7 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.340 -0.128 18429 3788 1 7 . 1 1 82 82 LYS H H 82 7.804 7.804 7.801 0.003 18429 3789 1 7 . 1 1 83 83 LYS N N 83 119.647 119.647 118.435 1.212 18429 3790 1 7 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.103 0.138 18429 3791 1 7 . 1 1 83 83 LYS C C 83 178.234 178.234 178.699 -0.465 18429 3792 1 7 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.408 -1.080 18429 3793 1 7 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.034 0.155 18429 3794 1 7 . 1 1 83 83 LYS H H 83 7.737 7.737 7.721 0.016 18429 3795 1 7 . 1 1 84 84 ALA N N 84 122.121 122.121 119.289 2.832 18429 3796 1 7 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.290 -0.220 18429 3797 1 7 . 1 1 84 84 ALA C C 84 179.003 179.003 177.936 1.067 18429 3798 1 7 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.386 1.536 18429 3799 1 7 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.861 -1.686 18429 3800 1 7 . 1 1 84 84 ALA H H 84 8.259 8.259 7.846 0.413 18429 3801 1 7 . 1 1 85 85 GLY N N 85 105.518 105.518 107.508 -1.990 18429 3802 1 7 . 1 1 85 85 GLY C C 85 174.759 174.759 174.033 0.726 18429 3803 1 7 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.753 0.984 18429 3804 1 7 . 1 1 85 85 GLY H H 85 8.191 8.191 7.680 0.511 18429 3805 1 7 . 1 1 86 86 SER N N 86 114.680 114.680 117.459 -2.779 18429 3806 1 7 . 1 1 86 86 SER HA H 86 4.512 4.512 4.490 0.022 18429 3807 1 7 . 1 1 86 86 SER C C 86 174.452 174.452 175.004 -0.552 18429 3808 1 7 . 1 1 86 86 SER CA C 86 58.641 58.641 58.124 0.517 18429 3809 1 7 . 1 1 86 86 SER CB C 86 63.751 63.751 63.925 -0.174 18429 3810 1 7 . 1 1 86 86 SER H H 86 7.884 7.884 7.932 -0.048 18429 3811 1 7 . 1 1 87 87 LEU N N 87 122.300 122.300 122.686 -0.386 18429 3812 1 7 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.284 0.048 18429 3813 1 7 . 1 1 87 87 LEU C C 87 176.845 176.845 177.444 -0.599 18429 3814 1 7 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.843 -0.851 18429 3815 1 7 . 1 1 87 87 LEU CB C 87 41.924 41.924 42.176 -0.252 18429 3816 1 7 . 1 1 87 87 LEU H H 87 7.806 7.806 8.312 -0.506 18429 3817 1 7 . 1 1 88 88 VAL N N 88 120.869 120.869 115.922 4.947 18429 3818 1 7 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.120 0.267 18429 3819 1 7 . 1 1 88 88 VAL C C 88 174.367 174.367 174.265 0.102 18429 3820 1 7 . 1 1 88 88 VAL CA C 88 59.756 59.756 59.684 0.072 18429 3821 1 7 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.234 1.144 18429 3822 1 7 . 1 1 88 88 VAL H H 88 7.849 7.849 7.730 0.119 18429 3823 1 7 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.586 -0.174 18429 3824 1 7 . 1 1 89 89 PRO C C 89 176.898 176.898 176.675 0.223 18429 3825 1 7 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.832 0.097 18429 3826 1 7 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.675 -0.749 18429 3827 1 7 . 1 1 90 90 ARG N N 90 121.893 121.893 121.111 0.782 18429 3828 1 7 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.271 0.020 18429 3829 1 7 . 1 1 90 90 ARG C C 90 177.081 177.081 177.512 -0.431 18429 3830 1 7 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.501 -0.176 18429 3831 1 7 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.030 0.524 18429 3832 1 7 . 1 1 90 90 ARG H H 90 8.528 8.528 8.570 -0.042 18429 3833 1 7 . 1 1 91 91 GLY N N 91 109.932 109.932 110.544 -0.612 18429 3834 1 7 . 1 1 91 91 GLY C C 91 174.324 174.324 173.798 0.526 18429 3835 1 7 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.502 0.791 18429 3836 1 7 . 1 1 91 91 GLY H H 91 8.551 8.551 8.229 0.322 18429 3837 1 7 . 1 1 92 92 SER N N 92 115.612 115.612 116.828 -1.216 18429 3838 1 7 . 1 1 92 92 SER HA H 92 4.407 4.407 4.352 0.055 18429 3839 1 7 . 1 1 92 92 SER C C 92 174.463 174.463 175.058 -0.595 18429 3840 1 7 . 1 1 92 92 SER CA C 92 58.310 58.310 56.773 1.537 18429 3841 1 7 . 1 1 92 92 SER CB C 92 63.616 63.616 64.236 -0.620 18429 3842 1 7 . 1 1 92 92 SER H H 92 8.183 8.183 7.577 0.606 18429 3843 1 7 . 1 1 93 93 TYR N N 93 122.140 122.140 120.202 1.938 18429 3844 1 7 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.560 -0.054 18429 3845 1 7 . 1 1 93 93 TYR C C 93 175.659 175.659 175.545 0.114 18429 3846 1 7 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.352 -0.248 18429 3847 1 7 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.828 -0.537 18429 3848 1 7 . 1 1 93 93 TYR H H 93 8.206 8.206 8.275 -0.069 18429 3849 1 7 . 1 1 94 94 LEU N N 94 123.025 123.025 118.667 4.358 18429 3850 1 7 . 1 1 94 94 LEU HA H 94 4.199 4.199 3.996 0.203 18429 3851 1 7 . 1 1 94 94 LEU C C 94 177.037 177.037 176.612 0.425 18429 3852 1 7 . 1 1 94 94 LEU CA C 94 54.945 54.945 55.593 -0.648 18429 3853 1 7 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.518 0.648 18429 3854 1 7 . 1 1 94 94 LEU H H 94 8.007 8.007 7.899 0.108 18429 3855 1 7 . 1 1 95 95 GLU N N 95 120.848 120.848 117.204 3.644 18429 3856 1 7 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.107 0.009 18429 3857 1 7 . 1 1 95 95 GLU C C 95 176.268 176.268 177.896 -1.628 18429 3858 1 7 . 1 1 95 95 GLU CA C 95 56.713 56.713 58.168 -1.455 18429 3859 1 7 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.420 0.626 18429 3860 1 7 . 1 1 95 95 GLU H H 95 8.141 8.141 8.756 -0.615 18429 3861 1 7 . 1 1 96 96 HIS N N 96 119.288 119.288 120.098 -0.810 18429 3862 1 7 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.431 0.139 18429 3863 1 7 . 1 1 96 96 HIS C C 96 174.100 174.100 175.168 -1.068 18429 3864 1 7 . 1 1 96 96 HIS CA C 96 55.839 55.839 57.757 -1.918 18429 3865 1 7 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.295 0.109 18429 3866 1 7 . 1 1 96 96 HIS H H 96 8.144 8.144 8.565 -0.421 18429 3867 1 7 . 1 1 97 97 HIS N N 97 125.622 125.622 112.948 12.674 18429 3868 1 7 . 1 1 97 97 HIS C C 97 179.480 179.480 173.195 6.285 18429 3869 1 7 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.273 2.174 18429 3870 1 7 . 1 1 97 97 HIS CB C 97 30.754 30.754 30.559 0.195 18429 3871 1 7 . 1 1 97 97 HIS H H 97 8.017 8.017 7.551 0.466 18429 3872 1 8 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.594 -0.278 18429 3873 1 8 . 1 1 2 2 GLN C C 2 177.028 177.028 176.085 0.943 18429 3874 1 8 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.343 0.457 18429 3875 1 8 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.304 -0.420 18429 3876 1 8 . 1 1 3 3 GLU N N 3 123.654 123.654 124.902 -1.248 18429 3877 1 8 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.731 0.346 18429 3878 1 8 . 1 1 3 3 GLU C C 3 177.945 177.945 177.225 0.720 18429 3879 1 8 . 1 1 3 3 GLU CA C 3 59.110 59.110 59.242 -0.132 18429 3880 1 8 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.751 0.592 18429 3881 1 8 . 1 1 3 3 GLU H H 3 8.995 8.995 8.956 0.039 18429 3882 1 8 . 1 1 4 4 GLU N N 4 119.237 119.237 119.685 -0.448 18429 3883 1 8 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.990 0.079 18429 3884 1 8 . 1 1 4 4 GLU C C 4 178.815 178.815 178.863 -0.048 18429 3885 1 8 . 1 1 4 4 GLU CA C 4 59.152 59.152 58.962 0.190 18429 3886 1 8 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.442 -0.224 18429 3887 1 8 . 1 1 4 4 GLU H H 4 8.837 8.837 8.113 0.724 18429 3888 1 8 . 1 1 5 5 ARG N N 5 120.052 120.052 118.174 1.878 18429 3889 1 8 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.064 -0.113 18429 3890 1 8 . 1 1 5 5 ARG C C 5 177.324 177.324 178.902 -1.578 18429 3891 1 8 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.578 0.663 18429 3892 1 8 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.610 0.371 18429 3893 1 8 . 1 1 5 5 ARG H H 5 7.884 7.884 8.454 -0.570 18429 3894 1 8 . 1 1 6 6 LYS N N 6 119.327 119.327 119.182 0.145 18429 3895 1 8 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.039 -0.059 18429 3896 1 8 . 1 1 6 6 LYS C C 6 178.939 178.939 178.537 0.402 18429 3897 1 8 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.486 -0.154 18429 3898 1 8 . 1 1 6 6 LYS CB C 6 32.154 32.154 32.142 0.011 18429 3899 1 8 . 1 1 6 6 LYS H H 6 7.998 7.998 7.655 0.343 18429 3900 1 8 . 1 1 7 7 LYS N N 7 117.908 117.908 119.379 -1.471 18429 3901 1 8 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.194 -0.098 18429 3902 1 8 . 1 1 7 7 LYS C C 7 179.332 179.332 179.262 0.070 18429 3903 1 8 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.430 0.337 18429 3904 1 8 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.773 0.525 18429 3905 1 8 . 1 1 7 7 LYS H H 7 7.917 7.917 7.494 0.423 18429 3906 1 8 . 1 1 8 8 LEU N N 8 120.724 120.724 119.065 1.659 18429 3907 1 8 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.172 -0.123 18429 3908 1 8 . 1 1 8 8 LEU C C 8 178.490 178.490 178.970 -0.480 18429 3909 1 8 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.681 0.008 18429 3910 1 8 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.014 0.591 18429 3911 1 8 . 1 1 8 8 LEU H H 8 7.686 7.686 7.664 0.022 18429 3912 1 8 . 1 1 9 9 LEU N N 9 118.886 118.886 116.127 2.759 18429 3913 1 8 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.085 -0.147 18429 3914 1 8 . 1 1 9 9 LEU C C 9 178.981 178.981 178.817 0.164 18429 3915 1 8 . 1 1 9 9 LEU CA C 9 57.958 57.958 58.078 -0.120 18429 3916 1 8 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.471 0.371 18429 3917 1 8 . 1 1 9 9 LEU H H 9 8.158 8.158 7.418 0.740 18429 3918 1 8 . 1 1 10 10 GLU N N 10 119.000 119.000 120.466 -1.466 18429 3919 1 8 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.963 0.089 18429 3920 1 8 . 1 1 10 10 GLU C C 10 179.601 179.601 178.791 0.810 18429 3921 1 8 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.609 -0.331 18429 3922 1 8 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.141 0.145 18429 3923 1 8 . 1 1 10 10 GLU H H 10 8.069 8.069 8.653 -0.584 18429 3924 1 8 . 1 1 11 11 LYS N N 11 119.446 119.446 120.722 -1.276 18429 3925 1 8 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.038 0.045 18429 3926 1 8 . 1 1 11 11 LYS C C 11 178.971 178.971 178.868 0.103 18429 3927 1 8 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.288 -0.516 18429 3928 1 8 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.477 -0.481 18429 3929 1 8 . 1 1 11 11 LYS H H 11 7.676 7.676 7.517 0.159 18429 3930 1 8 . 1 1 12 12 LEU N N 12 120.017 120.017 120.446 -0.429 18429 3931 1 8 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.997 -0.113 18429 3932 1 8 . 1 1 12 12 LEU C C 12 177.977 177.977 178.338 -0.361 18429 3933 1 8 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.961 -0.236 18429 3934 1 8 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.393 0.184 18429 3935 1 8 . 1 1 12 12 LEU H H 12 8.378 8.378 7.843 0.535 18429 3936 1 8 . 1 1 13 13 GLU N N 13 117.914 117.914 118.624 -0.710 18429 3937 1 8 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.859 -0.163 18429 3938 1 8 . 1 1 13 13 GLU C C 13 177.934 177.934 179.056 -1.122 18429 3939 1 8 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.309 0.807 18429 3940 1 8 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.880 0.518 18429 3941 1 8 . 1 1 13 13 GLU H H 13 8.458 8.458 8.124 0.334 18429 3942 1 8 . 1 1 14 14 LYS N N 14 117.629 117.629 119.746 -2.117 18429 3943 1 8 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.028 0.107 18429 3944 1 8 . 1 1 14 14 LYS C C 14 179.227 179.227 179.102 0.125 18429 3945 1 8 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.410 -0.544 18429 3946 1 8 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.310 -0.183 18429 3947 1 8 . 1 1 14 14 LYS H H 14 7.365 7.365 7.823 -0.458 18429 3948 1 8 . 1 1 15 15 ILE N N 15 119.583 119.583 119.739 -0.156 18429 3949 1 8 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.847 -0.070 18429 3950 1 8 . 1 1 15 15 ILE C C 15 178.009 178.009 178.494 -0.485 18429 3951 1 8 . 1 1 15 15 ILE CA C 15 64.889 64.889 62.961 1.928 18429 3952 1 8 . 1 1 15 15 ILE CB C 15 38.200 38.200 36.664 1.536 18429 3953 1 8 . 1 1 15 15 ILE H H 15 7.726 7.726 7.493 0.233 18429 3954 1 8 . 1 1 16 16 LEU N N 16 118.601 118.601 119.768 -1.167 18429 3955 1 8 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.863 -0.010 18429 3956 1 8 . 1 1 16 16 LEU C C 16 179.729 179.729 178.790 0.939 18429 3957 1 8 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.337 -0.495 18429 3958 1 8 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.932 -0.295 18429 3959 1 8 . 1 1 16 16 LEU H H 16 8.372 8.372 7.845 0.527 18429 3960 1 8 . 1 1 17 17 ASP N N 17 120.008 120.008 118.790 1.218 18429 3961 1 8 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.377 -0.041 18429 3962 1 8 . 1 1 17 17 ASP C C 17 178.148 178.148 178.769 -0.621 18429 3963 1 8 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.083 0.206 18429 3964 1 8 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.172 -0.904 18429 3965 1 8 . 1 1 17 17 ASP H H 17 8.192 8.192 7.787 0.405 18429 3966 1 8 . 1 1 18 18 GLU N N 18 119.362 119.362 119.793 -0.431 18429 3967 1 8 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.214 -0.063 18429 3968 1 8 . 1 1 18 18 GLU C C 18 179.653 179.653 179.178 0.475 18429 3969 1 8 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.803 0.452 18429 3970 1 8 . 1 1 18 18 GLU CB C 18 29.200 29.200 30.112 -0.912 18429 3971 1 8 . 1 1 18 18 GLU H H 18 7.860 7.860 7.670 0.190 18429 3972 1 8 . 1 1 19 19 VAL N N 19 118.483 118.483 119.789 -1.306 18429 3973 1 8 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.944 -0.118 18429 3974 1 8 . 1 1 19 19 VAL C C 19 177.496 177.496 177.035 0.461 18429 3975 1 8 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.016 -0.119 18429 3976 1 8 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.757 0.052 18429 3977 1 8 . 1 1 19 19 VAL H H 19 8.416 8.416 8.382 0.034 18429 3978 1 8 . 1 1 20 20 THR N N 20 112.904 112.904 113.962 -1.058 18429 3979 1 8 . 1 1 20 20 THR HA H 20 3.856 3.856 4.090 -0.234 18429 3980 1 8 . 1 1 20 20 THR C C 20 175.894 175.894 176.179 -0.285 18429 3981 1 8 . 1 1 20 20 THR CA C 20 65.696 65.696 66.687 -0.991 18429 3982 1 8 . 1 1 20 20 THR CB C 20 68.587 68.587 68.164 0.423 18429 3983 1 8 . 1 1 20 20 THR H H 20 7.985 7.985 7.659 0.326 18429 3984 1 8 . 1 1 21 21 ASP N N 21 120.510 120.510 122.511 -2.001 18429 3985 1 8 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.380 0.062 18429 3986 1 8 . 1 1 21 21 ASP C C 21 177.358 177.358 178.453 -1.095 18429 3987 1 8 . 1 1 21 21 ASP CA C 21 56.368 56.368 57.381 -1.013 18429 3988 1 8 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.708 0.165 18429 3989 1 8 . 1 1 21 21 ASP H H 21 7.935 7.935 7.722 0.213 18429 3990 1 8 . 1 1 22 22 GLY N N 22 106.730 106.730 106.683 0.047 18429 3991 1 8 . 1 1 22 22 GLY C C 22 174.004 174.004 174.462 -0.458 18429 3992 1 8 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.792 0.035 18429 3993 1 8 . 1 1 22 22 GLY H H 22 7.939 7.939 7.843 0.096 18429 3994 1 8 . 1 1 23 23 ALA N N 23 124.286 124.286 125.006 -0.720 18429 3995 1 8 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.402 0.106 18429 3996 1 8 . 1 1 23 23 ALA C C 23 174.921 174.921 175.195 -0.274 18429 3997 1 8 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.644 -0.293 18429 3998 1 8 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.566 -1.062 18429 3999 1 8 . 1 1 23 23 ALA H H 23 7.531 7.531 7.413 0.118 18429 4000 1 8 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.491 0.072 18429 4001 1 8 . 1 1 24 24 PRO C C 24 177.571 177.571 177.089 0.482 18429 4002 1 8 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.172 0.318 18429 4003 1 8 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.767 -0.669 18429 4004 1 8 . 1 1 25 25 ASP N N 25 122.828 122.828 119.713 3.115 18429 4005 1 8 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.316 -0.061 18429 4006 1 8 . 1 1 25 25 ASP C C 25 178.298 178.298 178.370 -0.072 18429 4007 1 8 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.511 0.552 18429 4008 1 8 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.668 -0.151 18429 4009 1 8 . 1 1 25 25 ASP H H 25 8.779 8.779 8.664 0.115 18429 4010 1 8 . 1 1 26 26 GLU N N 26 117.055 117.055 120.073 -3.018 18429 4011 1 8 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.126 0.009 18429 4012 1 8 . 1 1 26 26 GLU C C 26 177.454 177.454 179.056 -1.602 18429 4013 1 8 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.807 0.417 18429 4014 1 8 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.571 -1.017 18429 4015 1 8 . 1 1 26 26 GLU H H 26 9.324 9.324 8.407 0.917 18429 4016 1 8 . 1 1 27 27 ALA N N 27 120.789 120.789 121.501 -0.712 18429 4017 1 8 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.254 0.157 18429 4018 1 8 . 1 1 27 27 ALA C C 27 178.065 178.065 179.265 -1.200 18429 4019 1 8 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.898 -1.020 18429 4020 1 8 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.101 1.795 18429 4021 1 8 . 1 1 27 27 ALA H H 27 7.474 7.474 8.193 -0.719 18429 4022 1 8 . 1 1 28 28 ARG N N 28 118.872 118.872 120.007 -1.135 18429 4023 1 8 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.950 -0.275 18429 4024 1 8 . 1 1 28 28 ARG C C 28 177.550 177.550 178.182 -0.632 18429 4025 1 8 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.622 0.980 18429 4026 1 8 . 1 1 28 28 ARG CB C 28 29.544 29.544 29.936 -0.392 18429 4027 1 8 . 1 1 28 28 ARG H H 28 7.803 7.803 8.127 -0.324 18429 4028 1 8 . 1 1 29 29 GLU N N 29 117.512 117.512 117.979 -0.467 18429 4029 1 8 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.002 0.040 18429 4030 1 8 . 1 1 29 29 GLU C C 29 179.122 179.122 179.252 -0.130 18429 4031 1 8 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.131 0.476 18429 4032 1 8 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.117 0.124 18429 4033 1 8 . 1 1 29 29 GLU H H 29 8.490 8.490 7.793 0.697 18429 4034 1 8 . 1 1 30 30 ARG N N 30 119.240 119.240 119.969 -0.729 18429 4035 1 8 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.165 -0.031 18429 4036 1 8 . 1 1 30 30 ARG C C 30 179.248 179.248 178.649 0.599 18429 4037 1 8 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.413 0.416 18429 4038 1 8 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.703 0.162 18429 4039 1 8 . 1 1 30 30 ARG H H 30 7.789 7.789 7.936 -0.147 18429 4040 1 8 . 1 1 31 31 ILE N N 31 120.920 120.920 119.850 1.070 18429 4041 1 8 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.881 -0.143 18429 4042 1 8 . 1 1 31 31 ILE C C 31 177.089 177.089 178.074 -0.985 18429 4043 1 8 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.151 -1.333 18429 4044 1 8 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.619 -0.534 18429 4045 1 8 . 1 1 31 31 ILE H H 31 8.256 8.256 7.619 0.637 18429 4046 1 8 . 1 1 32 32 GLU N N 32 120.281 120.281 120.166 0.115 18429 4047 1 8 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.950 -0.014 18429 4048 1 8 . 1 1 32 32 GLU C C 32 179.429 179.429 179.362 0.067 18429 4049 1 8 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.664 -0.105 18429 4050 1 8 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.100 0.303 18429 4051 1 8 . 1 1 32 32 GLU H H 32 8.697 8.697 8.540 0.157 18429 4052 1 8 . 1 1 33 33 LYS N N 33 119.737 119.737 118.745 0.992 18429 4053 1 8 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.159 -0.101 18429 4054 1 8 . 1 1 33 33 LYS C C 33 178.159 178.159 178.970 -0.811 18429 4055 1 8 . 1 1 33 33 LYS CA C 33 59.411 59.411 58.272 1.139 18429 4056 1 8 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.193 -0.143 18429 4057 1 8 . 1 1 33 33 LYS H H 33 7.764 7.764 7.476 0.288 18429 4058 1 8 . 1 1 34 34 LEU N N 34 120.133 120.133 120.663 -0.530 18429 4059 1 8 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.458 -0.226 18429 4060 1 8 . 1 1 34 34 LEU C C 34 178.629 178.629 178.832 -0.203 18429 4061 1 8 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.113 0.394 18429 4062 1 8 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.745 0.052 18429 4063 1 8 . 1 1 34 34 LEU H H 34 7.790 7.790 7.612 0.178 18429 4064 1 8 . 1 1 35 35 ALA N N 35 119.492 119.492 121.593 -2.101 18429 4065 1 8 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.794 -0.026 18429 4066 1 8 . 1 1 35 35 ALA C C 35 179.297 179.297 179.151 0.146 18429 4067 1 8 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.573 -0.550 18429 4068 1 8 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.181 0.010 18429 4069 1 8 . 1 1 35 35 ALA H H 35 8.634 8.634 8.489 0.145 18429 4070 1 8 . 1 1 36 36 LYS N N 36 118.470 118.470 118.686 -0.216 18429 4071 1 8 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.954 -0.023 18429 4072 1 8 . 1 1 36 36 LYS C C 36 178.223 178.223 178.569 -0.346 18429 4073 1 8 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.535 -0.340 18429 4074 1 8 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.319 -0.264 18429 4075 1 8 . 1 1 36 36 LYS H H 36 7.704 7.704 7.504 0.200 18429 4076 1 8 . 1 1 37 37 ASP N N 37 120.075 120.075 119.507 0.568 18429 4077 1 8 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.547 -0.144 18429 4078 1 8 . 1 1 37 37 ASP C C 37 179.334 179.334 178.903 0.431 18429 4079 1 8 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.196 -0.015 18429 4080 1 8 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.392 -0.414 18429 4081 1 8 . 1 1 37 37 ASP H H 37 8.203 8.203 7.802 0.401 18429 4082 1 8 . 1 1 38 38 VAL N N 38 118.202 118.202 119.464 -1.262 18429 4083 1 8 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.650 -0.027 18429 4084 1 8 . 1 1 38 38 VAL C C 38 177.017 177.017 177.823 -0.806 18429 4085 1 8 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.114 -0.446 18429 4086 1 8 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.947 0.290 18429 4087 1 8 . 1 1 38 38 VAL H H 38 8.215 8.215 7.820 0.395 18429 4088 1 8 . 1 1 39 39 LYS N N 39 119.236 119.236 120.145 -0.909 18429 4089 1 8 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.960 -0.150 18429 4090 1 8 . 1 1 39 39 LYS C C 39 178.575 178.575 179.077 -0.502 18429 4091 1 8 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.930 -0.217 18429 4092 1 8 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.943 0.148 18429 4093 1 8 . 1 1 39 39 LYS H H 39 7.780 7.780 7.441 0.339 18429 4094 1 8 . 1 1 40 40 ASP N N 40 118.227 118.227 119.837 -1.610 18429 4095 1 8 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.457 -0.005 18429 4096 1 8 . 1 1 40 40 ASP C C 40 178.137 178.137 178.716 -0.579 18429 4097 1 8 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.514 -1.091 18429 4098 1 8 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.379 0.031 18429 4099 1 8 . 1 1 40 40 ASP H H 40 8.273 8.273 8.052 0.221 18429 4100 1 8 . 1 1 41 41 GLU N N 41 119.896 119.896 119.357 0.539 18429 4101 1 8 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.338 -0.107 18429 4102 1 8 . 1 1 41 41 GLU C C 41 177.849 177.849 178.486 -0.637 18429 4103 1 8 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.767 -0.382 18429 4104 1 8 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.500 0.232 18429 4105 1 8 . 1 1 41 41 GLU H H 41 7.875 7.875 7.718 0.157 18429 4106 1 8 . 1 1 42 42 LEU N N 42 119.906 119.906 118.422 1.484 18429 4107 1 8 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.100 0.024 18429 4108 1 8 . 1 1 42 42 LEU C C 42 178.276 178.276 179.011 -0.735 18429 4109 1 8 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.849 -0.136 18429 4110 1 8 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.970 0.178 18429 4111 1 8 . 1 1 42 42 LEU H H 42 7.952 7.952 8.065 -0.113 18429 4112 1 8 . 1 1 43 43 GLU N N 43 117.735 117.735 118.473 -0.738 18429 4113 1 8 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.122 0.013 18429 4114 1 8 . 1 1 43 43 GLU C C 43 177.582 177.582 176.779 0.803 18429 4115 1 8 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.360 0.444 18429 4116 1 8 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.686 -1.115 18429 4117 1 8 . 1 1 43 43 GLU H H 43 8.020 8.020 7.628 0.392 18429 4118 1 8 . 1 1 44 44 GLU N N 44 116.308 116.308 116.606 -0.298 18429 4119 1 8 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.533 -0.117 18429 4120 1 8 . 1 1 44 44 GLU C C 44 177.133 177.133 175.090 2.043 18429 4121 1 8 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.084 0.364 18429 4122 1 8 . 1 1 44 44 GLU CB C 44 31.114 31.114 32.029 -0.915 18429 4123 1 8 . 1 1 44 44 GLU H H 44 8.128 8.128 8.213 -0.085 18429 4124 1 8 . 1 1 45 45 GLY N N 45 109.450 109.450 113.577 -4.127 18429 4125 1 8 . 1 1 45 45 GLY C C 45 173.685 173.685 173.023 0.662 18429 4126 1 8 . 1 1 45 45 GLY CA C 45 45.374 45.374 45.318 0.056 18429 4127 1 8 . 1 1 45 45 GLY H H 45 8.156 8.156 8.211 -0.055 18429 4128 1 8 . 1 1 46 46 ASP N N 46 120.995 120.995 119.665 1.330 18429 4129 1 8 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.790 -0.102 18429 4130 1 8 . 1 1 46 46 ASP C C 46 176.375 176.375 175.475 0.900 18429 4131 1 8 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.201 0.424 18429 4132 1 8 . 1 1 46 46 ASP CB C 46 41.207 41.207 40.289 0.917 18429 4133 1 8 . 1 1 46 46 ASP H H 46 8.467 8.467 8.293 0.174 18429 4134 1 8 . 1 1 47 47 ALA N N 47 124.626 124.626 126.658 -2.032 18429 4135 1 8 . 1 1 47 47 ALA HA H 47 4.123 4.123 3.966 0.157 18429 4136 1 8 . 1 1 47 47 ALA C C 47 178.084 178.084 178.548 -0.464 18429 4137 1 8 . 1 1 47 47 ALA CA C 47 53.941 53.941 55.325 -1.384 18429 4138 1 8 . 1 1 47 47 ALA CB C 47 18.984 18.984 18.957 0.027 18429 4139 1 8 . 1 1 47 47 ALA H H 47 8.483 8.483 8.123 0.360 18429 4140 1 8 . 1 1 48 48 LYS N N 48 118.214 118.214 118.705 -0.491 18429 4141 1 8 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.950 -0.149 18429 4142 1 8 . 1 1 48 48 LYS C C 48 177.582 177.582 177.975 -0.393 18429 4143 1 8 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.715 0.397 18429 4144 1 8 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.015 0.145 18429 4145 1 8 . 1 1 48 48 LYS H H 48 8.349 8.349 8.178 0.171 18429 4146 1 8 . 1 1 49 49 ASN N N 49 116.387 116.387 117.632 -1.245 18429 4147 1 8 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.472 0.036 18429 4148 1 8 . 1 1 49 49 ASN C C 49 177.753 177.753 177.778 -0.025 18429 4149 1 8 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.957 0.024 18429 4150 1 8 . 1 1 49 49 ASN CB C 49 38.365 38.365 37.931 0.434 18429 4151 1 8 . 1 1 49 49 ASN H H 49 8.184 8.184 8.442 -0.258 18429 4152 1 8 . 1 1 50 50 MET N N 50 118.627 118.627 118.244 0.383 18429 4153 1 8 . 1 1 50 50 MET HA H 50 4.335 4.335 4.252 0.083 18429 4154 1 8 . 1 1 50 50 MET C C 50 178.683 178.683 178.985 -0.302 18429 4155 1 8 . 1 1 50 50 MET CA C 50 57.203 57.203 57.890 -0.687 18429 4156 1 8 . 1 1 50 50 MET CB C 50 32.289 32.289 31.967 0.322 18429 4157 1 8 . 1 1 50 50 MET H H 50 8.189 8.189 7.455 0.735 18429 4158 1 8 . 1 1 51 51 ILE N N 51 120.778 120.778 120.518 0.260 18429 4159 1 8 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.678 0.015 18429 4160 1 8 . 1 1 51 51 ILE C C 51 177.667 177.667 178.048 -0.381 18429 4161 1 8 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.552 -0.188 18429 4162 1 8 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.424 -0.140 18429 4163 1 8 . 1 1 51 51 ILE H H 51 8.475 8.475 8.119 0.356 18429 4164 1 8 . 1 1 52 52 GLU N N 52 120.715 120.715 119.882 0.833 18429 4165 1 8 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.960 -0.121 18429 4166 1 8 . 1 1 52 52 GLU C C 52 178.201 178.201 179.017 -0.816 18429 4167 1 8 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.882 0.245 18429 4168 1 8 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.567 -0.321 18429 4169 1 8 . 1 1 52 52 GLU H H 52 8.372 8.372 8.056 0.316 18429 4170 1 8 . 1 1 53 53 LYS N N 53 118.426 118.426 118.813 -0.387 18429 4171 1 8 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.171 -0.042 18429 4172 1 8 . 1 1 53 53 LYS C C 53 179.163 179.163 178.645 0.518 18429 4173 1 8 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.528 0.559 18429 4174 1 8 . 1 1 53 53 LYS CB C 53 32.150 32.150 31.818 0.332 18429 4175 1 8 . 1 1 53 53 LYS H H 53 7.766 7.766 8.220 -0.454 18429 4176 1 8 . 1 1 54 54 PHE N N 54 120.522 120.522 122.505 -1.983 18429 4177 1 8 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.243 -0.141 18429 4178 1 8 . 1 1 54 54 PHE C C 54 176.920 176.920 176.849 0.071 18429 4179 1 8 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.041 0.496 18429 4180 1 8 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.703 -0.291 18429 4181 1 8 . 1 1 54 54 PHE H H 54 7.990 7.990 8.061 -0.071 18429 4182 1 8 . 1 1 55 55 ARG N N 55 120.870 120.870 120.245 0.625 18429 4183 1 8 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.903 -0.077 18429 4184 1 8 . 1 1 55 55 ARG C C 55 178.383 178.383 177.921 0.462 18429 4185 1 8 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.415 0.545 18429 4186 1 8 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.486 2.629 18429 4187 1 8 . 1 1 55 55 ARG H H 55 8.774 8.774 8.220 0.554 18429 4188 1 8 . 1 1 56 56 ASP N N 56 119.776 119.776 118.361 1.415 18429 4189 1 8 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.403 -0.076 18429 4190 1 8 . 1 1 56 56 ASP C C 56 179.398 179.398 178.589 0.809 18429 4191 1 8 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.471 0.085 18429 4192 1 8 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.847 -1.030 18429 4193 1 8 . 1 1 56 56 ASP H H 56 8.491 8.491 8.000 0.491 18429 4194 1 8 . 1 1 57 57 GLU N N 57 120.418 120.418 119.719 0.699 18429 4195 1 8 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.043 0.010 18429 4196 1 8 . 1 1 57 57 GLU C C 57 179.708 179.708 178.330 1.378 18429 4197 1 8 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.743 0.151 18429 4198 1 8 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.402 -0.026 18429 4199 1 8 . 1 1 57 57 GLU H H 57 7.894 7.894 7.721 0.173 18429 4200 1 8 . 1 1 58 58 MET N N 58 119.674 119.674 119.594 0.080 18429 4201 1 8 . 1 1 58 58 MET HA H 58 4.090 4.090 3.949 0.141 18429 4202 1 8 . 1 1 58 58 MET C C 58 178.137 178.137 178.202 -0.065 18429 4203 1 8 . 1 1 58 58 MET CA C 58 58.568 58.568 57.908 0.660 18429 4204 1 8 . 1 1 58 58 MET CB C 58 31.846 31.846 32.212 -0.366 18429 4205 1 8 . 1 1 58 58 MET H H 58 8.352 8.352 7.774 0.578 18429 4206 1 8 . 1 1 59 59 GLU N N 59 119.770 119.770 117.860 1.910 18429 4207 1 8 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.955 -0.005 18429 4208 1 8 . 1 1 59 59 GLU C C 59 178.939 178.939 178.926 0.013 18429 4209 1 8 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.282 0.462 18429 4210 1 8 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.599 -0.422 18429 4211 1 8 . 1 1 59 59 GLU H H 59 8.717 8.717 8.146 0.571 18429 4212 1 8 . 1 1 60 60 GLN N N 60 117.895 117.895 119.440 -1.545 18429 4213 1 8 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.140 -0.169 18429 4214 1 8 . 1 1 60 60 GLN C C 60 178.052 178.052 178.671 -0.619 18429 4215 1 8 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.545 -0.291 18429 4216 1 8 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.783 -0.665 18429 4217 1 8 . 1 1 60 60 GLN H H 60 7.613 7.613 7.428 0.185 18429 4218 1 8 . 1 1 61 61 MET N N 61 118.464 118.464 115.430 3.034 18429 4219 1 8 . 1 1 61 61 MET HA H 61 4.080 4.080 4.363 -0.283 18429 4220 1 8 . 1 1 61 61 MET C C 61 178.545 178.545 178.485 0.060 18429 4221 1 8 . 1 1 61 61 MET CA C 61 58.972 58.972 58.107 0.865 18429 4222 1 8 . 1 1 61 61 MET CB C 61 32.309 32.309 32.469 -0.160 18429 4223 1 8 . 1 1 61 61 MET H H 61 7.943 7.943 7.927 0.016 18429 4224 1 8 . 1 1 62 62 TYR N N 62 119.118 119.118 121.484 -2.366 18429 4225 1 8 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.445 -0.285 18429 4226 1 8 . 1 1 62 62 TYR C C 62 176.118 176.118 175.953 0.165 18429 4227 1 8 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.851 -0.600 18429 4228 1 8 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.562 -0.173 18429 4229 1 8 . 1 1 62 62 TYR H H 62 8.313 8.313 7.998 0.315 18429 4230 1 8 . 1 1 63 63 LYS N N 63 117.899 117.899 117.363 0.536 18429 4231 1 8 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.940 -0.144 18429 4232 1 8 . 1 1 63 63 LYS C C 63 178.470 178.470 177.308 1.162 18429 4233 1 8 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.953 0.849 18429 4234 1 8 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.289 -0.271 18429 4235 1 8 . 1 1 63 63 LYS H H 63 7.806 7.806 7.579 0.227 18429 4236 1 8 . 1 1 64 64 ASP N N 64 116.931 116.931 118.511 -1.580 18429 4237 1 8 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.588 -0.103 18429 4238 1 8 . 1 1 64 64 ASP C C 64 176.460 176.460 175.953 0.507 18429 4239 1 8 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.565 0.075 18429 4240 1 8 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.576 -0.380 18429 4241 1 8 . 1 1 64 64 ASP H H 64 7.771 7.771 7.802 -0.031 18429 4242 1 8 . 1 1 65 65 ALA N N 65 121.417 121.417 121.132 0.285 18429 4243 1 8 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.714 -0.122 18429 4244 1 8 . 1 1 65 65 ALA C C 65 180.460 180.460 174.900 5.560 18429 4245 1 8 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.487 0.736 18429 4246 1 8 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.769 -1.494 18429 4247 1 8 . 1 1 65 65 ALA H H 65 7.536 7.536 7.415 0.121 18429 4248 1 8 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.109 -0.137 18429 4249 1 8 . 1 1 66 66 PRO CA C 66 64.059 64.059 61.803 2.256 18429 4250 1 8 . 1 1 66 66 PRO CB C 66 31.377 31.377 29.758 1.619 18429 4251 1 8 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.712 -0.262 18429 4252 1 8 . 1 1 67 67 ASN CA C 67 56.342 56.342 51.939 4.403 18429 4253 1 8 . 1 1 67 67 ASN CB C 67 40.583 40.583 36.482 4.101 18429 4254 1 8 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.915 0.372 18429 4255 1 8 . 1 1 68 68 ALA C C 68 180.039 180.039 178.719 1.320 18429 4256 1 8 . 1 1 68 68 ALA CA C 68 54.958 54.958 55.035 -0.077 18429 4257 1 8 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.173 1.664 18429 4258 1 8 . 1 1 69 69 VAL N N 69 119.699 119.699 121.352 -1.653 18429 4259 1 8 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.756 0.053 18429 4260 1 8 . 1 1 69 69 VAL C C 69 178.578 178.578 177.117 1.461 18429 4261 1 8 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.239 0.671 18429 4262 1 8 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.364 -0.043 18429 4263 1 8 . 1 1 69 69 VAL H H 69 7.968 7.968 8.160 -0.192 18429 4264 1 8 . 1 1 70 70 MET N N 70 119.158 119.158 118.402 0.756 18429 4265 1 8 . 1 1 70 70 MET HA H 70 4.411 4.411 4.126 0.285 18429 4266 1 8 . 1 1 70 70 MET C C 70 177.858 177.858 177.697 0.161 18429 4267 1 8 . 1 1 70 70 MET CA C 70 56.540 56.540 58.859 -2.319 18429 4268 1 8 . 1 1 70 70 MET CB C 70 31.927 31.927 32.410 -0.482 18429 4269 1 8 . 1 1 70 70 MET H H 70 8.195 8.195 7.827 0.368 18429 4270 1 8 . 1 1 71 71 GLU N N 71 119.109 119.109 119.279 -0.170 18429 4271 1 8 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.440 0.082 18429 4272 1 8 . 1 1 71 71 GLU C C 71 178.949 178.949 178.127 0.822 18429 4273 1 8 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.410 0.391 18429 4274 1 8 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.001 0.686 18429 4275 1 8 . 1 1 71 71 GLU H H 71 8.122 8.122 7.994 0.128 18429 4276 1 8 . 1 1 72 72 GLN N N 72 118.471 118.471 119.573 -1.102 18429 4277 1 8 . 1 1 72 72 GLN HA H 72 4.122 4.122 3.971 0.151 18429 4278 1 8 . 1 1 72 72 GLN C C 72 178.597 178.597 178.148 0.449 18429 4279 1 8 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.768 -0.253 18429 4280 1 8 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.417 -0.306 18429 4281 1 8 . 1 1 72 72 GLN H H 72 7.662 7.662 7.451 0.211 18429 4282 1 8 . 1 1 73 73 LEU N N 73 120.880 120.880 119.001 1.879 18429 4283 1 8 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.091 -0.047 18429 4284 1 8 . 1 1 73 73 LEU C C 73 178.992 178.992 179.269 -0.277 18429 4285 1 8 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.209 0.838 18429 4286 1 8 . 1 1 73 73 LEU CB C 73 41.377 41.377 40.648 0.729 18429 4287 1 8 . 1 1 73 73 LEU H H 73 8.170 8.170 7.528 0.642 18429 4288 1 8 . 1 1 74 74 LEU N N 74 119.628 119.628 120.556 -0.928 18429 4289 1 8 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.806 0.146 18429 4290 1 8 . 1 1 74 74 LEU C C 74 179.088 179.088 178.594 0.494 18429 4291 1 8 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.158 -0.384 18429 4292 1 8 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.655 -0.588 18429 4293 1 8 . 1 1 74 74 LEU H H 74 8.396 8.396 7.470 0.926 18429 4294 1 8 . 1 1 75 75 GLU N N 75 119.588 119.588 118.791 0.797 18429 4295 1 8 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.847 0.198 18429 4296 1 8 . 1 1 75 75 GLU C C 75 179.772 179.772 178.878 0.894 18429 4297 1 8 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.456 -0.195 18429 4298 1 8 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.501 -0.634 18429 4299 1 8 . 1 1 75 75 GLU H H 75 7.622 7.622 7.872 -0.250 18429 4300 1 8 . 1 1 76 76 GLU N N 76 118.750 118.750 118.481 0.269 18429 4301 1 8 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.082 0.007 18429 4302 1 8 . 1 1 76 76 GLU C C 76 180.103 180.103 179.347 0.756 18429 4303 1 8 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.971 0.139 18429 4304 1 8 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.312 0.053 18429 4305 1 8 . 1 1 76 76 GLU H H 76 8.127 8.127 7.885 0.242 18429 4306 1 8 . 1 1 77 77 ILE N N 77 121.044 121.044 119.686 1.358 18429 4307 1 8 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.658 0.166 18429 4308 1 8 . 1 1 77 77 ILE C C 77 177.219 177.219 177.488 -0.269 18429 4309 1 8 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.312 -0.766 18429 4310 1 8 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.649 -0.502 18429 4311 1 8 . 1 1 77 77 ILE H H 77 8.715 8.715 7.533 1.182 18429 4312 1 8 . 1 1 78 78 GLU N N 78 121.847 121.847 121.016 0.831 18429 4313 1 8 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.946 0.096 18429 4314 1 8 . 1 1 78 78 GLU C C 78 179.644 179.644 178.903 0.741 18429 4315 1 8 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.996 -0.510 18429 4316 1 8 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.253 -0.267 18429 4317 1 8 . 1 1 78 78 GLU H H 78 8.161 8.161 7.776 0.385 18429 4318 1 8 . 1 1 79 79 LYS N N 79 118.842 118.842 118.365 0.477 18429 4319 1 8 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.105 -0.143 18429 4320 1 8 . 1 1 79 79 LYS C C 79 179.729 179.729 179.154 0.575 18429 4321 1 8 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.103 1.637 18429 4322 1 8 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.722 0.708 18429 4323 1 8 . 1 1 79 79 LYS H H 79 7.756 7.756 7.532 0.224 18429 4324 1 8 . 1 1 80 80 LEU N N 80 120.440 120.440 121.382 -0.942 18429 4325 1 8 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.167 -0.114 18429 4326 1 8 . 1 1 80 80 LEU C C 80 178.939 178.939 178.818 0.121 18429 4327 1 8 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.621 0.334 18429 4328 1 8 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.297 0.378 18429 4329 1 8 . 1 1 80 80 LEU H H 80 7.805 7.805 7.366 0.439 18429 4330 1 8 . 1 1 81 81 LEU N N 81 119.519 119.519 119.150 0.369 18429 4331 1 8 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.984 -0.029 18429 4332 1 8 . 1 1 81 81 LEU C C 81 179.366 179.366 178.629 0.737 18429 4333 1 8 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.166 -0.390 18429 4334 1 8 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.435 0.182 18429 4335 1 8 . 1 1 81 81 LEU H H 81 8.423 8.423 8.060 0.363 18429 4336 1 8 . 1 1 82 82 LYS N N 82 119.070 119.070 119.351 -0.281 18429 4337 1 8 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.931 0.200 18429 4338 1 8 . 1 1 82 82 LYS C C 82 179.237 179.237 178.682 0.555 18429 4339 1 8 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.453 -0.581 18429 4340 1 8 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.456 -0.244 18429 4341 1 8 . 1 1 82 82 LYS H H 82 7.804 7.804 7.758 0.046 18429 4342 1 8 . 1 1 83 83 LYS N N 83 119.647 119.647 118.272 1.375 18429 4343 1 8 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.161 0.080 18429 4344 1 8 . 1 1 83 83 LYS C C 83 178.234 178.234 178.514 -0.280 18429 4345 1 8 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.670 -1.342 18429 4346 1 8 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.918 -0.729 18429 4347 1 8 . 1 1 83 83 LYS H H 83 7.737 7.737 7.548 0.189 18429 4348 1 8 . 1 1 84 84 ALA N N 84 122.121 122.121 118.469 3.652 18429 4349 1 8 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.588 -0.518 18429 4350 1 8 . 1 1 84 84 ALA C C 84 179.003 179.003 178.471 0.532 18429 4351 1 8 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.327 1.595 18429 4352 1 8 . 1 1 84 84 ALA CB C 84 18.175 18.175 20.361 -2.186 18429 4353 1 8 . 1 1 84 84 ALA H H 84 8.259 8.259 8.074 0.185 18429 4354 1 8 . 1 1 85 85 GLY N N 85 105.518 105.518 107.003 -1.485 18429 4355 1 8 . 1 1 85 85 GLY C C 85 174.759 174.759 173.765 0.994 18429 4356 1 8 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.625 1.112 18429 4357 1 8 . 1 1 85 85 GLY H H 85 8.191 8.191 7.644 0.547 18429 4358 1 8 . 1 1 86 86 SER N N 86 114.680 114.680 116.876 -2.196 18429 4359 1 8 . 1 1 86 86 SER HA H 86 4.512 4.512 3.995 0.517 18429 4360 1 8 . 1 1 86 86 SER C C 86 174.452 174.452 174.304 0.148 18429 4361 1 8 . 1 1 86 86 SER CA C 86 58.641 58.641 58.807 -0.167 18429 4362 1 8 . 1 1 86 86 SER CB C 86 63.751 63.751 62.776 0.975 18429 4363 1 8 . 1 1 86 86 SER H H 86 7.884 7.884 8.238 -0.354 18429 4364 1 8 . 1 1 87 87 LEU N N 87 122.300 122.300 114.652 7.648 18429 4365 1 8 . 1 1 87 87 LEU HA H 87 4.332 4.332 3.991 0.341 18429 4366 1 8 . 1 1 87 87 LEU C C 87 176.845 176.845 177.186 -0.341 18429 4367 1 8 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.413 -0.420 18429 4368 1 8 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.099 1.825 18429 4369 1 8 . 1 1 87 87 LEU H H 87 7.806 7.806 8.139 -0.333 18429 4370 1 8 . 1 1 88 88 VAL N N 88 120.869 120.869 116.269 4.600 18429 4371 1 8 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.261 0.126 18429 4372 1 8 . 1 1 88 88 VAL C C 88 174.367 174.367 175.384 -1.017 18429 4373 1 8 . 1 1 88 88 VAL CA C 88 59.756 59.756 61.442 -1.686 18429 4374 1 8 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.636 0.742 18429 4375 1 8 . 1 1 88 88 VAL H H 88 7.849 7.849 7.547 0.302 18429 4376 1 8 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.567 -0.155 18429 4377 1 8 . 1 1 89 89 PRO C C 89 176.898 176.898 176.495 0.403 18429 4378 1 8 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.058 0.871 18429 4379 1 8 . 1 1 89 89 PRO CB C 89 31.926 31.926 30.591 1.335 18429 4380 1 8 . 1 1 90 90 ARG N N 90 121.893 121.893 119.131 2.762 18429 4381 1 8 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.068 0.223 18429 4382 1 8 . 1 1 90 90 ARG C C 90 177.081 177.081 176.468 0.613 18429 4383 1 8 . 1 1 90 90 ARG CA C 90 56.325 56.325 57.007 -0.682 18429 4384 1 8 . 1 1 90 90 ARG CB C 90 30.554 30.554 28.791 1.763 18429 4385 1 8 . 1 1 90 90 ARG H H 90 8.528 8.528 7.527 1.001 18429 4386 1 8 . 1 1 91 91 GLY N N 91 109.932 109.932 106.221 3.711 18429 4387 1 8 . 1 1 91 91 GLY C C 91 174.324 174.324 174.208 0.116 18429 4388 1 8 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.739 0.555 18429 4389 1 8 . 1 1 91 91 GLY H H 91 8.551 8.551 8.349 0.202 18429 4390 1 8 . 1 1 92 92 SER N N 92 115.612 115.612 114.793 0.819 18429 4391 1 8 . 1 1 92 92 SER HA H 92 4.407 4.407 4.222 0.185 18429 4392 1 8 . 1 1 92 92 SER C C 92 174.463 174.463 173.825 0.638 18429 4393 1 8 . 1 1 92 92 SER CA C 92 58.310 58.310 58.468 -0.158 18429 4394 1 8 . 1 1 92 92 SER CB C 92 63.616 63.616 63.688 -0.072 18429 4395 1 8 . 1 1 92 92 SER H H 92 8.183 8.183 7.760 0.423 18429 4396 1 8 . 1 1 93 93 TYR N N 93 122.140 122.140 123.207 -1.067 18429 4397 1 8 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.677 -0.171 18429 4398 1 8 . 1 1 93 93 TYR C C 93 175.659 175.659 174.447 1.212 18429 4399 1 8 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.188 -0.083 18429 4400 1 8 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.913 -0.622 18429 4401 1 8 . 1 1 93 93 TYR H H 93 8.206 8.206 8.530 -0.324 18429 4402 1 8 . 1 1 94 94 LEU N N 94 123.025 123.025 120.689 2.336 18429 4403 1 8 . 1 1 94 94 LEU HA H 94 4.199 4.199 3.940 0.259 18429 4404 1 8 . 1 1 94 94 LEU C C 94 177.037 177.037 175.742 1.295 18429 4405 1 8 . 1 1 94 94 LEU CA C 94 54.945 54.945 55.756 -0.811 18429 4406 1 8 . 1 1 94 94 LEU CB C 94 42.166 42.166 40.566 1.600 18429 4407 1 8 . 1 1 94 94 LEU H H 94 8.007 8.007 7.646 0.361 18429 4408 1 8 . 1 1 95 95 GLU N N 95 120.848 120.848 122.512 -1.664 18429 4409 1 8 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.035 0.082 18429 4410 1 8 . 1 1 95 95 GLU C C 95 176.268 176.268 176.488 -0.220 18429 4411 1 8 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.872 -0.159 18429 4412 1 8 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.832 0.214 18429 4413 1 8 . 1 1 95 95 GLU H H 95 8.141 8.141 8.662 -0.521 18429 4414 1 8 . 1 1 96 96 HIS N N 96 119.288 119.288 122.338 -3.050 18429 4415 1 8 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.416 0.154 18429 4416 1 8 . 1 1 96 96 HIS C C 96 174.100 174.100 175.702 -1.602 18429 4417 1 8 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.457 0.382 18429 4418 1 8 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.410 -0.006 18429 4419 1 8 . 1 1 96 96 HIS H H 96 8.144 8.144 8.272 -0.128 18429 4420 1 8 . 1 1 97 97 HIS N N 97 125.622 125.622 118.663 6.959 18429 4421 1 8 . 1 1 97 97 HIS C C 97 179.480 179.480 176.097 3.383 18429 4422 1 8 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.833 0.614 18429 4423 1 8 . 1 1 97 97 HIS CB C 97 30.754 30.754 30.018 0.736 18429 4424 1 8 . 1 1 97 97 HIS H H 97 8.017 8.017 8.635 -0.618 18429 4425 1 9 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.225 0.091 18429 4426 1 9 . 1 1 2 2 GLN C C 2 177.028 177.028 176.080 0.948 18429 4427 1 9 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.514 0.286 18429 4428 1 9 . 1 1 2 2 GLN CB C 2 28.884 28.884 28.680 0.204 18429 4429 1 9 . 1 1 3 3 GLU N N 3 123.654 123.654 121.189 2.465 18429 4430 1 9 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.329 -0.252 18429 4431 1 9 . 1 1 3 3 GLU C C 3 177.945 177.945 177.674 0.271 18429 4432 1 9 . 1 1 3 3 GLU CA C 3 59.110 59.110 55.757 3.353 18429 4433 1 9 . 1 1 3 3 GLU CB C 3 29.343 29.343 30.418 -1.075 18429 4434 1 9 . 1 1 3 3 GLU H H 3 8.995 8.995 7.752 1.243 18429 4435 1 9 . 1 1 4 4 GLU N N 4 119.237 119.237 122.949 -3.712 18429 4436 1 9 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.970 0.099 18429 4437 1 9 . 1 1 4 4 GLU C C 4 178.815 178.815 178.243 0.572 18429 4438 1 9 . 1 1 4 4 GLU CA C 4 59.152 59.152 58.846 0.306 18429 4439 1 9 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.305 -0.087 18429 4440 1 9 . 1 1 4 4 GLU H H 4 8.837 8.837 8.846 -0.009 18429 4441 1 9 . 1 1 5 5 ARG N N 5 120.052 120.052 118.289 1.763 18429 4442 1 9 . 1 1 5 5 ARG HA H 5 3.951 3.951 3.958 -0.007 18429 4443 1 9 . 1 1 5 5 ARG C C 5 177.324 177.324 178.490 -1.166 18429 4444 1 9 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.114 0.127 18429 4445 1 9 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.844 0.137 18429 4446 1 9 . 1 1 5 5 ARG H H 5 7.884 7.884 8.277 -0.393 18429 4447 1 9 . 1 1 6 6 LYS N N 6 119.327 119.327 118.414 0.913 18429 4448 1 9 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.079 -0.099 18429 4449 1 9 . 1 1 6 6 LYS C C 6 178.939 178.939 178.768 0.171 18429 4450 1 9 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.753 0.579 18429 4451 1 9 . 1 1 6 6 LYS CB C 6 32.154 32.154 32.040 0.114 18429 4452 1 9 . 1 1 6 6 LYS H H 6 7.998 7.998 7.692 0.306 18429 4453 1 9 . 1 1 7 7 LYS N N 7 117.908 117.908 119.640 -1.732 18429 4454 1 9 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.134 -0.038 18429 4455 1 9 . 1 1 7 7 LYS C C 7 179.332 179.332 178.777 0.555 18429 4456 1 9 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.185 0.582 18429 4457 1 9 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.880 0.417 18429 4458 1 9 . 1 1 7 7 LYS H H 7 7.917 7.917 7.946 -0.029 18429 4459 1 9 . 1 1 8 8 LEU N N 8 120.724 120.724 121.734 -1.010 18429 4460 1 9 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.057 -0.008 18429 4461 1 9 . 1 1 8 8 LEU C C 8 178.490 178.490 178.626 -0.136 18429 4462 1 9 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.731 -0.042 18429 4463 1 9 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.870 -0.265 18429 4464 1 9 . 1 1 8 8 LEU H H 8 7.686 7.686 8.316 -0.630 18429 4465 1 9 . 1 1 9 9 LEU N N 9 118.886 118.886 118.175 0.711 18429 4466 1 9 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.894 0.044 18429 4467 1 9 . 1 1 9 9 LEU C C 9 178.981 178.981 178.746 0.235 18429 4468 1 9 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.832 0.126 18429 4469 1 9 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.224 -0.382 18429 4470 1 9 . 1 1 9 9 LEU H H 9 8.158 8.158 7.675 0.483 18429 4471 1 9 . 1 1 10 10 GLU N N 10 119.000 119.000 119.703 -0.703 18429 4472 1 9 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.987 0.065 18429 4473 1 9 . 1 1 10 10 GLU C C 10 179.601 179.601 178.676 0.925 18429 4474 1 9 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.276 0.002 18429 4475 1 9 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.109 0.177 18429 4476 1 9 . 1 1 10 10 GLU H H 10 8.069 8.069 7.759 0.310 18429 4477 1 9 . 1 1 11 11 LYS N N 11 119.446 119.446 120.544 -1.098 18429 4478 1 9 . 1 1 11 11 LYS HA H 11 4.083 4.083 3.985 0.098 18429 4479 1 9 . 1 1 11 11 LYS C C 11 178.971 178.971 178.423 0.548 18429 4480 1 9 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.211 -0.438 18429 4481 1 9 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.890 0.106 18429 4482 1 9 . 1 1 11 11 LYS H H 11 7.676 7.676 7.630 0.046 18429 4483 1 9 . 1 1 12 12 LEU N N 12 120.017 120.017 120.135 -0.118 18429 4484 1 9 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.954 -0.070 18429 4485 1 9 . 1 1 12 12 LEU C C 12 177.977 177.977 178.708 -0.731 18429 4486 1 9 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.102 -0.377 18429 4487 1 9 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.182 0.395 18429 4488 1 9 . 1 1 12 12 LEU H H 12 8.378 8.378 7.475 0.903 18429 4489 1 9 . 1 1 13 13 GLU N N 13 117.914 117.914 117.608 0.306 18429 4490 1 9 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.855 -0.159 18429 4491 1 9 . 1 1 13 13 GLU C C 13 177.934 177.934 179.292 -1.358 18429 4492 1 9 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.252 0.864 18429 4493 1 9 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.810 0.588 18429 4494 1 9 . 1 1 13 13 GLU H H 13 8.458 8.458 8.101 0.357 18429 4495 1 9 . 1 1 14 14 LYS N N 14 117.629 117.629 119.723 -2.094 18429 4496 1 9 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.081 0.054 18429 4497 1 9 . 1 1 14 14 LYS C C 14 179.227 179.227 178.981 0.246 18429 4498 1 9 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.559 0.307 18429 4499 1 9 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.021 0.106 18429 4500 1 9 . 1 1 14 14 LYS H H 14 7.365 7.365 7.467 -0.102 18429 4501 1 9 . 1 1 15 15 ILE N N 15 119.583 119.583 120.105 -0.522 18429 4502 1 9 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.714 0.063 18429 4503 1 9 . 1 1 15 15 ILE C C 15 178.009 178.009 178.344 -0.335 18429 4504 1 9 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.399 -0.510 18429 4505 1 9 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.838 0.362 18429 4506 1 9 . 1 1 15 15 ILE H H 15 7.726 7.726 7.782 -0.056 18429 4507 1 9 . 1 1 16 16 LEU N N 16 118.601 118.601 119.208 -0.607 18429 4508 1 9 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.940 -0.087 18429 4509 1 9 . 1 1 16 16 LEU C C 16 179.729 179.729 178.895 0.834 18429 4510 1 9 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.203 -0.361 18429 4511 1 9 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.807 -0.170 18429 4512 1 9 . 1 1 16 16 LEU H H 16 8.372 8.372 7.991 0.381 18429 4513 1 9 . 1 1 17 17 ASP N N 17 120.008 120.008 119.955 0.053 18429 4514 1 9 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.399 -0.063 18429 4515 1 9 . 1 1 17 17 ASP C C 17 178.148 178.148 178.562 -0.414 18429 4516 1 9 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.269 0.020 18429 4517 1 9 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.065 -0.797 18429 4518 1 9 . 1 1 17 17 ASP H H 17 8.192 8.192 7.783 0.409 18429 4519 1 9 . 1 1 18 18 GLU N N 18 119.362 119.362 119.275 0.087 18429 4520 1 9 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.067 0.084 18429 4521 1 9 . 1 1 18 18 GLU C C 18 179.653 179.653 179.376 0.277 18429 4522 1 9 . 1 1 18 18 GLU CA C 18 59.255 59.255 59.281 -0.026 18429 4523 1 9 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.506 -0.306 18429 4524 1 9 . 1 1 18 18 GLU H H 18 7.860 7.860 7.820 0.040 18429 4525 1 9 . 1 1 19 19 VAL N N 19 118.483 118.483 118.012 0.471 18429 4526 1 9 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.852 -0.026 18429 4527 1 9 . 1 1 19 19 VAL C C 19 177.496 177.496 177.580 -0.084 18429 4528 1 9 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.112 -1.214 18429 4529 1 9 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.858 -0.049 18429 4530 1 9 . 1 1 19 19 VAL H H 19 8.416 8.416 8.179 0.237 18429 4531 1 9 . 1 1 20 20 THR N N 20 112.904 112.904 110.044 2.860 18429 4532 1 9 . 1 1 20 20 THR HA H 20 3.856 3.856 4.074 -0.218 18429 4533 1 9 . 1 1 20 20 THR C C 20 175.894 175.894 175.519 0.375 18429 4534 1 9 . 1 1 20 20 THR CA C 20 65.696 65.696 65.057 0.639 18429 4535 1 9 . 1 1 20 20 THR CB C 20 68.587 68.587 69.018 -0.431 18429 4536 1 9 . 1 1 20 20 THR H H 20 7.985 7.985 7.841 0.144 18429 4537 1 9 . 1 1 21 21 ASP N N 21 120.510 120.510 121.311 -0.801 18429 4538 1 9 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.489 -0.046 18429 4539 1 9 . 1 1 21 21 ASP C C 21 177.358 177.358 177.748 -0.390 18429 4540 1 9 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.819 -0.451 18429 4541 1 9 . 1 1 21 21 ASP CB C 21 40.873 40.873 41.284 -0.411 18429 4542 1 9 . 1 1 21 21 ASP H H 21 7.935 7.935 7.845 0.090 18429 4543 1 9 . 1 1 22 22 GLY N N 22 106.730 106.730 108.387 -1.657 18429 4544 1 9 . 1 1 22 22 GLY C C 22 174.004 174.004 173.270 0.734 18429 4545 1 9 . 1 1 22 22 GLY CA C 22 44.827 44.827 45.024 -0.197 18429 4546 1 9 . 1 1 22 22 GLY H H 22 7.939 7.939 7.932 0.007 18429 4547 1 9 . 1 1 23 23 ALA N N 23 124.286 124.286 120.885 3.401 18429 4548 1 9 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.118 0.390 18429 4549 1 9 . 1 1 23 23 ALA C C 23 174.921 174.921 175.370 -0.449 18429 4550 1 9 . 1 1 23 23 ALA CA C 23 50.351 50.351 52.011 -1.660 18429 4551 1 9 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.169 -0.665 18429 4552 1 9 . 1 1 23 23 ALA H H 23 7.531 7.531 8.156 -0.625 18429 4553 1 9 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.526 0.037 18429 4554 1 9 . 1 1 24 24 PRO C C 24 177.571 177.571 177.006 0.565 18429 4555 1 9 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.759 -0.269 18429 4556 1 9 . 1 1 24 24 PRO CB C 24 32.098 32.098 29.897 2.201 18429 4557 1 9 . 1 1 25 25 ASP N N 25 122.828 122.828 122.844 -0.016 18429 4558 1 9 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.080 0.175 18429 4559 1 9 . 1 1 25 25 ASP C C 25 178.298 178.298 177.517 0.781 18429 4560 1 9 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.054 1.009 18429 4561 1 9 . 1 1 25 25 ASP CB C 25 40.517 40.517 38.773 1.744 18429 4562 1 9 . 1 1 25 25 ASP H H 25 8.779 8.779 8.534 0.245 18429 4563 1 9 . 1 1 26 26 GLU N N 26 117.055 117.055 121.459 -4.404 18429 4564 1 9 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.201 -0.066 18429 4565 1 9 . 1 1 26 26 GLU C C 26 177.454 177.454 178.531 -1.077 18429 4566 1 9 . 1 1 26 26 GLU CA C 26 59.224 59.224 57.748 1.476 18429 4567 1 9 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.434 -0.880 18429 4568 1 9 . 1 1 26 26 GLU H H 26 9.324 9.324 8.301 1.023 18429 4569 1 9 . 1 1 27 27 ALA N N 27 120.789 120.789 122.346 -1.557 18429 4570 1 9 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.187 0.224 18429 4571 1 9 . 1 1 27 27 ALA C C 27 178.065 178.065 177.988 0.077 18429 4572 1 9 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.630 -0.751 18429 4573 1 9 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.562 1.334 18429 4574 1 9 . 1 1 27 27 ALA H H 27 7.474 7.474 8.113 -0.639 18429 4575 1 9 . 1 1 28 28 ARG N N 28 118.872 118.872 118.919 -0.047 18429 4576 1 9 . 1 1 28 28 ARG HA H 28 3.675 3.675 4.002 -0.327 18429 4577 1 9 . 1 1 28 28 ARG C C 28 177.550 177.550 177.631 -0.081 18429 4578 1 9 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.798 0.804 18429 4579 1 9 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.325 -0.781 18429 4580 1 9 . 1 1 28 28 ARG H H 28 7.803 7.803 7.620 0.183 18429 4581 1 9 . 1 1 29 29 GLU N N 29 117.512 117.512 117.665 -0.153 18429 4582 1 9 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.301 -0.259 18429 4583 1 9 . 1 1 29 29 GLU C C 29 179.122 179.122 179.213 -0.091 18429 4584 1 9 . 1 1 29 29 GLU CA C 29 59.607 59.607 58.868 0.739 18429 4585 1 9 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.208 1.033 18429 4586 1 9 . 1 1 29 29 GLU H H 29 8.490 8.490 7.974 0.516 18429 4587 1 9 . 1 1 30 30 ARG N N 30 119.240 119.240 119.497 -0.257 18429 4588 1 9 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.112 0.022 18429 4589 1 9 . 1 1 30 30 ARG C C 30 179.248 179.248 178.649 0.599 18429 4590 1 9 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.657 0.172 18429 4591 1 9 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.270 0.595 18429 4592 1 9 . 1 1 30 30 ARG H H 30 7.789 7.789 7.869 -0.080 18429 4593 1 9 . 1 1 31 31 ILE N N 31 120.920 120.920 119.854 1.066 18429 4594 1 9 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.850 -0.112 18429 4595 1 9 . 1 1 31 31 ILE C C 31 177.089 177.089 178.170 -1.081 18429 4596 1 9 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.175 -1.357 18429 4597 1 9 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.600 -0.515 18429 4598 1 9 . 1 1 31 31 ILE H H 31 8.256 8.256 7.343 0.913 18429 4599 1 9 . 1 1 32 32 GLU N N 32 120.281 120.281 119.636 0.645 18429 4600 1 9 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.923 0.013 18429 4601 1 9 . 1 1 32 32 GLU C C 32 179.429 179.429 179.134 0.295 18429 4602 1 9 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.666 -0.107 18429 4603 1 9 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.295 0.108 18429 4604 1 9 . 1 1 32 32 GLU H H 32 8.697 8.697 8.327 0.370 18429 4605 1 9 . 1 1 33 33 LYS N N 33 119.737 119.737 119.642 0.095 18429 4606 1 9 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.050 0.008 18429 4607 1 9 . 1 1 33 33 LYS C C 33 178.159 178.159 179.215 -1.056 18429 4608 1 9 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.188 0.223 18429 4609 1 9 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.448 -0.398 18429 4610 1 9 . 1 1 33 33 LYS H H 33 7.764 7.764 7.464 0.300 18429 4611 1 9 . 1 1 34 34 LEU N N 34 120.133 120.133 120.605 -0.472 18429 4612 1 9 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.444 -0.212 18429 4613 1 9 . 1 1 34 34 LEU C C 34 178.629 178.629 178.696 -0.067 18429 4614 1 9 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.116 0.391 18429 4615 1 9 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.971 -0.174 18429 4616 1 9 . 1 1 34 34 LEU H H 34 7.790 7.790 7.641 0.149 18429 4617 1 9 . 1 1 35 35 ALA N N 35 119.492 119.492 120.828 -1.336 18429 4618 1 9 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.735 0.033 18429 4619 1 9 . 1 1 35 35 ALA C C 35 179.297 179.297 179.092 0.205 18429 4620 1 9 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.522 -0.499 18429 4621 1 9 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.142 0.049 18429 4622 1 9 . 1 1 35 35 ALA H H 35 8.634 8.634 8.406 0.228 18429 4623 1 9 . 1 1 36 36 LYS N N 36 118.470 118.470 118.265 0.205 18429 4624 1 9 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.975 -0.044 18429 4625 1 9 . 1 1 36 36 LYS C C 36 178.223 178.223 178.303 -0.080 18429 4626 1 9 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.686 -0.491 18429 4627 1 9 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.174 -0.119 18429 4628 1 9 . 1 1 36 36 LYS H H 36 7.704 7.704 7.593 0.111 18429 4629 1 9 . 1 1 37 37 ASP N N 37 120.075 120.075 118.901 1.174 18429 4630 1 9 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.402 0.001 18429 4631 1 9 . 1 1 37 37 ASP C C 37 179.334 179.334 178.721 0.613 18429 4632 1 9 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.186 -0.005 18429 4633 1 9 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.502 -0.525 18429 4634 1 9 . 1 1 37 37 ASP H H 37 8.203 8.203 7.694 0.509 18429 4635 1 9 . 1 1 38 38 VAL N N 38 118.202 118.202 119.107 -0.905 18429 4636 1 9 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.696 -0.073 18429 4637 1 9 . 1 1 38 38 VAL C C 38 177.017 177.017 177.559 -0.542 18429 4638 1 9 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.484 -0.816 18429 4639 1 9 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.040 0.197 18429 4640 1 9 . 1 1 38 38 VAL H H 38 8.215 8.215 7.618 0.597 18429 4641 1 9 . 1 1 39 39 LYS N N 39 119.236 119.236 119.748 -0.512 18429 4642 1 9 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.940 -0.130 18429 4643 1 9 . 1 1 39 39 LYS C C 39 178.575 178.575 178.883 -0.308 18429 4644 1 9 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.934 -0.221 18429 4645 1 9 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.870 0.221 18429 4646 1 9 . 1 1 39 39 LYS H H 39 7.780 7.780 7.380 0.400 18429 4647 1 9 . 1 1 40 40 ASP N N 40 118.227 118.227 119.021 -0.794 18429 4648 1 9 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.406 0.046 18429 4649 1 9 . 1 1 40 40 ASP C C 40 178.137 178.137 177.945 0.192 18429 4650 1 9 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.310 -0.887 18429 4651 1 9 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.183 0.227 18429 4652 1 9 . 1 1 40 40 ASP H H 40 8.273 8.273 8.180 0.093 18429 4653 1 9 . 1 1 41 41 GLU N N 41 119.896 119.896 118.028 1.868 18429 4654 1 9 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.138 0.093 18429 4655 1 9 . 1 1 41 41 GLU C C 41 177.849 177.849 178.787 -0.938 18429 4656 1 9 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.621 -1.236 18429 4657 1 9 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.455 0.276 18429 4658 1 9 . 1 1 41 41 GLU H H 41 7.875 7.875 7.520 0.355 18429 4659 1 9 . 1 1 42 42 LEU N N 42 119.906 119.906 119.951 -0.045 18429 4660 1 9 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.379 -0.255 18429 4661 1 9 . 1 1 42 42 LEU C C 42 178.276 178.276 179.554 -1.278 18429 4662 1 9 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.518 -0.805 18429 4663 1 9 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.786 0.362 18429 4664 1 9 . 1 1 42 42 LEU H H 42 7.952 7.952 7.807 0.145 18429 4665 1 9 . 1 1 43 43 GLU N N 43 117.735 117.735 118.363 -0.628 18429 4666 1 9 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.138 -0.003 18429 4667 1 9 . 1 1 43 43 GLU C C 43 177.582 177.582 177.378 0.204 18429 4668 1 9 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.789 0.015 18429 4669 1 9 . 1 1 43 43 GLU CB C 43 29.571 29.571 29.614 -0.043 18429 4670 1 9 . 1 1 43 43 GLU H H 43 8.020 8.020 7.905 0.115 18429 4671 1 9 . 1 1 44 44 GLU N N 44 116.308 116.308 115.966 0.342 18429 4672 1 9 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.489 -0.073 18429 4673 1 9 . 1 1 44 44 GLU C C 44 177.133 177.133 176.521 0.612 18429 4674 1 9 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.085 0.363 18429 4675 1 9 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.579 0.535 18429 4676 1 9 . 1 1 44 44 GLU H H 44 8.128 8.128 7.650 0.478 18429 4677 1 9 . 1 1 45 45 GLY N N 45 109.450 109.450 109.861 -0.411 18429 4678 1 9 . 1 1 45 45 GLY C C 45 173.685 173.685 171.974 1.711 18429 4679 1 9 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.944 0.430 18429 4680 1 9 . 1 1 45 45 GLY H H 45 8.156 8.156 7.634 0.522 18429 4681 1 9 . 1 1 46 46 ASP N N 46 120.995 120.995 117.229 3.766 18429 4682 1 9 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.662 0.026 18429 4683 1 9 . 1 1 46 46 ASP C C 46 176.375 176.375 175.292 1.083 18429 4684 1 9 . 1 1 46 46 ASP CA C 46 53.625 53.625 52.614 1.010 18429 4685 1 9 . 1 1 46 46 ASP CB C 46 41.207 41.207 42.511 -1.304 18429 4686 1 9 . 1 1 46 46 ASP H H 46 8.467 8.467 8.482 -0.015 18429 4687 1 9 . 1 1 47 47 ALA N N 47 124.626 124.626 121.183 3.443 18429 4688 1 9 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.545 -0.422 18429 4689 1 9 . 1 1 47 47 ALA C C 47 178.084 178.084 177.386 0.698 18429 4690 1 9 . 1 1 47 47 ALA CA C 47 53.941 53.941 50.684 3.257 18429 4691 1 9 . 1 1 47 47 ALA CB C 47 18.984 18.984 18.760 0.224 18429 4692 1 9 . 1 1 47 47 ALA H H 47 8.483 8.483 8.489 -0.006 18429 4693 1 9 . 1 1 48 48 LYS N N 48 118.214 118.214 121.279 -3.065 18429 4694 1 9 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.829 -0.028 18429 4695 1 9 . 1 1 48 48 LYS C C 48 177.582 177.582 177.661 -0.079 18429 4696 1 9 . 1 1 48 48 LYS CA C 48 60.112 60.112 60.391 -0.279 18429 4697 1 9 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.241 -0.081 18429 4698 1 9 . 1 1 48 48 LYS H H 48 8.349 8.349 7.731 0.618 18429 4699 1 9 . 1 1 49 49 ASN N N 49 116.387 116.387 116.118 0.269 18429 4700 1 9 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.684 -0.176 18429 4701 1 9 . 1 1 49 49 ASN C C 49 177.753 177.753 177.514 0.239 18429 4702 1 9 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.687 0.294 18429 4703 1 9 . 1 1 49 49 ASN CB C 49 38.365 38.365 37.596 0.769 18429 4704 1 9 . 1 1 49 49 ASN H H 49 8.184 8.184 8.810 -0.626 18429 4705 1 9 . 1 1 50 50 MET N N 50 118.627 118.627 117.864 0.763 18429 4706 1 9 . 1 1 50 50 MET HA H 50 4.335 4.335 4.260 0.075 18429 4707 1 9 . 1 1 50 50 MET C C 50 178.683 178.683 178.476 0.207 18429 4708 1 9 . 1 1 50 50 MET CA C 50 57.203 57.203 57.786 -0.583 18429 4709 1 9 . 1 1 50 50 MET CB C 50 32.289 32.289 31.635 0.654 18429 4710 1 9 . 1 1 50 50 MET H H 50 8.189 8.189 7.890 0.299 18429 4711 1 9 . 1 1 51 51 ILE N N 51 120.778 120.778 120.314 0.464 18429 4712 1 9 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.697 -0.004 18429 4713 1 9 . 1 1 51 51 ILE C C 51 177.667 177.667 178.080 -0.413 18429 4714 1 9 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.329 0.035 18429 4715 1 9 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.275 0.009 18429 4716 1 9 . 1 1 51 51 ILE H H 51 8.475 8.475 8.110 0.365 18429 4717 1 9 . 1 1 52 52 GLU N N 52 120.715 120.715 119.691 1.024 18429 4718 1 9 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.933 -0.094 18429 4719 1 9 . 1 1 52 52 GLU C C 52 178.201 178.201 178.984 -0.783 18429 4720 1 9 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.785 0.342 18429 4721 1 9 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.569 -0.323 18429 4722 1 9 . 1 1 52 52 GLU H H 52 8.372 8.372 7.713 0.659 18429 4723 1 9 . 1 1 53 53 LYS N N 53 118.426 118.426 118.082 0.344 18429 4724 1 9 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.186 -0.056 18429 4725 1 9 . 1 1 53 53 LYS C C 53 179.163 179.163 178.322 0.841 18429 4726 1 9 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.702 0.385 18429 4727 1 9 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.002 0.148 18429 4728 1 9 . 1 1 53 53 LYS H H 53 7.766 7.766 8.142 -0.376 18429 4729 1 9 . 1 1 54 54 PHE N N 54 120.522 120.522 122.239 -1.717 18429 4730 1 9 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.433 -0.331 18429 4731 1 9 . 1 1 54 54 PHE C C 54 176.920 176.920 177.386 -0.466 18429 4732 1 9 . 1 1 54 54 PHE CA C 54 61.537 61.537 60.790 0.747 18429 4733 1 9 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.454 -0.042 18429 4734 1 9 . 1 1 54 54 PHE H H 54 7.990 7.990 8.142 -0.152 18429 4735 1 9 . 1 1 55 55 ARG N N 55 120.870 120.870 119.015 1.855 18429 4736 1 9 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.843 -0.017 18429 4737 1 9 . 1 1 55 55 ARG C C 55 178.383 178.383 177.862 0.521 18429 4738 1 9 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.676 0.284 18429 4739 1 9 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.832 2.283 18429 4740 1 9 . 1 1 55 55 ARG H H 55 8.774 8.774 7.777 0.997 18429 4741 1 9 . 1 1 56 56 ASP N N 56 119.776 119.776 118.964 0.812 18429 4742 1 9 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.414 -0.087 18429 4743 1 9 . 1 1 56 56 ASP C C 56 179.398 179.398 178.482 0.916 18429 4744 1 9 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.219 0.337 18429 4745 1 9 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.606 -0.789 18429 4746 1 9 . 1 1 56 56 ASP H H 56 8.491 8.491 7.774 0.717 18429 4747 1 9 . 1 1 57 57 GLU N N 57 120.418 120.418 119.953 0.465 18429 4748 1 9 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.974 0.079 18429 4749 1 9 . 1 1 57 57 GLU C C 57 179.708 179.708 179.107 0.601 18429 4750 1 9 . 1 1 57 57 GLU CA C 57 58.894 58.894 59.211 -0.317 18429 4751 1 9 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.269 0.107 18429 4752 1 9 . 1 1 57 57 GLU H H 57 7.894 7.894 7.696 0.198 18429 4753 1 9 . 1 1 58 58 MET N N 58 119.674 119.674 117.895 1.779 18429 4754 1 9 . 1 1 58 58 MET HA H 58 4.090 4.090 3.921 0.169 18429 4755 1 9 . 1 1 58 58 MET C C 58 178.137 178.137 178.237 -0.100 18429 4756 1 9 . 1 1 58 58 MET CA C 58 58.568 58.568 59.299 -0.731 18429 4757 1 9 . 1 1 58 58 MET CB C 58 31.846 31.846 32.129 -0.283 18429 4758 1 9 . 1 1 58 58 MET H H 58 8.352 8.352 7.895 0.457 18429 4759 1 9 . 1 1 59 59 GLU N N 59 119.770 119.770 119.333 0.437 18429 4760 1 9 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.061 -0.111 18429 4761 1 9 . 1 1 59 59 GLU C C 59 178.939 178.939 179.035 -0.096 18429 4762 1 9 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.538 0.206 18429 4763 1 9 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.524 -0.347 18429 4764 1 9 . 1 1 59 59 GLU H H 59 8.717 8.717 8.092 0.625 18429 4765 1 9 . 1 1 60 60 GLN N N 60 117.895 117.895 119.915 -2.020 18429 4766 1 9 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.090 -0.119 18429 4767 1 9 . 1 1 60 60 GLN C C 60 178.052 178.052 178.575 -0.523 18429 4768 1 9 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.834 -0.580 18429 4769 1 9 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.759 -0.641 18429 4770 1 9 . 1 1 60 60 GLN H H 60 7.613 7.613 7.507 0.106 18429 4771 1 9 . 1 1 61 61 MET N N 61 118.464 118.464 116.352 2.112 18429 4772 1 9 . 1 1 61 61 MET HA H 61 4.080 4.080 4.269 -0.189 18429 4773 1 9 . 1 1 61 61 MET C C 61 178.545 178.545 178.413 0.132 18429 4774 1 9 . 1 1 61 61 MET CA C 61 58.972 58.972 58.506 0.466 18429 4775 1 9 . 1 1 61 61 MET CB C 61 32.309 32.309 32.410 -0.101 18429 4776 1 9 . 1 1 61 61 MET H H 61 7.943 7.943 7.944 -0.001 18429 4777 1 9 . 1 1 62 62 TYR N N 62 119.118 119.118 122.809 -3.691 18429 4778 1 9 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.385 -0.225 18429 4779 1 9 . 1 1 62 62 TYR C C 62 176.118 176.118 176.913 -0.795 18429 4780 1 9 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.985 -0.734 18429 4781 1 9 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.597 -0.208 18429 4782 1 9 . 1 1 62 62 TYR H H 62 8.313 8.313 8.207 0.106 18429 4783 1 9 . 1 1 63 63 LYS N N 63 117.899 117.899 118.924 -1.025 18429 4784 1 9 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.759 0.037 18429 4785 1 9 . 1 1 63 63 LYS C C 63 178.470 178.470 178.023 0.447 18429 4786 1 9 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.289 0.513 18429 4787 1 9 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.005 0.013 18429 4788 1 9 . 1 1 63 63 LYS H H 63 7.806 7.806 7.496 0.310 18429 4789 1 9 . 1 1 64 64 ASP N N 64 116.931 116.931 118.705 -1.774 18429 4790 1 9 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.431 0.054 18429 4791 1 9 . 1 1 64 64 ASP C C 64 176.460 176.460 175.866 0.594 18429 4792 1 9 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.880 -0.240 18429 4793 1 9 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.614 -0.418 18429 4794 1 9 . 1 1 64 64 ASP H H 64 7.771 7.771 7.943 -0.172 18429 4795 1 9 . 1 1 65 65 ALA N N 65 121.417 121.417 121.285 0.132 18429 4796 1 9 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.683 -0.091 18429 4797 1 9 . 1 1 65 65 ALA C C 65 180.460 180.460 174.612 5.848 18429 4798 1 9 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.381 0.842 18429 4799 1 9 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.688 -1.413 18429 4800 1 9 . 1 1 65 65 ALA H H 65 7.536 7.536 7.510 0.026 18429 4801 1 9 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.007 -0.035 18429 4802 1 9 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.402 1.657 18429 4803 1 9 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.135 0.242 18429 4804 1 9 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.935 -0.485 18429 4805 1 9 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.360 3.982 18429 4806 1 9 . 1 1 67 67 ASN CB C 67 40.583 40.583 41.821 -1.238 18429 4807 1 9 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.165 0.122 18429 4808 1 9 . 1 1 68 68 ALA C C 68 180.039 180.039 179.121 0.918 18429 4809 1 9 . 1 1 68 68 ALA CA C 68 54.958 54.958 55.125 -0.167 18429 4810 1 9 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.299 0.538 18429 4811 1 9 . 1 1 69 69 VAL N N 69 119.699 119.699 118.936 0.763 18429 4812 1 9 . 1 1 69 69 VAL HA H 69 3.809 3.809 4.048 -0.239 18429 4813 1 9 . 1 1 69 69 VAL C C 69 178.578 178.578 178.565 0.013 18429 4814 1 9 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.693 0.217 18429 4815 1 9 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.810 -0.489 18429 4816 1 9 . 1 1 69 69 VAL H H 69 7.968 7.968 8.130 -0.162 18429 4817 1 9 . 1 1 70 70 MET N N 70 119.158 119.158 119.191 -0.033 18429 4818 1 9 . 1 1 70 70 MET HA H 70 4.411 4.411 4.028 0.383 18429 4819 1 9 . 1 1 70 70 MET C C 70 177.858 177.858 177.606 0.252 18429 4820 1 9 . 1 1 70 70 MET CA C 70 56.540 56.540 58.551 -2.011 18429 4821 1 9 . 1 1 70 70 MET CB C 70 31.927 31.927 32.200 -0.273 18429 4822 1 9 . 1 1 70 70 MET H H 70 8.195 8.195 8.123 0.072 18429 4823 1 9 . 1 1 71 71 GLU N N 71 119.109 119.109 119.821 -0.712 18429 4824 1 9 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.304 0.218 18429 4825 1 9 . 1 1 71 71 GLU C C 71 178.949 178.949 178.730 0.219 18429 4826 1 9 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.482 0.319 18429 4827 1 9 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.242 0.445 18429 4828 1 9 . 1 1 71 71 GLU H H 71 8.122 8.122 8.035 0.087 18429 4829 1 9 . 1 1 72 72 GLN N N 72 118.471 118.471 118.295 0.176 18429 4830 1 9 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.038 0.084 18429 4831 1 9 . 1 1 72 72 GLN C C 72 178.597 178.597 178.887 -0.290 18429 4832 1 9 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.535 -0.020 18429 4833 1 9 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.668 -0.557 18429 4834 1 9 . 1 1 72 72 GLN H H 72 7.662 7.662 7.594 0.068 18429 4835 1 9 . 1 1 73 73 LEU N N 73 120.880 120.880 120.024 0.856 18429 4836 1 9 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.043 0.001 18429 4837 1 9 . 1 1 73 73 LEU C C 73 178.992 178.992 178.891 0.101 18429 4838 1 9 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.429 0.618 18429 4839 1 9 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.537 -0.160 18429 4840 1 9 . 1 1 73 73 LEU H H 73 8.170 8.170 7.569 0.601 18429 4841 1 9 . 1 1 74 74 LEU N N 74 119.628 119.628 119.793 -0.165 18429 4842 1 9 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.846 0.106 18429 4843 1 9 . 1 1 74 74 LEU C C 74 179.088 179.088 178.846 0.242 18429 4844 1 9 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.492 -0.718 18429 4845 1 9 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.175 -0.108 18429 4846 1 9 . 1 1 74 74 LEU H H 74 8.396 8.396 7.899 0.497 18429 4847 1 9 . 1 1 75 75 GLU N N 75 119.588 119.588 119.476 0.112 18429 4848 1 9 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.817 0.228 18429 4849 1 9 . 1 1 75 75 GLU C C 75 179.772 179.772 178.587 1.185 18429 4850 1 9 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.732 -0.471 18429 4851 1 9 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.378 -0.511 18429 4852 1 9 . 1 1 75 75 GLU H H 75 7.622 7.622 7.897 -0.275 18429 4853 1 9 . 1 1 76 76 GLU N N 76 118.750 118.750 118.804 -0.054 18429 4854 1 9 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.042 0.047 18429 4855 1 9 . 1 1 76 76 GLU C C 76 180.103 180.103 179.406 0.697 18429 4856 1 9 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.429 -0.320 18429 4857 1 9 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.460 -0.095 18429 4858 1 9 . 1 1 76 76 GLU H H 76 8.127 8.127 7.949 0.178 18429 4859 1 9 . 1 1 77 77 ILE N N 77 121.044 121.044 118.941 2.103 18429 4860 1 9 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.788 0.036 18429 4861 1 9 . 1 1 77 77 ILE C C 77 177.219 177.219 178.091 -0.872 18429 4862 1 9 . 1 1 77 77 ILE CA C 77 64.546 64.546 64.882 -0.336 18429 4863 1 9 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.862 -0.715 18429 4864 1 9 . 1 1 77 77 ILE H H 77 8.715 8.715 7.632 1.083 18429 4865 1 9 . 1 1 78 78 GLU N N 78 121.847 121.847 121.064 0.783 18429 4866 1 9 . 1 1 78 78 GLU HA H 78 4.042 4.042 4.005 0.037 18429 4867 1 9 . 1 1 78 78 GLU C C 78 179.644 179.644 178.966 0.678 18429 4868 1 9 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.899 -0.413 18429 4869 1 9 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.585 -0.599 18429 4870 1 9 . 1 1 78 78 GLU H H 78 8.161 8.161 8.066 0.095 18429 4871 1 9 . 1 1 79 79 LYS N N 79 118.842 118.842 119.167 -0.325 18429 4872 1 9 . 1 1 79 79 LYS HA H 79 3.962 3.962 3.992 -0.030 18429 4873 1 9 . 1 1 79 79 LYS C C 79 179.729 179.729 179.201 0.528 18429 4874 1 9 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.694 1.047 18429 4875 1 9 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.886 0.544 18429 4876 1 9 . 1 1 79 79 LYS H H 79 7.756 7.756 8.131 -0.375 18429 4877 1 9 . 1 1 80 80 LEU N N 80 120.440 120.440 120.792 -0.352 18429 4878 1 9 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.043 0.010 18429 4879 1 9 . 1 1 80 80 LEU C C 80 178.939 178.939 178.752 0.187 18429 4880 1 9 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.786 0.169 18429 4881 1 9 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.688 -0.012 18429 4882 1 9 . 1 1 80 80 LEU H H 80 7.805 7.805 7.524 0.281 18429 4883 1 9 . 1 1 81 81 LEU N N 81 119.519 119.519 119.118 0.401 18429 4884 1 9 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.905 0.050 18429 4885 1 9 . 1 1 81 81 LEU C C 81 179.366 179.366 178.238 1.128 18429 4886 1 9 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.843 -0.067 18429 4887 1 9 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.557 0.060 18429 4888 1 9 . 1 1 81 81 LEU H H 81 8.423 8.423 7.949 0.474 18429 4889 1 9 . 1 1 82 82 LYS N N 82 119.070 119.070 118.219 0.851 18429 4890 1 9 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.828 0.303 18429 4891 1 9 . 1 1 82 82 LYS C C 82 179.237 179.237 178.694 0.543 18429 4892 1 9 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.296 -0.424 18429 4893 1 9 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.313 -0.101 18429 4894 1 9 . 1 1 82 82 LYS H H 82 7.804 7.804 7.891 -0.087 18429 4895 1 9 . 1 1 83 83 LYS N N 83 119.647 119.647 116.545 3.102 18429 4896 1 9 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.099 0.142 18429 4897 1 9 . 1 1 83 83 LYS C C 83 178.234 178.234 177.223 1.011 18429 4898 1 9 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.545 -0.217 18429 4899 1 9 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.799 -0.610 18429 4900 1 9 . 1 1 83 83 LYS H H 83 7.737 7.737 7.570 0.167 18429 4901 1 9 . 1 1 84 84 ALA N N 84 122.121 122.121 121.518 0.603 18429 4902 1 9 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.405 -0.335 18429 4903 1 9 . 1 1 84 84 ALA C C 84 179.003 179.003 178.539 0.464 18429 4904 1 9 . 1 1 84 84 ALA CA C 84 53.922 53.922 51.887 2.035 18429 4905 1 9 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.515 -1.339 18429 4906 1 9 . 1 1 84 84 ALA H H 84 8.259 8.259 7.621 0.638 18429 4907 1 9 . 1 1 85 85 GLY N N 85 105.518 105.518 105.613 -0.095 18429 4908 1 9 . 1 1 85 85 GLY C C 85 174.759 174.759 174.086 0.673 18429 4909 1 9 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.631 0.106 18429 4910 1 9 . 1 1 85 85 GLY H H 85 8.191 8.191 8.597 -0.406 18429 4911 1 9 . 1 1 86 86 SER N N 86 114.680 114.680 117.173 -2.493 18429 4912 1 9 . 1 1 86 86 SER HA H 86 4.512 4.512 4.441 0.070 18429 4913 1 9 . 1 1 86 86 SER C C 86 174.452 174.452 174.477 -0.025 18429 4914 1 9 . 1 1 86 86 SER CA C 86 58.641 58.641 58.088 0.553 18429 4915 1 9 . 1 1 86 86 SER CB C 86 63.751 63.751 63.775 -0.024 18429 4916 1 9 . 1 1 86 86 SER H H 86 7.884 7.884 7.691 0.193 18429 4917 1 9 . 1 1 87 87 LEU N N 87 122.300 122.300 121.152 1.148 18429 4918 1 9 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.077 0.255 18429 4919 1 9 . 1 1 87 87 LEU C C 87 176.845 176.845 176.414 0.431 18429 4920 1 9 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.668 -0.676 18429 4921 1 9 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.147 1.777 18429 4922 1 9 . 1 1 87 87 LEU H H 87 7.806 7.806 7.960 -0.154 18429 4923 1 9 . 1 1 88 88 VAL N N 88 120.869 120.869 117.413 3.456 18429 4924 1 9 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.200 0.187 18429 4925 1 9 . 1 1 88 88 VAL C C 88 174.367 174.367 175.101 -0.734 18429 4926 1 9 . 1 1 88 88 VAL CA C 88 59.756 59.756 61.156 -1.400 18429 4927 1 9 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.062 1.316 18429 4928 1 9 . 1 1 88 88 VAL H H 88 7.849 7.849 7.833 0.016 18429 4929 1 9 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.850 -0.438 18429 4930 1 9 . 1 1 89 89 PRO C C 89 176.898 176.898 176.519 0.379 18429 4931 1 9 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.173 0.756 18429 4932 1 9 . 1 1 89 89 PRO CB C 89 31.926 31.926 33.341 -1.415 18429 4933 1 9 . 1 1 90 90 ARG N N 90 121.893 121.893 118.008 3.885 18429 4934 1 9 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.698 -0.407 18429 4935 1 9 . 1 1 90 90 ARG C C 90 177.081 177.081 178.210 -1.129 18429 4936 1 9 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.387 -0.062 18429 4937 1 9 . 1 1 90 90 ARG CB C 90 30.554 30.554 31.216 -0.662 18429 4938 1 9 . 1 1 90 90 ARG H H 90 8.528 8.528 8.331 0.197 18429 4939 1 9 . 1 1 91 91 GLY N N 91 109.932 109.932 108.317 1.615 18429 4940 1 9 . 1 1 91 91 GLY C C 91 174.324 174.324 175.509 -1.185 18429 4941 1 9 . 1 1 91 91 GLY CA C 91 45.293 45.293 46.445 -1.152 18429 4942 1 9 . 1 1 91 91 GLY H H 91 8.551 8.551 8.760 -0.209 18429 4943 1 9 . 1 1 92 92 SER N N 92 115.612 115.612 118.621 -3.009 18429 4944 1 9 . 1 1 92 92 SER HA H 92 4.407 4.407 4.247 0.160 18429 4945 1 9 . 1 1 92 92 SER C C 92 174.463 174.463 174.840 -0.377 18429 4946 1 9 . 1 1 92 92 SER CA C 92 58.310 58.310 59.732 -1.422 18429 4947 1 9 . 1 1 92 92 SER CB C 92 63.616 63.616 63.829 -0.213 18429 4948 1 9 . 1 1 92 92 SER H H 92 8.183 8.183 8.096 0.087 18429 4949 1 9 . 1 1 93 93 TYR N N 93 122.140 122.140 121.045 1.095 18429 4950 1 9 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.575 -0.069 18429 4951 1 9 . 1 1 93 93 TYR C C 93 175.659 175.659 174.028 1.631 18429 4952 1 9 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.826 0.279 18429 4953 1 9 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.089 0.202 18429 4954 1 9 . 1 1 93 93 TYR H H 93 8.206 8.206 7.931 0.275 18429 4955 1 9 . 1 1 94 94 LEU N N 94 123.025 123.025 126.087 -3.062 18429 4956 1 9 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.562 -0.363 18429 4957 1 9 . 1 1 94 94 LEU C C 94 177.037 177.037 175.349 1.688 18429 4958 1 9 . 1 1 94 94 LEU CA C 94 54.945 54.945 55.000 -0.055 18429 4959 1 9 . 1 1 94 94 LEU CB C 94 42.166 42.166 43.569 -1.403 18429 4960 1 9 . 1 1 94 94 LEU H H 94 8.007 8.007 8.132 -0.125 18429 4961 1 9 . 1 1 95 95 GLU N N 95 120.848 120.848 124.303 -3.455 18429 4962 1 9 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.543 -0.427 18429 4963 1 9 . 1 1 95 95 GLU C C 95 176.268 176.268 175.505 0.763 18429 4964 1 9 . 1 1 95 95 GLU CA C 95 56.713 56.713 55.022 1.691 18429 4965 1 9 . 1 1 95 95 GLU CB C 95 30.046 30.046 31.955 -1.909 18429 4966 1 9 . 1 1 95 95 GLU H H 95 8.141 8.141 8.310 -0.169 18429 4967 1 9 . 1 1 96 96 HIS N N 96 119.288 119.288 122.853 -3.565 18429 4968 1 9 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.629 -0.059 18429 4969 1 9 . 1 1 96 96 HIS C C 96 174.100 174.100 174.844 -0.744 18429 4970 1 9 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.818 0.021 18429 4971 1 9 . 1 1 96 96 HIS CB C 96 30.404 30.404 28.849 1.555 18429 4972 1 9 . 1 1 96 96 HIS H H 96 8.144 8.144 8.829 -0.685 18429 4973 1 9 . 1 1 97 97 HIS N N 97 125.622 125.622 124.566 1.056 18429 4974 1 9 . 1 1 97 97 HIS C C 97 179.480 179.480 175.016 4.464 18429 4975 1 9 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.010 1.437 18429 4976 1 9 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.040 1.714 18429 4977 1 9 . 1 1 97 97 HIS H H 97 8.017 8.017 7.921 0.096 18429 4978 1 10 . 1 1 2 2 GLN HA H 2 4.316 4.316 3.982 0.334 18429 4979 1 10 . 1 1 2 2 GLN C C 2 177.028 177.028 175.958 1.070 18429 4980 1 10 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.860 -0.060 18429 4981 1 10 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.073 -0.189 18429 4982 1 10 . 1 1 3 3 GLU N N 3 123.654 123.654 120.036 3.618 18429 4983 1 10 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.100 -0.023 18429 4984 1 10 . 1 1 3 3 GLU C C 3 177.945 177.945 178.198 -0.253 18429 4985 1 10 . 1 1 3 3 GLU CA C 3 59.110 59.110 58.396 0.714 18429 4986 1 10 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.610 -0.267 18429 4987 1 10 . 1 1 3 3 GLU H H 3 8.995 8.995 8.670 0.325 18429 4988 1 10 . 1 1 4 4 GLU N N 4 119.237 119.237 119.666 -0.429 18429 4989 1 10 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.067 0.002 18429 4990 1 10 . 1 1 4 4 GLU C C 4 178.815 178.815 178.851 -0.036 18429 4991 1 10 . 1 1 4 4 GLU CA C 4 59.152 59.152 59.851 -0.699 18429 4992 1 10 . 1 1 4 4 GLU CB C 4 29.218 29.218 28.613 0.605 18429 4993 1 10 . 1 1 4 4 GLU H H 4 8.837 8.837 8.825 0.012 18429 4994 1 10 . 1 1 5 5 ARG N N 5 120.052 120.052 118.738 1.314 18429 4995 1 10 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.064 -0.113 18429 4996 1 10 . 1 1 5 5 ARG C C 5 177.324 177.324 178.649 -1.325 18429 4997 1 10 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.068 0.173 18429 4998 1 10 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.879 0.102 18429 4999 1 10 . 1 1 5 5 ARG H H 5 7.884 7.884 8.303 -0.419 18429 5000 1 10 . 1 1 6 6 LYS N N 6 119.327 119.327 118.989 0.338 18429 5001 1 10 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.046 -0.066 18429 5002 1 10 . 1 1 6 6 LYS C C 6 178.939 178.939 178.761 0.178 18429 5003 1 10 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.481 -0.149 18429 5004 1 10 . 1 1 6 6 LYS CB C 6 32.154 32.154 32.023 0.131 18429 5005 1 10 . 1 1 6 6 LYS H H 6 7.998 7.998 8.066 -0.068 18429 5006 1 10 . 1 1 7 7 LYS N N 7 117.908 117.908 119.014 -1.106 18429 5007 1 10 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.186 -0.090 18429 5008 1 10 . 1 1 7 7 LYS C C 7 179.332 179.332 178.664 0.668 18429 5009 1 10 . 1 1 7 7 LYS CA C 7 58.767 58.767 57.365 1.402 18429 5010 1 10 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.753 0.544 18429 5011 1 10 . 1 1 7 7 LYS H H 7 7.917 7.917 8.123 -0.206 18429 5012 1 10 . 1 1 8 8 LEU N N 8 120.724 120.724 121.348 -0.624 18429 5013 1 10 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.096 -0.047 18429 5014 1 10 . 1 1 8 8 LEU C C 8 178.490 178.490 178.381 0.109 18429 5015 1 10 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.010 -0.320 18429 5016 1 10 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.852 -0.247 18429 5017 1 10 . 1 1 8 8 LEU H H 8 7.686 7.686 7.869 -0.183 18429 5018 1 10 . 1 1 9 9 LEU N N 9 118.886 118.886 115.558 3.328 18429 5019 1 10 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.161 -0.223 18429 5020 1 10 . 1 1 9 9 LEU C C 9 178.981 178.981 178.577 0.404 18429 5021 1 10 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.723 0.235 18429 5022 1 10 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.835 0.007 18429 5023 1 10 . 1 1 9 9 LEU H H 9 8.158 8.158 7.447 0.711 18429 5024 1 10 . 1 1 10 10 GLU N N 10 119.000 119.000 121.397 -2.397 18429 5025 1 10 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.078 -0.026 18429 5026 1 10 . 1 1 10 10 GLU C C 10 179.601 179.601 178.528 1.073 18429 5027 1 10 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.322 -0.044 18429 5028 1 10 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.152 0.133 18429 5029 1 10 . 1 1 10 10 GLU H H 10 8.069 8.069 8.213 -0.144 18429 5030 1 10 . 1 1 11 11 LYS N N 11 119.446 119.446 118.775 0.671 18429 5031 1 10 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.011 0.072 18429 5032 1 10 . 1 1 11 11 LYS C C 11 178.971 178.971 179.076 -0.105 18429 5033 1 10 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.900 -0.128 18429 5034 1 10 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.881 0.115 18429 5035 1 10 . 1 1 11 11 LYS H H 11 7.676 7.676 7.532 0.144 18429 5036 1 10 . 1 1 12 12 LEU N N 12 120.017 120.017 119.475 0.542 18429 5037 1 10 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.948 -0.064 18429 5038 1 10 . 1 1 12 12 LEU C C 12 177.977 177.977 179.204 -1.227 18429 5039 1 10 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.714 0.011 18429 5040 1 10 . 1 1 12 12 LEU CB C 12 41.577 41.577 40.780 0.797 18429 5041 1 10 . 1 1 12 12 LEU H H 12 8.378 8.378 7.495 0.883 18429 5042 1 10 . 1 1 13 13 GLU N N 13 117.914 117.914 119.130 -1.216 18429 5043 1 10 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.808 -0.112 18429 5044 1 10 . 1 1 13 13 GLU C C 13 177.934 177.934 179.236 -1.302 18429 5045 1 10 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.975 0.141 18429 5046 1 10 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.281 0.117 18429 5047 1 10 . 1 1 13 13 GLU H H 13 8.458 8.458 8.296 0.162 18429 5048 1 10 . 1 1 14 14 LYS N N 14 117.629 117.629 118.607 -0.978 18429 5049 1 10 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.070 0.065 18429 5050 1 10 . 1 1 14 14 LYS C C 14 179.227 179.227 179.398 -0.171 18429 5051 1 10 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.265 -0.399 18429 5052 1 10 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.458 -0.331 18429 5053 1 10 . 1 1 14 14 LYS H H 14 7.365 7.365 7.554 -0.189 18429 5054 1 10 . 1 1 15 15 ILE N N 15 119.583 119.583 120.968 -1.385 18429 5055 1 10 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.625 0.152 18429 5056 1 10 . 1 1 15 15 ILE C C 15 178.009 178.009 177.858 0.151 18429 5057 1 10 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.323 -0.434 18429 5058 1 10 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.792 0.408 18429 5059 1 10 . 1 1 15 15 ILE H H 15 7.726 7.726 8.156 -0.430 18429 5060 1 10 . 1 1 16 16 LEU N N 16 118.601 118.601 120.149 -1.548 18429 5061 1 10 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.753 0.100 18429 5062 1 10 . 1 1 16 16 LEU C C 16 179.729 179.729 178.965 0.764 18429 5063 1 10 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.409 -0.567 18429 5064 1 10 . 1 1 16 16 LEU CB C 16 40.637 40.637 41.205 -0.568 18429 5065 1 10 . 1 1 16 16 LEU H H 16 8.372 8.372 7.859 0.513 18429 5066 1 10 . 1 1 17 17 ASP N N 17 120.008 120.008 117.824 2.184 18429 5067 1 10 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.440 -0.104 18429 5068 1 10 . 1 1 17 17 ASP C C 17 178.148 178.148 179.303 -1.155 18429 5069 1 10 . 1 1 17 17 ASP CA C 17 57.289 57.289 56.913 0.376 18429 5070 1 10 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.032 0.236 18429 5071 1 10 . 1 1 17 17 ASP H H 17 8.192 8.192 8.025 0.167 18429 5072 1 10 . 1 1 18 18 GLU N N 18 119.362 119.362 119.680 -0.318 18429 5073 1 10 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.188 -0.037 18429 5074 1 10 . 1 1 18 18 GLU C C 18 179.653 179.653 178.994 0.659 18429 5075 1 10 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.625 0.630 18429 5076 1 10 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.671 -0.470 18429 5077 1 10 . 1 1 18 18 GLU H H 18 7.860 7.860 7.808 0.052 18429 5078 1 10 . 1 1 19 19 VAL N N 19 118.483 118.483 118.603 -0.120 18429 5079 1 10 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.808 0.018 18429 5080 1 10 . 1 1 19 19 VAL C C 19 177.496 177.496 177.583 -0.087 18429 5081 1 10 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.956 -1.059 18429 5082 1 10 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.962 -0.153 18429 5083 1 10 . 1 1 19 19 VAL H H 19 8.416 8.416 8.256 0.160 18429 5084 1 10 . 1 1 20 20 THR N N 20 112.904 112.904 110.340 2.564 18429 5085 1 10 . 1 1 20 20 THR HA H 20 3.856 3.856 4.139 -0.283 18429 5086 1 10 . 1 1 20 20 THR C C 20 175.894 175.894 175.949 -0.055 18429 5087 1 10 . 1 1 20 20 THR CA C 20 65.696 65.696 65.034 0.662 18429 5088 1 10 . 1 1 20 20 THR CB C 20 68.587 68.587 69.147 -0.561 18429 5089 1 10 . 1 1 20 20 THR H H 20 7.985 7.985 7.878 0.107 18429 5090 1 10 . 1 1 21 21 ASP N N 21 120.510 120.510 120.920 -0.410 18429 5091 1 10 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.586 -0.143 18429 5092 1 10 . 1 1 21 21 ASP C C 21 177.358 177.358 177.403 -0.045 18429 5093 1 10 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.013 0.355 18429 5094 1 10 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.886 -0.013 18429 5095 1 10 . 1 1 21 21 ASP H H 21 7.935 7.935 7.651 0.284 18429 5096 1 10 . 1 1 22 22 GLY N N 22 106.730 106.730 107.311 -0.581 18429 5097 1 10 . 1 1 22 22 GLY C C 22 174.004 174.004 173.278 0.726 18429 5098 1 10 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.498 0.329 18429 5099 1 10 . 1 1 22 22 GLY H H 22 7.939 7.939 7.850 0.089 18429 5100 1 10 . 1 1 23 23 ALA N N 23 124.286 124.286 123.410 0.876 18429 5101 1 10 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.832 -0.324 18429 5102 1 10 . 1 1 23 23 ALA C C 23 174.921 174.921 175.369 -0.448 18429 5103 1 10 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.481 0.870 18429 5104 1 10 . 1 1 23 23 ALA CB C 23 17.504 17.504 19.287 -1.783 18429 5105 1 10 . 1 1 23 23 ALA H H 23 7.531 7.531 7.192 0.339 18429 5106 1 10 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.479 0.084 18429 5107 1 10 . 1 1 24 24 PRO C C 24 177.571 177.571 177.509 0.062 18429 5108 1 10 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.468 0.022 18429 5109 1 10 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.867 -0.769 18429 5110 1 10 . 1 1 25 25 ASP N N 25 122.828 122.828 121.145 1.683 18429 5111 1 10 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.199 0.056 18429 5112 1 10 . 1 1 25 25 ASP C C 25 178.298 178.298 177.829 0.469 18429 5113 1 10 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.597 0.466 18429 5114 1 10 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.179 0.337 18429 5115 1 10 . 1 1 25 25 ASP H H 25 8.779 8.779 8.799 -0.020 18429 5116 1 10 . 1 1 26 26 GLU N N 26 117.055 117.055 118.404 -1.349 18429 5117 1 10 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.116 0.019 18429 5118 1 10 . 1 1 26 26 GLU C C 26 177.454 177.454 178.346 -0.892 18429 5119 1 10 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.071 1.153 18429 5120 1 10 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.284 -0.730 18429 5121 1 10 . 1 1 26 26 GLU H H 26 9.324 9.324 8.500 0.824 18429 5122 1 10 . 1 1 27 27 ALA N N 27 120.789 120.789 122.466 -1.677 18429 5123 1 10 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.258 0.153 18429 5124 1 10 . 1 1 27 27 ALA C C 27 178.065 178.065 179.116 -1.051 18429 5125 1 10 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.587 -0.708 18429 5126 1 10 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.267 1.629 18429 5127 1 10 . 1 1 27 27 ALA H H 27 7.474 7.474 7.737 -0.263 18429 5128 1 10 . 1 1 28 28 ARG N N 28 118.872 118.872 119.748 -0.876 18429 5129 1 10 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.907 -0.232 18429 5130 1 10 . 1 1 28 28 ARG C C 28 177.550 177.550 177.797 -0.247 18429 5131 1 10 . 1 1 28 28 ARG CA C 28 60.602 60.602 60.267 0.335 18429 5132 1 10 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.259 -0.714 18429 5133 1 10 . 1 1 28 28 ARG H H 28 7.803 7.803 7.935 -0.132 18429 5134 1 10 . 1 1 29 29 GLU N N 29 117.512 117.512 117.405 0.107 18429 5135 1 10 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.037 0.005 18429 5136 1 10 . 1 1 29 29 GLU C C 29 179.122 179.122 178.707 0.415 18429 5137 1 10 . 1 1 29 29 GLU CA C 29 59.607 59.607 58.842 0.765 18429 5138 1 10 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.677 0.564 18429 5139 1 10 . 1 1 29 29 GLU H H 29 8.490 8.490 8.480 0.010 18429 5140 1 10 . 1 1 30 30 ARG N N 30 119.240 119.240 120.593 -1.353 18429 5141 1 10 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.120 0.014 18429 5142 1 10 . 1 1 30 30 ARG C C 30 179.248 179.248 178.593 0.655 18429 5143 1 10 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.298 0.531 18429 5144 1 10 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.647 0.218 18429 5145 1 10 . 1 1 30 30 ARG H H 30 7.789 7.789 7.875 -0.086 18429 5146 1 10 . 1 1 31 31 ILE N N 31 120.920 120.920 120.087 0.833 18429 5147 1 10 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.824 -0.086 18429 5148 1 10 . 1 1 31 31 ILE C C 31 177.089 177.089 178.231 -1.142 18429 5149 1 10 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.535 -1.717 18429 5150 1 10 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.893 -0.808 18429 5151 1 10 . 1 1 31 31 ILE H H 31 8.256 8.256 7.747 0.509 18429 5152 1 10 . 1 1 32 32 GLU N N 32 120.281 120.281 119.146 1.135 18429 5153 1 10 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.911 0.025 18429 5154 1 10 . 1 1 32 32 GLU C C 32 179.429 179.429 178.924 0.505 18429 5155 1 10 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.572 -0.013 18429 5156 1 10 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.232 0.171 18429 5157 1 10 . 1 1 32 32 GLU H H 32 8.697 8.697 8.515 0.182 18429 5158 1 10 . 1 1 33 33 LYS N N 33 119.737 119.737 120.533 -0.796 18429 5159 1 10 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.086 -0.028 18429 5160 1 10 . 1 1 33 33 LYS C C 33 178.159 178.159 178.635 -0.476 18429 5161 1 10 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.545 -0.134 18429 5162 1 10 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.529 -0.479 18429 5163 1 10 . 1 1 33 33 LYS H H 33 7.764 7.764 7.779 -0.015 18429 5164 1 10 . 1 1 34 34 LEU N N 34 120.133 120.133 120.343 -0.210 18429 5165 1 10 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.544 -0.312 18429 5166 1 10 . 1 1 34 34 LEU C C 34 178.629 178.629 178.696 -0.067 18429 5167 1 10 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.174 0.333 18429 5168 1 10 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.820 -0.023 18429 5169 1 10 . 1 1 34 34 LEU H H 34 7.790 7.790 7.653 0.137 18429 5170 1 10 . 1 1 35 35 ALA N N 35 119.492 119.492 121.805 -2.313 18429 5171 1 10 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.794 -0.026 18429 5172 1 10 . 1 1 35 35 ALA C C 35 179.297 179.297 179.188 0.109 18429 5173 1 10 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.184 -0.161 18429 5174 1 10 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.003 0.188 18429 5175 1 10 . 1 1 35 35 ALA H H 35 8.634 8.634 8.526 0.108 18429 5176 1 10 . 1 1 36 36 LYS N N 36 118.470 118.470 119.139 -0.669 18429 5177 1 10 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.908 0.023 18429 5178 1 10 . 1 1 36 36 LYS C C 36 178.223 178.223 178.531 -0.308 18429 5179 1 10 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.688 -0.493 18429 5180 1 10 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.283 -0.228 18429 5181 1 10 . 1 1 36 36 LYS H H 36 7.704 7.704 7.742 -0.038 18429 5182 1 10 . 1 1 37 37 ASP N N 37 120.075 120.075 119.339 0.736 18429 5183 1 10 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.369 0.034 18429 5184 1 10 . 1 1 37 37 ASP C C 37 179.334 179.334 178.893 0.441 18429 5185 1 10 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.214 -0.033 18429 5186 1 10 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.330 -0.353 18429 5187 1 10 . 1 1 37 37 ASP H H 37 8.203 8.203 7.906 0.297 18429 5188 1 10 . 1 1 38 38 VAL N N 38 118.202 118.202 119.479 -1.277 18429 5189 1 10 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.596 0.027 18429 5190 1 10 . 1 1 38 38 VAL C C 38 177.017 177.017 177.963 -0.946 18429 5191 1 10 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.175 -0.507 18429 5192 1 10 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.977 0.260 18429 5193 1 10 . 1 1 38 38 VAL H H 38 8.215 8.215 7.926 0.289 18429 5194 1 10 . 1 1 39 39 LYS N N 39 119.236 119.236 119.498 -0.262 18429 5195 1 10 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.957 -0.147 18429 5196 1 10 . 1 1 39 39 LYS C C 39 178.575 178.575 179.202 -0.627 18429 5197 1 10 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.697 0.016 18429 5198 1 10 . 1 1 39 39 LYS CB C 39 32.091 32.091 32.008 0.083 18429 5199 1 10 . 1 1 39 39 LYS H H 39 7.780 7.780 7.482 0.298 18429 5200 1 10 . 1 1 40 40 ASP N N 40 118.227 118.227 119.427 -1.200 18429 5201 1 10 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.438 0.014 18429 5202 1 10 . 1 1 40 40 ASP C C 40 178.137 178.137 178.303 -0.166 18429 5203 1 10 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.410 -0.987 18429 5204 1 10 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.756 -0.346 18429 5205 1 10 . 1 1 40 40 ASP H H 40 8.273 8.273 7.701 0.572 18429 5206 1 10 . 1 1 41 41 GLU N N 41 119.896 119.896 118.968 0.928 18429 5207 1 10 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.294 -0.063 18429 5208 1 10 . 1 1 41 41 GLU C C 41 177.849 177.849 178.464 -0.615 18429 5209 1 10 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.643 -0.258 18429 5210 1 10 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.415 0.316 18429 5211 1 10 . 1 1 41 41 GLU H H 41 7.875 7.875 7.778 0.097 18429 5212 1 10 . 1 1 42 42 LEU N N 42 119.906 119.906 118.410 1.496 18429 5213 1 10 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.096 0.028 18429 5214 1 10 . 1 1 42 42 LEU C C 42 178.276 178.276 178.499 -0.223 18429 5215 1 10 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.917 -0.204 18429 5216 1 10 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.790 0.358 18429 5217 1 10 . 1 1 42 42 LEU H H 42 7.952 7.952 7.965 -0.013 18429 5218 1 10 . 1 1 43 43 GLU N N 43 117.735 117.735 117.044 0.691 18429 5219 1 10 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.234 -0.099 18429 5220 1 10 . 1 1 43 43 GLU C C 43 177.582 177.582 176.949 0.633 18429 5221 1 10 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.127 0.677 18429 5222 1 10 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.752 -1.181 18429 5223 1 10 . 1 1 43 43 GLU H H 43 8.020 8.020 7.693 0.327 18429 5224 1 10 . 1 1 44 44 GLU N N 44 116.308 116.308 119.519 -3.211 18429 5225 1 10 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.509 -0.093 18429 5226 1 10 . 1 1 44 44 GLU C C 44 177.133 177.133 175.572 1.561 18429 5227 1 10 . 1 1 44 44 GLU CA C 44 56.448 56.448 55.861 0.588 18429 5228 1 10 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.353 -0.239 18429 5229 1 10 . 1 1 44 44 GLU H H 44 8.128 8.128 7.834 0.294 18429 5230 1 10 . 1 1 45 45 GLY N N 45 109.450 109.450 113.492 -4.042 18429 5231 1 10 . 1 1 45 45 GLY C C 45 173.685 173.685 173.967 -0.282 18429 5232 1 10 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.827 0.548 18429 5233 1 10 . 1 1 45 45 GLY H H 45 8.156 8.156 8.537 -0.381 18429 5234 1 10 . 1 1 46 46 ASP N N 46 120.995 120.995 121.920 -0.925 18429 5235 1 10 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.497 0.192 18429 5236 1 10 . 1 1 46 46 ASP C C 46 176.375 176.375 177.625 -1.250 18429 5237 1 10 . 1 1 46 46 ASP CA C 46 53.625 53.625 56.935 -3.310 18429 5238 1 10 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.648 -0.441 18429 5239 1 10 . 1 1 46 46 ASP H H 46 8.467 8.467 8.594 -0.127 18429 5240 1 10 . 1 1 47 47 ALA N N 47 124.626 124.626 120.594 4.032 18429 5241 1 10 . 1 1 47 47 ALA HA H 47 4.123 4.123 3.749 0.374 18429 5242 1 10 . 1 1 47 47 ALA C C 47 178.084 178.084 178.905 -0.821 18429 5243 1 10 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.483 -0.542 18429 5244 1 10 . 1 1 47 47 ALA CB C 47 18.984 18.984 17.111 1.873 18429 5245 1 10 . 1 1 47 47 ALA H H 47 8.483 8.483 8.247 0.236 18429 5246 1 10 . 1 1 48 48 LYS N N 48 118.214 118.214 121.127 -2.913 18429 5247 1 10 . 1 1 48 48 LYS HA H 48 3.801 3.801 4.085 -0.284 18429 5248 1 10 . 1 1 48 48 LYS C C 48 177.582 177.582 178.402 -0.820 18429 5249 1 10 . 1 1 48 48 LYS CA C 48 60.112 60.112 58.437 1.675 18429 5250 1 10 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.278 -0.118 18429 5251 1 10 . 1 1 48 48 LYS H H 48 8.349 8.349 8.088 0.261 18429 5252 1 10 . 1 1 49 49 ASN N N 49 116.387 116.387 118.375 -1.988 18429 5253 1 10 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.670 -0.162 18429 5254 1 10 . 1 1 49 49 ASN C C 49 177.753 177.753 177.410 0.343 18429 5255 1 10 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.944 0.037 18429 5256 1 10 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.122 0.243 18429 5257 1 10 . 1 1 49 49 ASN H H 49 8.184 8.184 7.815 0.369 18429 5258 1 10 . 1 1 50 50 MET N N 50 118.627 118.627 117.414 1.213 18429 5259 1 10 . 1 1 50 50 MET HA H 50 4.335 4.335 4.214 0.121 18429 5260 1 10 . 1 1 50 50 MET C C 50 178.683 178.683 178.723 -0.040 18429 5261 1 10 . 1 1 50 50 MET CA C 50 57.203 57.203 58.097 -0.894 18429 5262 1 10 . 1 1 50 50 MET CB C 50 32.289 32.289 31.698 0.591 18429 5263 1 10 . 1 1 50 50 MET H H 50 8.189 8.189 8.090 0.099 18429 5264 1 10 . 1 1 51 51 ILE N N 51 120.778 120.778 119.765 1.013 18429 5265 1 10 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.675 0.018 18429 5266 1 10 . 1 1 51 51 ILE C C 51 177.667 177.667 178.046 -0.379 18429 5267 1 10 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.345 0.019 18429 5268 1 10 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.484 -0.200 18429 5269 1 10 . 1 1 51 51 ILE H H 51 8.475 8.475 7.606 0.869 18429 5270 1 10 . 1 1 52 52 GLU N N 52 120.715 120.715 119.295 1.420 18429 5271 1 10 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.083 -0.244 18429 5272 1 10 . 1 1 52 52 GLU C C 52 178.201 178.201 179.051 -0.850 18429 5273 1 10 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.346 0.781 18429 5274 1 10 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.193 0.053 18429 5275 1 10 . 1 1 52 52 GLU H H 52 8.372 8.372 7.896 0.476 18429 5276 1 10 . 1 1 53 53 LYS N N 53 118.426 118.426 119.661 -1.235 18429 5277 1 10 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.142 -0.012 18429 5278 1 10 . 1 1 53 53 LYS C C 53 179.163 179.163 178.957 0.206 18429 5279 1 10 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.221 0.866 18429 5280 1 10 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.024 0.126 18429 5281 1 10 . 1 1 53 53 LYS H H 53 7.766 7.766 8.015 -0.249 18429 5282 1 10 . 1 1 54 54 PHE N N 54 120.522 120.522 120.930 -0.408 18429 5283 1 10 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.259 -0.157 18429 5284 1 10 . 1 1 54 54 PHE C C 54 176.920 176.920 177.325 -0.405 18429 5285 1 10 . 1 1 54 54 PHE CA C 54 61.537 61.537 60.892 0.645 18429 5286 1 10 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.440 -0.028 18429 5287 1 10 . 1 1 54 54 PHE H H 54 7.990 7.990 8.397 -0.407 18429 5288 1 10 . 1 1 55 55 ARG N N 55 120.870 120.870 120.875 -0.005 18429 5289 1 10 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.936 -0.110 18429 5290 1 10 . 1 1 55 55 ARG C C 55 178.383 178.383 178.132 0.251 18429 5291 1 10 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.511 0.449 18429 5292 1 10 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.636 2.479 18429 5293 1 10 . 1 1 55 55 ARG H H 55 8.774 8.774 7.884 0.890 18429 5294 1 10 . 1 1 56 56 ASP N N 56 119.776 119.776 119.175 0.601 18429 5295 1 10 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.575 -0.248 18429 5296 1 10 . 1 1 56 56 ASP C C 56 179.398 179.398 178.840 0.558 18429 5297 1 10 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.953 -0.397 18429 5298 1 10 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.522 -0.705 18429 5299 1 10 . 1 1 56 56 ASP H H 56 8.491 8.491 7.973 0.518 18429 5300 1 10 . 1 1 57 57 GLU N N 57 120.418 120.418 119.510 0.908 18429 5301 1 10 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.166 -0.113 18429 5302 1 10 . 1 1 57 57 GLU C C 57 179.708 179.708 178.409 1.299 18429 5303 1 10 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.781 0.113 18429 5304 1 10 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.402 -0.026 18429 5305 1 10 . 1 1 57 57 GLU H H 57 7.894 7.894 7.725 0.169 18429 5306 1 10 . 1 1 58 58 MET N N 58 119.674 119.674 119.796 -0.122 18429 5307 1 10 . 1 1 58 58 MET HA H 58 4.090 4.090 3.935 0.155 18429 5308 1 10 . 1 1 58 58 MET C C 58 178.137 178.137 178.123 0.014 18429 5309 1 10 . 1 1 58 58 MET CA C 58 58.568 58.568 57.711 0.857 18429 5310 1 10 . 1 1 58 58 MET CB C 58 31.846 31.846 32.044 -0.198 18429 5311 1 10 . 1 1 58 58 MET H H 58 8.352 8.352 7.761 0.591 18429 5312 1 10 . 1 1 59 59 GLU N N 59 119.770 119.770 118.490 1.280 18429 5313 1 10 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.019 -0.069 18429 5314 1 10 . 1 1 59 59 GLU C C 59 178.939 178.939 179.269 -0.330 18429 5315 1 10 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.424 0.320 18429 5316 1 10 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.214 -0.037 18429 5317 1 10 . 1 1 59 59 GLU H H 59 8.717 8.717 8.114 0.603 18429 5318 1 10 . 1 1 60 60 GLN N N 60 117.895 117.895 118.887 -0.992 18429 5319 1 10 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.030 -0.059 18429 5320 1 10 . 1 1 60 60 GLN C C 60 178.052 178.052 178.698 -0.646 18429 5321 1 10 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.969 -0.715 18429 5322 1 10 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.957 -0.839 18429 5323 1 10 . 1 1 60 60 GLN H H 60 7.613 7.613 7.575 0.038 18429 5324 1 10 . 1 1 61 61 MET N N 61 118.464 118.464 117.322 1.142 18429 5325 1 10 . 1 1 61 61 MET HA H 61 4.080 4.080 4.148 -0.068 18429 5326 1 10 . 1 1 61 61 MET C C 61 178.545 178.545 178.395 0.150 18429 5327 1 10 . 1 1 61 61 MET CA C 61 58.972 58.972 58.748 0.224 18429 5328 1 10 . 1 1 61 61 MET CB C 61 32.309 32.309 32.909 -0.600 18429 5329 1 10 . 1 1 61 61 MET H H 61 7.943 7.943 7.773 0.170 18429 5330 1 10 . 1 1 62 62 TYR N N 62 119.118 119.118 119.671 -0.553 18429 5331 1 10 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.280 -0.120 18429 5332 1 10 . 1 1 62 62 TYR C C 62 176.118 176.118 177.627 -1.509 18429 5333 1 10 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.530 -0.279 18429 5334 1 10 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.912 -0.523 18429 5335 1 10 . 1 1 62 62 TYR H H 62 8.313 8.313 8.064 0.249 18429 5336 1 10 . 1 1 63 63 LYS N N 63 117.899 117.899 119.529 -1.630 18429 5337 1 10 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.789 0.007 18429 5338 1 10 . 1 1 63 63 LYS C C 63 178.470 178.470 177.463 1.007 18429 5339 1 10 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.508 0.294 18429 5340 1 10 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.347 -0.329 18429 5341 1 10 . 1 1 63 63 LYS H H 63 7.806 7.806 7.753 0.053 18429 5342 1 10 . 1 1 64 64 ASP N N 64 116.931 116.931 117.530 -0.599 18429 5343 1 10 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.581 -0.096 18429 5344 1 10 . 1 1 64 64 ASP C C 64 176.460 176.460 175.270 1.190 18429 5345 1 10 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.270 0.370 18429 5346 1 10 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.324 -0.128 18429 5347 1 10 . 1 1 64 64 ASP H H 64 7.771 7.771 7.794 -0.023 18429 5348 1 10 . 1 1 65 65 ALA N N 65 121.417 121.417 121.106 0.311 18429 5349 1 10 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.587 0.005 18429 5350 1 10 . 1 1 65 65 ALA C C 65 180.460 180.460 174.702 5.758 18429 5351 1 10 . 1 1 65 65 ALA CA C 65 50.223 50.223 50.234 -0.011 18429 5352 1 10 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.633 -1.358 18429 5353 1 10 . 1 1 65 65 ALA H H 65 7.536 7.536 7.005 0.531 18429 5354 1 10 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.547 -0.575 18429 5355 1 10 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.261 1.798 18429 5356 1 10 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.559 -0.182 18429 5357 1 10 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.686 -0.236 18429 5358 1 10 . 1 1 67 67 ASN CA C 67 56.342 56.342 53.869 2.473 18429 5359 1 10 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.892 1.691 18429 5360 1 10 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.468 -0.181 18429 5361 1 10 . 1 1 68 68 ALA C C 68 180.039 180.039 178.405 1.634 18429 5362 1 10 . 1 1 68 68 ALA CA C 68 54.958 54.958 52.566 2.392 18429 5363 1 10 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.801 0.036 18429 5364 1 10 . 1 1 69 69 VAL N N 69 119.699 119.699 122.430 -2.731 18429 5365 1 10 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.873 -0.064 18429 5366 1 10 . 1 1 69 69 VAL C C 69 178.578 178.578 176.842 1.736 18429 5367 1 10 . 1 1 69 69 VAL CA C 69 65.910 65.910 64.995 0.915 18429 5368 1 10 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.677 -0.356 18429 5369 1 10 . 1 1 69 69 VAL H H 69 7.968 7.968 8.403 -0.435 18429 5370 1 10 . 1 1 70 70 MET N N 70 119.158 119.158 118.675 0.483 18429 5371 1 10 . 1 1 70 70 MET HA H 70 4.411 4.411 4.020 0.391 18429 5372 1 10 . 1 1 70 70 MET C C 70 177.858 177.858 177.621 0.237 18429 5373 1 10 . 1 1 70 70 MET CA C 70 56.540 56.540 58.720 -2.180 18429 5374 1 10 . 1 1 70 70 MET CB C 70 31.927 31.927 32.236 -0.309 18429 5375 1 10 . 1 1 70 70 MET H H 70 8.195 8.195 8.410 -0.215 18429 5376 1 10 . 1 1 71 71 GLU N N 71 119.109 119.109 119.354 -0.245 18429 5377 1 10 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.287 0.235 18429 5378 1 10 . 1 1 71 71 GLU C C 71 178.949 178.949 178.320 0.629 18429 5379 1 10 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.546 0.255 18429 5380 1 10 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.347 0.340 18429 5381 1 10 . 1 1 71 71 GLU H H 71 8.122 8.122 7.734 0.388 18429 5382 1 10 . 1 1 72 72 GLN N N 72 118.471 118.471 117.863 0.608 18429 5383 1 10 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.004 0.118 18429 5384 1 10 . 1 1 72 72 GLN C C 72 178.597 178.597 178.836 -0.239 18429 5385 1 10 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.558 -0.043 18429 5386 1 10 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.500 -0.389 18429 5387 1 10 . 1 1 72 72 GLN H H 72 7.662 7.662 7.783 -0.121 18429 5388 1 10 . 1 1 73 73 LEU N N 73 120.880 120.880 118.952 1.928 18429 5389 1 10 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.102 -0.058 18429 5390 1 10 . 1 1 73 73 LEU C C 73 178.992 178.992 178.698 0.294 18429 5391 1 10 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.171 0.876 18429 5392 1 10 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.616 -0.239 18429 5393 1 10 . 1 1 73 73 LEU H H 73 8.170 8.170 7.926 0.244 18429 5394 1 10 . 1 1 74 74 LEU N N 74 119.628 119.628 120.853 -1.225 18429 5395 1 10 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.863 0.089 18429 5396 1 10 . 1 1 74 74 LEU C C 74 179.088 179.088 178.774 0.314 18429 5397 1 10 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.923 -0.149 18429 5398 1 10 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.689 -0.622 18429 5399 1 10 . 1 1 74 74 LEU H H 74 8.396 8.396 7.179 1.217 18429 5400 1 10 . 1 1 75 75 GLU N N 75 119.588 119.588 117.723 1.865 18429 5401 1 10 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.976 0.069 18429 5402 1 10 . 1 1 75 75 GLU C C 75 179.772 179.772 178.870 0.902 18429 5403 1 10 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.422 -0.161 18429 5404 1 10 . 1 1 75 75 GLU CB C 75 28.867 28.867 28.896 -0.029 18429 5405 1 10 . 1 1 75 75 GLU H H 75 7.622 7.622 7.815 -0.193 18429 5406 1 10 . 1 1 76 76 GLU N N 76 118.750 118.750 120.285 -1.535 18429 5407 1 10 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.115 -0.026 18429 5408 1 10 . 1 1 76 76 GLU C C 76 180.103 180.103 178.885 1.218 18429 5409 1 10 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.924 0.185 18429 5410 1 10 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.096 0.269 18429 5411 1 10 . 1 1 76 76 GLU H H 76 8.127 8.127 7.648 0.479 18429 5412 1 10 . 1 1 77 77 ILE N N 77 121.044 121.044 119.700 1.344 18429 5413 1 10 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.692 0.132 18429 5414 1 10 . 1 1 77 77 ILE C C 77 177.219 177.219 177.749 -0.530 18429 5415 1 10 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.124 -0.578 18429 5416 1 10 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.768 -0.621 18429 5417 1 10 . 1 1 77 77 ILE H H 77 8.715 8.715 7.577 1.138 18429 5418 1 10 . 1 1 78 78 GLU N N 78 121.847 121.847 120.484 1.363 18429 5419 1 10 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.938 0.104 18429 5420 1 10 . 1 1 78 78 GLU C C 78 179.644 179.644 178.867 0.777 18429 5421 1 10 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.899 -0.413 18429 5422 1 10 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.325 -0.339 18429 5423 1 10 . 1 1 78 78 GLU H H 78 8.161 8.161 7.764 0.397 18429 5424 1 10 . 1 1 79 79 LYS N N 79 118.842 118.842 118.698 0.144 18429 5425 1 10 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.109 -0.147 18429 5426 1 10 . 1 1 79 79 LYS C C 79 179.729 179.729 179.380 0.349 18429 5427 1 10 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.069 0.672 18429 5428 1 10 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.329 0.101 18429 5429 1 10 . 1 1 79 79 LYS H H 79 7.756 7.756 7.542 0.214 18429 5430 1 10 . 1 1 80 80 LEU N N 80 120.440 120.440 120.404 0.036 18429 5431 1 10 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.170 -0.117 18429 5432 1 10 . 1 1 80 80 LEU C C 80 178.939 178.939 178.952 -0.013 18429 5433 1 10 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.186 0.769 18429 5434 1 10 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.022 0.654 18429 5435 1 10 . 1 1 80 80 LEU H H 80 7.805 7.805 7.685 0.120 18429 5436 1 10 . 1 1 81 81 LEU N N 81 119.519 119.519 119.974 -0.455 18429 5437 1 10 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.898 0.057 18429 5438 1 10 . 1 1 81 81 LEU C C 81 179.366 179.366 179.031 0.335 18429 5439 1 10 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.397 -0.621 18429 5440 1 10 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.108 0.509 18429 5441 1 10 . 1 1 81 81 LEU H H 81 8.423 8.423 8.238 0.185 18429 5442 1 10 . 1 1 82 82 LYS N N 82 119.070 119.070 119.371 -0.301 18429 5443 1 10 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.119 0.012 18429 5444 1 10 . 1 1 82 82 LYS C C 82 179.237 179.237 178.314 0.923 18429 5445 1 10 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.510 0.362 18429 5446 1 10 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.175 0.037 18429 5447 1 10 . 1 1 82 82 LYS H H 82 7.804 7.804 7.555 0.249 18429 5448 1 10 . 1 1 83 83 LYS N N 83 119.647 119.647 118.620 1.027 18429 5449 1 10 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.131 0.110 18429 5450 1 10 . 1 1 83 83 LYS C C 83 178.234 178.234 178.395 -0.161 18429 5451 1 10 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.597 -1.269 18429 5452 1 10 . 1 1 83 83 LYS CB C 83 32.189 32.189 33.011 -0.822 18429 5453 1 10 . 1 1 83 83 LYS H H 83 7.737 7.737 7.804 -0.067 18429 5454 1 10 . 1 1 84 84 ALA N N 84 122.121 122.121 122.487 -0.366 18429 5455 1 10 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.380 -0.310 18429 5456 1 10 . 1 1 84 84 ALA C C 84 179.003 179.003 177.142 1.861 18429 5457 1 10 . 1 1 84 84 ALA CA C 84 53.922 53.922 51.080 2.842 18429 5458 1 10 . 1 1 84 84 ALA CB C 84 18.175 18.175 17.363 0.812 18429 5459 1 10 . 1 1 84 84 ALA H H 84 8.259 8.259 7.675 0.584 18429 5460 1 10 . 1 1 85 85 GLY N N 85 105.518 105.518 108.141 -2.623 18429 5461 1 10 . 1 1 85 85 GLY C C 85 174.759 174.759 172.609 2.150 18429 5462 1 10 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.826 0.911 18429 5463 1 10 . 1 1 85 85 GLY H H 85 8.191 8.191 7.996 0.195 18429 5464 1 10 . 1 1 86 86 SER N N 86 114.680 114.680 113.062 1.618 18429 5465 1 10 . 1 1 86 86 SER HA H 86 4.512 4.512 4.724 -0.212 18429 5466 1 10 . 1 1 86 86 SER C C 86 174.452 174.452 174.674 -0.222 18429 5467 1 10 . 1 1 86 86 SER CA C 86 58.641 58.641 57.330 1.311 18429 5468 1 10 . 1 1 86 86 SER CB C 86 63.751 63.751 65.474 -1.723 18429 5469 1 10 . 1 1 86 86 SER H H 86 7.884 7.884 8.086 -0.202 18429 5470 1 10 . 1 1 87 87 LEU N N 87 122.300 122.300 123.667 -1.367 18429 5471 1 10 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.473 -0.141 18429 5472 1 10 . 1 1 87 87 LEU C C 87 176.845 176.845 177.189 -0.344 18429 5473 1 10 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.604 -0.612 18429 5474 1 10 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.707 0.217 18429 5475 1 10 . 1 1 87 87 LEU H H 87 7.806 7.806 8.536 -0.730 18429 5476 1 10 . 1 1 88 88 VAL N N 88 120.869 120.869 119.069 1.800 18429 5477 1 10 . 1 1 88 88 VAL HA H 88 4.387 4.387 3.902 0.485 18429 5478 1 10 . 1 1 88 88 VAL C C 88 174.367 174.367 174.612 -0.245 18429 5479 1 10 . 1 1 88 88 VAL CA C 88 59.756 59.756 62.277 -2.521 18429 5480 1 10 . 1 1 88 88 VAL CB C 88 32.378 32.378 30.551 1.827 18429 5481 1 10 . 1 1 88 88 VAL H H 88 7.849 7.849 7.962 -0.113 18429 5482 1 10 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.657 -0.245 18429 5483 1 10 . 1 1 89 89 PRO C C 89 176.898 176.898 176.582 0.316 18429 5484 1 10 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.025 0.904 18429 5485 1 10 . 1 1 89 89 PRO CB C 89 31.926 31.926 33.018 -1.092 18429 5486 1 10 . 1 1 90 90 ARG N N 90 121.893 121.893 119.684 2.209 18429 5487 1 10 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.341 -0.050 18429 5488 1 10 . 1 1 90 90 ARG C C 90 177.081 177.081 176.277 0.804 18429 5489 1 10 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.057 0.268 18429 5490 1 10 . 1 1 90 90 ARG CB C 90 30.554 30.554 28.590 1.964 18429 5491 1 10 . 1 1 90 90 ARG H H 90 8.528 8.528 8.546 -0.018 18429 5492 1 10 . 1 1 91 91 GLY N N 91 109.932 109.932 110.685 -0.753 18429 5493 1 10 . 1 1 91 91 GLY C C 91 174.324 174.324 173.851 0.473 18429 5494 1 10 . 1 1 91 91 GLY CA C 91 45.293 45.293 45.226 0.067 18429 5495 1 10 . 1 1 91 91 GLY H H 91 8.551 8.551 7.941 0.610 18429 5496 1 10 . 1 1 92 92 SER N N 92 115.612 115.612 114.522 1.090 18429 5497 1 10 . 1 1 92 92 SER HA H 92 4.407 4.407 4.051 0.356 18429 5498 1 10 . 1 1 92 92 SER C C 92 174.463 174.463 173.303 1.160 18429 5499 1 10 . 1 1 92 92 SER CA C 92 58.310 58.310 58.459 -0.149 18429 5500 1 10 . 1 1 92 92 SER CB C 92 63.616 63.616 62.998 0.618 18429 5501 1 10 . 1 1 92 92 SER H H 92 8.183 8.183 8.521 -0.338 18429 5502 1 10 . 1 1 93 93 TYR N N 93 122.140 122.140 119.798 2.342 18429 5503 1 10 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.492 0.014 18429 5504 1 10 . 1 1 93 93 TYR C C 93 175.659 175.659 175.275 0.384 18429 5505 1 10 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.142 0.963 18429 5506 1 10 . 1 1 93 93 TYR CB C 93 38.291 38.291 37.604 0.687 18429 5507 1 10 . 1 1 93 93 TYR H H 93 8.206 8.206 7.758 0.448 18429 5508 1 10 . 1 1 94 94 LEU N N 94 123.025 123.025 123.098 -0.073 18429 5509 1 10 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.175 0.024 18429 5510 1 10 . 1 1 94 94 LEU C C 94 177.037 177.037 176.936 0.101 18429 5511 1 10 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.937 0.008 18429 5512 1 10 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.429 -0.263 18429 5513 1 10 . 1 1 94 94 LEU H H 94 8.007 8.007 8.135 -0.128 18429 5514 1 10 . 1 1 95 95 GLU N N 95 120.848 120.848 119.599 1.249 18429 5515 1 10 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.026 0.090 18429 5516 1 10 . 1 1 95 95 GLU C C 95 176.268 176.268 175.871 0.397 18429 5517 1 10 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.433 0.280 18429 5518 1 10 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.769 0.277 18429 5519 1 10 . 1 1 95 95 GLU H H 95 8.141 8.141 7.976 0.165 18429 5520 1 10 . 1 1 96 96 HIS N N 96 119.288 119.288 122.537 -3.249 18429 5521 1 10 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.824 -0.254 18429 5522 1 10 . 1 1 96 96 HIS C C 96 174.100 174.100 175.525 -1.425 18429 5523 1 10 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.658 0.181 18429 5524 1 10 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.961 -0.557 18429 5525 1 10 . 1 1 96 96 HIS H H 96 8.144 8.144 8.164 -0.020 18429 5526 1 10 . 1 1 97 97 HIS N N 97 125.622 125.622 121.087 4.535 18429 5527 1 10 . 1 1 97 97 HIS C C 97 179.480 179.480 174.982 4.498 18429 5528 1 10 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.721 1.726 18429 5529 1 10 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.977 0.777 18429 5530 1 10 . 1 1 97 97 HIS H H 97 8.017 8.017 8.475 -0.458 18429 5531 1 11 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.258 0.058 18429 5532 1 11 . 1 1 2 2 GLN C C 2 177.028 177.028 176.922 0.106 18429 5533 1 11 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.463 0.337 18429 5534 1 11 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.206 -0.322 18429 5535 1 11 . 1 1 3 3 GLU N N 3 123.654 123.654 121.380 2.274 18429 5536 1 11 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.224 -0.147 18429 5537 1 11 . 1 1 3 3 GLU C C 3 177.945 177.945 175.629 2.316 18429 5538 1 11 . 1 1 3 3 GLU CA C 3 59.110 59.110 55.953 3.157 18429 5539 1 11 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.298 1.045 18429 5540 1 11 . 1 1 3 3 GLU H H 3 8.995 8.995 8.309 0.686 18429 5541 1 11 . 1 1 4 4 GLU N N 4 119.237 119.237 118.072 1.165 18429 5542 1 11 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.845 0.224 18429 5543 1 11 . 1 1 4 4 GLU C C 4 178.815 178.815 177.050 1.765 18429 5544 1 11 . 1 1 4 4 GLU CA C 4 59.152 59.152 58.236 0.916 18429 5545 1 11 . 1 1 4 4 GLU CB C 4 29.218 29.218 28.189 1.028 18429 5546 1 11 . 1 1 4 4 GLU H H 4 8.837 8.837 8.351 0.486 18429 5547 1 11 . 1 1 5 5 ARG N N 5 120.052 120.052 117.419 2.633 18429 5548 1 11 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.022 -0.071 18429 5549 1 11 . 1 1 5 5 ARG C C 5 177.324 177.324 178.304 -0.980 18429 5550 1 11 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.887 0.354 18429 5551 1 11 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.117 -0.136 18429 5552 1 11 . 1 1 5 5 ARG H H 5 7.884 7.884 8.326 -0.442 18429 5553 1 11 . 1 1 6 6 LYS N N 6 119.327 119.327 120.070 -0.743 18429 5554 1 11 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.070 -0.090 18429 5555 1 11 . 1 1 6 6 LYS C C 6 178.939 178.939 178.158 0.781 18429 5556 1 11 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.714 0.618 18429 5557 1 11 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.675 0.479 18429 5558 1 11 . 1 1 6 6 LYS H H 6 7.998 7.998 8.156 -0.158 18429 5559 1 11 . 1 1 7 7 LYS N N 7 117.908 117.908 119.498 -1.590 18429 5560 1 11 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.084 0.012 18429 5561 1 11 . 1 1 7 7 LYS C C 7 179.332 179.332 179.145 0.187 18429 5562 1 11 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.531 0.236 18429 5563 1 11 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.567 0.730 18429 5564 1 11 . 1 1 7 7 LYS H H 7 7.917 7.917 7.863 0.054 18429 5565 1 11 . 1 1 8 8 LEU N N 8 120.724 120.724 120.677 0.047 18429 5566 1 11 . 1 1 8 8 LEU HA H 8 4.049 4.049 3.989 0.060 18429 5567 1 11 . 1 1 8 8 LEU C C 8 178.490 178.490 178.214 0.276 18429 5568 1 11 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.298 -0.609 18429 5569 1 11 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.996 -0.391 18429 5570 1 11 . 1 1 8 8 LEU H H 8 7.686 7.686 7.998 -0.312 18429 5571 1 11 . 1 1 9 9 LEU N N 9 118.886 118.886 116.000 2.886 18429 5572 1 11 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.980 -0.042 18429 5573 1 11 . 1 1 9 9 LEU C C 9 178.981 178.981 179.213 -0.232 18429 5574 1 11 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.190 0.768 18429 5575 1 11 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.276 -0.434 18429 5576 1 11 . 1 1 9 9 LEU H H 9 8.158 8.158 7.143 1.015 18429 5577 1 11 . 1 1 10 10 GLU N N 10 119.000 119.000 118.444 0.556 18429 5578 1 11 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.971 0.081 18429 5579 1 11 . 1 1 10 10 GLU C C 10 179.601 179.601 178.577 1.024 18429 5580 1 11 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.318 -0.040 18429 5581 1 11 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.189 0.097 18429 5582 1 11 . 1 1 10 10 GLU H H 10 8.069 8.069 7.833 0.236 18429 5583 1 11 . 1 1 11 11 LYS N N 11 119.446 119.446 116.481 2.965 18429 5584 1 11 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.194 -0.111 18429 5585 1 11 . 1 1 11 11 LYS C C 11 178.971 178.971 178.650 0.321 18429 5586 1 11 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.445 0.327 18429 5587 1 11 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.299 -0.303 18429 5588 1 11 . 1 1 11 11 LYS H H 11 7.676 7.676 7.534 0.142 18429 5589 1 11 . 1 1 12 12 LEU N N 12 120.017 120.017 122.127 -2.110 18429 5590 1 11 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.941 -0.057 18429 5591 1 11 . 1 1 12 12 LEU C C 12 177.977 177.977 178.559 -0.582 18429 5592 1 11 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.848 -0.123 18429 5593 1 11 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.860 -0.283 18429 5594 1 11 . 1 1 12 12 LEU H H 12 8.378 8.378 7.361 1.017 18429 5595 1 11 . 1 1 13 13 GLU N N 13 117.914 117.914 118.682 -0.768 18429 5596 1 11 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.826 -0.130 18429 5597 1 11 . 1 1 13 13 GLU C C 13 177.934 177.934 178.781 -0.847 18429 5598 1 11 . 1 1 13 13 GLU CA C 13 60.116 60.116 60.020 0.096 18429 5599 1 11 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.779 0.619 18429 5600 1 11 . 1 1 13 13 GLU H H 13 8.458 8.458 8.000 0.458 18429 5601 1 11 . 1 1 14 14 LYS N N 14 117.629 117.629 118.906 -1.277 18429 5602 1 11 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.055 0.080 18429 5603 1 11 . 1 1 14 14 LYS C C 14 179.227 179.227 179.077 0.150 18429 5604 1 11 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.082 -0.216 18429 5605 1 11 . 1 1 14 14 LYS CB C 14 32.127 32.127 31.774 0.353 18429 5606 1 11 . 1 1 14 14 LYS H H 14 7.365 7.365 7.556 -0.191 18429 5607 1 11 . 1 1 15 15 ILE N N 15 119.583 119.583 120.557 -0.974 18429 5608 1 11 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.704 0.073 18429 5609 1 11 . 1 1 15 15 ILE C C 15 178.009 178.009 178.150 -0.141 18429 5610 1 11 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.046 -0.157 18429 5611 1 11 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.786 0.414 18429 5612 1 11 . 1 1 15 15 ILE H H 15 7.726 7.726 7.479 0.247 18429 5613 1 11 . 1 1 16 16 LEU N N 16 118.601 118.601 119.417 -0.816 18429 5614 1 11 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.909 -0.056 18429 5615 1 11 . 1 1 16 16 LEU C C 16 179.729 179.729 179.076 0.653 18429 5616 1 11 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.400 -0.558 18429 5617 1 11 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.819 -0.182 18429 5618 1 11 . 1 1 16 16 LEU H H 16 8.372 8.372 7.553 0.819 18429 5619 1 11 . 1 1 17 17 ASP N N 17 120.008 120.008 119.138 0.870 18429 5620 1 11 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.469 -0.133 18429 5621 1 11 . 1 1 17 17 ASP C C 17 178.148 178.148 179.122 -0.974 18429 5622 1 11 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.266 0.024 18429 5623 1 11 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.508 -0.240 18429 5624 1 11 . 1 1 17 17 ASP H H 17 8.192 8.192 8.065 0.127 18429 5625 1 11 . 1 1 18 18 GLU N N 18 119.362 119.362 119.756 -0.394 18429 5626 1 11 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.174 -0.023 18429 5627 1 11 . 1 1 18 18 GLU C C 18 179.653 179.653 179.029 0.624 18429 5628 1 11 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.829 0.426 18429 5629 1 11 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.643 -0.443 18429 5630 1 11 . 1 1 18 18 GLU H H 18 7.860 7.860 7.887 -0.027 18429 5631 1 11 . 1 1 19 19 VAL N N 19 118.483 118.483 119.220 -0.737 18429 5632 1 11 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.835 -0.009 18429 5633 1 11 . 1 1 19 19 VAL C C 19 177.496 177.496 177.390 0.106 18429 5634 1 11 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.553 -1.656 18429 5635 1 11 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.814 -0.005 18429 5636 1 11 . 1 1 19 19 VAL H H 19 8.416 8.416 8.046 0.370 18429 5637 1 11 . 1 1 20 20 THR N N 20 112.904 112.904 111.971 0.933 18429 5638 1 11 . 1 1 20 20 THR HA H 20 3.856 3.856 4.079 -0.223 18429 5639 1 11 . 1 1 20 20 THR C C 20 175.894 175.894 176.866 -0.972 18429 5640 1 11 . 1 1 20 20 THR CA C 20 65.696 65.696 65.797 -0.101 18429 5641 1 11 . 1 1 20 20 THR CB C 20 68.587 68.587 68.690 -0.103 18429 5642 1 11 . 1 1 20 20 THR H H 20 7.985 7.985 7.688 0.297 18429 5643 1 11 . 1 1 21 21 ASP N N 21 120.510 120.510 122.327 -1.817 18429 5644 1 11 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.557 -0.114 18429 5645 1 11 . 1 1 21 21 ASP C C 21 177.358 177.358 177.814 -0.456 18429 5646 1 11 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.346 0.022 18429 5647 1 11 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.836 0.037 18429 5648 1 11 . 1 1 21 21 ASP H H 21 7.935 7.935 7.818 0.117 18429 5649 1 11 . 1 1 22 22 GLY N N 22 106.730 106.730 106.762 -0.032 18429 5650 1 11 . 1 1 22 22 GLY C C 22 174.004 174.004 173.935 0.069 18429 5651 1 11 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.407 0.419 18429 5652 1 11 . 1 1 22 22 GLY H H 22 7.939 7.939 7.793 0.146 18429 5653 1 11 . 1 1 23 23 ALA N N 23 124.286 124.286 123.351 0.935 18429 5654 1 11 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.545 -0.037 18429 5655 1 11 . 1 1 23 23 ALA C C 23 174.921 174.921 176.819 -1.898 18429 5656 1 11 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.926 0.425 18429 5657 1 11 . 1 1 23 23 ALA CB C 23 17.504 17.504 19.044 -1.540 18429 5658 1 11 . 1 1 23 23 ALA H H 23 7.531 7.531 7.083 0.448 18429 5659 1 11 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.311 0.252 18429 5660 1 11 . 1 1 24 24 PRO C C 24 177.571 177.571 176.201 1.370 18429 5661 1 11 . 1 1 24 24 PRO CA C 24 62.490 62.490 64.612 -2.123 18429 5662 1 11 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.315 -0.217 18429 5663 1 11 . 1 1 25 25 ASP N N 25 122.828 122.828 115.980 6.848 18429 5664 1 11 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.617 -0.362 18429 5665 1 11 . 1 1 25 25 ASP C C 25 178.298 178.298 177.434 0.864 18429 5666 1 11 . 1 1 25 25 ASP CA C 25 58.063 58.063 54.604 3.459 18429 5667 1 11 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.376 0.141 18429 5668 1 11 . 1 1 25 25 ASP H H 25 8.779 8.779 7.845 0.934 18429 5669 1 11 . 1 1 26 26 GLU N N 26 117.055 117.055 121.096 -4.041 18429 5670 1 11 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.308 -0.173 18429 5671 1 11 . 1 1 26 26 GLU C C 26 177.454 177.454 178.111 -0.657 18429 5672 1 11 . 1 1 26 26 GLU CA C 26 59.224 59.224 57.795 1.429 18429 5673 1 11 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.466 -0.912 18429 5674 1 11 . 1 1 26 26 GLU H H 26 9.324 9.324 8.669 0.655 18429 5675 1 11 . 1 1 27 27 ALA N N 27 120.789 120.789 123.678 -2.889 18429 5676 1 11 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.152 0.259 18429 5677 1 11 . 1 1 27 27 ALA C C 27 178.065 178.065 178.757 -0.692 18429 5678 1 11 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.059 -1.180 18429 5679 1 11 . 1 1 27 27 ALA CB C 27 19.896 19.896 17.902 1.994 18429 5680 1 11 . 1 1 27 27 ALA H H 27 7.474 7.474 8.394 -0.920 18429 5681 1 11 . 1 1 28 28 ARG N N 28 118.872 118.872 118.636 0.236 18429 5682 1 11 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.960 -0.285 18429 5683 1 11 . 1 1 28 28 ARG C C 28 177.550 177.550 178.046 -0.496 18429 5684 1 11 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.724 0.878 18429 5685 1 11 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.064 -0.520 18429 5686 1 11 . 1 1 28 28 ARG H H 28 7.803 7.803 7.695 0.108 18429 5687 1 11 . 1 1 29 29 GLU N N 29 117.512 117.512 118.004 -0.492 18429 5688 1 11 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.244 -0.202 18429 5689 1 11 . 1 1 29 29 GLU C C 29 179.122 179.122 179.094 0.028 18429 5690 1 11 . 1 1 29 29 GLU CA C 29 59.607 59.607 58.853 0.753 18429 5691 1 11 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.990 0.251 18429 5692 1 11 . 1 1 29 29 GLU H H 29 8.490 8.490 7.714 0.776 18429 5693 1 11 . 1 1 30 30 ARG N N 30 119.240 119.240 120.173 -0.933 18429 5694 1 11 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.050 0.084 18429 5695 1 11 . 1 1 30 30 ARG C C 30 179.248 179.248 178.782 0.466 18429 5696 1 11 . 1 1 30 30 ARG CA C 30 58.829 58.829 59.334 -0.505 18429 5697 1 11 . 1 1 30 30 ARG CB C 30 29.865 29.865 30.022 -0.157 18429 5698 1 11 . 1 1 30 30 ARG H H 30 7.789 7.789 7.490 0.299 18429 5699 1 11 . 1 1 31 31 ILE N N 31 120.920 120.920 120.026 0.894 18429 5700 1 11 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.815 -0.077 18429 5701 1 11 . 1 1 31 31 ILE C C 31 177.089 177.089 177.997 -0.908 18429 5702 1 11 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.566 -1.748 18429 5703 1 11 . 1 1 31 31 ILE CB C 31 37.085 37.085 38.081 -0.996 18429 5704 1 11 . 1 1 31 31 ILE H H 31 8.256 8.256 8.144 0.112 18429 5705 1 11 . 1 1 32 32 GLU N N 32 120.281 120.281 119.033 1.248 18429 5706 1 11 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.974 -0.038 18429 5707 1 11 . 1 1 32 32 GLU C C 32 179.429 179.429 178.901 0.528 18429 5708 1 11 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.308 0.251 18429 5709 1 11 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.197 0.206 18429 5710 1 11 . 1 1 32 32 GLU H H 32 8.697 8.697 8.454 0.243 18429 5711 1 11 . 1 1 33 33 LYS N N 33 119.737 119.737 120.625 -0.888 18429 5712 1 11 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.120 -0.062 18429 5713 1 11 . 1 1 33 33 LYS C C 33 178.159 178.159 178.775 -0.616 18429 5714 1 11 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.283 0.128 18429 5715 1 11 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.665 -0.615 18429 5716 1 11 . 1 1 33 33 LYS H H 33 7.764 7.764 7.714 0.050 18429 5717 1 11 . 1 1 34 34 LEU N N 34 120.133 120.133 120.807 -0.674 18429 5718 1 11 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.462 -0.230 18429 5719 1 11 . 1 1 34 34 LEU C C 34 178.629 178.629 178.805 -0.176 18429 5720 1 11 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.458 0.049 18429 5721 1 11 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.925 -0.128 18429 5722 1 11 . 1 1 34 34 LEU H H 34 7.790 7.790 7.819 -0.029 18429 5723 1 11 . 1 1 35 35 ALA N N 35 119.492 119.492 120.754 -1.262 18429 5724 1 11 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.777 -0.009 18429 5725 1 11 . 1 1 35 35 ALA C C 35 179.297 179.297 179.373 -0.076 18429 5726 1 11 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.382 -0.359 18429 5727 1 11 . 1 1 35 35 ALA CB C 35 18.191 18.191 17.866 0.325 18429 5728 1 11 . 1 1 35 35 ALA H H 35 8.634 8.634 8.615 0.019 18429 5729 1 11 . 1 1 36 36 LYS N N 36 118.470 118.470 118.679 -0.209 18429 5730 1 11 . 1 1 36 36 LYS HA H 36 3.931 3.931 4.003 -0.072 18429 5731 1 11 . 1 1 36 36 LYS C C 36 178.223 178.223 178.318 -0.095 18429 5732 1 11 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.028 0.167 18429 5733 1 11 . 1 1 36 36 LYS CB C 36 32.055 32.055 31.886 0.169 18429 5734 1 11 . 1 1 36 36 LYS H H 36 7.704 7.704 7.592 0.112 18429 5735 1 11 . 1 1 37 37 ASP N N 37 120.075 120.075 119.572 0.503 18429 5736 1 11 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.626 -0.223 18429 5737 1 11 . 1 1 37 37 ASP C C 37 179.334 179.334 178.962 0.372 18429 5738 1 11 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.333 -0.152 18429 5739 1 11 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.526 -0.549 18429 5740 1 11 . 1 1 37 37 ASP H H 37 8.203 8.203 7.771 0.432 18429 5741 1 11 . 1 1 38 38 VAL N N 38 118.202 118.202 119.869 -1.667 18429 5742 1 11 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.631 -0.008 18429 5743 1 11 . 1 1 38 38 VAL C C 38 177.017 177.017 177.788 -0.771 18429 5744 1 11 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.012 -0.344 18429 5745 1 11 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.965 0.272 18429 5746 1 11 . 1 1 38 38 VAL H H 38 8.215 8.215 8.336 -0.121 18429 5747 1 11 . 1 1 39 39 LYS N N 39 119.236 119.236 119.521 -0.285 18429 5748 1 11 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.954 -0.144 18429 5749 1 11 . 1 1 39 39 LYS C C 39 178.575 178.575 178.968 -0.393 18429 5750 1 11 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.742 -0.029 18429 5751 1 11 . 1 1 39 39 LYS CB C 39 32.091 32.091 32.067 0.024 18429 5752 1 11 . 1 1 39 39 LYS H H 39 7.780 7.780 7.840 -0.060 18429 5753 1 11 . 1 1 40 40 ASP N N 40 118.227 118.227 120.158 -1.931 18429 5754 1 11 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.384 0.068 18429 5755 1 11 . 1 1 40 40 ASP C C 40 178.137 178.137 178.210 -0.073 18429 5756 1 11 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.226 -0.803 18429 5757 1 11 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.282 0.128 18429 5758 1 11 . 1 1 40 40 ASP H H 40 8.273 8.273 8.190 0.083 18429 5759 1 11 . 1 1 41 41 GLU N N 41 119.896 119.896 118.819 1.077 18429 5760 1 11 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.202 0.029 18429 5761 1 11 . 1 1 41 41 GLU C C 41 177.849 177.849 178.574 -0.725 18429 5762 1 11 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.006 -0.621 18429 5763 1 11 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.425 0.306 18429 5764 1 11 . 1 1 41 41 GLU H H 41 7.875 7.875 7.743 0.132 18429 5765 1 11 . 1 1 42 42 LEU N N 42 119.906 119.906 117.936 1.970 18429 5766 1 11 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.073 0.051 18429 5767 1 11 . 1 1 42 42 LEU C C 42 178.276 178.276 177.671 0.605 18429 5768 1 11 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.769 -0.056 18429 5769 1 11 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.927 0.221 18429 5770 1 11 . 1 1 42 42 LEU H H 42 7.952 7.952 7.903 0.049 18429 5771 1 11 . 1 1 43 43 GLU N N 43 117.735 117.735 118.312 -0.577 18429 5772 1 11 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.290 -0.155 18429 5773 1 11 . 1 1 43 43 GLU C C 43 177.582 177.582 177.658 -0.076 18429 5774 1 11 . 1 1 43 43 GLU CA C 43 58.804 58.804 57.545 1.259 18429 5775 1 11 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.486 -0.915 18429 5776 1 11 . 1 1 43 43 GLU H H 43 8.020 8.020 7.694 0.326 18429 5777 1 11 . 1 1 44 44 GLU N N 44 116.308 116.308 118.391 -2.083 18429 5778 1 11 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.292 0.124 18429 5779 1 11 . 1 1 44 44 GLU C C 44 177.133 177.133 177.386 -0.253 18429 5780 1 11 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.999 -0.551 18429 5781 1 11 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.237 0.877 18429 5782 1 11 . 1 1 44 44 GLU H H 44 8.128 8.128 8.101 0.027 18429 5783 1 11 . 1 1 45 45 GLY N N 45 109.450 109.450 108.287 1.163 18429 5784 1 11 . 1 1 45 45 GLY C C 45 173.685 173.685 173.844 -0.159 18429 5785 1 11 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.013 1.361 18429 5786 1 11 . 1 1 45 45 GLY H H 45 8.156 8.156 7.481 0.675 18429 5787 1 11 . 1 1 46 46 ASP N N 46 120.995 120.995 120.239 0.756 18429 5788 1 11 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.488 0.200 18429 5789 1 11 . 1 1 46 46 ASP C C 46 176.375 176.375 177.465 -1.090 18429 5790 1 11 . 1 1 46 46 ASP CA C 46 53.625 53.625 56.435 -2.810 18429 5791 1 11 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.388 -0.181 18429 5792 1 11 . 1 1 46 46 ASP H H 46 8.467 8.467 8.689 -0.222 18429 5793 1 11 . 1 1 47 47 ALA N N 47 124.626 124.626 119.922 4.704 18429 5794 1 11 . 1 1 47 47 ALA HA H 47 4.123 4.123 3.800 0.323 18429 5795 1 11 . 1 1 47 47 ALA C C 47 178.084 178.084 178.037 0.047 18429 5796 1 11 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.080 -0.139 18429 5797 1 11 . 1 1 47 47 ALA CB C 47 18.984 18.984 17.007 1.977 18429 5798 1 11 . 1 1 47 47 ALA H H 47 8.483 8.483 8.436 0.047 18429 5799 1 11 . 1 1 48 48 LYS N N 48 118.214 118.214 119.383 -1.169 18429 5800 1 11 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.980 -0.179 18429 5801 1 11 . 1 1 48 48 LYS C C 48 177.582 177.582 178.006 -0.424 18429 5802 1 11 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.123 0.989 18429 5803 1 11 . 1 1 48 48 LYS CB C 48 32.160 32.160 31.901 0.259 18429 5804 1 11 . 1 1 48 48 LYS H H 48 8.349 8.349 8.032 0.317 18429 5805 1 11 . 1 1 49 49 ASN N N 49 116.387 116.387 116.194 0.193 18429 5806 1 11 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.785 -0.277 18429 5807 1 11 . 1 1 49 49 ASN C C 49 177.753 177.753 177.669 0.084 18429 5808 1 11 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.923 0.058 18429 5809 1 11 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.143 0.222 18429 5810 1 11 . 1 1 49 49 ASN H H 49 8.184 8.184 8.578 -0.394 18429 5811 1 11 . 1 1 50 50 MET N N 50 118.627 118.627 119.054 -0.427 18429 5812 1 11 . 1 1 50 50 MET HA H 50 4.335 4.335 4.254 0.081 18429 5813 1 11 . 1 1 50 50 MET C C 50 178.683 178.683 178.938 -0.255 18429 5814 1 11 . 1 1 50 50 MET CA C 50 57.203 57.203 58.089 -0.886 18429 5815 1 11 . 1 1 50 50 MET CB C 50 32.289 32.289 31.974 0.315 18429 5816 1 11 . 1 1 50 50 MET H H 50 8.189 8.189 7.484 0.705 18429 5817 1 11 . 1 1 51 51 ILE N N 51 120.778 120.778 119.843 0.935 18429 5818 1 11 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.731 -0.038 18429 5819 1 11 . 1 1 51 51 ILE C C 51 177.667 177.667 178.011 -0.344 18429 5820 1 11 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.375 -0.011 18429 5821 1 11 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.336 -0.052 18429 5822 1 11 . 1 1 51 51 ILE H H 51 8.475 8.475 8.014 0.461 18429 5823 1 11 . 1 1 52 52 GLU N N 52 120.715 120.715 120.363 0.352 18429 5824 1 11 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.046 -0.207 18429 5825 1 11 . 1 1 52 52 GLU C C 52 178.201 178.201 179.308 -1.107 18429 5826 1 11 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.676 0.451 18429 5827 1 11 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.320 -0.074 18429 5828 1 11 . 1 1 52 52 GLU H H 52 8.372 8.372 7.912 0.460 18429 5829 1 11 . 1 1 53 53 LYS N N 53 118.426 118.426 118.826 -0.400 18429 5830 1 11 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.180 -0.050 18429 5831 1 11 . 1 1 53 53 LYS C C 53 179.163 179.163 178.962 0.201 18429 5832 1 11 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.985 1.102 18429 5833 1 11 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.058 0.092 18429 5834 1 11 . 1 1 53 53 LYS H H 53 7.766 7.766 8.055 -0.289 18429 5835 1 11 . 1 1 54 54 PHE N N 54 120.522 120.522 121.640 -1.118 18429 5836 1 11 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.212 -0.110 18429 5837 1 11 . 1 1 54 54 PHE C C 54 176.920 176.920 176.726 0.194 18429 5838 1 11 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.180 0.357 18429 5839 1 11 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.169 0.243 18429 5840 1 11 . 1 1 54 54 PHE H H 54 7.990 7.990 8.215 -0.225 18429 5841 1 11 . 1 1 55 55 ARG N N 55 120.870 120.870 120.029 0.841 18429 5842 1 11 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.842 -0.016 18429 5843 1 11 . 1 1 55 55 ARG C C 55 178.383 178.383 177.948 0.435 18429 5844 1 11 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.755 0.205 18429 5845 1 11 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.929 2.186 18429 5846 1 11 . 1 1 55 55 ARG H H 55 8.774 8.774 8.084 0.690 18429 5847 1 11 . 1 1 56 56 ASP N N 56 119.776 119.776 118.326 1.450 18429 5848 1 11 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.337 -0.010 18429 5849 1 11 . 1 1 56 56 ASP C C 56 179.398 179.398 178.454 0.944 18429 5850 1 11 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.378 0.178 18429 5851 1 11 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.711 -0.894 18429 5852 1 11 . 1 1 56 56 ASP H H 56 8.491 8.491 8.043 0.448 18429 5853 1 11 . 1 1 57 57 GLU N N 57 120.418 120.418 119.633 0.785 18429 5854 1 11 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.098 -0.045 18429 5855 1 11 . 1 1 57 57 GLU C C 57 179.708 179.708 178.748 0.960 18429 5856 1 11 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.603 0.291 18429 5857 1 11 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.401 -0.025 18429 5858 1 11 . 1 1 57 57 GLU H H 57 7.894 7.894 7.676 0.218 18429 5859 1 11 . 1 1 58 58 MET N N 58 119.674 119.674 118.451 1.223 18429 5860 1 11 . 1 1 58 58 MET HA H 58 4.090 4.090 3.946 0.144 18429 5861 1 11 . 1 1 58 58 MET C C 58 178.137 178.137 178.167 -0.030 18429 5862 1 11 . 1 1 58 58 MET CA C 58 58.568 58.568 59.400 -0.832 18429 5863 1 11 . 1 1 58 58 MET CB C 58 31.846 31.846 32.199 -0.353 18429 5864 1 11 . 1 1 58 58 MET H H 58 8.352 8.352 7.995 0.357 18429 5865 1 11 . 1 1 59 59 GLU N N 59 119.770 119.770 119.707 0.063 18429 5866 1 11 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.997 -0.047 18429 5867 1 11 . 1 1 59 59 GLU C C 59 178.939 178.939 178.641 0.298 18429 5868 1 11 . 1 1 59 59 GLU CA C 59 59.744 59.744 60.395 -0.651 18429 5869 1 11 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.320 -0.143 18429 5870 1 11 . 1 1 59 59 GLU H H 59 8.717 8.717 8.146 0.571 18429 5871 1 11 . 1 1 60 60 GLN N N 60 117.895 117.895 119.084 -1.189 18429 5872 1 11 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.099 -0.128 18429 5873 1 11 . 1 1 60 60 GLN C C 60 178.052 178.052 178.645 -0.593 18429 5874 1 11 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.747 -0.493 18429 5875 1 11 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.466 -0.348 18429 5876 1 11 . 1 1 60 60 GLN H H 60 7.613 7.613 7.594 0.019 18429 5877 1 11 . 1 1 61 61 MET N N 61 118.464 118.464 117.723 0.741 18429 5878 1 11 . 1 1 61 61 MET HA H 61 4.080 4.080 4.134 -0.054 18429 5879 1 11 . 1 1 61 61 MET C C 61 178.545 178.545 178.622 -0.077 18429 5880 1 11 . 1 1 61 61 MET CA C 61 58.972 58.972 58.814 0.158 18429 5881 1 11 . 1 1 61 61 MET CB C 61 32.309 32.309 32.836 -0.527 18429 5882 1 11 . 1 1 61 61 MET H H 61 7.943 7.943 7.916 0.027 18429 5883 1 11 . 1 1 62 62 TYR N N 62 119.118 119.118 121.345 -2.227 18429 5884 1 11 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.268 -0.108 18429 5885 1 11 . 1 1 62 62 TYR C C 62 176.118 176.118 176.292 -0.174 18429 5886 1 11 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.764 -0.513 18429 5887 1 11 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.627 -0.238 18429 5888 1 11 . 1 1 62 62 TYR H H 62 8.313 8.313 8.182 0.131 18429 5889 1 11 . 1 1 63 63 LYS N N 63 117.899 117.899 117.123 0.776 18429 5890 1 11 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.786 0.010 18429 5891 1 11 . 1 1 63 63 LYS C C 63 178.470 178.470 177.167 1.303 18429 5892 1 11 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.651 1.151 18429 5893 1 11 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.255 -0.237 18429 5894 1 11 . 1 1 63 63 LYS H H 63 7.806 7.806 7.498 0.308 18429 5895 1 11 . 1 1 64 64 ASP N N 64 116.931 116.931 120.040 -3.109 18429 5896 1 11 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.495 -0.010 18429 5897 1 11 . 1 1 64 64 ASP C C 64 176.460 176.460 175.795 0.665 18429 5898 1 11 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.207 0.433 18429 5899 1 11 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.809 -0.613 18429 5900 1 11 . 1 1 64 64 ASP H H 64 7.771 7.771 7.748 0.023 18429 5901 1 11 . 1 1 65 65 ALA N N 65 121.417 121.417 121.462 -0.045 18429 5902 1 11 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.671 -0.079 18429 5903 1 11 . 1 1 65 65 ALA C C 65 180.460 180.460 174.754 5.706 18429 5904 1 11 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.696 0.527 18429 5905 1 11 . 1 1 65 65 ALA CB C 65 18.275 18.275 20.427 -2.152 18429 5906 1 11 . 1 1 65 65 ALA H H 65 7.536 7.536 7.530 0.006 18429 5907 1 11 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.353 -0.381 18429 5908 1 11 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.835 1.224 18429 5909 1 11 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.371 0.006 18429 5910 1 11 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.800 -0.350 18429 5911 1 11 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.256 4.086 18429 5912 1 11 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.448 2.135 18429 5913 1 11 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.946 0.341 18429 5914 1 11 . 1 1 68 68 ALA C C 68 180.039 180.039 178.874 1.165 18429 5915 1 11 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.664 0.294 18429 5916 1 11 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.618 1.219 18429 5917 1 11 . 1 1 69 69 VAL N N 69 119.699 119.699 120.812 -1.113 18429 5918 1 11 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.756 0.053 18429 5919 1 11 . 1 1 69 69 VAL C C 69 178.578 178.578 177.324 1.254 18429 5920 1 11 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.989 -0.078 18429 5921 1 11 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.766 -0.445 18429 5922 1 11 . 1 1 69 69 VAL H H 69 7.968 7.968 8.127 -0.159 18429 5923 1 11 . 1 1 70 70 MET N N 70 119.158 119.158 119.162 -0.004 18429 5924 1 11 . 1 1 70 70 MET HA H 70 4.411 4.411 3.986 0.425 18429 5925 1 11 . 1 1 70 70 MET C C 70 177.858 177.858 177.405 0.453 18429 5926 1 11 . 1 1 70 70 MET CA C 70 56.540 56.540 59.039 -2.499 18429 5927 1 11 . 1 1 70 70 MET CB C 70 31.927 31.927 32.485 -0.558 18429 5928 1 11 . 1 1 70 70 MET H H 70 8.195 8.195 7.524 0.671 18429 5929 1 11 . 1 1 71 71 GLU N N 71 119.109 119.109 119.238 -0.129 18429 5930 1 11 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.178 0.344 18429 5931 1 11 . 1 1 71 71 GLU C C 71 178.949 178.949 178.740 0.209 18429 5932 1 11 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.220 0.581 18429 5933 1 11 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.372 0.315 18429 5934 1 11 . 1 1 71 71 GLU H H 71 8.122 8.122 7.739 0.383 18429 5935 1 11 . 1 1 72 72 GLN N N 72 118.471 118.471 118.194 0.277 18429 5936 1 11 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.031 0.091 18429 5937 1 11 . 1 1 72 72 GLN C C 72 178.597 178.597 178.659 -0.062 18429 5938 1 11 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.248 0.267 18429 5939 1 11 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.390 -0.279 18429 5940 1 11 . 1 1 72 72 GLN H H 72 7.662 7.662 7.723 -0.061 18429 5941 1 11 . 1 1 73 73 LEU N N 73 120.880 120.880 119.599 1.281 18429 5942 1 11 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.008 0.036 18429 5943 1 11 . 1 1 73 73 LEU C C 73 178.992 178.992 179.105 -0.113 18429 5944 1 11 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.517 0.530 18429 5945 1 11 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.458 -0.081 18429 5946 1 11 . 1 1 73 73 LEU H H 73 8.170 8.170 7.863 0.307 18429 5947 1 11 . 1 1 74 74 LEU N N 74 119.628 119.628 119.503 0.125 18429 5948 1 11 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.862 0.090 18429 5949 1 11 . 1 1 74 74 LEU C C 74 179.088 179.088 178.782 0.306 18429 5950 1 11 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.604 -0.830 18429 5951 1 11 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.320 -0.253 18429 5952 1 11 . 1 1 74 74 LEU H H 74 8.396 8.396 7.502 0.894 18429 5953 1 11 . 1 1 75 75 GLU N N 75 119.588 119.588 118.916 0.672 18429 5954 1 11 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.922 0.123 18429 5955 1 11 . 1 1 75 75 GLU C C 75 179.772 179.772 178.881 0.891 18429 5956 1 11 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.441 -0.180 18429 5957 1 11 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.566 -0.699 18429 5958 1 11 . 1 1 75 75 GLU H H 75 7.622 7.622 7.518 0.104 18429 5959 1 11 . 1 1 76 76 GLU N N 76 118.750 118.750 119.052 -0.302 18429 5960 1 11 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.085 0.004 18429 5961 1 11 . 1 1 76 76 GLU C C 76 180.103 180.103 179.310 0.793 18429 5962 1 11 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.848 0.261 18429 5963 1 11 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.121 0.244 18429 5964 1 11 . 1 1 76 76 GLU H H 76 8.127 8.127 8.195 -0.068 18429 5965 1 11 . 1 1 77 77 ILE N N 77 121.044 121.044 119.599 1.445 18429 5966 1 11 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.707 0.117 18429 5967 1 11 . 1 1 77 77 ILE C C 77 177.219 177.219 178.068 -0.849 18429 5968 1 11 . 1 1 77 77 ILE CA C 77 64.546 64.546 66.051 -1.505 18429 5969 1 11 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.703 -0.556 18429 5970 1 11 . 1 1 77 77 ILE H H 77 8.715 8.715 7.636 1.079 18429 5971 1 11 . 1 1 78 78 GLU N N 78 121.847 121.847 119.824 2.023 18429 5972 1 11 . 1 1 78 78 GLU HA H 78 4.042 4.042 4.039 0.003 18429 5973 1 11 . 1 1 78 78 GLU C C 78 179.644 179.644 178.830 0.814 18429 5974 1 11 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.629 -0.143 18429 5975 1 11 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.240 -0.254 18429 5976 1 11 . 1 1 78 78 GLU H H 78 8.161 8.161 8.031 0.130 18429 5977 1 11 . 1 1 79 79 LYS N N 79 118.842 118.842 119.469 -0.627 18429 5978 1 11 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.106 -0.144 18429 5979 1 11 . 1 1 79 79 LYS C C 79 179.729 179.729 179.472 0.257 18429 5980 1 11 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.227 0.514 18429 5981 1 11 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.396 0.034 18429 5982 1 11 . 1 1 79 79 LYS H H 79 7.756 7.756 7.800 -0.044 18429 5983 1 11 . 1 1 80 80 LEU N N 80 120.440 120.440 120.225 0.215 18429 5984 1 11 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.186 -0.133 18429 5985 1 11 . 1 1 80 80 LEU C C 80 178.939 178.939 179.003 -0.064 18429 5986 1 11 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.153 0.802 18429 5987 1 11 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.226 0.450 18429 5988 1 11 . 1 1 80 80 LEU H H 80 7.805 7.805 8.036 -0.231 18429 5989 1 11 . 1 1 81 81 LEU N N 81 119.519 119.519 120.816 -1.297 18429 5990 1 11 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.953 0.002 18429 5991 1 11 . 1 1 81 81 LEU C C 81 179.366 179.366 178.931 0.435 18429 5992 1 11 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.176 -0.400 18429 5993 1 11 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.101 0.516 18429 5994 1 11 . 1 1 81 81 LEU H H 81 8.423 8.423 8.298 0.125 18429 5995 1 11 . 1 1 82 82 LYS N N 82 119.070 119.070 118.380 0.690 18429 5996 1 11 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.009 0.122 18429 5997 1 11 . 1 1 82 82 LYS C C 82 179.237 179.237 178.683 0.554 18429 5998 1 11 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.832 0.040 18429 5999 1 11 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.089 0.123 18429 6000 1 11 . 1 1 82 82 LYS H H 82 7.804 7.804 7.765 0.039 18429 6001 1 11 . 1 1 83 83 LYS N N 83 119.647 119.647 117.361 2.286 18429 6002 1 11 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.141 0.100 18429 6003 1 11 . 1 1 83 83 LYS C C 83 178.234 178.234 178.250 -0.016 18429 6004 1 11 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.528 -0.200 18429 6005 1 11 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.416 -0.227 18429 6006 1 11 . 1 1 83 83 LYS H H 83 7.737 7.737 7.541 0.196 18429 6007 1 11 . 1 1 84 84 ALA N N 84 122.121 122.121 120.444 1.677 18429 6008 1 11 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.209 -0.139 18429 6009 1 11 . 1 1 84 84 ALA C C 84 179.003 179.003 177.614 1.389 18429 6010 1 11 . 1 1 84 84 ALA CA C 84 53.922 53.922 53.144 0.778 18429 6011 1 11 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.829 -1.654 18429 6012 1 11 . 1 1 84 84 ALA H H 84 8.259 8.259 7.783 0.476 18429 6013 1 11 . 1 1 85 85 GLY N N 85 105.518 105.518 105.212 0.306 18429 6014 1 11 . 1 1 85 85 GLY C C 85 174.759 174.759 172.633 2.126 18429 6015 1 11 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.123 1.614 18429 6016 1 11 . 1 1 85 85 GLY H H 85 8.191 8.191 7.696 0.495 18429 6017 1 11 . 1 1 86 86 SER N N 86 114.680 114.680 113.365 1.315 18429 6018 1 11 . 1 1 86 86 SER HA H 86 4.512 4.512 4.190 0.322 18429 6019 1 11 . 1 1 86 86 SER C C 86 174.452 174.452 173.799 0.653 18429 6020 1 11 . 1 1 86 86 SER CA C 86 58.641 58.641 58.391 0.250 18429 6021 1 11 . 1 1 86 86 SER CB C 86 63.751 63.751 63.465 0.286 18429 6022 1 11 . 1 1 86 86 SER H H 86 7.884 7.884 8.222 -0.338 18429 6023 1 11 . 1 1 87 87 LEU N N 87 122.300 122.300 125.387 -3.087 18429 6024 1 11 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.278 0.054 18429 6025 1 11 . 1 1 87 87 LEU C C 87 176.845 176.845 176.687 0.158 18429 6026 1 11 . 1 1 87 87 LEU CA C 87 54.992 54.992 54.690 0.302 18429 6027 1 11 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.904 1.020 18429 6028 1 11 . 1 1 87 87 LEU H H 87 7.806 7.806 8.429 -0.623 18429 6029 1 11 . 1 1 88 88 VAL N N 88 120.869 120.869 122.421 -1.552 18429 6030 1 11 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.291 0.096 18429 6031 1 11 . 1 1 88 88 VAL C C 88 174.367 174.367 175.442 -1.075 18429 6032 1 11 . 1 1 88 88 VAL CA C 88 59.756 59.756 59.474 0.282 18429 6033 1 11 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.628 0.750 18429 6034 1 11 . 1 1 88 88 VAL H H 88 7.849 7.849 7.766 0.083 18429 6035 1 11 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.400 0.012 18429 6036 1 11 . 1 1 89 89 PRO C C 89 176.898 176.898 176.313 0.585 18429 6037 1 11 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.047 -0.118 18429 6038 1 11 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.585 -0.659 18429 6039 1 11 . 1 1 90 90 ARG N N 90 121.893 121.893 121.678 0.215 18429 6040 1 11 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.125 0.166 18429 6041 1 11 . 1 1 90 90 ARG C C 90 177.081 177.081 177.189 -0.108 18429 6042 1 11 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.238 0.087 18429 6043 1 11 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.575 -0.021 18429 6044 1 11 . 1 1 90 90 ARG H H 90 8.528 8.528 8.402 0.126 18429 6045 1 11 . 1 1 91 91 GLY N N 91 109.932 109.932 112.951 -3.019 18429 6046 1 11 . 1 1 91 91 GLY C C 91 174.324 174.324 173.846 0.478 18429 6047 1 11 . 1 1 91 91 GLY CA C 91 45.293 45.293 45.465 -0.172 18429 6048 1 11 . 1 1 91 91 GLY H H 91 8.551 8.551 8.598 -0.047 18429 6049 1 11 . 1 1 92 92 SER N N 92 115.612 115.612 117.871 -2.259 18429 6050 1 11 . 1 1 92 92 SER HA H 92 4.407 4.407 4.480 -0.073 18429 6051 1 11 . 1 1 92 92 SER C C 92 174.463 174.463 172.664 1.799 18429 6052 1 11 . 1 1 92 92 SER CA C 92 58.310 58.310 58.050 0.260 18429 6053 1 11 . 1 1 92 92 SER CB C 92 63.616 63.616 64.392 -0.777 18429 6054 1 11 . 1 1 92 92 SER H H 92 8.183 8.183 7.840 0.343 18429 6055 1 11 . 1 1 93 93 TYR N N 93 122.140 122.140 125.103 -2.963 18429 6056 1 11 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.853 -0.347 18429 6057 1 11 . 1 1 93 93 TYR C C 93 175.659 175.659 174.812 0.847 18429 6058 1 11 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.651 0.454 18429 6059 1 11 . 1 1 93 93 TYR CB C 93 38.291 38.291 39.905 -1.614 18429 6060 1 11 . 1 1 93 93 TYR H H 93 8.206 8.206 8.190 0.016 18429 6061 1 11 . 1 1 94 94 LEU N N 94 123.025 123.025 125.941 -2.916 18429 6062 1 11 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.535 -0.336 18429 6063 1 11 . 1 1 94 94 LEU C C 94 177.037 177.037 175.868 1.169 18429 6064 1 11 . 1 1 94 94 LEU CA C 94 54.945 54.945 55.411 -0.466 18429 6065 1 11 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.848 -0.682 18429 6066 1 11 . 1 1 94 94 LEU H H 94 8.007 8.007 8.454 -0.447 18429 6067 1 11 . 1 1 95 95 GLU N N 95 120.848 120.848 125.539 -4.691 18429 6068 1 11 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.464 -0.348 18429 6069 1 11 . 1 1 95 95 GLU C C 95 176.268 176.268 175.221 1.047 18429 6070 1 11 . 1 1 95 95 GLU CA C 95 56.713 56.713 55.926 0.787 18429 6071 1 11 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.802 0.244 18429 6072 1 11 . 1 1 95 95 GLU H H 95 8.141 8.141 8.303 -0.162 18429 6073 1 11 . 1 1 96 96 HIS N N 96 119.288 119.288 121.986 -2.698 18429 6074 1 11 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.813 -0.243 18429 6075 1 11 . 1 1 96 96 HIS C C 96 174.100 174.100 175.280 -1.180 18429 6076 1 11 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.429 0.410 18429 6077 1 11 . 1 1 96 96 HIS CB C 96 30.404 30.404 31.748 -1.344 18429 6078 1 11 . 1 1 96 96 HIS H H 96 8.144 8.144 8.515 -0.371 18429 6079 1 11 . 1 1 97 97 HIS N N 97 125.622 125.622 124.757 0.865 18429 6080 1 11 . 1 1 97 97 HIS C C 97 179.480 179.480 174.700 4.780 18429 6081 1 11 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.650 1.797 18429 6082 1 11 . 1 1 97 97 HIS CB C 97 30.754 30.754 28.829 1.925 18429 6083 1 11 . 1 1 97 97 HIS H H 97 8.017 8.017 8.640 -0.623 18429 6084 1 12 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.441 -0.125 18429 6085 1 12 . 1 1 2 2 GLN C C 2 177.028 177.028 174.867 2.161 18429 6086 1 12 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.486 0.314 18429 6087 1 12 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.475 -0.591 18429 6088 1 12 . 1 1 3 3 GLU N N 3 123.654 123.654 120.392 3.262 18429 6089 1 12 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.379 -0.302 18429 6090 1 12 . 1 1 3 3 GLU C C 3 177.945 177.945 177.843 0.102 18429 6091 1 12 . 1 1 3 3 GLU CA C 3 59.110 59.110 57.467 1.643 18429 6092 1 12 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.817 -0.474 18429 6093 1 12 . 1 1 3 3 GLU H H 3 8.995 8.995 8.244 0.751 18429 6094 1 12 . 1 1 4 4 GLU N N 4 119.237 119.237 120.743 -1.506 18429 6095 1 12 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.143 -0.074 18429 6096 1 12 . 1 1 4 4 GLU C C 4 178.815 178.815 179.060 -0.245 18429 6097 1 12 . 1 1 4 4 GLU CA C 4 59.152 59.152 59.378 -0.226 18429 6098 1 12 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.374 -0.156 18429 6099 1 12 . 1 1 4 4 GLU H H 4 8.837 8.837 8.352 0.485 18429 6100 1 12 . 1 1 5 5 ARG N N 5 120.052 120.052 119.139 0.913 18429 6101 1 12 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.105 -0.154 18429 6102 1 12 . 1 1 5 5 ARG C C 5 177.324 177.324 178.508 -1.184 18429 6103 1 12 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.479 -0.238 18429 6104 1 12 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.824 0.157 18429 6105 1 12 . 1 1 5 5 ARG H H 5 7.884 7.884 8.378 -0.494 18429 6106 1 12 . 1 1 6 6 LYS N N 6 119.327 119.327 119.624 -0.297 18429 6107 1 12 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.049 -0.069 18429 6108 1 12 . 1 1 6 6 LYS C C 6 178.939 178.939 178.971 -0.032 18429 6109 1 12 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.036 0.296 18429 6110 1 12 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.803 0.351 18429 6111 1 12 . 1 1 6 6 LYS H H 6 7.998 7.998 8.171 -0.172 18429 6112 1 12 . 1 1 7 7 LYS N N 7 117.908 117.908 120.114 -2.206 18429 6113 1 12 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.090 0.006 18429 6114 1 12 . 1 1 7 7 LYS C C 7 179.332 179.332 178.880 0.452 18429 6115 1 12 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.665 0.102 18429 6116 1 12 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.251 0.046 18429 6117 1 12 . 1 1 7 7 LYS H H 7 7.917 7.917 7.777 0.140 18429 6118 1 12 . 1 1 8 8 LEU N N 8 120.724 120.724 121.015 -0.291 18429 6119 1 12 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.058 -0.009 18429 6120 1 12 . 1 1 8 8 LEU C C 8 178.490 178.490 179.026 -0.536 18429 6121 1 12 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.144 -0.455 18429 6122 1 12 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.444 0.161 18429 6123 1 12 . 1 1 8 8 LEU H H 8 7.686 7.686 7.779 -0.093 18429 6124 1 12 . 1 1 9 9 LEU N N 9 118.886 118.886 117.270 1.616 18429 6125 1 12 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.928 0.010 18429 6126 1 12 . 1 1 9 9 LEU C C 9 178.981 178.981 178.951 0.030 18429 6127 1 12 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.431 0.527 18429 6128 1 12 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.299 -0.457 18429 6129 1 12 . 1 1 9 9 LEU H H 9 8.158 8.158 8.047 0.111 18429 6130 1 12 . 1 1 10 10 GLU N N 10 119.000 119.000 120.474 -1.474 18429 6131 1 12 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.925 0.127 18429 6132 1 12 . 1 1 10 10 GLU C C 10 179.601 179.601 178.660 0.941 18429 6133 1 12 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.663 -0.385 18429 6134 1 12 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.552 -0.266 18429 6135 1 12 . 1 1 10 10 GLU H H 10 8.069 8.069 7.952 0.117 18429 6136 1 12 . 1 1 11 11 LYS N N 11 119.446 119.446 119.523 -0.077 18429 6137 1 12 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.056 0.027 18429 6138 1 12 . 1 1 11 11 LYS C C 11 178.971 178.971 179.047 -0.076 18429 6139 1 12 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.342 0.430 18429 6140 1 12 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.956 0.040 18429 6141 1 12 . 1 1 11 11 LYS H H 11 7.676 7.676 7.764 -0.088 18429 6142 1 12 . 1 1 12 12 LEU N N 12 120.017 120.017 119.771 0.246 18429 6143 1 12 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.842 0.042 18429 6144 1 12 . 1 1 12 12 LEU C C 12 177.977 177.977 178.350 -0.373 18429 6145 1 12 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.650 -0.925 18429 6146 1 12 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.709 -0.132 18429 6147 1 12 . 1 1 12 12 LEU H H 12 8.378 8.378 7.602 0.776 18429 6148 1 12 . 1 1 13 13 GLU N N 13 117.914 117.914 118.982 -1.068 18429 6149 1 12 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.727 -0.031 18429 6150 1 12 . 1 1 13 13 GLU C C 13 177.934 177.934 178.564 -0.630 18429 6151 1 12 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.657 0.459 18429 6152 1 12 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.373 0.025 18429 6153 1 12 . 1 1 13 13 GLU H H 13 8.458 8.458 7.644 0.814 18429 6154 1 12 . 1 1 14 14 LYS N N 14 117.629 117.629 119.648 -2.019 18429 6155 1 12 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.052 0.083 18429 6156 1 12 . 1 1 14 14 LYS C C 14 179.227 179.227 178.865 0.362 18429 6157 1 12 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.265 -0.399 18429 6158 1 12 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.242 -0.115 18429 6159 1 12 . 1 1 14 14 LYS H H 14 7.365 7.365 7.254 0.111 18429 6160 1 12 . 1 1 15 15 ILE N N 15 119.583 119.583 120.045 -0.462 18429 6161 1 12 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.678 0.099 18429 6162 1 12 . 1 1 15 15 ILE C C 15 178.009 178.009 178.242 -0.233 18429 6163 1 12 . 1 1 15 15 ILE CA C 15 64.889 64.889 64.702 0.187 18429 6164 1 12 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.753 0.447 18429 6165 1 12 . 1 1 15 15 ILE H H 15 7.726 7.726 7.349 0.377 18429 6166 1 12 . 1 1 16 16 LEU N N 16 118.601 118.601 119.878 -1.277 18429 6167 1 12 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.804 0.049 18429 6168 1 12 . 1 1 16 16 LEU C C 16 179.729 179.729 178.730 0.999 18429 6169 1 12 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.841 -0.999 18429 6170 1 12 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.541 0.096 18429 6171 1 12 . 1 1 16 16 LEU H H 16 8.372 8.372 8.142 0.230 18429 6172 1 12 . 1 1 17 17 ASP N N 17 120.008 120.008 119.213 0.795 18429 6173 1 12 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.437 -0.101 18429 6174 1 12 . 1 1 17 17 ASP C C 17 178.148 178.148 179.090 -0.942 18429 6175 1 12 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.371 -0.082 18429 6176 1 12 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.422 -0.154 18429 6177 1 12 . 1 1 17 17 ASP H H 17 8.192 8.192 7.589 0.603 18429 6178 1 12 . 1 1 18 18 GLU N N 18 119.362 119.362 119.954 -0.592 18429 6179 1 12 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.162 -0.011 18429 6180 1 12 . 1 1 18 18 GLU C C 18 179.653 179.653 179.402 0.251 18429 6181 1 12 . 1 1 18 18 GLU CA C 18 59.255 59.255 59.062 0.193 18429 6182 1 12 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.528 -0.328 18429 6183 1 12 . 1 1 18 18 GLU H H 18 7.860 7.860 8.075 -0.215 18429 6184 1 12 . 1 1 19 19 VAL N N 19 118.483 118.483 118.707 -0.224 18429 6185 1 12 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.914 -0.088 18429 6186 1 12 . 1 1 19 19 VAL C C 19 177.496 177.496 178.147 -0.651 18429 6187 1 12 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.013 -1.116 18429 6188 1 12 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.291 0.518 18429 6189 1 12 . 1 1 19 19 VAL H H 19 8.416 8.416 8.503 -0.087 18429 6190 1 12 . 1 1 20 20 THR N N 20 112.904 112.904 113.406 -0.502 18429 6191 1 12 . 1 1 20 20 THR HA H 20 3.856 3.856 4.013 -0.157 18429 6192 1 12 . 1 1 20 20 THR C C 20 175.894 175.894 176.258 -0.364 18429 6193 1 12 . 1 1 20 20 THR CA C 20 65.696 65.696 66.189 -0.493 18429 6194 1 12 . 1 1 20 20 THR CB C 20 68.587 68.587 68.508 0.078 18429 6195 1 12 . 1 1 20 20 THR H H 20 7.985 7.985 7.969 0.016 18429 6196 1 12 . 1 1 21 21 ASP N N 21 120.510 120.510 120.759 -0.249 18429 6197 1 12 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.533 -0.090 18429 6198 1 12 . 1 1 21 21 ASP C C 21 177.358 177.358 178.256 -0.898 18429 6199 1 12 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.760 -0.392 18429 6200 1 12 . 1 1 21 21 ASP CB C 21 40.873 40.873 41.168 -0.295 18429 6201 1 12 . 1 1 21 21 ASP H H 21 7.935 7.935 7.803 0.132 18429 6202 1 12 . 1 1 22 22 GLY N N 22 106.730 106.730 106.774 -0.044 18429 6203 1 12 . 1 1 22 22 GLY C C 22 174.004 174.004 174.261 -0.257 18429 6204 1 12 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.852 -0.025 18429 6205 1 12 . 1 1 22 22 GLY H H 22 7.939 7.939 7.774 0.165 18429 6206 1 12 . 1 1 23 23 ALA N N 23 124.286 124.286 124.556 -0.270 18429 6207 1 12 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.431 0.077 18429 6208 1 12 . 1 1 23 23 ALA C C 23 174.921 174.921 175.799 -0.878 18429 6209 1 12 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.507 -0.156 18429 6210 1 12 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.542 -1.038 18429 6211 1 12 . 1 1 23 23 ALA H H 23 7.531 7.531 7.439 0.092 18429 6212 1 12 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.490 0.073 18429 6213 1 12 . 1 1 24 24 PRO C C 24 177.571 177.571 177.334 0.237 18429 6214 1 12 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.914 -0.424 18429 6215 1 12 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.223 -0.125 18429 6216 1 12 . 1 1 25 25 ASP N N 25 122.828 122.828 122.351 0.477 18429 6217 1 12 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.193 0.062 18429 6218 1 12 . 1 1 25 25 ASP C C 25 178.298 178.298 178.159 0.139 18429 6219 1 12 . 1 1 25 25 ASP CA C 25 58.063 58.063 58.399 -0.336 18429 6220 1 12 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.740 -0.223 18429 6221 1 12 . 1 1 25 25 ASP H H 25 8.779 8.779 8.749 0.030 18429 6222 1 12 . 1 1 26 26 GLU N N 26 117.055 117.055 117.072 -0.017 18429 6223 1 12 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.125 0.010 18429 6224 1 12 . 1 1 26 26 GLU C C 26 177.454 177.454 177.711 -0.257 18429 6225 1 12 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.256 0.968 18429 6226 1 12 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.410 -0.856 18429 6227 1 12 . 1 1 26 26 GLU H H 26 9.324 9.324 8.515 0.809 18429 6228 1 12 . 1 1 27 27 ALA N N 27 120.789 120.789 122.405 -1.616 18429 6229 1 12 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.242 0.169 18429 6230 1 12 . 1 1 27 27 ALA C C 27 178.065 178.065 179.169 -1.104 18429 6231 1 12 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.774 -0.895 18429 6232 1 12 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.567 1.329 18429 6233 1 12 . 1 1 27 27 ALA H H 27 7.474 7.474 7.716 -0.242 18429 6234 1 12 . 1 1 28 28 ARG N N 28 118.872 118.872 119.395 -0.523 18429 6235 1 12 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.921 -0.246 18429 6236 1 12 . 1 1 28 28 ARG C C 28 177.550 177.550 177.776 -0.226 18429 6237 1 12 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.886 0.716 18429 6238 1 12 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.193 -0.649 18429 6239 1 12 . 1 1 28 28 ARG H H 28 7.803 7.803 8.054 -0.251 18429 6240 1 12 . 1 1 29 29 GLU N N 29 117.512 117.512 117.716 -0.204 18429 6241 1 12 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.105 -0.063 18429 6242 1 12 . 1 1 29 29 GLU C C 29 179.122 179.122 179.057 0.065 18429 6243 1 12 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.200 0.407 18429 6244 1 12 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.162 0.079 18429 6245 1 12 . 1 1 29 29 GLU H H 29 8.490 8.490 8.120 0.370 18429 6246 1 12 . 1 1 30 30 ARG N N 30 119.240 119.240 119.065 0.175 18429 6247 1 12 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.124 0.010 18429 6248 1 12 . 1 1 30 30 ARG C C 30 179.248 179.248 178.675 0.573 18429 6249 1 12 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.697 0.132 18429 6250 1 12 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.693 0.172 18429 6251 1 12 . 1 1 30 30 ARG H H 30 7.789 7.789 7.694 0.095 18429 6252 1 12 . 1 1 31 31 ILE N N 31 120.920 120.920 118.469 2.451 18429 6253 1 12 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.807 -0.069 18429 6254 1 12 . 1 1 31 31 ILE C C 31 177.089 177.089 178.158 -1.069 18429 6255 1 12 . 1 1 31 31 ILE CA C 31 63.818 63.818 64.622 -0.804 18429 6256 1 12 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.701 -0.616 18429 6257 1 12 . 1 1 31 31 ILE H H 31 8.256 8.256 7.343 0.913 18429 6258 1 12 . 1 1 32 32 GLU N N 32 120.281 120.281 119.706 0.575 18429 6259 1 12 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.914 0.022 18429 6260 1 12 . 1 1 32 32 GLU C C 32 179.429 179.429 178.829 0.600 18429 6261 1 12 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.628 -0.069 18429 6262 1 12 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.159 0.244 18429 6263 1 12 . 1 1 32 32 GLU H H 32 8.697 8.697 8.238 0.459 18429 6264 1 12 . 1 1 33 33 LYS N N 33 119.737 119.737 119.957 -0.220 18429 6265 1 12 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.096 -0.038 18429 6266 1 12 . 1 1 33 33 LYS C C 33 178.159 178.159 178.966 -0.807 18429 6267 1 12 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.185 0.226 18429 6268 1 12 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.590 -0.540 18429 6269 1 12 . 1 1 33 33 LYS H H 33 7.764 7.764 7.368 0.396 18429 6270 1 12 . 1 1 34 34 LEU N N 34 120.133 120.133 120.499 -0.366 18429 6271 1 12 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.474 -0.242 18429 6272 1 12 . 1 1 34 34 LEU C C 34 178.629 178.629 178.593 0.036 18429 6273 1 12 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.084 0.423 18429 6274 1 12 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.786 0.011 18429 6275 1 12 . 1 1 34 34 LEU H H 34 7.790 7.790 7.543 0.246 18429 6276 1 12 . 1 1 35 35 ALA N N 35 119.492 119.492 120.938 -1.446 18429 6277 1 12 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.929 -0.161 18429 6278 1 12 . 1 1 35 35 ALA C C 35 179.297 179.297 179.316 -0.019 18429 6279 1 12 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.252 -0.229 18429 6280 1 12 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.042 0.149 18429 6281 1 12 . 1 1 35 35 ALA H H 35 8.634 8.634 8.394 0.240 18429 6282 1 12 . 1 1 36 36 LYS N N 36 118.470 118.470 119.103 -0.633 18429 6283 1 12 . 1 1 36 36 LYS HA H 36 3.931 3.931 4.011 -0.080 18429 6284 1 12 . 1 1 36 36 LYS C C 36 178.223 178.223 178.447 -0.224 18429 6285 1 12 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.481 -0.286 18429 6286 1 12 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.282 -0.227 18429 6287 1 12 . 1 1 36 36 LYS H H 36 7.704 7.704 7.655 0.049 18429 6288 1 12 . 1 1 37 37 ASP N N 37 120.075 120.075 119.347 0.728 18429 6289 1 12 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.543 -0.140 18429 6290 1 12 . 1 1 37 37 ASP C C 37 179.334 179.334 178.910 0.424 18429 6291 1 12 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.435 -0.254 18429 6292 1 12 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.701 -0.724 18429 6293 1 12 . 1 1 37 37 ASP H H 37 8.203 8.203 7.607 0.596 18429 6294 1 12 . 1 1 38 38 VAL N N 38 118.202 118.202 119.346 -1.144 18429 6295 1 12 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.579 0.044 18429 6296 1 12 . 1 1 38 38 VAL C C 38 177.017 177.017 177.590 -0.573 18429 6297 1 12 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.650 -0.982 18429 6298 1 12 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.511 -0.274 18429 6299 1 12 . 1 1 38 38 VAL H H 38 8.215 8.215 7.979 0.236 18429 6300 1 12 . 1 1 39 39 LYS N N 39 119.236 119.236 119.362 -0.126 18429 6301 1 12 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.958 -0.148 18429 6302 1 12 . 1 1 39 39 LYS C C 39 178.575 178.575 178.889 -0.314 18429 6303 1 12 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.639 0.074 18429 6304 1 12 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.869 0.222 18429 6305 1 12 . 1 1 39 39 LYS H H 39 7.780 7.780 7.398 0.382 18429 6306 1 12 . 1 1 40 40 ASP N N 40 118.227 118.227 120.126 -1.899 18429 6307 1 12 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.361 0.091 18429 6308 1 12 . 1 1 40 40 ASP C C 40 178.137 178.137 178.743 -0.606 18429 6309 1 12 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.663 -1.240 18429 6310 1 12 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.364 0.046 18429 6311 1 12 . 1 1 40 40 ASP H H 40 8.273 8.273 8.146 0.127 18429 6312 1 12 . 1 1 41 41 GLU N N 41 119.896 119.896 118.224 1.672 18429 6313 1 12 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.592 -0.361 18429 6314 1 12 . 1 1 41 41 GLU C C 41 177.849 177.849 178.387 -0.538 18429 6315 1 12 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.146 0.239 18429 6316 1 12 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.453 0.278 18429 6317 1 12 . 1 1 41 41 GLU H H 41 7.875 7.875 7.514 0.361 18429 6318 1 12 . 1 1 42 42 LEU N N 42 119.906 119.906 118.883 1.023 18429 6319 1 12 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.082 0.042 18429 6320 1 12 . 1 1 42 42 LEU C C 42 178.276 178.276 178.738 -0.462 18429 6321 1 12 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.990 -0.277 18429 6322 1 12 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.595 0.553 18429 6323 1 12 . 1 1 42 42 LEU H H 42 7.952 7.952 7.867 0.085 18429 6324 1 12 . 1 1 43 43 GLU N N 43 117.735 117.735 118.371 -0.636 18429 6325 1 12 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.262 -0.127 18429 6326 1 12 . 1 1 43 43 GLU C C 43 177.582 177.582 176.775 0.807 18429 6327 1 12 . 1 1 43 43 GLU CA C 43 58.804 58.804 57.897 0.907 18429 6328 1 12 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.428 -0.857 18429 6329 1 12 . 1 1 43 43 GLU H H 43 8.020 8.020 7.850 0.170 18429 6330 1 12 . 1 1 44 44 GLU N N 44 116.308 116.308 115.541 0.767 18429 6331 1 12 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.489 -0.073 18429 6332 1 12 . 1 1 44 44 GLU C C 44 177.133 177.133 175.432 1.701 18429 6333 1 12 . 1 1 44 44 GLU CA C 44 56.448 56.448 55.546 0.902 18429 6334 1 12 . 1 1 44 44 GLU CB C 44 31.114 31.114 32.337 -1.223 18429 6335 1 12 . 1 1 44 44 GLU H H 44 8.128 8.128 7.803 0.325 18429 6336 1 12 . 1 1 45 45 GLY N N 45 109.450 109.450 110.175 -0.725 18429 6337 1 12 . 1 1 45 45 GLY C C 45 173.685 173.685 173.436 0.249 18429 6338 1 12 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.939 0.435 18429 6339 1 12 . 1 1 45 45 GLY H H 45 8.156 8.156 8.530 -0.374 18429 6340 1 12 . 1 1 46 46 ASP N N 46 120.995 120.995 123.471 -2.476 18429 6341 1 12 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.900 -0.212 18429 6342 1 12 . 1 1 46 46 ASP C C 46 176.375 176.375 175.241 1.134 18429 6343 1 12 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.869 -0.244 18429 6344 1 12 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.914 -0.707 18429 6345 1 12 . 1 1 46 46 ASP H H 46 8.467 8.467 8.636 -0.169 18429 6346 1 12 . 1 1 47 47 ALA N N 47 124.626 124.626 127.958 -3.332 18429 6347 1 12 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.173 -0.050 18429 6348 1 12 . 1 1 47 47 ALA C C 47 178.084 178.084 178.542 -0.458 18429 6349 1 12 . 1 1 47 47 ALA CA C 47 53.941 53.941 53.971 -0.030 18429 6350 1 12 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.344 -0.360 18429 6351 1 12 . 1 1 47 47 ALA H H 47 8.483 8.483 8.511 -0.028 18429 6352 1 12 . 1 1 48 48 LYS N N 48 118.214 118.214 119.968 -1.754 18429 6353 1 12 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.990 -0.189 18429 6354 1 12 . 1 1 48 48 LYS C C 48 177.582 177.582 178.416 -0.834 18429 6355 1 12 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.131 0.981 18429 6356 1 12 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.243 -0.083 18429 6357 1 12 . 1 1 48 48 LYS H H 48 8.349 8.349 8.119 0.230 18429 6358 1 12 . 1 1 49 49 ASN N N 49 116.387 116.387 118.182 -1.795 18429 6359 1 12 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.698 -0.190 18429 6360 1 12 . 1 1 49 49 ASN C C 49 177.753 177.753 177.692 0.061 18429 6361 1 12 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.117 -0.136 18429 6362 1 12 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.408 -0.043 18429 6363 1 12 . 1 1 49 49 ASN H H 49 8.184 8.184 8.523 -0.339 18429 6364 1 12 . 1 1 50 50 MET N N 50 118.627 118.627 117.791 0.836 18429 6365 1 12 . 1 1 50 50 MET HA H 50 4.335 4.335 4.317 0.017 18429 6366 1 12 . 1 1 50 50 MET C C 50 178.683 178.683 178.705 -0.022 18429 6367 1 12 . 1 1 50 50 MET CA C 50 57.203 57.203 57.122 0.081 18429 6368 1 12 . 1 1 50 50 MET CB C 50 32.289 32.289 31.638 0.651 18429 6369 1 12 . 1 1 50 50 MET H H 50 8.189 8.189 7.545 0.644 18429 6370 1 12 . 1 1 51 51 ILE N N 51 120.778 120.778 120.534 0.244 18429 6371 1 12 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.671 0.022 18429 6372 1 12 . 1 1 51 51 ILE C C 51 177.667 177.667 178.138 -0.471 18429 6373 1 12 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.374 -0.010 18429 6374 1 12 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.118 0.166 18429 6375 1 12 . 1 1 51 51 ILE H H 51 8.475 8.475 7.710 0.765 18429 6376 1 12 . 1 1 52 52 GLU N N 52 120.715 120.715 120.113 0.602 18429 6377 1 12 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.954 -0.115 18429 6378 1 12 . 1 1 52 52 GLU C C 52 178.201 178.201 179.174 -0.973 18429 6379 1 12 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.718 0.409 18429 6380 1 12 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.424 -0.178 18429 6381 1 12 . 1 1 52 52 GLU H H 52 8.372 8.372 7.813 0.559 18429 6382 1 12 . 1 1 53 53 LYS N N 53 118.426 118.426 118.864 -0.438 18429 6383 1 12 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.166 -0.036 18429 6384 1 12 . 1 1 53 53 LYS C C 53 179.163 179.163 179.020 0.143 18429 6385 1 12 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.327 0.760 18429 6386 1 12 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.225 -0.075 18429 6387 1 12 . 1 1 53 53 LYS H H 53 7.766 7.766 8.167 -0.401 18429 6388 1 12 . 1 1 54 54 PHE N N 54 120.522 120.522 120.879 -0.357 18429 6389 1 12 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.268 -0.166 18429 6390 1 12 . 1 1 54 54 PHE C C 54 176.920 176.920 177.129 -0.209 18429 6391 1 12 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.075 0.462 18429 6392 1 12 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.532 -0.120 18429 6393 1 12 . 1 1 54 54 PHE H H 54 7.990 7.990 8.340 -0.350 18429 6394 1 12 . 1 1 55 55 ARG N N 55 120.870 120.870 120.136 0.734 18429 6395 1 12 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.926 -0.100 18429 6396 1 12 . 1 1 55 55 ARG C C 55 178.383 178.383 178.121 0.262 18429 6397 1 12 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.741 0.219 18429 6398 1 12 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.804 2.311 18429 6399 1 12 . 1 1 55 55 ARG H H 55 8.774 8.774 8.019 0.755 18429 6400 1 12 . 1 1 56 56 ASP N N 56 119.776 119.776 118.478 1.298 18429 6401 1 12 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.399 -0.072 18429 6402 1 12 . 1 1 56 56 ASP C C 56 179.398 179.398 178.118 1.280 18429 6403 1 12 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.815 -0.258 18429 6404 1 12 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.827 -1.010 18429 6405 1 12 . 1 1 56 56 ASP H H 56 8.491 8.491 8.111 0.380 18429 6406 1 12 . 1 1 57 57 GLU N N 57 120.418 120.418 120.068 0.350 18429 6407 1 12 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.053 0.000 18429 6408 1 12 . 1 1 57 57 GLU C C 57 179.708 179.708 178.768 0.940 18429 6409 1 12 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.794 0.100 18429 6410 1 12 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.339 0.037 18429 6411 1 12 . 1 1 57 57 GLU H H 57 7.894 7.894 7.874 0.020 18429 6412 1 12 . 1 1 58 58 MET N N 58 119.674 119.674 118.242 1.432 18429 6413 1 12 . 1 1 58 58 MET HA H 58 4.090 4.090 3.945 0.145 18429 6414 1 12 . 1 1 58 58 MET C C 58 178.137 178.137 178.254 -0.117 18429 6415 1 12 . 1 1 58 58 MET CA C 58 58.568 58.568 59.534 -0.966 18429 6416 1 12 . 1 1 58 58 MET CB C 58 31.846 31.846 32.306 -0.460 18429 6417 1 12 . 1 1 58 58 MET H H 58 8.352 8.352 7.903 0.449 18429 6418 1 12 . 1 1 59 59 GLU N N 59 119.770 119.770 119.766 0.004 18429 6419 1 12 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.931 0.019 18429 6420 1 12 . 1 1 59 59 GLU C C 59 178.939 178.939 178.605 0.334 18429 6421 1 12 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.791 -0.047 18429 6422 1 12 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.358 -0.181 18429 6423 1 12 . 1 1 59 59 GLU H H 59 8.717 8.717 7.961 0.756 18429 6424 1 12 . 1 1 60 60 GLN N N 60 117.895 117.895 119.248 -1.353 18429 6425 1 12 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.024 -0.053 18429 6426 1 12 . 1 1 60 60 GLN C C 60 178.052 178.052 178.643 -0.591 18429 6427 1 12 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.962 -0.707 18429 6428 1 12 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.655 -0.537 18429 6429 1 12 . 1 1 60 60 GLN H H 60 7.613 7.613 7.680 -0.067 18429 6430 1 12 . 1 1 61 61 MET N N 61 118.464 118.464 116.974 1.490 18429 6431 1 12 . 1 1 61 61 MET HA H 61 4.080 4.080 4.410 -0.330 18429 6432 1 12 . 1 1 61 61 MET C C 61 178.545 178.545 178.862 -0.317 18429 6433 1 12 . 1 1 61 61 MET CA C 61 58.972 58.972 58.610 0.362 18429 6434 1 12 . 1 1 61 61 MET CB C 61 32.309 32.309 32.724 -0.415 18429 6435 1 12 . 1 1 61 61 MET H H 61 7.943 7.943 7.845 0.098 18429 6436 1 12 . 1 1 62 62 TYR N N 62 119.118 119.118 121.713 -2.595 18429 6437 1 12 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.293 -0.133 18429 6438 1 12 . 1 1 62 62 TYR C C 62 176.118 176.118 176.902 -0.784 18429 6439 1 12 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.984 -0.733 18429 6440 1 12 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.615 -0.226 18429 6441 1 12 . 1 1 62 62 TYR H H 62 8.313 8.313 8.256 0.057 18429 6442 1 12 . 1 1 63 63 LYS N N 63 117.899 117.899 118.550 -0.651 18429 6443 1 12 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.951 -0.155 18429 6444 1 12 . 1 1 63 63 LYS C C 63 178.470 178.470 177.846 0.624 18429 6445 1 12 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.506 1.296 18429 6446 1 12 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.247 -0.229 18429 6447 1 12 . 1 1 63 63 LYS H H 63 7.806 7.806 7.691 0.115 18429 6448 1 12 . 1 1 64 64 ASP N N 64 116.931 116.931 119.014 -2.083 18429 6449 1 12 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.515 -0.030 18429 6450 1 12 . 1 1 64 64 ASP C C 64 176.460 176.460 176.372 0.088 18429 6451 1 12 . 1 1 64 64 ASP CA C 64 55.640 55.640 56.097 -0.458 18429 6452 1 12 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.333 -0.137 18429 6453 1 12 . 1 1 64 64 ASP H H 64 7.771 7.771 7.786 -0.015 18429 6454 1 12 . 1 1 65 65 ALA N N 65 121.417 121.417 121.525 -0.108 18429 6455 1 12 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.693 -0.101 18429 6456 1 12 . 1 1 65 65 ALA C C 65 180.460 180.460 175.062 5.398 18429 6457 1 12 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.676 0.547 18429 6458 1 12 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.916 -1.641 18429 6459 1 12 . 1 1 65 65 ALA H H 65 7.536 7.536 7.642 -0.106 18429 6460 1 12 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.329 -0.357 18429 6461 1 12 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.005 2.054 18429 6462 1 12 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.033 1.344 18429 6463 1 12 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.620 -0.170 18429 6464 1 12 . 1 1 67 67 ASN CA C 67 56.342 56.342 51.489 4.853 18429 6465 1 12 . 1 1 67 67 ASN CB C 67 40.583 40.583 36.471 4.112 18429 6466 1 12 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.892 0.395 18429 6467 1 12 . 1 1 68 68 ALA C C 68 180.039 180.039 178.667 1.372 18429 6468 1 12 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.866 0.092 18429 6469 1 12 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.055 1.782 18429 6470 1 12 . 1 1 69 69 VAL N N 69 119.699 119.699 120.957 -1.258 18429 6471 1 12 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.810 -0.001 18429 6472 1 12 . 1 1 69 69 VAL C C 69 178.578 178.578 177.129 1.449 18429 6473 1 12 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.557 0.353 18429 6474 1 12 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.427 -0.106 18429 6475 1 12 . 1 1 69 69 VAL H H 69 7.968 7.968 8.168 -0.200 18429 6476 1 12 . 1 1 70 70 MET N N 70 119.158 119.158 118.616 0.542 18429 6477 1 12 . 1 1 70 70 MET HA H 70 4.411 4.411 4.174 0.237 18429 6478 1 12 . 1 1 70 70 MET C C 70 177.858 177.858 177.797 0.061 18429 6479 1 12 . 1 1 70 70 MET CA C 70 56.540 56.540 58.072 -1.532 18429 6480 1 12 . 1 1 70 70 MET CB C 70 31.927 31.927 32.223 -0.296 18429 6481 1 12 . 1 1 70 70 MET H H 70 8.195 8.195 7.741 0.454 18429 6482 1 12 . 1 1 71 71 GLU N N 71 119.109 119.109 119.291 -0.182 18429 6483 1 12 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.627 -0.105 18429 6484 1 12 . 1 1 71 71 GLU C C 71 178.949 178.949 178.609 0.340 18429 6485 1 12 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.761 0.040 18429 6486 1 12 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.322 0.365 18429 6487 1 12 . 1 1 71 71 GLU H H 71 8.122 8.122 7.843 0.279 18429 6488 1 12 . 1 1 72 72 GLN N N 72 118.471 118.471 119.605 -1.134 18429 6489 1 12 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.080 0.042 18429 6490 1 12 . 1 1 72 72 GLN C C 72 178.597 178.597 178.706 -0.109 18429 6491 1 12 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.637 -0.122 18429 6492 1 12 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.152 -0.041 18429 6493 1 12 . 1 1 72 72 GLN H H 72 7.662 7.662 7.670 -0.008 18429 6494 1 12 . 1 1 73 73 LEU N N 73 120.880 120.880 119.830 1.050 18429 6495 1 12 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.069 -0.025 18429 6496 1 12 . 1 1 73 73 LEU C C 73 178.992 178.992 179.306 -0.314 18429 6497 1 12 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.619 0.428 18429 6498 1 12 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.623 -0.246 18429 6499 1 12 . 1 1 73 73 LEU H H 73 8.170 8.170 8.264 -0.094 18429 6500 1 12 . 1 1 74 74 LEU N N 74 119.628 119.628 120.372 -0.744 18429 6501 1 12 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.989 -0.037 18429 6502 1 12 . 1 1 74 74 LEU C C 74 179.088 179.088 178.774 0.314 18429 6503 1 12 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.480 0.294 18429 6504 1 12 . 1 1 74 74 LEU CB C 74 41.067 41.067 40.846 0.222 18429 6505 1 12 . 1 1 74 74 LEU H H 74 8.396 8.396 7.616 0.780 18429 6506 1 12 . 1 1 75 75 GLU N N 75 119.588 119.588 119.860 -0.272 18429 6507 1 12 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.910 0.135 18429 6508 1 12 . 1 1 75 75 GLU C C 75 179.772 179.772 178.610 1.162 18429 6509 1 12 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.856 -0.595 18429 6510 1 12 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.488 -0.621 18429 6511 1 12 . 1 1 75 75 GLU H H 75 7.622 7.622 8.129 -0.507 18429 6512 1 12 . 1 1 76 76 GLU N N 76 118.750 118.750 118.531 0.219 18429 6513 1 12 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.075 0.014 18429 6514 1 12 . 1 1 76 76 GLU C C 76 180.103 180.103 179.374 0.729 18429 6515 1 12 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.139 -0.030 18429 6516 1 12 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.423 -0.058 18429 6517 1 12 . 1 1 76 76 GLU H H 76 8.127 8.127 8.016 0.111 18429 6518 1 12 . 1 1 77 77 ILE N N 77 121.044 121.044 119.401 1.643 18429 6519 1 12 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.793 0.031 18429 6520 1 12 . 1 1 77 77 ILE C C 77 177.219 177.219 177.735 -0.516 18429 6521 1 12 . 1 1 77 77 ILE CA C 77 64.546 64.546 64.812 -0.266 18429 6522 1 12 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.997 -0.850 18429 6523 1 12 . 1 1 77 77 ILE H H 77 8.715 8.715 7.616 1.099 18429 6524 1 12 . 1 1 78 78 GLU N N 78 121.847 121.847 120.706 1.141 18429 6525 1 12 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.908 0.134 18429 6526 1 12 . 1 1 78 78 GLU C C 78 179.644 179.644 178.814 0.830 18429 6527 1 12 . 1 1 78 78 GLU CA C 78 59.486 59.486 60.132 -0.646 18429 6528 1 12 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.513 -0.527 18429 6529 1 12 . 1 1 78 78 GLU H H 78 8.161 8.161 8.105 0.056 18429 6530 1 12 . 1 1 79 79 LYS N N 79 118.842 118.842 118.229 0.613 18429 6531 1 12 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.084 -0.122 18429 6532 1 12 . 1 1 79 79 LYS C C 79 179.729 179.729 179.292 0.437 18429 6533 1 12 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.343 0.399 18429 6534 1 12 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.954 0.476 18429 6535 1 12 . 1 1 79 79 LYS H H 79 7.756 7.756 7.934 -0.178 18429 6536 1 12 . 1 1 80 80 LEU N N 80 120.440 120.440 119.408 1.032 18429 6537 1 12 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.204 -0.151 18429 6538 1 12 . 1 1 80 80 LEU C C 80 178.939 178.939 179.084 -0.145 18429 6539 1 12 . 1 1 80 80 LEU CA C 80 57.955 57.955 56.985 0.970 18429 6540 1 12 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.678 -0.002 18429 6541 1 12 . 1 1 80 80 LEU H H 80 7.805 7.805 7.335 0.470 18429 6542 1 12 . 1 1 81 81 LEU N N 81 119.519 119.519 121.310 -1.791 18429 6543 1 12 . 1 1 81 81 LEU HA H 81 3.955 3.955 4.070 -0.115 18429 6544 1 12 . 1 1 81 81 LEU C C 81 179.366 179.366 178.274 1.092 18429 6545 1 12 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.897 -0.121 18429 6546 1 12 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.572 0.045 18429 6547 1 12 . 1 1 81 81 LEU H H 81 8.423 8.423 8.334 0.089 18429 6548 1 12 . 1 1 82 82 LYS N N 82 119.070 119.070 119.357 -0.287 18429 6549 1 12 . 1 1 82 82 LYS HA H 82 4.131 4.131 3.986 0.145 18429 6550 1 12 . 1 1 82 82 LYS C C 82 179.237 179.237 178.811 0.426 18429 6551 1 12 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.320 -0.448 18429 6552 1 12 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.312 -0.100 18429 6553 1 12 . 1 1 82 82 LYS H H 82 7.804 7.804 7.995 -0.191 18429 6554 1 12 . 1 1 83 83 LYS N N 83 119.647 119.647 118.068 1.579 18429 6555 1 12 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.124 0.117 18429 6556 1 12 . 1 1 83 83 LYS C C 83 178.234 178.234 178.335 -0.101 18429 6557 1 12 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.373 -1.046 18429 6558 1 12 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.381 -0.192 18429 6559 1 12 . 1 1 83 83 LYS H H 83 7.737 7.737 7.561 0.176 18429 6560 1 12 . 1 1 84 84 ALA N N 84 122.121 122.121 119.314 2.807 18429 6561 1 12 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.296 -0.226 18429 6562 1 12 . 1 1 84 84 ALA C C 84 179.003 179.003 177.801 1.202 18429 6563 1 12 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.700 1.222 18429 6564 1 12 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.890 -1.715 18429 6565 1 12 . 1 1 84 84 ALA H H 84 8.259 8.259 7.851 0.408 18429 6566 1 12 . 1 1 85 85 GLY N N 85 105.518 105.518 108.262 -2.744 18429 6567 1 12 . 1 1 85 85 GLY C C 85 174.759 174.759 174.482 0.277 18429 6568 1 12 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.452 1.285 18429 6569 1 12 . 1 1 85 85 GLY H H 85 8.191 8.191 7.902 0.289 18429 6570 1 12 . 1 1 86 86 SER N N 86 114.680 114.680 123.027 -8.347 18429 6571 1 12 . 1 1 86 86 SER HA H 86 4.512 4.512 4.496 0.016 18429 6572 1 12 . 1 1 86 86 SER C C 86 174.452 174.452 174.900 -0.448 18429 6573 1 12 . 1 1 86 86 SER CA C 86 58.641 58.641 58.987 -0.346 18429 6574 1 12 . 1 1 86 86 SER CB C 86 63.751 63.751 63.745 0.006 18429 6575 1 12 . 1 1 86 86 SER H H 86 7.884 7.884 8.628 -0.744 18429 6576 1 12 . 1 1 87 87 LEU N N 87 122.300 122.300 125.149 -2.849 18429 6577 1 12 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.064 0.268 18429 6578 1 12 . 1 1 87 87 LEU C C 87 176.845 176.845 174.983 1.862 18429 6579 1 12 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.345 -0.353 18429 6580 1 12 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.471 0.453 18429 6581 1 12 . 1 1 87 87 LEU H H 87 7.806 7.806 8.837 -1.031 18429 6582 1 12 . 1 1 88 88 VAL N N 88 120.869 120.869 114.848 6.021 18429 6583 1 12 . 1 1 88 88 VAL HA H 88 4.387 4.387 3.854 0.533 18429 6584 1 12 . 1 1 88 88 VAL C C 88 174.367 174.367 174.874 -0.507 18429 6585 1 12 . 1 1 88 88 VAL CA C 88 59.756 59.756 62.755 -2.999 18429 6586 1 12 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.006 1.372 18429 6587 1 12 . 1 1 88 88 VAL H H 88 7.849 7.849 7.715 0.134 18429 6588 1 12 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.296 0.116 18429 6589 1 12 . 1 1 89 89 PRO C C 89 176.898 176.898 176.926 -0.028 18429 6590 1 12 . 1 1 89 89 PRO CA C 89 62.929 62.929 64.616 -1.687 18429 6591 1 12 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.250 -0.324 18429 6592 1 12 . 1 1 90 90 ARG N N 90 121.893 121.893 118.386 3.507 18429 6593 1 12 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.474 -0.183 18429 6594 1 12 . 1 1 90 90 ARG C C 90 177.081 177.081 176.307 0.774 18429 6595 1 12 . 1 1 90 90 ARG CA C 90 56.325 56.325 55.808 0.517 18429 6596 1 12 . 1 1 90 90 ARG CB C 90 30.554 30.554 31.597 -1.043 18429 6597 1 12 . 1 1 90 90 ARG H H 90 8.528 8.528 7.772 0.756 18429 6598 1 12 . 1 1 91 91 GLY N N 91 109.932 109.932 109.034 0.898 18429 6599 1 12 . 1 1 91 91 GLY C C 91 174.324 174.324 174.705 -0.381 18429 6600 1 12 . 1 1 91 91 GLY CA C 91 45.293 45.293 45.233 0.060 18429 6601 1 12 . 1 1 91 91 GLY H H 91 8.551 8.551 8.890 -0.339 18429 6602 1 12 . 1 1 92 92 SER N N 92 115.612 115.612 114.495 1.117 18429 6603 1 12 . 1 1 92 92 SER HA H 92 4.407 4.407 4.450 -0.043 18429 6604 1 12 . 1 1 92 92 SER C C 92 174.463 174.463 174.428 0.035 18429 6605 1 12 . 1 1 92 92 SER CA C 92 58.310 58.310 57.949 0.361 18429 6606 1 12 . 1 1 92 92 SER CB C 92 63.616 63.616 64.163 -0.547 18429 6607 1 12 . 1 1 92 92 SER H H 92 8.183 8.183 8.120 0.063 18429 6608 1 12 . 1 1 93 93 TYR N N 93 122.140 122.140 124.337 -2.197 18429 6609 1 12 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.700 -0.194 18429 6610 1 12 . 1 1 93 93 TYR C C 93 175.659 175.659 174.164 1.495 18429 6611 1 12 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.803 0.302 18429 6612 1 12 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.539 -0.248 18429 6613 1 12 . 1 1 93 93 TYR H H 93 8.206 8.206 8.136 0.070 18429 6614 1 12 . 1 1 94 94 LEU N N 94 123.025 123.025 128.779 -5.754 18429 6615 1 12 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.532 -0.333 18429 6616 1 12 . 1 1 94 94 LEU C C 94 177.037 177.037 176.438 0.599 18429 6617 1 12 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.439 0.506 18429 6618 1 12 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.862 -0.696 18429 6619 1 12 . 1 1 94 94 LEU H H 94 8.007 8.007 8.406 -0.399 18429 6620 1 12 . 1 1 95 95 GLU N N 95 120.848 120.848 127.506 -6.658 18429 6621 1 12 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.395 -0.279 18429 6622 1 12 . 1 1 95 95 GLU C C 95 176.268 176.268 175.642 0.626 18429 6623 1 12 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.764 -0.051 18429 6624 1 12 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.853 0.193 18429 6625 1 12 . 1 1 95 95 GLU H H 95 8.141 8.141 8.845 -0.704 18429 6626 1 12 . 1 1 96 96 HIS N N 96 119.288 119.288 125.943 -6.655 18429 6627 1 12 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.889 -0.319 18429 6628 1 12 . 1 1 96 96 HIS C C 96 174.100 174.100 173.795 0.305 18429 6629 1 12 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.642 -0.802 18429 6630 1 12 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.185 0.219 18429 6631 1 12 . 1 1 96 96 HIS H H 96 8.144 8.144 8.644 -0.500 18429 6632 1 12 . 1 1 97 97 HIS N N 97 125.622 125.622 124.031 1.591 18429 6633 1 12 . 1 1 97 97 HIS C C 97 179.480 179.480 173.517 5.963 18429 6634 1 12 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.115 1.332 18429 6635 1 12 . 1 1 97 97 HIS CB C 97 30.754 30.754 30.942 -0.188 18429 6636 1 12 . 1 1 97 97 HIS H H 97 8.017 8.017 8.437 -0.420 18429 6637 1 13 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.352 -0.036 18429 6638 1 13 . 1 1 2 2 GLN C C 2 177.028 177.028 176.758 0.270 18429 6639 1 13 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.031 0.769 18429 6640 1 13 . 1 1 2 2 GLN CB C 2 28.884 28.884 30.346 -1.462 18429 6641 1 13 . 1 1 3 3 GLU N N 3 123.654 123.654 125.965 -2.311 18429 6642 1 13 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.935 0.142 18429 6643 1 13 . 1 1 3 3 GLU C C 3 177.945 177.945 178.402 -0.457 18429 6644 1 13 . 1 1 3 3 GLU CA C 3 59.110 59.110 59.777 -0.667 18429 6645 1 13 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.743 -0.400 18429 6646 1 13 . 1 1 3 3 GLU H H 3 8.995 8.995 9.035 -0.040 18429 6647 1 13 . 1 1 4 4 GLU N N 4 119.237 119.237 118.768 0.469 18429 6648 1 13 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.064 0.005 18429 6649 1 13 . 1 1 4 4 GLU C C 4 178.815 178.815 178.964 -0.149 18429 6650 1 13 . 1 1 4 4 GLU CA C 4 59.152 59.152 59.515 -0.363 18429 6651 1 13 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.019 0.199 18429 6652 1 13 . 1 1 4 4 GLU H H 4 8.837 8.837 8.618 0.219 18429 6653 1 13 . 1 1 5 5 ARG N N 5 120.052 120.052 118.964 1.088 18429 6654 1 13 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.109 -0.158 18429 6655 1 13 . 1 1 5 5 ARG C C 5 177.324 177.324 178.874 -1.550 18429 6656 1 13 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.588 0.653 18429 6657 1 13 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.750 0.231 18429 6658 1 13 . 1 1 5 5 ARG H H 5 7.884 7.884 8.173 -0.289 18429 6659 1 13 . 1 1 6 6 LYS N N 6 119.327 119.327 118.862 0.465 18429 6660 1 13 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.107 -0.127 18429 6661 1 13 . 1 1 6 6 LYS C C 6 178.939 178.939 178.823 0.116 18429 6662 1 13 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.354 0.978 18429 6663 1 13 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.914 0.240 18429 6664 1 13 . 1 1 6 6 LYS H H 6 7.998 7.998 7.794 0.204 18429 6665 1 13 . 1 1 7 7 LYS N N 7 117.908 117.908 119.459 -1.551 18429 6666 1 13 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.186 -0.090 18429 6667 1 13 . 1 1 7 7 LYS C C 7 179.332 179.332 179.011 0.321 18429 6668 1 13 . 1 1 7 7 LYS CA C 7 58.767 58.767 57.254 1.513 18429 6669 1 13 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.738 0.559 18429 6670 1 13 . 1 1 7 7 LYS H H 7 7.917 7.917 7.695 0.222 18429 6671 1 13 . 1 1 8 8 LEU N N 8 120.724 120.724 120.105 0.619 18429 6672 1 13 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.107 -0.058 18429 6673 1 13 . 1 1 8 8 LEU C C 8 178.490 178.490 178.770 -0.280 18429 6674 1 13 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.458 0.231 18429 6675 1 13 . 1 1 8 8 LEU CB C 8 41.605 41.605 40.976 0.629 18429 6676 1 13 . 1 1 8 8 LEU H H 8 7.686 7.686 7.971 -0.285 18429 6677 1 13 . 1 1 9 9 LEU N N 9 118.886 118.886 118.320 0.566 18429 6678 1 13 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.943 -0.005 18429 6679 1 13 . 1 1 9 9 LEU C C 9 178.981 178.981 179.067 -0.086 18429 6680 1 13 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.765 0.193 18429 6681 1 13 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.251 -0.409 18429 6682 1 13 . 1 1 9 9 LEU H H 9 8.158 8.158 7.425 0.733 18429 6683 1 13 . 1 1 10 10 GLU N N 10 119.000 119.000 119.198 -0.198 18429 6684 1 13 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.332 -0.280 18429 6685 1 13 . 1 1 10 10 GLU C C 10 179.601 179.601 178.874 0.727 18429 6686 1 13 . 1 1 10 10 GLU CA C 10 59.278 59.278 58.625 0.653 18429 6687 1 13 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.327 -0.041 18429 6688 1 13 . 1 1 10 10 GLU H H 10 8.069 8.069 7.720 0.349 18429 6689 1 13 . 1 1 11 11 LYS N N 11 119.446 119.446 120.908 -1.462 18429 6690 1 13 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.076 0.007 18429 6691 1 13 . 1 1 11 11 LYS C C 11 178.971 178.971 178.722 0.249 18429 6692 1 13 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.783 -0.011 18429 6693 1 13 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.961 0.035 18429 6694 1 13 . 1 1 11 11 LYS H H 11 7.676 7.676 7.607 0.069 18429 6695 1 13 . 1 1 12 12 LEU N N 12 120.017 120.017 119.632 0.385 18429 6696 1 13 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.884 0.000 18429 6697 1 13 . 1 1 12 12 LEU C C 12 177.977 177.977 178.811 -0.834 18429 6698 1 13 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.220 -0.495 18429 6699 1 13 . 1 1 12 12 LEU CB C 12 41.577 41.577 40.989 0.588 18429 6700 1 13 . 1 1 12 12 LEU H H 12 8.378 8.378 7.679 0.699 18429 6701 1 13 . 1 1 13 13 GLU N N 13 117.914 117.914 117.262 0.652 18429 6702 1 13 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.920 -0.224 18429 6703 1 13 . 1 1 13 13 GLU C C 13 177.934 177.934 179.333 -1.399 18429 6704 1 13 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.184 0.932 18429 6705 1 13 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.146 0.252 18429 6706 1 13 . 1 1 13 13 GLU H H 13 8.458 8.458 7.693 0.765 18429 6707 1 13 . 1 1 14 14 LYS N N 14 117.629 117.629 119.497 -1.868 18429 6708 1 13 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.112 0.023 18429 6709 1 13 . 1 1 14 14 LYS C C 14 179.227 179.227 178.544 0.683 18429 6710 1 13 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.583 0.283 18429 6711 1 13 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.645 -0.519 18429 6712 1 13 . 1 1 14 14 LYS H H 14 7.365 7.365 7.813 -0.448 18429 6713 1 13 . 1 1 15 15 ILE N N 15 119.583 119.583 120.303 -0.720 18429 6714 1 13 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.749 0.028 18429 6715 1 13 . 1 1 15 15 ILE C C 15 178.009 178.009 178.363 -0.354 18429 6716 1 13 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.036 -0.147 18429 6717 1 13 . 1 1 15 15 ILE CB C 15 38.200 38.200 38.189 0.011 18429 6718 1 13 . 1 1 15 15 ILE H H 15 7.726 7.726 7.805 -0.079 18429 6719 1 13 . 1 1 16 16 LEU N N 16 118.601 118.601 118.702 -0.101 18429 6720 1 13 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.906 -0.053 18429 6721 1 13 . 1 1 16 16 LEU C C 16 179.729 179.729 178.692 1.037 18429 6722 1 13 . 1 1 16 16 LEU CA C 16 57.842 57.842 57.899 -0.057 18429 6723 1 13 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.550 0.087 18429 6724 1 13 . 1 1 16 16 LEU H H 16 8.372 8.372 8.164 0.208 18429 6725 1 13 . 1 1 17 17 ASP N N 17 120.008 120.008 118.462 1.546 18429 6726 1 13 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.326 0.010 18429 6727 1 13 . 1 1 17 17 ASP C C 17 178.148 178.148 178.230 -0.082 18429 6728 1 13 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.386 -0.097 18429 6729 1 13 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.906 -0.638 18429 6730 1 13 . 1 1 17 17 ASP H H 17 8.192 8.192 7.852 0.340 18429 6731 1 13 . 1 1 18 18 GLU N N 18 119.362 119.362 118.966 0.396 18429 6732 1 13 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.112 0.039 18429 6733 1 13 . 1 1 18 18 GLU C C 18 179.653 179.653 179.183 0.470 18429 6734 1 13 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.990 0.265 18429 6735 1 13 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.321 -0.121 18429 6736 1 13 . 1 1 18 18 GLU H H 18 7.860 7.860 7.654 0.206 18429 6737 1 13 . 1 1 19 19 VAL N N 19 118.483 118.483 118.268 0.215 18429 6738 1 13 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.878 -0.052 18429 6739 1 13 . 1 1 19 19 VAL C C 19 177.496 177.496 177.806 -0.310 18429 6740 1 13 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.802 -0.905 18429 6741 1 13 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.173 0.636 18429 6742 1 13 . 1 1 19 19 VAL H H 19 8.416 8.416 7.671 0.745 18429 6743 1 13 . 1 1 20 20 THR N N 20 112.904 112.904 112.511 0.393 18429 6744 1 13 . 1 1 20 20 THR HA H 20 3.856 3.856 4.057 -0.201 18429 6745 1 13 . 1 1 20 20 THR C C 20 175.894 175.894 176.783 -0.889 18429 6746 1 13 . 1 1 20 20 THR CA C 20 65.696 65.696 65.646 0.050 18429 6747 1 13 . 1 1 20 20 THR CB C 20 68.587 68.587 68.708 -0.121 18429 6748 1 13 . 1 1 20 20 THR H H 20 7.985 7.985 7.827 0.158 18429 6749 1 13 . 1 1 21 21 ASP N N 21 120.510 120.510 121.630 -1.120 18429 6750 1 13 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.577 -0.134 18429 6751 1 13 . 1 1 21 21 ASP C C 21 177.358 177.358 177.952 -0.594 18429 6752 1 13 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.098 0.270 18429 6753 1 13 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.928 -0.055 18429 6754 1 13 . 1 1 21 21 ASP H H 21 7.935 7.935 7.709 0.226 18429 6755 1 13 . 1 1 22 22 GLY N N 22 106.730 106.730 107.438 -0.708 18429 6756 1 13 . 1 1 22 22 GLY C C 22 174.004 174.004 173.714 0.290 18429 6757 1 13 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.536 0.291 18429 6758 1 13 . 1 1 22 22 GLY H H 22 7.939 7.939 7.845 0.094 18429 6759 1 13 . 1 1 23 23 ALA N N 23 124.286 124.286 123.727 0.559 18429 6760 1 13 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.494 0.014 18429 6761 1 13 . 1 1 23 23 ALA C C 23 174.921 174.921 176.838 -1.917 18429 6762 1 13 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.364 -0.013 18429 6763 1 13 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.314 -0.810 18429 6764 1 13 . 1 1 23 23 ALA H H 23 7.531 7.531 7.169 0.362 18429 6765 1 13 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.172 0.391 18429 6766 1 13 . 1 1 24 24 PRO C C 24 177.571 177.571 176.689 0.882 18429 6767 1 13 . 1 1 24 24 PRO CA C 24 62.490 62.490 65.548 -3.058 18429 6768 1 13 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.202 -0.104 18429 6769 1 13 . 1 1 25 25 ASP N N 25 122.828 122.828 113.106 9.722 18429 6770 1 13 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.552 -0.297 18429 6771 1 13 . 1 1 25 25 ASP C C 25 178.298 178.298 176.079 2.219 18429 6772 1 13 . 1 1 25 25 ASP CA C 25 58.063 58.063 54.730 3.333 18429 6773 1 13 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.378 0.139 18429 6774 1 13 . 1 1 25 25 ASP H H 25 8.779 8.779 8.043 0.736 18429 6775 1 13 . 1 1 26 26 GLU N N 26 117.055 117.055 120.695 -3.640 18429 6776 1 13 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.416 -0.281 18429 6777 1 13 . 1 1 26 26 GLU C C 26 177.454 177.454 175.378 2.076 18429 6778 1 13 . 1 1 26 26 GLU CA C 26 59.224 59.224 56.063 3.161 18429 6779 1 13 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.482 -0.928 18429 6780 1 13 . 1 1 26 26 GLU H H 26 9.324 9.324 8.629 0.695 18429 6781 1 13 . 1 1 27 27 ALA N N 27 120.789 120.789 120.303 0.486 18429 6782 1 13 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.571 -0.160 18429 6783 1 13 . 1 1 27 27 ALA C C 27 178.065 178.065 178.162 -0.097 18429 6784 1 13 . 1 1 27 27 ALA CA C 27 52.879 52.879 52.496 0.383 18429 6785 1 13 . 1 1 27 27 ALA CB C 27 19.896 19.896 19.718 0.178 18429 6786 1 13 . 1 1 27 27 ALA H H 27 7.474 7.474 7.893 -0.419 18429 6787 1 13 . 1 1 28 28 ARG N N 28 118.872 118.872 120.547 -1.675 18429 6788 1 13 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.979 -0.304 18429 6789 1 13 . 1 1 28 28 ARG C C 28 177.550 177.550 177.439 0.111 18429 6790 1 13 . 1 1 28 28 ARG CA C 28 60.602 60.602 60.145 0.457 18429 6791 1 13 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.205 -0.661 18429 6792 1 13 . 1 1 28 28 ARG H H 28 7.803 7.803 7.586 0.217 18429 6793 1 13 . 1 1 29 29 GLU N N 29 117.512 117.512 118.628 -1.116 18429 6794 1 13 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.065 -0.023 18429 6795 1 13 . 1 1 29 29 GLU C C 29 179.122 179.122 178.964 0.158 18429 6796 1 13 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.202 0.405 18429 6797 1 13 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.099 1.142 18429 6798 1 13 . 1 1 29 29 GLU H H 29 8.490 8.490 8.864 -0.374 18429 6799 1 13 . 1 1 30 30 ARG N N 30 119.240 119.240 119.741 -0.501 18429 6800 1 13 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.151 -0.017 18429 6801 1 13 . 1 1 30 30 ARG C C 30 179.248 179.248 179.034 0.214 18429 6802 1 13 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.354 0.475 18429 6803 1 13 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.364 0.501 18429 6804 1 13 . 1 1 30 30 ARG H H 30 7.789 7.789 7.675 0.114 18429 6805 1 13 . 1 1 31 31 ILE N N 31 120.920 120.920 120.286 0.634 18429 6806 1 13 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.881 -0.143 18429 6807 1 13 . 1 1 31 31 ILE C C 31 177.089 177.089 178.318 -1.229 18429 6808 1 13 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.203 -1.385 18429 6809 1 13 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.703 -0.618 18429 6810 1 13 . 1 1 31 31 ILE H H 31 8.256 8.256 7.708 0.548 18429 6811 1 13 . 1 1 32 32 GLU N N 32 120.281 120.281 120.112 0.169 18429 6812 1 13 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.941 -0.005 18429 6813 1 13 . 1 1 32 32 GLU C C 32 179.429 179.429 178.751 0.678 18429 6814 1 13 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.791 -0.233 18429 6815 1 13 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.326 0.077 18429 6816 1 13 . 1 1 32 32 GLU H H 32 8.697 8.697 8.584 0.113 18429 6817 1 13 . 1 1 33 33 LYS N N 33 119.737 119.737 120.256 -0.519 18429 6818 1 13 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.094 -0.036 18429 6819 1 13 . 1 1 33 33 LYS C C 33 178.159 178.159 179.154 -0.995 18429 6820 1 13 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.219 0.192 18429 6821 1 13 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.604 -0.554 18429 6822 1 13 . 1 1 33 33 LYS H H 33 7.764 7.764 7.711 0.053 18429 6823 1 13 . 1 1 34 34 LEU N N 34 120.133 120.133 120.183 -0.050 18429 6824 1 13 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.119 0.113 18429 6825 1 13 . 1 1 34 34 LEU C C 34 178.629 178.629 177.940 0.689 18429 6826 1 13 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.556 -0.049 18429 6827 1 13 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.856 -0.059 18429 6828 1 13 . 1 1 34 34 LEU H H 34 7.790 7.790 7.979 -0.189 18429 6829 1 13 . 1 1 35 35 ALA N N 35 119.492 119.492 121.411 -1.919 18429 6830 1 13 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.854 -0.086 18429 6831 1 13 . 1 1 35 35 ALA C C 35 179.297 179.297 179.385 -0.088 18429 6832 1 13 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.254 -0.231 18429 6833 1 13 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.002 0.189 18429 6834 1 13 . 1 1 35 35 ALA H H 35 8.634 8.634 8.213 0.421 18429 6835 1 13 . 1 1 36 36 LYS N N 36 118.470 118.470 118.857 -0.387 18429 6836 1 13 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.949 -0.018 18429 6837 1 13 . 1 1 36 36 LYS C C 36 178.223 178.223 178.301 -0.078 18429 6838 1 13 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.596 -0.401 18429 6839 1 13 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.281 -0.226 18429 6840 1 13 . 1 1 36 36 LYS H H 36 7.704 7.704 7.809 -0.105 18429 6841 1 13 . 1 1 37 37 ASP N N 37 120.075 120.075 119.722 0.353 18429 6842 1 13 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.672 -0.269 18429 6843 1 13 . 1 1 37 37 ASP C C 37 179.334 179.334 178.801 0.533 18429 6844 1 13 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.283 -0.102 18429 6845 1 13 . 1 1 37 37 ASP CB C 37 39.977 39.977 41.075 -1.098 18429 6846 1 13 . 1 1 37 37 ASP H H 37 8.203 8.203 7.816 0.387 18429 6847 1 13 . 1 1 38 38 VAL N N 38 118.202 118.202 119.477 -1.275 18429 6848 1 13 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.622 0.001 18429 6849 1 13 . 1 1 38 38 VAL C C 38 177.017 177.017 178.023 -1.006 18429 6850 1 13 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.110 -0.442 18429 6851 1 13 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.997 0.240 18429 6852 1 13 . 1 1 38 38 VAL H H 38 8.215 8.215 8.164 0.051 18429 6853 1 13 . 1 1 39 39 LYS N N 39 119.236 119.236 119.415 -0.179 18429 6854 1 13 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.931 -0.121 18429 6855 1 13 . 1 1 39 39 LYS C C 39 178.575 178.575 178.986 -0.411 18429 6856 1 13 . 1 1 39 39 LYS CA C 39 59.713 59.713 60.059 -0.346 18429 6857 1 13 . 1 1 39 39 LYS CB C 39 32.091 32.091 32.041 0.050 18429 6858 1 13 . 1 1 39 39 LYS H H 39 7.780 7.780 7.576 0.204 18429 6859 1 13 . 1 1 40 40 ASP N N 40 118.227 118.227 119.049 -0.822 18429 6860 1 13 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.468 -0.016 18429 6861 1 13 . 1 1 40 40 ASP C C 40 178.137 178.137 178.171 -0.034 18429 6862 1 13 . 1 1 40 40 ASP CA C 40 56.423 56.423 56.805 -0.382 18429 6863 1 13 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.562 -0.152 18429 6864 1 13 . 1 1 40 40 ASP H H 40 8.273 8.273 7.729 0.544 18429 6865 1 13 . 1 1 41 41 GLU N N 41 119.896 119.896 118.662 1.234 18429 6866 1 13 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.219 0.012 18429 6867 1 13 . 1 1 41 41 GLU C C 41 177.849 177.849 179.207 -1.358 18429 6868 1 13 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.888 -0.503 18429 6869 1 13 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.632 0.099 18429 6870 1 13 . 1 1 41 41 GLU H H 41 7.875 7.875 7.734 0.141 18429 6871 1 13 . 1 1 42 42 LEU N N 42 119.906 119.906 119.502 0.404 18429 6872 1 13 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.070 0.054 18429 6873 1 13 . 1 1 42 42 LEU C C 42 178.276 178.276 178.019 0.257 18429 6874 1 13 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.550 -0.837 18429 6875 1 13 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.823 0.325 18429 6876 1 13 . 1 1 42 42 LEU H H 42 7.952 7.952 7.997 -0.045 18429 6877 1 13 . 1 1 43 43 GLU N N 43 117.735 117.735 118.836 -1.101 18429 6878 1 13 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.263 -0.128 18429 6879 1 13 . 1 1 43 43 GLU C C 43 177.582 177.582 175.549 2.033 18429 6880 1 13 . 1 1 43 43 GLU CA C 43 58.804 58.804 56.220 2.584 18429 6881 1 13 . 1 1 43 43 GLU CB C 43 29.571 29.571 27.610 1.960 18429 6882 1 13 . 1 1 43 43 GLU H H 43 8.020 8.020 7.640 0.380 18429 6883 1 13 . 1 1 44 44 GLU N N 44 116.308 116.308 119.274 -2.966 18429 6884 1 13 . 1 1 44 44 GLU HA H 44 4.416 4.416 3.976 0.440 18429 6885 1 13 . 1 1 44 44 GLU C C 44 177.133 177.133 175.754 1.379 18429 6886 1 13 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.840 -0.392 18429 6887 1 13 . 1 1 44 44 GLU CB C 44 31.114 31.114 28.865 2.249 18429 6888 1 13 . 1 1 44 44 GLU H H 44 8.128 8.128 8.094 0.034 18429 6889 1 13 . 1 1 45 45 GLY N N 45 109.450 109.450 107.223 2.227 18429 6890 1 13 . 1 1 45 45 GLY C C 45 173.685 173.685 173.297 0.388 18429 6891 1 13 . 1 1 45 45 GLY CA C 45 45.374 45.374 45.439 -0.065 18429 6892 1 13 . 1 1 45 45 GLY H H 45 8.156 8.156 7.656 0.500 18429 6893 1 13 . 1 1 46 46 ASP N N 46 120.995 120.995 119.955 1.040 18429 6894 1 13 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.642 0.046 18429 6895 1 13 . 1 1 46 46 ASP C C 46 176.375 176.375 175.237 1.138 18429 6896 1 13 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.244 -0.619 18429 6897 1 13 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.751 -0.544 18429 6898 1 13 . 1 1 46 46 ASP H H 46 8.467 8.467 8.074 0.393 18429 6899 1 13 . 1 1 47 47 ALA N N 47 124.626 124.626 127.680 -3.054 18429 6900 1 13 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.027 0.096 18429 6901 1 13 . 1 1 47 47 ALA C C 47 178.084 178.084 178.113 -0.029 18429 6902 1 13 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.734 -0.793 18429 6903 1 13 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.108 -0.124 18429 6904 1 13 . 1 1 47 47 ALA H H 47 8.483 8.483 8.569 -0.086 18429 6905 1 13 . 1 1 48 48 LYS N N 48 118.214 118.214 119.164 -0.950 18429 6906 1 13 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.930 -0.129 18429 6907 1 13 . 1 1 48 48 LYS C C 48 177.582 177.582 178.303 -0.721 18429 6908 1 13 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.671 0.441 18429 6909 1 13 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.108 0.052 18429 6910 1 13 . 1 1 48 48 LYS H H 48 8.349 8.349 7.986 0.363 18429 6911 1 13 . 1 1 49 49 ASN N N 49 116.387 116.387 117.986 -1.599 18429 6912 1 13 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.661 -0.153 18429 6913 1 13 . 1 1 49 49 ASN C C 49 177.753 177.753 177.788 -0.035 18429 6914 1 13 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.110 -0.129 18429 6915 1 13 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.429 -0.064 18429 6916 1 13 . 1 1 49 49 ASN H H 49 8.184 8.184 8.081 0.103 18429 6917 1 13 . 1 1 50 50 MET N N 50 118.627 118.627 117.977 0.650 18429 6918 1 13 . 1 1 50 50 MET HA H 50 4.335 4.335 4.264 0.071 18429 6919 1 13 . 1 1 50 50 MET C C 50 178.683 178.683 178.798 -0.115 18429 6920 1 13 . 1 1 50 50 MET CA C 50 57.203 57.203 57.752 -0.548 18429 6921 1 13 . 1 1 50 50 MET CB C 50 32.289 32.289 31.926 0.363 18429 6922 1 13 . 1 1 50 50 MET H H 50 8.189 8.189 7.514 0.674 18429 6923 1 13 . 1 1 51 51 ILE N N 51 120.778 120.778 120.636 0.142 18429 6924 1 13 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.662 0.031 18429 6925 1 13 . 1 1 51 51 ILE C C 51 177.667 177.667 177.964 -0.297 18429 6926 1 13 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.381 -0.017 18429 6927 1 13 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.317 -0.033 18429 6928 1 13 . 1 1 51 51 ILE H H 51 8.475 8.475 7.851 0.624 18429 6929 1 13 . 1 1 52 52 GLU N N 52 120.715 120.715 119.954 0.761 18429 6930 1 13 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.915 -0.076 18429 6931 1 13 . 1 1 52 52 GLU C C 52 178.201 178.201 179.320 -1.119 18429 6932 1 13 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.879 0.248 18429 6933 1 13 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.427 -0.181 18429 6934 1 13 . 1 1 52 52 GLU H H 52 8.372 8.372 8.121 0.251 18429 6935 1 13 . 1 1 53 53 LYS N N 53 118.426 118.426 117.439 0.987 18429 6936 1 13 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.216 -0.086 18429 6937 1 13 . 1 1 53 53 LYS C C 53 179.163 179.163 178.502 0.661 18429 6938 1 13 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.069 2.018 18429 6939 1 13 . 1 1 53 53 LYS CB C 53 32.150 32.150 31.804 0.346 18429 6940 1 13 . 1 1 53 53 LYS H H 53 7.766 7.766 8.093 -0.327 18429 6941 1 13 . 1 1 54 54 PHE N N 54 120.522 120.522 121.939 -1.417 18429 6942 1 13 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.216 -0.114 18429 6943 1 13 . 1 1 54 54 PHE C C 54 176.920 176.920 176.689 0.231 18429 6944 1 13 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.401 0.136 18429 6945 1 13 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.062 0.350 18429 6946 1 13 . 1 1 54 54 PHE H H 54 7.990 7.990 7.932 0.058 18429 6947 1 13 . 1 1 55 55 ARG N N 55 120.870 120.870 119.772 1.098 18429 6948 1 13 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.886 -0.060 18429 6949 1 13 . 1 1 55 55 ARG C C 55 178.383 178.383 178.123 0.260 18429 6950 1 13 . 1 1 55 55 ARG CA C 55 59.960 59.960 58.856 1.104 18429 6951 1 13 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.375 2.740 18429 6952 1 13 . 1 1 55 55 ARG H H 55 8.774 8.774 7.885 0.889 18429 6953 1 13 . 1 1 56 56 ASP N N 56 119.776 119.776 119.196 0.580 18429 6954 1 13 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.287 0.040 18429 6955 1 13 . 1 1 56 56 ASP C C 56 179.398 179.398 178.610 0.788 18429 6956 1 13 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.549 0.007 18429 6957 1 13 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.109 -0.292 18429 6958 1 13 . 1 1 56 56 ASP H H 56 8.491 8.491 7.763 0.728 18429 6959 1 13 . 1 1 57 57 GLU N N 57 120.418 120.418 119.259 1.159 18429 6960 1 13 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.999 0.054 18429 6961 1 13 . 1 1 57 57 GLU C C 57 179.708 179.708 178.948 0.760 18429 6962 1 13 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.731 0.163 18429 6963 1 13 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.271 0.105 18429 6964 1 13 . 1 1 57 57 GLU H H 57 7.894 7.894 7.855 0.039 18429 6965 1 13 . 1 1 58 58 MET N N 58 119.674 119.674 117.723 1.951 18429 6966 1 13 . 1 1 58 58 MET HA H 58 4.090 4.090 4.022 0.068 18429 6967 1 13 . 1 1 58 58 MET C C 58 178.137 178.137 178.490 -0.353 18429 6968 1 13 . 1 1 58 58 MET CA C 58 58.568 58.568 57.002 1.566 18429 6969 1 13 . 1 1 58 58 MET CB C 58 31.846 31.846 31.295 0.551 18429 6970 1 13 . 1 1 58 58 MET H H 58 8.352 8.352 8.063 0.289 18429 6971 1 13 . 1 1 59 59 GLU N N 59 119.770 119.770 120.135 -0.365 18429 6972 1 13 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.944 0.006 18429 6973 1 13 . 1 1 59 59 GLU C C 59 178.939 178.939 178.864 0.075 18429 6974 1 13 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.673 0.071 18429 6975 1 13 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.370 -0.194 18429 6976 1 13 . 1 1 59 59 GLU H H 59 8.717 8.717 8.031 0.686 18429 6977 1 13 . 1 1 60 60 GLN N N 60 117.895 117.895 118.679 -0.784 18429 6978 1 13 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.015 -0.044 18429 6979 1 13 . 1 1 60 60 GLN C C 60 178.052 178.052 178.969 -0.917 18429 6980 1 13 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.761 -0.507 18429 6981 1 13 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.839 -0.721 18429 6982 1 13 . 1 1 60 60 GLN H H 60 7.613 7.613 7.573 0.040 18429 6983 1 13 . 1 1 61 61 MET N N 61 118.464 118.464 117.954 0.510 18429 6984 1 13 . 1 1 61 61 MET HA H 61 4.080 4.080 4.129 -0.049 18429 6985 1 13 . 1 1 61 61 MET C C 61 178.545 178.545 178.515 0.030 18429 6986 1 13 . 1 1 61 61 MET CA C 61 58.972 58.972 58.883 0.089 18429 6987 1 13 . 1 1 61 61 MET CB C 61 32.309 32.309 32.766 -0.457 18429 6988 1 13 . 1 1 61 61 MET H H 61 7.943 7.943 7.967 -0.024 18429 6989 1 13 . 1 1 62 62 TYR N N 62 119.118 119.118 120.530 -1.412 18429 6990 1 13 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.217 -0.057 18429 6991 1 13 . 1 1 62 62 TYR C C 62 176.118 176.118 176.568 -0.450 18429 6992 1 13 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.877 -0.626 18429 6993 1 13 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.495 -0.106 18429 6994 1 13 . 1 1 62 62 TYR H H 62 8.313 8.313 8.030 0.283 18429 6995 1 13 . 1 1 63 63 LYS N N 63 117.899 117.899 117.979 -0.080 18429 6996 1 13 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.782 0.014 18429 6997 1 13 . 1 1 63 63 LYS C C 63 178.470 178.470 176.965 1.505 18429 6998 1 13 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.917 0.885 18429 6999 1 13 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.394 -0.376 18429 7000 1 13 . 1 1 63 63 LYS H H 63 7.806 7.806 7.784 0.022 18429 7001 1 13 . 1 1 64 64 ASP N N 64 116.931 116.931 118.835 -1.904 18429 7002 1 13 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.491 -0.006 18429 7003 1 13 . 1 1 64 64 ASP C C 64 176.460 176.460 175.780 0.680 18429 7004 1 13 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.289 0.351 18429 7005 1 13 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.844 -0.648 18429 7006 1 13 . 1 1 64 64 ASP H H 64 7.771 7.771 7.754 0.017 18429 7007 1 13 . 1 1 65 65 ALA N N 65 121.417 121.417 121.155 0.262 18429 7008 1 13 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.657 -0.065 18429 7009 1 13 . 1 1 65 65 ALA C C 65 180.460 180.460 174.604 5.856 18429 7010 1 13 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.978 0.245 18429 7011 1 13 . 1 1 65 65 ALA CB C 65 18.275 18.275 20.232 -1.957 18429 7012 1 13 . 1 1 65 65 ALA H H 65 7.536 7.536 7.527 0.009 18429 7013 1 13 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.616 -0.644 18429 7014 1 13 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.243 1.816 18429 7015 1 13 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.524 -0.147 18429 7016 1 13 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.689 -0.239 18429 7017 1 13 . 1 1 67 67 ASN CA C 67 56.342 56.342 51.478 4.864 18429 7018 1 13 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.270 2.313 18429 7019 1 13 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.885 0.402 18429 7020 1 13 . 1 1 68 68 ALA C C 68 180.039 180.039 177.803 2.236 18429 7021 1 13 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.137 0.821 18429 7022 1 13 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.359 1.478 18429 7023 1 13 . 1 1 69 69 VAL N N 69 119.699 119.699 120.304 -0.605 18429 7024 1 13 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.655 0.154 18429 7025 1 13 . 1 1 69 69 VAL C C 69 178.578 178.578 177.167 1.411 18429 7026 1 13 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.380 0.530 18429 7027 1 13 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.809 -0.489 18429 7028 1 13 . 1 1 69 69 VAL H H 69 7.968 7.968 7.708 0.260 18429 7029 1 13 . 1 1 70 70 MET N N 70 119.158 119.158 119.366 -0.208 18429 7030 1 13 . 1 1 70 70 MET HA H 70 4.411 4.411 4.044 0.367 18429 7031 1 13 . 1 1 70 70 MET C C 70 177.858 177.858 177.532 0.326 18429 7032 1 13 . 1 1 70 70 MET CA C 70 56.540 56.540 58.408 -1.868 18429 7033 1 13 . 1 1 70 70 MET CB C 70 31.927 31.927 32.148 -0.221 18429 7034 1 13 . 1 1 70 70 MET H H 70 8.195 8.195 8.311 -0.116 18429 7035 1 13 . 1 1 71 71 GLU N N 71 119.109 119.109 118.192 0.917 18429 7036 1 13 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.418 0.103 18429 7037 1 13 . 1 1 71 71 GLU C C 71 178.949 178.949 178.521 0.428 18429 7038 1 13 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.390 0.411 18429 7039 1 13 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.010 0.677 18429 7040 1 13 . 1 1 71 71 GLU H H 71 8.122 8.122 7.929 0.193 18429 7041 1 13 . 1 1 72 72 GLN N N 72 118.471 118.471 118.552 -0.081 18429 7042 1 13 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.030 0.092 18429 7043 1 13 . 1 1 72 72 GLN C C 72 178.597 178.597 178.131 0.466 18429 7044 1 13 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.919 -0.404 18429 7045 1 13 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.503 -0.392 18429 7046 1 13 . 1 1 72 72 GLN H H 72 7.662 7.662 7.598 0.064 18429 7047 1 13 . 1 1 73 73 LEU N N 73 120.880 120.880 119.460 1.420 18429 7048 1 13 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.181 -0.137 18429 7049 1 13 . 1 1 73 73 LEU C C 73 178.992 178.992 179.352 -0.360 18429 7050 1 13 . 1 1 73 73 LEU CA C 73 58.047 58.047 56.400 1.647 18429 7051 1 13 . 1 1 73 73 LEU CB C 73 41.377 41.377 40.797 0.580 18429 7052 1 13 . 1 1 73 73 LEU H H 73 8.170 8.170 7.490 0.680 18429 7053 1 13 . 1 1 74 74 LEU N N 74 119.628 119.628 120.858 -1.230 18429 7054 1 13 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.777 0.175 18429 7055 1 13 . 1 1 74 74 LEU C C 74 179.088 179.088 179.247 -0.159 18429 7056 1 13 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.454 -0.680 18429 7057 1 13 . 1 1 74 74 LEU CB C 74 41.067 41.067 40.433 0.634 18429 7058 1 13 . 1 1 74 74 LEU H H 74 8.396 8.396 7.510 0.886 18429 7059 1 13 . 1 1 75 75 GLU N N 75 119.588 119.588 118.148 1.440 18429 7060 1 13 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.940 0.105 18429 7061 1 13 . 1 1 75 75 GLU C C 75 179.772 179.772 178.712 1.060 18429 7062 1 13 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.394 -0.133 18429 7063 1 13 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.564 -0.697 18429 7064 1 13 . 1 1 75 75 GLU H H 75 7.622 7.622 7.612 0.010 18429 7065 1 13 . 1 1 76 76 GLU N N 76 118.750 118.750 118.449 0.301 18429 7066 1 13 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.156 -0.067 18429 7067 1 13 . 1 1 76 76 GLU C C 76 180.103 180.103 179.168 0.935 18429 7068 1 13 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.238 0.871 18429 7069 1 13 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.318 0.047 18429 7070 1 13 . 1 1 76 76 GLU H H 76 8.127 8.127 7.489 0.638 18429 7071 1 13 . 1 1 77 77 ILE N N 77 121.044 121.044 120.414 0.630 18429 7072 1 13 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.754 0.070 18429 7073 1 13 . 1 1 77 77 ILE C C 77 177.219 177.219 177.598 -0.379 18429 7074 1 13 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.335 -0.790 18429 7075 1 13 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.645 -0.499 18429 7076 1 13 . 1 1 77 77 ILE H H 77 8.715 8.715 8.132 0.583 18429 7077 1 13 . 1 1 78 78 GLU N N 78 121.847 121.847 121.138 0.709 18429 7078 1 13 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.923 0.119 18429 7079 1 13 . 1 1 78 78 GLU C C 78 179.644 179.644 178.824 0.820 18429 7080 1 13 . 1 1 78 78 GLU CA C 78 59.486 59.486 60.140 -0.654 18429 7081 1 13 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.439 -0.453 18429 7082 1 13 . 1 1 78 78 GLU H H 78 8.161 8.161 7.740 0.421 18429 7083 1 13 . 1 1 79 79 LYS N N 79 118.842 118.842 118.737 0.105 18429 7084 1 13 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.062 -0.100 18429 7085 1 13 . 1 1 79 79 LYS C C 79 179.729 179.729 179.238 0.491 18429 7086 1 13 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.674 1.067 18429 7087 1 13 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.902 0.528 18429 7088 1 13 . 1 1 79 79 LYS H H 79 7.756 7.756 7.624 0.132 18429 7089 1 13 . 1 1 80 80 LEU N N 80 120.440 120.440 120.736 -0.296 18429 7090 1 13 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.034 0.019 18429 7091 1 13 . 1 1 80 80 LEU C C 80 178.939 178.939 178.711 0.228 18429 7092 1 13 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.813 0.142 18429 7093 1 13 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.994 -0.318 18429 7094 1 13 . 1 1 80 80 LEU H H 80 7.805 7.805 7.738 0.067 18429 7095 1 13 . 1 1 81 81 LEU N N 81 119.519 119.519 119.120 0.399 18429 7096 1 13 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.845 0.110 18429 7097 1 13 . 1 1 81 81 LEU C C 81 179.366 179.366 179.258 0.108 18429 7098 1 13 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.032 -0.256 18429 7099 1 13 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.600 0.017 18429 7100 1 13 . 1 1 81 81 LEU H H 81 8.423 8.423 8.147 0.276 18429 7101 1 13 . 1 1 82 82 LYS N N 82 119.070 119.070 118.504 0.566 18429 7102 1 13 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.028 0.103 18429 7103 1 13 . 1 1 82 82 LYS C C 82 179.237 179.237 179.118 0.119 18429 7104 1 13 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.243 -0.371 18429 7105 1 13 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.130 0.082 18429 7106 1 13 . 1 1 82 82 LYS H H 82 7.804 7.804 7.828 -0.024 18429 7107 1 13 . 1 1 83 83 LYS N N 83 119.647 119.647 117.800 1.847 18429 7108 1 13 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.251 -0.010 18429 7109 1 13 . 1 1 83 83 LYS C C 83 178.234 178.234 178.113 0.121 18429 7110 1 13 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.019 -0.691 18429 7111 1 13 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.812 -0.623 18429 7112 1 13 . 1 1 83 83 LYS H H 83 7.737 7.737 7.574 0.163 18429 7113 1 13 . 1 1 84 84 ALA N N 84 122.121 122.121 120.800 1.321 18429 7114 1 13 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.520 -0.450 18429 7115 1 13 . 1 1 84 84 ALA C C 84 179.003 179.003 177.110 1.893 18429 7116 1 13 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.100 1.822 18429 7117 1 13 . 1 1 84 84 ALA CB C 84 18.175 18.175 18.247 -0.072 18429 7118 1 13 . 1 1 84 84 ALA H H 84 8.259 8.259 8.040 0.219 18429 7119 1 13 . 1 1 85 85 GLY N N 85 105.518 105.518 107.467 -1.949 18429 7120 1 13 . 1 1 85 85 GLY C C 85 174.759 174.759 173.959 0.800 18429 7121 1 13 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.081 0.656 18429 7122 1 13 . 1 1 85 85 GLY H H 85 8.191 8.191 7.383 0.808 18429 7123 1 13 . 1 1 86 86 SER N N 86 114.680 114.680 115.201 -0.521 18429 7124 1 13 . 1 1 86 86 SER HA H 86 4.512 4.512 4.002 0.510 18429 7125 1 13 . 1 1 86 86 SER C C 86 174.452 174.452 174.655 -0.203 18429 7126 1 13 . 1 1 86 86 SER CA C 86 58.641 58.641 58.759 -0.118 18429 7127 1 13 . 1 1 86 86 SER CB C 86 63.751 63.751 63.463 0.288 18429 7128 1 13 . 1 1 86 86 SER H H 86 7.884 7.884 8.072 -0.188 18429 7129 1 13 . 1 1 87 87 LEU N N 87 122.300 122.300 119.578 2.722 18429 7130 1 13 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.161 0.171 18429 7131 1 13 . 1 1 87 87 LEU C C 87 176.845 176.845 175.180 1.665 18429 7132 1 13 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.368 -0.376 18429 7133 1 13 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.606 0.318 18429 7134 1 13 . 1 1 87 87 LEU H H 87 7.806 7.806 8.328 -0.522 18429 7135 1 13 . 1 1 88 88 VAL N N 88 120.869 120.869 113.478 7.391 18429 7136 1 13 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.231 0.156 18429 7137 1 13 . 1 1 88 88 VAL C C 88 174.367 174.367 175.542 -1.175 18429 7138 1 13 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.879 -1.123 18429 7139 1 13 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.786 0.592 18429 7140 1 13 . 1 1 88 88 VAL H H 88 7.849 7.849 7.667 0.182 18429 7141 1 13 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.435 -0.023 18429 7142 1 13 . 1 1 89 89 PRO C C 89 176.898 176.898 176.714 0.184 18429 7143 1 13 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.913 -0.984 18429 7144 1 13 . 1 1 89 89 PRO CB C 89 31.926 31.926 31.903 0.023 18429 7145 1 13 . 1 1 90 90 ARG N N 90 121.893 121.893 120.450 1.443 18429 7146 1 13 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.550 -0.259 18429 7147 1 13 . 1 1 90 90 ARG C C 90 177.081 177.081 174.947 2.134 18429 7148 1 13 . 1 1 90 90 ARG CA C 90 56.325 56.325 55.978 0.346 18429 7149 1 13 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.640 -0.086 18429 7150 1 13 . 1 1 90 90 ARG H H 90 8.528 8.528 7.851 0.677 18429 7151 1 13 . 1 1 91 91 GLY N N 91 109.932 109.932 113.100 -3.168 18429 7152 1 13 . 1 1 91 91 GLY C C 91 174.324 174.324 173.450 0.874 18429 7153 1 13 . 1 1 91 91 GLY CA C 91 45.293 45.293 45.356 -0.063 18429 7154 1 13 . 1 1 91 91 GLY H H 91 8.551 8.551 8.629 -0.078 18429 7155 1 13 . 1 1 92 92 SER N N 92 115.612 115.612 117.212 -1.600 18429 7156 1 13 . 1 1 92 92 SER HA H 92 4.407 4.407 4.930 -0.523 18429 7157 1 13 . 1 1 92 92 SER C C 92 174.463 174.463 173.229 1.234 18429 7158 1 13 . 1 1 92 92 SER CA C 92 58.310 58.310 58.120 0.190 18429 7159 1 13 . 1 1 92 92 SER CB C 92 63.616 63.616 64.103 -0.487 18429 7160 1 13 . 1 1 92 92 SER H H 92 8.183 8.183 8.138 0.045 18429 7161 1 13 . 1 1 93 93 TYR N N 93 122.140 122.140 126.531 -4.391 18429 7162 1 13 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.567 -0.061 18429 7163 1 13 . 1 1 93 93 TYR C C 93 175.659 175.659 174.160 1.499 18429 7164 1 13 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.860 -0.755 18429 7165 1 13 . 1 1 93 93 TYR CB C 93 38.291 38.291 39.181 -0.890 18429 7166 1 13 . 1 1 93 93 TYR H H 93 8.206 8.206 8.528 -0.322 18429 7167 1 13 . 1 1 94 94 LEU N N 94 123.025 123.025 127.883 -4.858 18429 7168 1 13 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.729 -0.530 18429 7169 1 13 . 1 1 94 94 LEU C C 94 177.037 177.037 175.665 1.372 18429 7170 1 13 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.837 0.109 18429 7171 1 13 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.464 -0.298 18429 7172 1 13 . 1 1 94 94 LEU H H 94 8.007 8.007 8.244 -0.237 18429 7173 1 13 . 1 1 95 95 GLU N N 95 120.848 120.848 126.317 -5.469 18429 7174 1 13 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.626 -0.510 18429 7175 1 13 . 1 1 95 95 GLU C C 95 176.268 176.268 176.205 0.063 18429 7176 1 13 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.571 0.142 18429 7177 1 13 . 1 1 95 95 GLU CB C 95 30.046 30.046 30.327 -0.281 18429 7178 1 13 . 1 1 95 95 GLU H H 95 8.141 8.141 8.723 -0.582 18429 7179 1 13 . 1 1 96 96 HIS N N 96 119.288 119.288 119.070 0.218 18429 7180 1 13 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.259 0.311 18429 7181 1 13 . 1 1 96 96 HIS C C 96 174.100 174.100 174.536 -0.436 18429 7182 1 13 . 1 1 96 96 HIS CA C 96 55.839 55.839 57.062 -1.223 18429 7183 1 13 . 1 1 96 96 HIS CB C 96 30.404 30.404 29.194 1.210 18429 7184 1 13 . 1 1 96 96 HIS H H 96 8.144 8.144 8.850 -0.706 18429 7185 1 13 . 1 1 97 97 HIS N N 97 125.622 125.622 117.706 7.916 18429 7186 1 13 . 1 1 97 97 HIS C C 97 179.480 179.480 175.400 4.080 18429 7187 1 13 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.173 2.274 18429 7188 1 13 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.880 0.874 18429 7189 1 13 . 1 1 97 97 HIS H H 97 8.017 8.017 8.035 -0.018 18429 7190 1 14 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.596 -0.280 18429 7191 1 14 . 1 1 2 2 GLN C C 2 177.028 177.028 175.874 1.154 18429 7192 1 14 . 1 1 2 2 GLN CA C 2 56.800 56.800 55.796 1.004 18429 7193 1 14 . 1 1 2 2 GLN CB C 2 28.884 28.884 30.260 -1.376 18429 7194 1 14 . 1 1 3 3 GLU N N 3 123.654 123.654 123.986 -0.332 18429 7195 1 14 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.753 0.324 18429 7196 1 14 . 1 1 3 3 GLU C C 3 177.945 177.945 177.416 0.529 18429 7197 1 14 . 1 1 3 3 GLU CA C 3 59.110 59.110 58.737 0.373 18429 7198 1 14 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.533 0.810 18429 7199 1 14 . 1 1 3 3 GLU H H 3 8.995 8.995 9.028 -0.033 18429 7200 1 14 . 1 1 4 4 GLU N N 4 119.237 119.237 120.483 -1.246 18429 7201 1 14 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.089 -0.020 18429 7202 1 14 . 1 1 4 4 GLU C C 4 178.815 178.815 178.709 0.106 18429 7203 1 14 . 1 1 4 4 GLU CA C 4 59.152 59.152 58.640 0.512 18429 7204 1 14 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.565 -0.347 18429 7205 1 14 . 1 1 4 4 GLU H H 4 8.837 8.837 8.082 0.755 18429 7206 1 14 . 1 1 5 5 ARG N N 5 120.052 120.052 119.617 0.435 18429 7207 1 14 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.093 -0.142 18429 7208 1 14 . 1 1 5 5 ARG C C 5 177.324 177.324 178.632 -1.308 18429 7209 1 14 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.643 -0.402 18429 7210 1 14 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.122 -0.141 18429 7211 1 14 . 1 1 5 5 ARG H H 5 7.884 7.884 8.552 -0.668 18429 7212 1 14 . 1 1 6 6 LYS N N 6 119.327 119.327 118.286 1.041 18429 7213 1 14 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.109 -0.129 18429 7214 1 14 . 1 1 6 6 LYS C C 6 178.939 178.939 179.069 -0.130 18429 7215 1 14 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.912 0.420 18429 7216 1 14 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.701 0.453 18429 7217 1 14 . 1 1 6 6 LYS H H 6 7.998 7.998 8.557 -0.559 18429 7218 1 14 . 1 1 7 7 LYS N N 7 117.908 117.908 120.280 -2.372 18429 7219 1 14 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.115 -0.019 18429 7220 1 14 . 1 1 7 7 LYS C C 7 179.332 179.332 179.021 0.311 18429 7221 1 14 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.908 -0.142 18429 7222 1 14 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.297 0.000 18429 7223 1 14 . 1 1 7 7 LYS H H 7 7.917 7.917 7.517 0.400 18429 7224 1 14 . 1 1 8 8 LEU N N 8 120.724 120.724 121.446 -0.722 18429 7225 1 14 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.111 -0.062 18429 7226 1 14 . 1 1 8 8 LEU C C 8 178.490 178.490 178.631 -0.141 18429 7227 1 14 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.141 -0.452 18429 7228 1 14 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.658 -0.053 18429 7229 1 14 . 1 1 8 8 LEU H H 8 7.686 7.686 7.976 -0.290 18429 7230 1 14 . 1 1 9 9 LEU N N 9 118.886 118.886 115.232 3.654 18429 7231 1 14 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.168 -0.230 18429 7232 1 14 . 1 1 9 9 LEU C C 9 178.981 178.981 178.931 0.050 18429 7233 1 14 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.733 0.225 18429 7234 1 14 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.921 -0.079 18429 7235 1 14 . 1 1 9 9 LEU H H 9 8.158 8.158 7.733 0.425 18429 7236 1 14 . 1 1 10 10 GLU N N 10 119.000 119.000 119.991 -0.991 18429 7237 1 14 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.003 0.049 18429 7238 1 14 . 1 1 10 10 GLU C C 10 179.601 179.601 178.566 1.035 18429 7239 1 14 . 1 1 10 10 GLU CA C 10 59.278 59.278 58.712 0.566 18429 7240 1 14 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.117 0.169 18429 7241 1 14 . 1 1 10 10 GLU H H 10 8.069 8.069 8.024 0.045 18429 7242 1 14 . 1 1 11 11 LYS N N 11 119.446 119.446 119.915 -0.469 18429 7243 1 14 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.084 -0.001 18429 7244 1 14 . 1 1 11 11 LYS C C 11 178.971 178.971 178.676 0.295 18429 7245 1 14 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.128 -0.356 18429 7246 1 14 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.127 -0.131 18429 7247 1 14 . 1 1 11 11 LYS H H 11 7.676 7.676 7.669 0.007 18429 7248 1 14 . 1 1 12 12 LEU N N 12 120.017 120.017 119.977 0.040 18429 7249 1 14 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.934 -0.050 18429 7250 1 14 . 1 1 12 12 LEU C C 12 177.977 177.977 179.043 -1.066 18429 7251 1 14 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.930 -0.205 18429 7252 1 14 . 1 1 12 12 LEU CB C 12 41.577 41.577 40.666 0.911 18429 7253 1 14 . 1 1 12 12 LEU H H 12 8.378 8.378 7.561 0.817 18429 7254 1 14 . 1 1 13 13 GLU N N 13 117.914 117.914 117.384 0.530 18429 7255 1 14 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.909 -0.213 18429 7256 1 14 . 1 1 13 13 GLU C C 13 177.934 177.934 179.490 -1.556 18429 7257 1 14 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.122 0.994 18429 7258 1 14 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.851 0.547 18429 7259 1 14 . 1 1 13 13 GLU H H 13 8.458 8.458 7.767 0.691 18429 7260 1 14 . 1 1 14 14 LYS N N 14 117.629 117.629 120.105 -2.476 18429 7261 1 14 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.151 -0.016 18429 7262 1 14 . 1 1 14 14 LYS C C 14 179.227 179.227 179.164 0.063 18429 7263 1 14 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.349 0.517 18429 7264 1 14 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.369 -0.242 18429 7265 1 14 . 1 1 14 14 LYS H H 14 7.365 7.365 7.630 -0.265 18429 7266 1 14 . 1 1 15 15 ILE N N 15 119.583 119.583 120.679 -1.096 18429 7267 1 14 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.772 0.005 18429 7268 1 14 . 1 1 15 15 ILE C C 15 178.009 178.009 178.515 -0.506 18429 7269 1 14 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.360 -0.471 18429 7270 1 14 . 1 1 15 15 ILE CB C 15 38.200 38.200 38.047 0.153 18429 7271 1 14 . 1 1 15 15 ILE H H 15 7.726 7.726 8.171 -0.445 18429 7272 1 14 . 1 1 16 16 LEU N N 16 118.601 118.601 119.060 -0.459 18429 7273 1 14 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.944 -0.091 18429 7274 1 14 . 1 1 16 16 LEU C C 16 179.729 179.729 178.805 0.924 18429 7275 1 14 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.444 -0.602 18429 7276 1 14 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.736 -0.099 18429 7277 1 14 . 1 1 16 16 LEU H H 16 8.372 8.372 8.436 -0.064 18429 7278 1 14 . 1 1 17 17 ASP N N 17 120.008 120.008 118.925 1.083 18429 7279 1 14 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.351 -0.015 18429 7280 1 14 . 1 1 17 17 ASP C C 17 178.148 178.148 178.629 -0.481 18429 7281 1 14 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.301 -0.012 18429 7282 1 14 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.040 -0.772 18429 7283 1 14 . 1 1 17 17 ASP H H 17 8.192 8.192 7.769 0.423 18429 7284 1 14 . 1 1 18 18 GLU N N 18 119.362 119.362 119.363 -0.001 18429 7285 1 14 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.198 -0.047 18429 7286 1 14 . 1 1 18 18 GLU C C 18 179.653 179.653 179.253 0.400 18429 7287 1 14 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.483 0.772 18429 7288 1 14 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.816 -0.616 18429 7289 1 14 . 1 1 18 18 GLU H H 18 7.860 7.860 7.752 0.108 18429 7290 1 14 . 1 1 19 19 VAL N N 19 118.483 118.483 119.447 -0.964 18429 7291 1 14 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.830 -0.004 18429 7292 1 14 . 1 1 19 19 VAL C C 19 177.496 177.496 177.452 0.044 18429 7293 1 14 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.161 -1.264 18429 7294 1 14 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.184 -0.375 18429 7295 1 14 . 1 1 19 19 VAL H H 19 8.416 8.416 8.131 0.285 18429 7296 1 14 . 1 1 20 20 THR N N 20 112.904 112.904 109.371 3.533 18429 7297 1 14 . 1 1 20 20 THR HA H 20 3.856 3.856 4.172 -0.316 18429 7298 1 14 . 1 1 20 20 THR C C 20 175.894 175.894 175.596 0.298 18429 7299 1 14 . 1 1 20 20 THR CA C 20 65.696 65.696 64.167 1.529 18429 7300 1 14 . 1 1 20 20 THR CB C 20 68.587 68.587 69.271 -0.684 18429 7301 1 14 . 1 1 20 20 THR H H 20 7.985 7.985 7.683 0.302 18429 7302 1 14 . 1 1 21 21 ASP N N 21 120.510 120.510 122.409 -1.899 18429 7303 1 14 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.522 -0.079 18429 7304 1 14 . 1 1 21 21 ASP C C 21 177.358 177.358 177.714 -0.356 18429 7305 1 14 . 1 1 21 21 ASP CA C 21 56.368 56.368 55.684 0.684 18429 7306 1 14 . 1 1 21 21 ASP CB C 21 40.873 40.873 41.190 -0.317 18429 7307 1 14 . 1 1 21 21 ASP H H 21 7.935 7.935 7.937 -0.002 18429 7308 1 14 . 1 1 22 22 GLY N N 22 106.730 106.730 107.735 -1.005 18429 7309 1 14 . 1 1 22 22 GLY C C 22 174.004 174.004 173.414 0.590 18429 7310 1 14 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.836 -0.009 18429 7311 1 14 . 1 1 22 22 GLY H H 22 7.939 7.939 7.803 0.136 18429 7312 1 14 . 1 1 23 23 ALA N N 23 124.286 124.286 122.911 1.375 18429 7313 1 14 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.057 0.451 18429 7314 1 14 . 1 1 23 23 ALA C C 23 174.921 174.921 174.880 0.041 18429 7315 1 14 . 1 1 23 23 ALA CA C 23 50.351 50.351 51.938 -1.587 18429 7316 1 14 . 1 1 23 23 ALA CB C 23 17.504 17.504 17.571 -0.067 18429 7317 1 14 . 1 1 23 23 ALA H H 23 7.531 7.531 8.341 -0.810 18429 7318 1 14 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.645 -0.082 18429 7319 1 14 . 1 1 24 24 PRO C C 24 177.571 177.571 177.109 0.462 18429 7320 1 14 . 1 1 24 24 PRO CA C 24 62.490 62.490 61.892 0.598 18429 7321 1 14 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.179 -0.081 18429 7322 1 14 . 1 1 25 25 ASP N N 25 122.828 122.828 121.242 1.586 18429 7323 1 14 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.266 -0.011 18429 7324 1 14 . 1 1 25 25 ASP C C 25 178.298 178.298 178.036 0.262 18429 7325 1 14 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.606 0.457 18429 7326 1 14 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.523 -0.006 18429 7327 1 14 . 1 1 25 25 ASP H H 25 8.779 8.779 8.667 0.112 18429 7328 1 14 . 1 1 26 26 GLU N N 26 117.055 117.055 119.288 -2.233 18429 7329 1 14 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.213 -0.078 18429 7330 1 14 . 1 1 26 26 GLU C C 26 177.454 177.454 178.377 -0.923 18429 7331 1 14 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.320 0.904 18429 7332 1 14 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.239 -0.685 18429 7333 1 14 . 1 1 26 26 GLU H H 26 9.324 9.324 8.632 0.692 18429 7334 1 14 . 1 1 27 27 ALA N N 27 120.789 120.789 121.266 -0.477 18429 7335 1 14 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.112 0.299 18429 7336 1 14 . 1 1 27 27 ALA C C 27 178.065 178.065 178.879 -0.814 18429 7337 1 14 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.930 -1.051 18429 7338 1 14 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.332 1.564 18429 7339 1 14 . 1 1 27 27 ALA H H 27 7.474 7.474 8.262 -0.788 18429 7340 1 14 . 1 1 28 28 ARG N N 28 118.872 118.872 119.109 -0.237 18429 7341 1 14 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.975 -0.300 18429 7342 1 14 . 1 1 28 28 ARG C C 28 177.550 177.550 177.779 -0.229 18429 7343 1 14 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.732 0.870 18429 7344 1 14 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.350 -0.806 18429 7345 1 14 . 1 1 28 28 ARG H H 28 7.803 7.803 7.893 -0.090 18429 7346 1 14 . 1 1 29 29 GLU N N 29 117.512 117.512 117.766 -0.254 18429 7347 1 14 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.056 -0.014 18429 7348 1 14 . 1 1 29 29 GLU C C 29 179.122 179.122 178.963 0.159 18429 7349 1 14 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.201 0.406 18429 7350 1 14 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.677 0.564 18429 7351 1 14 . 1 1 29 29 GLU H H 29 8.490 8.490 8.059 0.431 18429 7352 1 14 . 1 1 30 30 ARG N N 30 119.240 119.240 120.297 -1.057 18429 7353 1 14 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.132 0.002 18429 7354 1 14 . 1 1 30 30 ARG C C 30 179.248 179.248 178.467 0.781 18429 7355 1 14 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.996 -0.167 18429 7356 1 14 . 1 1 30 30 ARG CB C 30 29.865 29.865 30.048 -0.183 18429 7357 1 14 . 1 1 30 30 ARG H H 30 7.789 7.789 7.460 0.329 18429 7358 1 14 . 1 1 31 31 ILE N N 31 120.920 120.920 119.793 1.127 18429 7359 1 14 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.784 -0.046 18429 7360 1 14 . 1 1 31 31 ILE C C 31 177.089 177.089 178.112 -1.023 18429 7361 1 14 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.169 -1.351 18429 7362 1 14 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.462 -0.377 18429 7363 1 14 . 1 1 31 31 ILE H H 31 8.256 8.256 7.456 0.800 18429 7364 1 14 . 1 1 32 32 GLU N N 32 120.281 120.281 118.977 1.304 18429 7365 1 14 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.965 -0.029 18429 7366 1 14 . 1 1 32 32 GLU C C 32 179.429 179.429 179.101 0.328 18429 7367 1 14 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.463 0.096 18429 7368 1 14 . 1 1 32 32 GLU CB C 32 29.403 29.403 28.941 0.462 18429 7369 1 14 . 1 1 32 32 GLU H H 32 8.697 8.697 8.283 0.414 18429 7370 1 14 . 1 1 33 33 LYS N N 33 119.737 119.737 119.350 0.387 18429 7371 1 14 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.173 -0.115 18429 7372 1 14 . 1 1 33 33 LYS C C 33 178.159 178.159 179.029 -0.870 18429 7373 1 14 . 1 1 33 33 LYS CA C 33 59.411 59.411 58.415 0.996 18429 7374 1 14 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.185 -0.135 18429 7375 1 14 . 1 1 33 33 LYS H H 33 7.764 7.764 7.517 0.247 18429 7376 1 14 . 1 1 34 34 LEU N N 34 120.133 120.133 121.224 -1.091 18429 7377 1 14 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.175 0.057 18429 7378 1 14 . 1 1 34 34 LEU C C 34 178.629 178.629 178.549 0.080 18429 7379 1 14 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.484 0.023 18429 7380 1 14 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.827 -0.030 18429 7381 1 14 . 1 1 34 34 LEU H H 34 7.790 7.790 7.755 0.035 18429 7382 1 14 . 1 1 35 35 ALA N N 35 119.492 119.492 120.562 -1.070 18429 7383 1 14 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.792 -0.024 18429 7384 1 14 . 1 1 35 35 ALA C C 35 179.297 179.297 179.287 0.010 18429 7385 1 14 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.314 -0.291 18429 7386 1 14 . 1 1 35 35 ALA CB C 35 18.191 18.191 17.973 0.218 18429 7387 1 14 . 1 1 35 35 ALA H H 35 8.634 8.634 8.392 0.242 18429 7388 1 14 . 1 1 36 36 LYS N N 36 118.470 118.470 119.034 -0.564 18429 7389 1 14 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.997 -0.066 18429 7390 1 14 . 1 1 36 36 LYS C C 36 178.223 178.223 178.671 -0.448 18429 7391 1 14 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.479 -0.284 18429 7392 1 14 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.273 -0.218 18429 7393 1 14 . 1 1 36 36 LYS H H 36 7.704 7.704 7.725 -0.021 18429 7394 1 14 . 1 1 37 37 ASP N N 37 120.075 120.075 119.629 0.446 18429 7395 1 14 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.423 -0.020 18429 7396 1 14 . 1 1 37 37 ASP C C 37 179.334 179.334 178.577 0.757 18429 7397 1 14 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.709 -0.528 18429 7398 1 14 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.923 -0.946 18429 7399 1 14 . 1 1 37 37 ASP H H 37 8.203 8.203 7.636 0.567 18429 7400 1 14 . 1 1 38 38 VAL N N 38 118.202 118.202 119.473 -1.271 18429 7401 1 14 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.637 -0.014 18429 7402 1 14 . 1 1 38 38 VAL C C 38 177.017 177.017 177.666 -0.649 18429 7403 1 14 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.201 -0.533 18429 7404 1 14 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.075 0.162 18429 7405 1 14 . 1 1 38 38 VAL H H 38 8.215 8.215 8.243 -0.028 18429 7406 1 14 . 1 1 39 39 LYS N N 39 119.236 119.236 117.595 1.641 18429 7407 1 14 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.923 -0.113 18429 7408 1 14 . 1 1 39 39 LYS C C 39 178.575 178.575 178.527 0.048 18429 7409 1 14 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.388 0.325 18429 7410 1 14 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.816 0.275 18429 7411 1 14 . 1 1 39 39 LYS H H 39 7.780 7.780 7.784 -0.004 18429 7412 1 14 . 1 1 40 40 ASP N N 40 118.227 118.227 120.481 -2.254 18429 7413 1 14 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.419 0.033 18429 7414 1 14 . 1 1 40 40 ASP C C 40 178.137 178.137 178.397 -0.260 18429 7415 1 14 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.083 -0.660 18429 7416 1 14 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.923 -0.513 18429 7417 1 14 . 1 1 40 40 ASP H H 40 8.273 8.273 7.858 0.415 18429 7418 1 14 . 1 1 41 41 GLU N N 41 119.896 119.896 119.005 0.891 18429 7419 1 14 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.085 0.146 18429 7420 1 14 . 1 1 41 41 GLU C C 41 177.849 177.849 179.429 -1.580 18429 7421 1 14 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.731 -1.346 18429 7422 1 14 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.427 0.304 18429 7423 1 14 . 1 1 41 41 GLU H H 41 7.875 7.875 7.857 0.018 18429 7424 1 14 . 1 1 42 42 LEU N N 42 119.906 119.906 117.270 2.636 18429 7425 1 14 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.029 0.095 18429 7426 1 14 . 1 1 42 42 LEU C C 42 178.276 178.276 178.171 0.105 18429 7427 1 14 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.362 -0.649 18429 7428 1 14 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.974 0.174 18429 7429 1 14 . 1 1 42 42 LEU H H 42 7.952 7.952 7.776 0.176 18429 7430 1 14 . 1 1 43 43 GLU N N 43 117.735 117.735 114.044 3.691 18429 7431 1 14 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.316 -0.181 18429 7432 1 14 . 1 1 43 43 GLU C C 43 177.582 177.582 177.541 0.041 18429 7433 1 14 . 1 1 43 43 GLU CA C 43 58.804 58.804 56.563 2.241 18429 7434 1 14 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.299 -0.728 18429 7435 1 14 . 1 1 43 43 GLU H H 43 8.020 8.020 7.667 0.353 18429 7436 1 14 . 1 1 44 44 GLU N N 44 116.308 116.308 120.584 -4.276 18429 7437 1 14 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.216 0.200 18429 7438 1 14 . 1 1 44 44 GLU C C 44 177.133 177.133 176.586 0.547 18429 7439 1 14 . 1 1 44 44 GLU CA C 44 56.448 56.448 57.856 -1.408 18429 7440 1 14 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.883 0.231 18429 7441 1 14 . 1 1 44 44 GLU H H 44 8.128 8.128 7.977 0.151 18429 7442 1 14 . 1 1 45 45 GLY N N 45 109.450 109.450 107.099 2.351 18429 7443 1 14 . 1 1 45 45 GLY C C 45 173.685 173.685 173.265 0.420 18429 7444 1 14 . 1 1 45 45 GLY CA C 45 45.374 45.374 45.579 -0.205 18429 7445 1 14 . 1 1 45 45 GLY H H 45 8.156 8.156 7.644 0.512 18429 7446 1 14 . 1 1 46 46 ASP N N 46 120.995 120.995 123.873 -2.878 18429 7447 1 14 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.673 0.015 18429 7448 1 14 . 1 1 46 46 ASP C C 46 176.375 176.375 176.128 0.247 18429 7449 1 14 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.120 -0.495 18429 7450 1 14 . 1 1 46 46 ASP CB C 46 41.207 41.207 40.232 0.975 18429 7451 1 14 . 1 1 46 46 ASP H H 46 8.467 8.467 8.504 -0.037 18429 7452 1 14 . 1 1 47 47 ALA N N 47 124.626 124.626 128.031 -3.405 18429 7453 1 14 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.288 -0.165 18429 7454 1 14 . 1 1 47 47 ALA C C 47 178.084 178.084 178.275 -0.191 18429 7455 1 14 . 1 1 47 47 ALA CA C 47 53.941 53.941 53.800 0.141 18429 7456 1 14 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.888 -0.904 18429 7457 1 14 . 1 1 47 47 ALA H H 47 8.483 8.483 7.866 0.617 18429 7458 1 14 . 1 1 48 48 LYS N N 48 118.214 118.214 119.701 -1.487 18429 7459 1 14 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.961 -0.160 18429 7460 1 14 . 1 1 48 48 LYS C C 48 177.582 177.582 178.369 -0.787 18429 7461 1 14 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.189 0.923 18429 7462 1 14 . 1 1 48 48 LYS CB C 48 32.160 32.160 31.961 0.199 18429 7463 1 14 . 1 1 48 48 LYS H H 48 8.349 8.349 8.435 -0.086 18429 7464 1 14 . 1 1 49 49 ASN N N 49 116.387 116.387 116.477 -0.090 18429 7465 1 14 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.735 -0.227 18429 7466 1 14 . 1 1 49 49 ASN C C 49 177.753 177.753 177.680 0.073 18429 7467 1 14 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.153 -0.172 18429 7468 1 14 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.164 0.201 18429 7469 1 14 . 1 1 49 49 ASN H H 49 8.184 8.184 8.544 -0.360 18429 7470 1 14 . 1 1 50 50 MET N N 50 118.627 118.627 118.077 0.550 18429 7471 1 14 . 1 1 50 50 MET HA H 50 4.335 4.335 4.253 0.082 18429 7472 1 14 . 1 1 50 50 MET C C 50 178.683 178.683 178.824 -0.141 18429 7473 1 14 . 1 1 50 50 MET CA C 50 57.203 57.203 57.860 -0.657 18429 7474 1 14 . 1 1 50 50 MET CB C 50 32.289 32.289 31.766 0.523 18429 7475 1 14 . 1 1 50 50 MET H H 50 8.189 8.189 7.846 0.343 18429 7476 1 14 . 1 1 51 51 ILE N N 51 120.778 120.778 120.589 0.189 18429 7477 1 14 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.675 0.018 18429 7478 1 14 . 1 1 51 51 ILE C C 51 177.667 177.667 177.955 -0.288 18429 7479 1 14 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.583 -0.219 18429 7480 1 14 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.318 -0.034 18429 7481 1 14 . 1 1 51 51 ILE H H 51 8.475 8.475 8.045 0.430 18429 7482 1 14 . 1 1 52 52 GLU N N 52 120.715 120.715 119.977 0.738 18429 7483 1 14 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.009 -0.170 18429 7484 1 14 . 1 1 52 52 GLU C C 52 178.201 178.201 179.370 -1.169 18429 7485 1 14 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.732 0.395 18429 7486 1 14 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.320 -0.074 18429 7487 1 14 . 1 1 52 52 GLU H H 52 8.372 8.372 7.839 0.533 18429 7488 1 14 . 1 1 53 53 LYS N N 53 118.426 118.426 118.888 -0.462 18429 7489 1 14 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.203 -0.073 18429 7490 1 14 . 1 1 53 53 LYS C C 53 179.163 179.163 178.944 0.219 18429 7491 1 14 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.107 0.980 18429 7492 1 14 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.189 -0.039 18429 7493 1 14 . 1 1 53 53 LYS H H 53 7.766 7.766 8.253 -0.487 18429 7494 1 14 . 1 1 54 54 PHE N N 54 120.522 120.522 121.162 -0.640 18429 7495 1 14 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.259 -0.157 18429 7496 1 14 . 1 1 54 54 PHE C C 54 176.920 176.920 176.844 0.076 18429 7497 1 14 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.410 0.127 18429 7498 1 14 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.286 0.126 18429 7499 1 14 . 1 1 54 54 PHE H H 54 7.990 7.990 8.317 -0.327 18429 7500 1 14 . 1 1 55 55 ARG N N 55 120.870 120.870 120.152 0.718 18429 7501 1 14 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.930 -0.104 18429 7502 1 14 . 1 1 55 55 ARG C C 55 178.383 178.383 178.020 0.363 18429 7503 1 14 . 1 1 55 55 ARG CA C 55 59.960 59.960 58.771 1.189 18429 7504 1 14 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.425 2.690 18429 7505 1 14 . 1 1 55 55 ARG H H 55 8.774 8.774 8.160 0.614 18429 7506 1 14 . 1 1 56 56 ASP N N 56 119.776 119.776 118.134 1.642 18429 7507 1 14 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.337 -0.010 18429 7508 1 14 . 1 1 56 56 ASP C C 56 179.398 179.398 178.459 0.939 18429 7509 1 14 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.460 0.096 18429 7510 1 14 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.776 -0.959 18429 7511 1 14 . 1 1 56 56 ASP H H 56 8.491 8.491 8.055 0.436 18429 7512 1 14 . 1 1 57 57 GLU N N 57 120.418 120.418 119.823 0.595 18429 7513 1 14 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.042 0.011 18429 7514 1 14 . 1 1 57 57 GLU C C 57 179.708 179.708 178.874 0.834 18429 7515 1 14 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.765 0.129 18429 7516 1 14 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.311 0.065 18429 7517 1 14 . 1 1 57 57 GLU H H 57 7.894 7.894 7.929 -0.035 18429 7518 1 14 . 1 1 58 58 MET N N 58 119.674 119.674 117.762 1.912 18429 7519 1 14 . 1 1 58 58 MET HA H 58 4.090 4.090 3.976 0.114 18429 7520 1 14 . 1 1 58 58 MET C C 58 178.137 178.137 178.348 -0.211 18429 7521 1 14 . 1 1 58 58 MET CA C 58 58.568 58.568 59.374 -0.806 18429 7522 1 14 . 1 1 58 58 MET CB C 58 31.846 31.846 32.187 -0.341 18429 7523 1 14 . 1 1 58 58 MET H H 58 8.352 8.352 8.041 0.311 18429 7524 1 14 . 1 1 59 59 GLU N N 59 119.770 119.770 119.662 0.108 18429 7525 1 14 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.022 -0.072 18429 7526 1 14 . 1 1 59 59 GLU C C 59 178.939 178.939 178.886 0.053 18429 7527 1 14 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.265 0.479 18429 7528 1 14 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.428 -0.251 18429 7529 1 14 . 1 1 59 59 GLU H H 59 8.717 8.717 7.941 0.776 18429 7530 1 14 . 1 1 60 60 GLN N N 60 117.895 117.895 119.493 -1.598 18429 7531 1 14 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.128 -0.157 18429 7532 1 14 . 1 1 60 60 GLN C C 60 178.052 178.052 178.446 -0.394 18429 7533 1 14 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.755 -0.500 18429 7534 1 14 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.846 -0.728 18429 7535 1 14 . 1 1 60 60 GLN H H 60 7.613 7.613 7.591 0.022 18429 7536 1 14 . 1 1 61 61 MET N N 61 118.464 118.464 117.754 0.710 18429 7537 1 14 . 1 1 61 61 MET HA H 61 4.080 4.080 4.432 -0.352 18429 7538 1 14 . 1 1 61 61 MET C C 61 178.545 178.545 178.715 -0.170 18429 7539 1 14 . 1 1 61 61 MET CA C 61 58.972 58.972 58.481 0.491 18429 7540 1 14 . 1 1 61 61 MET CB C 61 32.309 32.309 32.702 -0.393 18429 7541 1 14 . 1 1 61 61 MET H H 61 7.943 7.943 8.146 -0.203 18429 7542 1 14 . 1 1 62 62 TYR N N 62 119.118 119.118 120.840 -1.722 18429 7543 1 14 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.185 -0.025 18429 7544 1 14 . 1 1 62 62 TYR C C 62 176.118 176.118 176.246 -0.128 18429 7545 1 14 . 1 1 62 62 TYR CA C 62 60.251 60.251 61.273 -1.022 18429 7546 1 14 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.275 0.114 18429 7547 1 14 . 1 1 62 62 TYR H H 62 8.313 8.313 8.136 0.177 18429 7548 1 14 . 1 1 63 63 LYS N N 63 117.899 117.899 116.956 0.943 18429 7549 1 14 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.852 -0.056 18429 7550 1 14 . 1 1 63 63 LYS C C 63 178.470 178.470 178.384 0.086 18429 7551 1 14 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.187 0.615 18429 7552 1 14 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.177 -0.159 18429 7553 1 14 . 1 1 63 63 LYS H H 63 7.806 7.806 7.585 0.221 18429 7554 1 14 . 1 1 64 64 ASP N N 64 116.931 116.931 119.900 -2.969 18429 7555 1 14 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.408 0.077 18429 7556 1 14 . 1 1 64 64 ASP C C 64 176.460 176.460 176.263 0.197 18429 7557 1 14 . 1 1 64 64 ASP CA C 64 55.640 55.640 56.778 -1.138 18429 7558 1 14 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.275 -0.079 18429 7559 1 14 . 1 1 64 64 ASP H H 64 7.771 7.771 7.637 0.134 18429 7560 1 14 . 1 1 65 65 ALA N N 65 121.417 121.417 119.598 1.819 18429 7561 1 14 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.621 -0.029 18429 7562 1 14 . 1 1 65 65 ALA C C 65 180.460 180.460 174.390 6.070 18429 7563 1 14 . 1 1 65 65 ALA CA C 65 50.223 50.223 50.152 0.071 18429 7564 1 14 . 1 1 65 65 ALA CB C 65 18.275 18.275 20.038 -1.763 18429 7565 1 14 . 1 1 65 65 ALA H H 65 7.536 7.536 7.362 0.174 18429 7566 1 14 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.145 -0.173 18429 7567 1 14 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.361 1.698 18429 7568 1 14 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.221 1.156 18429 7569 1 14 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.708 -0.258 18429 7570 1 14 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.643 3.699 18429 7571 1 14 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.345 2.238 18429 7572 1 14 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.951 0.336 18429 7573 1 14 . 1 1 68 68 ALA C C 68 180.039 180.039 178.469 1.570 18429 7574 1 14 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.387 0.571 18429 7575 1 14 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.631 1.206 18429 7576 1 14 . 1 1 69 69 VAL N N 69 119.699 119.699 116.998 2.701 18429 7577 1 14 . 1 1 69 69 VAL HA H 69 3.809 3.809 4.053 -0.244 18429 7578 1 14 . 1 1 69 69 VAL C C 69 178.578 178.578 177.779 0.799 18429 7579 1 14 . 1 1 69 69 VAL CA C 69 65.910 65.910 64.623 1.287 18429 7580 1 14 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.459 -0.138 18429 7581 1 14 . 1 1 69 69 VAL H H 69 7.968 7.968 8.165 -0.197 18429 7582 1 14 . 1 1 70 70 MET N N 70 119.158 119.158 119.748 -0.590 18429 7583 1 14 . 1 1 70 70 MET HA H 70 4.411 4.411 4.230 0.181 18429 7584 1 14 . 1 1 70 70 MET C C 70 177.858 177.858 177.619 0.239 18429 7585 1 14 . 1 1 70 70 MET CA C 70 56.540 56.540 58.096 -1.556 18429 7586 1 14 . 1 1 70 70 MET CB C 70 31.927 31.927 31.736 0.191 18429 7587 1 14 . 1 1 70 70 MET H H 70 8.195 8.195 8.314 -0.119 18429 7588 1 14 . 1 1 71 71 GLU N N 71 119.109 119.109 118.943 0.166 18429 7589 1 14 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.709 -0.187 18429 7590 1 14 . 1 1 71 71 GLU C C 71 178.949 178.949 178.742 0.207 18429 7591 1 14 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.282 0.519 18429 7592 1 14 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.011 0.676 18429 7593 1 14 . 1 1 71 71 GLU H H 71 8.122 8.122 7.874 0.248 18429 7594 1 14 . 1 1 72 72 GLN N N 72 118.471 118.471 118.992 -0.521 18429 7595 1 14 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.030 0.092 18429 7596 1 14 . 1 1 72 72 GLN C C 72 178.597 178.597 178.602 -0.005 18429 7597 1 14 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.668 -0.153 18429 7598 1 14 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.720 -0.609 18429 7599 1 14 . 1 1 72 72 GLN H H 72 7.662 7.662 7.556 0.106 18429 7600 1 14 . 1 1 73 73 LEU N N 73 120.880 120.880 119.845 1.035 18429 7601 1 14 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.051 -0.007 18429 7602 1 14 . 1 1 73 73 LEU C C 73 178.992 178.992 179.280 -0.288 18429 7603 1 14 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.663 0.384 18429 7604 1 14 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.630 -0.253 18429 7605 1 14 . 1 1 73 73 LEU H H 73 8.170 8.170 7.517 0.653 18429 7606 1 14 . 1 1 74 74 LEU N N 74 119.628 119.628 118.521 1.107 18429 7607 1 14 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.837 0.115 18429 7608 1 14 . 1 1 74 74 LEU C C 74 179.088 179.088 179.290 -0.202 18429 7609 1 14 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.452 -0.678 18429 7610 1 14 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.264 -0.196 18429 7611 1 14 . 1 1 74 74 LEU H H 74 8.396 8.396 7.598 0.798 18429 7612 1 14 . 1 1 75 75 GLU N N 75 119.588 119.588 119.733 -0.145 18429 7613 1 14 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.812 0.233 18429 7614 1 14 . 1 1 75 75 GLU C C 75 179.772 179.772 178.712 1.060 18429 7615 1 14 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.848 -0.587 18429 7616 1 14 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.552 -0.685 18429 7617 1 14 . 1 1 75 75 GLU H H 75 7.622 7.622 8.285 -0.663 18429 7618 1 14 . 1 1 76 76 GLU N N 76 118.750 118.750 118.528 0.222 18429 7619 1 14 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.103 -0.014 18429 7620 1 14 . 1 1 76 76 GLU C C 76 180.103 180.103 179.534 0.569 18429 7621 1 14 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.081 0.028 18429 7622 1 14 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.630 -0.265 18429 7623 1 14 . 1 1 76 76 GLU H H 76 8.127 8.127 7.957 0.170 18429 7624 1 14 . 1 1 77 77 ILE N N 77 121.044 121.044 119.123 1.921 18429 7625 1 14 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.717 0.107 18429 7626 1 14 . 1 1 77 77 ILE C C 77 177.219 177.219 177.619 -0.400 18429 7627 1 14 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.254 -0.708 18429 7628 1 14 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.784 -0.637 18429 7629 1 14 . 1 1 77 77 ILE H H 77 8.715 8.715 7.587 1.128 18429 7630 1 14 . 1 1 78 78 GLU N N 78 121.847 121.847 121.534 0.313 18429 7631 1 14 . 1 1 78 78 GLU HA H 78 4.042 4.042 4.059 -0.017 18429 7632 1 14 . 1 1 78 78 GLU C C 78 179.644 179.644 178.895 0.749 18429 7633 1 14 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.853 -0.367 18429 7634 1 14 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.376 -0.390 18429 7635 1 14 . 1 1 78 78 GLU H H 78 8.161 8.161 7.822 0.339 18429 7636 1 14 . 1 1 79 79 LYS N N 79 118.842 118.842 119.782 -0.940 18429 7637 1 14 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.051 -0.089 18429 7638 1 14 . 1 1 79 79 LYS C C 79 179.729 179.729 179.277 0.452 18429 7639 1 14 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.835 0.906 18429 7640 1 14 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.036 0.394 18429 7641 1 14 . 1 1 79 79 LYS H H 79 7.756 7.756 7.954 -0.198 18429 7642 1 14 . 1 1 80 80 LEU N N 80 120.440 120.440 120.339 0.101 18429 7643 1 14 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.077 -0.024 18429 7644 1 14 . 1 1 80 80 LEU C C 80 178.939 178.939 178.411 0.528 18429 7645 1 14 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.669 0.286 18429 7646 1 14 . 1 1 80 80 LEU CB C 80 41.676 41.676 42.054 -0.378 18429 7647 1 14 . 1 1 80 80 LEU H H 80 7.805 7.805 7.614 0.191 18429 7648 1 14 . 1 1 81 81 LEU N N 81 119.519 119.519 118.840 0.679 18429 7649 1 14 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.992 -0.037 18429 7650 1 14 . 1 1 81 81 LEU C C 81 179.366 179.366 177.643 1.723 18429 7651 1 14 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.241 0.535 18429 7652 1 14 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.484 0.133 18429 7653 1 14 . 1 1 81 81 LEU H H 81 8.423 8.423 7.899 0.523 18429 7654 1 14 . 1 1 82 82 LYS N N 82 119.070 119.070 117.293 1.777 18429 7655 1 14 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.011 0.120 18429 7656 1 14 . 1 1 82 82 LYS C C 82 179.237 179.237 178.376 0.861 18429 7657 1 14 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.237 0.635 18429 7658 1 14 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.160 0.052 18429 7659 1 14 . 1 1 82 82 LYS H H 82 7.804 7.804 7.563 0.241 18429 7660 1 14 . 1 1 83 83 LYS N N 83 119.647 119.647 117.196 2.451 18429 7661 1 14 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.174 0.067 18429 7662 1 14 . 1 1 83 83 LYS C C 83 178.234 178.234 177.015 1.219 18429 7663 1 14 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.234 0.094 18429 7664 1 14 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.663 -0.474 18429 7665 1 14 . 1 1 83 83 LYS H H 83 7.737 7.737 7.570 0.167 18429 7666 1 14 . 1 1 84 84 ALA N N 84 122.121 122.121 122.843 -0.722 18429 7667 1 14 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.248 -0.178 18429 7668 1 14 . 1 1 84 84 ALA C C 84 179.003 179.003 176.845 2.158 18429 7669 1 14 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.678 1.244 18429 7670 1 14 . 1 1 84 84 ALA CB C 84 18.175 18.175 17.885 0.290 18429 7671 1 14 . 1 1 84 84 ALA H H 84 8.259 8.259 7.617 0.642 18429 7672 1 14 . 1 1 85 85 GLY N N 85 105.518 105.518 110.916 -5.398 18429 7673 1 14 . 1 1 85 85 GLY C C 85 174.759 174.759 172.410 2.349 18429 7674 1 14 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.127 0.610 18429 7675 1 14 . 1 1 85 85 GLY H H 85 8.191 8.191 7.611 0.580 18429 7676 1 14 . 1 1 86 86 SER N N 86 114.680 114.680 114.416 0.264 18429 7677 1 14 . 1 1 86 86 SER HA H 86 4.512 4.512 4.532 -0.020 18429 7678 1 14 . 1 1 86 86 SER C C 86 174.452 174.452 173.709 0.743 18429 7679 1 14 . 1 1 86 86 SER CA C 86 58.641 58.641 57.661 0.980 18429 7680 1 14 . 1 1 86 86 SER CB C 86 63.751 63.751 65.146 -1.395 18429 7681 1 14 . 1 1 86 86 SER H H 86 7.884 7.884 8.150 -0.266 18429 7682 1 14 . 1 1 87 87 LEU N N 87 122.300 122.300 121.941 0.359 18429 7683 1 14 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.038 0.294 18429 7684 1 14 . 1 1 87 87 LEU C C 87 176.845 176.845 175.018 1.827 18429 7685 1 14 . 1 1 87 87 LEU CA C 87 54.992 54.992 56.229 -1.237 18429 7686 1 14 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.667 0.257 18429 7687 1 14 . 1 1 87 87 LEU H H 87 7.806 7.806 8.792 -0.986 18429 7688 1 14 . 1 1 88 88 VAL N N 88 120.869 120.869 116.034 4.835 18429 7689 1 14 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.420 -0.033 18429 7690 1 14 . 1 1 88 88 VAL C C 88 174.367 174.367 174.660 -0.293 18429 7691 1 14 . 1 1 88 88 VAL CA C 88 59.756 59.756 58.600 1.156 18429 7692 1 14 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.257 0.121 18429 7693 1 14 . 1 1 88 88 VAL H H 88 7.849 7.849 7.561 0.288 18429 7694 1 14 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.636 -0.224 18429 7695 1 14 . 1 1 89 89 PRO C C 89 176.898 176.898 176.737 0.161 18429 7696 1 14 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.716 0.213 18429 7697 1 14 . 1 1 89 89 PRO CB C 89 31.926 31.926 31.988 -0.062 18429 7698 1 14 . 1 1 90 90 ARG N N 90 121.893 121.893 124.387 -2.494 18429 7699 1 14 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.155 0.136 18429 7700 1 14 . 1 1 90 90 ARG C C 90 177.081 177.081 177.030 0.051 18429 7701 1 14 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.267 0.059 18429 7702 1 14 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.296 0.258 18429 7703 1 14 . 1 1 90 90 ARG H H 90 8.528 8.528 8.448 0.080 18429 7704 1 14 . 1 1 91 91 GLY N N 91 109.932 109.932 106.729 3.203 18429 7705 1 14 . 1 1 91 91 GLY C C 91 174.324 174.324 174.314 0.010 18429 7706 1 14 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.661 0.632 18429 7707 1 14 . 1 1 91 91 GLY H H 91 8.551 8.551 8.705 -0.154 18429 7708 1 14 . 1 1 92 92 SER N N 92 115.612 115.612 116.403 -0.791 18429 7709 1 14 . 1 1 92 92 SER HA H 92 4.407 4.407 4.520 -0.113 18429 7710 1 14 . 1 1 92 92 SER C C 92 174.463 174.463 173.703 0.760 18429 7711 1 14 . 1 1 92 92 SER CA C 92 58.310 58.310 58.283 0.027 18429 7712 1 14 . 1 1 92 92 SER CB C 92 63.616 63.616 62.564 1.052 18429 7713 1 14 . 1 1 92 92 SER H H 92 8.183 8.183 7.839 0.344 18429 7714 1 14 . 1 1 93 93 TYR N N 93 122.140 122.140 123.571 -1.431 18429 7715 1 14 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.427 0.079 18429 7716 1 14 . 1 1 93 93 TYR C C 93 175.659 175.659 177.251 -1.592 18429 7717 1 14 . 1 1 93 93 TYR CA C 93 58.105 58.105 59.846 -1.740 18429 7718 1 14 . 1 1 93 93 TYR CB C 93 38.291 38.291 39.134 -0.843 18429 7719 1 14 . 1 1 93 93 TYR H H 93 8.206 8.206 7.774 0.432 18429 7720 1 14 . 1 1 94 94 LEU N N 94 123.025 123.025 114.310 8.715 18429 7721 1 14 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.711 -0.512 18429 7722 1 14 . 1 1 94 94 LEU C C 94 177.037 177.037 176.103 0.934 18429 7723 1 14 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.712 0.232 18429 7724 1 14 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.857 -0.691 18429 7725 1 14 . 1 1 94 94 LEU H H 94 8.007 8.007 7.960 0.047 18429 7726 1 14 . 1 1 95 95 GLU N N 95 120.848 120.848 122.420 -1.572 18429 7727 1 14 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.521 -0.405 18429 7728 1 14 . 1 1 95 95 GLU C C 95 176.268 176.268 175.083 1.185 18429 7729 1 14 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.507 0.206 18429 7730 1 14 . 1 1 95 95 GLU CB C 95 30.046 30.046 30.306 -0.260 18429 7731 1 14 . 1 1 95 95 GLU H H 95 8.141 8.141 7.973 0.168 18429 7732 1 14 . 1 1 96 96 HIS N N 96 119.288 119.288 124.746 -5.458 18429 7733 1 14 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.918 -0.348 18429 7734 1 14 . 1 1 96 96 HIS C C 96 174.100 174.100 173.937 0.163 18429 7735 1 14 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.079 -0.240 18429 7736 1 14 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.385 0.019 18429 7737 1 14 . 1 1 96 96 HIS H H 96 8.144 8.144 8.590 -0.446 18429 7738 1 14 . 1 1 97 97 HIS N N 97 125.622 125.622 126.472 -0.850 18429 7739 1 14 . 1 1 97 97 HIS C C 97 179.480 179.480 174.331 5.149 18429 7740 1 14 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.325 2.122 18429 7741 1 14 . 1 1 97 97 HIS CB C 97 30.754 30.754 30.654 0.100 18429 7742 1 14 . 1 1 97 97 HIS H H 97 8.017 8.017 8.476 -0.459 18429 7743 1 15 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.545 -0.229 18429 7744 1 15 . 1 1 2 2 GLN C C 2 177.028 177.028 175.529 1.499 18429 7745 1 15 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.068 0.732 18429 7746 1 15 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.731 -0.847 18429 7747 1 15 . 1 1 3 3 GLU N N 3 123.654 123.654 123.017 0.637 18429 7748 1 15 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.323 -0.246 18429 7749 1 15 . 1 1 3 3 GLU C C 3 177.945 177.945 175.602 2.343 18429 7750 1 15 . 1 1 3 3 GLU CA C 3 59.110 59.110 55.699 3.411 18429 7751 1 15 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.157 1.186 18429 7752 1 15 . 1 1 3 3 GLU H H 3 8.995 8.995 8.323 0.672 18429 7753 1 15 . 1 1 4 4 GLU N N 4 119.237 119.237 119.797 -0.560 18429 7754 1 15 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.885 0.184 18429 7755 1 15 . 1 1 4 4 GLU C C 4 178.815 178.815 176.905 1.910 18429 7756 1 15 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.900 1.252 18429 7757 1 15 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.562 -0.344 18429 7758 1 15 . 1 1 4 4 GLU H H 4 8.837 8.837 8.019 0.818 18429 7759 1 15 . 1 1 5 5 ARG N N 5 120.052 120.052 117.470 2.582 18429 7760 1 15 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.022 -0.071 18429 7761 1 15 . 1 1 5 5 ARG C C 5 177.324 177.324 177.844 -0.520 18429 7762 1 15 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.291 0.950 18429 7763 1 15 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.479 0.502 18429 7764 1 15 . 1 1 5 5 ARG H H 5 7.884 7.884 8.448 -0.564 18429 7765 1 15 . 1 1 6 6 LYS N N 6 119.327 119.327 118.703 0.624 18429 7766 1 15 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.041 -0.061 18429 7767 1 15 . 1 1 6 6 LYS C C 6 178.939 178.939 179.010 -0.071 18429 7768 1 15 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.353 -0.021 18429 7769 1 15 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.615 0.539 18429 7770 1 15 . 1 1 6 6 LYS H H 6 7.998 7.998 8.448 -0.450 18429 7771 1 15 . 1 1 7 7 LYS N N 7 117.908 117.908 119.170 -1.262 18429 7772 1 15 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.069 0.027 18429 7773 1 15 . 1 1 7 7 LYS C C 7 179.332 179.332 179.378 -0.046 18429 7774 1 15 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.699 0.068 18429 7775 1 15 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.798 0.499 18429 7776 1 15 . 1 1 7 7 LYS H H 7 7.917 7.917 7.613 0.304 18429 7777 1 15 . 1 1 8 8 LEU N N 8 120.724 120.724 118.940 1.784 18429 7778 1 15 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.068 -0.019 18429 7779 1 15 . 1 1 8 8 LEU C C 8 178.490 178.490 178.802 -0.312 18429 7780 1 15 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.092 -0.403 18429 7781 1 15 . 1 1 8 8 LEU CB C 8 41.605 41.605 40.720 0.885 18429 7782 1 15 . 1 1 8 8 LEU H H 8 7.686 7.686 7.519 0.167 18429 7783 1 15 . 1 1 9 9 LEU N N 9 118.886 118.886 116.908 1.978 18429 7784 1 15 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.098 -0.160 18429 7785 1 15 . 1 1 9 9 LEU C C 9 178.981 178.981 178.792 0.189 18429 7786 1 15 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.955 0.003 18429 7787 1 15 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.880 -0.038 18429 7788 1 15 . 1 1 9 9 LEU H H 9 8.158 8.158 7.381 0.777 18429 7789 1 15 . 1 1 10 10 GLU N N 10 119.000 119.000 120.416 -1.416 18429 7790 1 15 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.891 0.161 18429 7791 1 15 . 1 1 10 10 GLU C C 10 179.601 179.601 179.091 0.510 18429 7792 1 15 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.573 -0.295 18429 7793 1 15 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.323 -0.037 18429 7794 1 15 . 1 1 10 10 GLU H H 10 8.069 8.069 8.695 -0.626 18429 7795 1 15 . 1 1 11 11 LYS N N 11 119.446 119.446 119.317 0.129 18429 7796 1 15 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.022 0.061 18429 7797 1 15 . 1 1 11 11 LYS C C 11 178.971 178.971 178.502 0.469 18429 7798 1 15 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.271 -0.499 18429 7799 1 15 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.378 -0.382 18429 7800 1 15 . 1 1 11 11 LYS H H 11 7.676 7.676 7.410 0.266 18429 7801 1 15 . 1 1 12 12 LEU N N 12 120.017 120.017 121.050 -1.033 18429 7802 1 15 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.890 -0.006 18429 7803 1 15 . 1 1 12 12 LEU C C 12 177.977 177.977 178.428 -0.451 18429 7804 1 15 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.114 -0.390 18429 7805 1 15 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.886 -0.310 18429 7806 1 15 . 1 1 12 12 LEU H H 12 8.378 8.378 7.698 0.680 18429 7807 1 15 . 1 1 13 13 GLU N N 13 117.914 117.914 117.882 0.032 18429 7808 1 15 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.801 -0.105 18429 7809 1 15 . 1 1 13 13 GLU C C 13 177.934 177.934 178.991 -1.057 18429 7810 1 15 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.560 0.556 18429 7811 1 15 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.130 0.268 18429 7812 1 15 . 1 1 13 13 GLU H H 13 8.458 8.458 8.376 0.082 18429 7813 1 15 . 1 1 14 14 LYS N N 14 117.629 117.629 120.767 -3.138 18429 7814 1 15 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.030 0.105 18429 7815 1 15 . 1 1 14 14 LYS C C 14 179.227 179.227 178.908 0.319 18429 7816 1 15 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.340 -0.474 18429 7817 1 15 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.348 -0.221 18429 7818 1 15 . 1 1 14 14 LYS H H 14 7.365 7.365 7.569 -0.204 18429 7819 1 15 . 1 1 15 15 ILE N N 15 119.583 119.583 120.452 -0.869 18429 7820 1 15 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.666 0.111 18429 7821 1 15 . 1 1 15 15 ILE C C 15 178.009 178.009 178.200 -0.191 18429 7822 1 15 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.148 -0.259 18429 7823 1 15 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.853 0.347 18429 7824 1 15 . 1 1 15 15 ILE H H 15 7.726 7.726 7.872 -0.146 18429 7825 1 15 . 1 1 16 16 LEU N N 16 118.601 118.601 119.361 -0.760 18429 7826 1 15 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.790 0.063 18429 7827 1 15 . 1 1 16 16 LEU C C 16 179.729 179.729 179.006 0.723 18429 7828 1 15 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.174 -0.332 18429 7829 1 15 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.727 -0.090 18429 7830 1 15 . 1 1 16 16 LEU H H 16 8.372 8.372 8.086 0.286 18429 7831 1 15 . 1 1 17 17 ASP N N 17 120.008 120.008 119.399 0.609 18429 7832 1 15 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.379 -0.043 18429 7833 1 15 . 1 1 17 17 ASP C C 17 178.148 178.148 178.743 -0.595 18429 7834 1 15 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.250 0.039 18429 7835 1 15 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.123 -0.855 18429 7836 1 15 . 1 1 17 17 ASP H H 17 8.192 8.192 8.013 0.179 18429 7837 1 15 . 1 1 18 18 GLU N N 18 119.362 119.362 119.169 0.193 18429 7838 1 15 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.108 0.043 18429 7839 1 15 . 1 1 18 18 GLU C C 18 179.653 179.653 179.195 0.458 18429 7840 1 15 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.802 0.453 18429 7841 1 15 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.804 -0.604 18429 7842 1 15 . 1 1 18 18 GLU H H 18 7.860 7.860 7.774 0.086 18429 7843 1 15 . 1 1 19 19 VAL N N 19 118.483 118.483 119.368 -0.885 18429 7844 1 15 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.796 0.030 18429 7845 1 15 . 1 1 19 19 VAL C C 19 177.496 177.496 176.994 0.502 18429 7846 1 15 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.253 -1.356 18429 7847 1 15 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.129 -0.320 18429 7848 1 15 . 1 1 19 19 VAL H H 19 8.416 8.416 8.172 0.244 18429 7849 1 15 . 1 1 20 20 THR N N 20 112.904 112.904 110.887 2.017 18429 7850 1 15 . 1 1 20 20 THR HA H 20 3.856 3.856 4.099 -0.243 18429 7851 1 15 . 1 1 20 20 THR C C 20 175.894 175.894 177.237 -1.343 18429 7852 1 15 . 1 1 20 20 THR CA C 20 65.696 65.696 65.335 0.361 18429 7853 1 15 . 1 1 20 20 THR CB C 20 68.587 68.587 68.828 -0.241 18429 7854 1 15 . 1 1 20 20 THR H H 20 7.985 7.985 7.689 0.296 18429 7855 1 15 . 1 1 21 21 ASP N N 21 120.510 120.510 122.321 -1.811 18429 7856 1 15 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.462 -0.019 18429 7857 1 15 . 1 1 21 21 ASP C C 21 177.358 177.358 177.455 -0.097 18429 7858 1 15 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.295 0.073 18429 7859 1 15 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.923 -0.050 18429 7860 1 15 . 1 1 21 21 ASP H H 21 7.935 7.935 8.122 -0.187 18429 7861 1 15 . 1 1 22 22 GLY N N 22 106.730 106.730 107.345 -0.615 18429 7862 1 15 . 1 1 22 22 GLY C C 22 174.004 174.004 173.913 0.091 18429 7863 1 15 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.403 0.424 18429 7864 1 15 . 1 1 22 22 GLY H H 22 7.939 7.939 7.797 0.142 18429 7865 1 15 . 1 1 23 23 ALA N N 23 124.286 124.286 123.886 0.400 18429 7866 1 15 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.598 -0.090 18429 7867 1 15 . 1 1 23 23 ALA C C 23 174.921 174.921 176.812 -1.891 18429 7868 1 15 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.779 0.572 18429 7869 1 15 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.781 -1.277 18429 7870 1 15 . 1 1 23 23 ALA H H 23 7.531 7.531 7.076 0.455 18429 7871 1 15 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.499 0.064 18429 7872 1 15 . 1 1 24 24 PRO C C 24 177.571 177.571 176.327 1.244 18429 7873 1 15 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.747 -0.257 18429 7874 1 15 . 1 1 24 24 PRO CB C 24 32.098 32.098 29.654 2.444 18429 7875 1 15 . 1 1 25 25 ASP N N 25 122.828 122.828 120.125 2.703 18429 7876 1 15 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.104 0.151 18429 7877 1 15 . 1 1 25 25 ASP C C 25 178.298 178.298 177.630 0.668 18429 7878 1 15 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.849 0.214 18429 7879 1 15 . 1 1 25 25 ASP CB C 25 40.517 40.517 39.614 0.903 18429 7880 1 15 . 1 1 25 25 ASP H H 25 8.779 8.779 8.371 0.408 18429 7881 1 15 . 1 1 26 26 GLU N N 26 117.055 117.055 121.269 -4.214 18429 7882 1 15 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.038 0.097 18429 7883 1 15 . 1 1 26 26 GLU C C 26 177.454 177.454 178.151 -0.697 18429 7884 1 15 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.603 0.621 18429 7885 1 15 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.478 -0.924 18429 7886 1 15 . 1 1 26 26 GLU H H 26 9.324 9.324 8.353 0.971 18429 7887 1 15 . 1 1 27 27 ALA N N 27 120.789 120.789 121.657 -0.868 18429 7888 1 15 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.229 0.182 18429 7889 1 15 . 1 1 27 27 ALA C C 27 178.065 178.065 178.857 -0.792 18429 7890 1 15 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.491 -0.612 18429 7891 1 15 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.567 1.329 18429 7892 1 15 . 1 1 27 27 ALA H H 27 7.474 7.474 7.802 -0.328 18429 7893 1 15 . 1 1 28 28 ARG N N 28 118.872 118.872 118.896 -0.024 18429 7894 1 15 . 1 1 28 28 ARG HA H 28 3.675 3.675 4.004 -0.329 18429 7895 1 15 . 1 1 28 28 ARG C C 28 177.550 177.550 177.821 -0.271 18429 7896 1 15 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.470 1.132 18429 7897 1 15 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.354 -0.810 18429 7898 1 15 . 1 1 28 28 ARG H H 28 7.803 7.803 7.753 0.050 18429 7899 1 15 . 1 1 29 29 GLU N N 29 117.512 117.512 118.745 -1.233 18429 7900 1 15 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.022 0.020 18429 7901 1 15 . 1 1 29 29 GLU C C 29 179.122 179.122 179.157 -0.035 18429 7902 1 15 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.321 0.286 18429 7903 1 15 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.029 0.212 18429 7904 1 15 . 1 1 29 29 GLU H H 29 8.490 8.490 7.855 0.635 18429 7905 1 15 . 1 1 30 30 ARG N N 30 119.240 119.240 118.411 0.829 18429 7906 1 15 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.117 0.017 18429 7907 1 15 . 1 1 30 30 ARG C C 30 179.248 179.248 178.613 0.635 18429 7908 1 15 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.112 0.717 18429 7909 1 15 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.683 0.182 18429 7910 1 15 . 1 1 30 30 ARG H H 30 7.789 7.789 7.525 0.264 18429 7911 1 15 . 1 1 31 31 ILE N N 31 120.920 120.920 120.241 0.679 18429 7912 1 15 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.803 -0.065 18429 7913 1 15 . 1 1 31 31 ILE C C 31 177.089 177.089 178.355 -1.266 18429 7914 1 15 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.185 -1.367 18429 7915 1 15 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.535 -0.450 18429 7916 1 15 . 1 1 31 31 ILE H H 31 8.256 8.256 7.418 0.838 18429 7917 1 15 . 1 1 32 32 GLU N N 32 120.281 120.281 119.765 0.516 18429 7918 1 15 . 1 1 32 32 GLU HA H 32 3.936 3.936 4.025 -0.089 18429 7919 1 15 . 1 1 32 32 GLU C C 32 179.429 179.429 179.235 0.194 18429 7920 1 15 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.380 0.179 18429 7921 1 15 . 1 1 32 32 GLU CB C 32 29.403 29.403 28.929 0.474 18429 7922 1 15 . 1 1 32 32 GLU H H 32 8.697 8.697 8.316 0.381 18429 7923 1 15 . 1 1 33 33 LYS N N 33 119.737 119.737 119.847 -0.110 18429 7924 1 15 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.158 -0.100 18429 7925 1 15 . 1 1 33 33 LYS C C 33 178.159 178.159 179.071 -0.912 18429 7926 1 15 . 1 1 33 33 LYS CA C 33 59.411 59.411 58.319 1.091 18429 7927 1 15 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.255 -0.205 18429 7928 1 15 . 1 1 33 33 LYS H H 33 7.764 7.764 7.409 0.355 18429 7929 1 15 . 1 1 34 34 LEU N N 34 120.133 120.133 120.598 -0.465 18429 7930 1 15 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.512 -0.280 18429 7931 1 15 . 1 1 34 34 LEU C C 34 178.629 178.629 178.783 -0.154 18429 7932 1 15 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.450 0.057 18429 7933 1 15 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.725 0.072 18429 7934 1 15 . 1 1 34 34 LEU H H 34 7.790 7.790 7.930 -0.140 18429 7935 1 15 . 1 1 35 35 ALA N N 35 119.492 119.492 121.275 -1.783 18429 7936 1 15 . 1 1 35 35 ALA HA H 35 3.768 3.768 4.011 -0.243 18429 7937 1 15 . 1 1 35 35 ALA C C 35 179.297 179.297 179.383 -0.086 18429 7938 1 15 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.500 -0.477 18429 7939 1 15 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.114 0.077 18429 7940 1 15 . 1 1 35 35 ALA H H 35 8.634 8.634 8.178 0.456 18429 7941 1 15 . 1 1 36 36 LYS N N 36 118.470 118.470 118.231 0.239 18429 7942 1 15 . 1 1 36 36 LYS HA H 36 3.931 3.931 4.066 -0.135 18429 7943 1 15 . 1 1 36 36 LYS C C 36 178.223 178.223 178.521 -0.298 18429 7944 1 15 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.281 -0.085 18429 7945 1 15 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.169 -0.114 18429 7946 1 15 . 1 1 36 36 LYS H H 36 7.704 7.704 7.591 0.113 18429 7947 1 15 . 1 1 37 37 ASP N N 37 120.075 120.075 119.778 0.297 18429 7948 1 15 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.423 -0.020 18429 7949 1 15 . 1 1 37 37 ASP C C 37 179.334 179.334 178.543 0.791 18429 7950 1 15 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.658 -0.478 18429 7951 1 15 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.891 -0.914 18429 7952 1 15 . 1 1 37 37 ASP H H 37 8.203 8.203 7.912 0.291 18429 7953 1 15 . 1 1 38 38 VAL N N 38 118.202 118.202 119.603 -1.401 18429 7954 1 15 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.624 -0.001 18429 7955 1 15 . 1 1 38 38 VAL C C 38 177.017 177.017 177.745 -0.728 18429 7956 1 15 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.062 -0.394 18429 7957 1 15 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.000 0.237 18429 7958 1 15 . 1 1 38 38 VAL H H 38 8.215 8.215 8.097 0.118 18429 7959 1 15 . 1 1 39 39 LYS N N 39 119.236 119.236 120.021 -0.785 18429 7960 1 15 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.995 -0.185 18429 7961 1 15 . 1 1 39 39 LYS C C 39 178.575 178.575 179.350 -0.775 18429 7962 1 15 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.489 0.224 18429 7963 1 15 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.755 0.336 18429 7964 1 15 . 1 1 39 39 LYS H H 39 7.780 7.780 7.621 0.159 18429 7965 1 15 . 1 1 40 40 ASP N N 40 118.227 118.227 118.269 -0.042 18429 7966 1 15 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.450 0.002 18429 7967 1 15 . 1 1 40 40 ASP C C 40 178.137 178.137 178.378 -0.241 18429 7968 1 15 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.752 -1.329 18429 7969 1 15 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.502 -0.092 18429 7970 1 15 . 1 1 40 40 ASP H H 40 8.273 8.273 7.689 0.584 18429 7971 1 15 . 1 1 41 41 GLU N N 41 119.896 119.896 119.551 0.345 18429 7972 1 15 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.224 0.007 18429 7973 1 15 . 1 1 41 41 GLU C C 41 177.849 177.849 178.847 -0.998 18429 7974 1 15 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.559 -1.174 18429 7975 1 15 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.492 0.239 18429 7976 1 15 . 1 1 41 41 GLU H H 41 7.875 7.875 7.639 0.236 18429 7977 1 15 . 1 1 42 42 LEU N N 42 119.906 119.906 119.243 0.663 18429 7978 1 15 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.097 0.027 18429 7979 1 15 . 1 1 42 42 LEU C C 42 178.276 178.276 178.616 -0.340 18429 7980 1 15 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.210 -0.497 18429 7981 1 15 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.868 0.280 18429 7982 1 15 . 1 1 42 42 LEU H H 42 7.952 7.952 8.042 -0.090 18429 7983 1 15 . 1 1 43 43 GLU N N 43 117.735 117.735 117.100 0.635 18429 7984 1 15 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.273 -0.138 18429 7985 1 15 . 1 1 43 43 GLU C C 43 177.582 177.582 177.345 0.237 18429 7986 1 15 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.496 0.308 18429 7987 1 15 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.599 -1.028 18429 7988 1 15 . 1 1 43 43 GLU H H 43 8.020 8.020 7.741 0.279 18429 7989 1 15 . 1 1 44 44 GLU N N 44 116.308 116.308 114.431 1.877 18429 7990 1 15 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.513 -0.097 18429 7991 1 15 . 1 1 44 44 GLU C C 44 177.133 177.133 176.987 0.146 18429 7992 1 15 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.350 0.098 18429 7993 1 15 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.448 -0.334 18429 7994 1 15 . 1 1 44 44 GLU H H 44 8.128 8.128 8.169 -0.041 18429 7995 1 15 . 1 1 45 45 GLY N N 45 109.450 109.450 110.315 -0.865 18429 7996 1 15 . 1 1 45 45 GLY C C 45 173.685 173.685 172.927 0.758 18429 7997 1 15 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.366 1.008 18429 7998 1 15 . 1 1 45 45 GLY H H 45 8.156 8.156 7.530 0.626 18429 7999 1 15 . 1 1 46 46 ASP N N 46 120.995 120.995 120.461 0.534 18429 8000 1 15 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.760 -0.072 18429 8001 1 15 . 1 1 46 46 ASP C C 46 176.375 176.375 175.909 0.466 18429 8002 1 15 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.173 0.452 18429 8003 1 15 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.773 -0.566 18429 8004 1 15 . 1 1 46 46 ASP H H 46 8.467 8.467 8.298 0.169 18429 8005 1 15 . 1 1 47 47 ALA N N 47 124.626 124.626 129.057 -4.431 18429 8006 1 15 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.049 0.074 18429 8007 1 15 . 1 1 47 47 ALA C C 47 178.084 178.084 178.337 -0.253 18429 8008 1 15 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.550 -0.609 18429 8009 1 15 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.044 -0.060 18429 8010 1 15 . 1 1 47 47 ALA H H 47 8.483 8.483 8.654 -0.171 18429 8011 1 15 . 1 1 48 48 LYS N N 48 118.214 118.214 119.663 -1.449 18429 8012 1 15 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.936 -0.135 18429 8013 1 15 . 1 1 48 48 LYS C C 48 177.582 177.582 177.998 -0.416 18429 8014 1 15 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.479 0.633 18429 8015 1 15 . 1 1 48 48 LYS CB C 48 32.160 32.160 31.958 0.202 18429 8016 1 15 . 1 1 48 48 LYS H H 48 8.349 8.349 8.089 0.260 18429 8017 1 15 . 1 1 49 49 ASN N N 49 116.387 116.387 117.406 -1.019 18429 8018 1 15 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.742 -0.234 18429 8019 1 15 . 1 1 49 49 ASN C C 49 177.753 177.753 177.638 0.115 18429 8020 1 15 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.714 0.267 18429 8021 1 15 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.595 -0.230 18429 8022 1 15 . 1 1 49 49 ASN H H 49 8.184 8.184 8.178 0.006 18429 8023 1 15 . 1 1 50 50 MET N N 50 118.627 118.627 118.260 0.367 18429 8024 1 15 . 1 1 50 50 MET HA H 50 4.335 4.335 4.310 0.025 18429 8025 1 15 . 1 1 50 50 MET C C 50 178.683 178.683 178.891 -0.208 18429 8026 1 15 . 1 1 50 50 MET CA C 50 57.203 57.203 57.373 -0.170 18429 8027 1 15 . 1 1 50 50 MET CB C 50 32.289 32.289 31.738 0.551 18429 8028 1 15 . 1 1 50 50 MET H H 50 8.189 8.189 7.476 0.713 18429 8029 1 15 . 1 1 51 51 ILE N N 51 120.778 120.778 120.030 0.748 18429 8030 1 15 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.714 -0.021 18429 8031 1 15 . 1 1 51 51 ILE C C 51 177.667 177.667 177.755 -0.088 18429 8032 1 15 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.592 -0.228 18429 8033 1 15 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.282 0.002 18429 8034 1 15 . 1 1 51 51 ILE H H 51 8.475 8.475 7.865 0.610 18429 8035 1 15 . 1 1 52 52 GLU N N 52 120.715 120.715 119.757 0.958 18429 8036 1 15 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.087 -0.248 18429 8037 1 15 . 1 1 52 52 GLU C C 52 178.201 178.201 179.122 -0.921 18429 8038 1 15 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.265 0.862 18429 8039 1 15 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.159 0.087 18429 8040 1 15 . 1 1 52 52 GLU H H 52 8.372 8.372 7.840 0.532 18429 8041 1 15 . 1 1 53 53 LYS N N 53 118.426 118.426 119.662 -1.236 18429 8042 1 15 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.151 -0.021 18429 8043 1 15 . 1 1 53 53 LYS C C 53 179.163 179.163 178.713 0.450 18429 8044 1 15 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.299 0.788 18429 8045 1 15 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.124 0.026 18429 8046 1 15 . 1 1 53 53 LYS H H 53 7.766 7.766 8.129 -0.363 18429 8047 1 15 . 1 1 54 54 PHE N N 54 120.522 120.522 121.151 -0.629 18429 8048 1 15 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.205 -0.103 18429 8049 1 15 . 1 1 54 54 PHE C C 54 176.920 176.920 176.896 0.024 18429 8050 1 15 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.828 -0.291 18429 8051 1 15 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.288 0.124 18429 8052 1 15 . 1 1 54 54 PHE H H 54 7.990 7.990 8.370 -0.380 18429 8053 1 15 . 1 1 55 55 ARG N N 55 120.870 120.870 119.193 1.677 18429 8054 1 15 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.937 -0.111 18429 8055 1 15 . 1 1 55 55 ARG C C 55 178.383 178.383 178.220 0.163 18429 8056 1 15 . 1 1 55 55 ARG CA C 55 59.960 59.960 58.759 1.201 18429 8057 1 15 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.430 2.685 18429 8058 1 15 . 1 1 55 55 ARG H H 55 8.774 8.774 8.260 0.514 18429 8059 1 15 . 1 1 56 56 ASP N N 56 119.776 119.776 118.405 1.371 18429 8060 1 15 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.382 -0.055 18429 8061 1 15 . 1 1 56 56 ASP C C 56 179.398 179.398 178.115 1.283 18429 8062 1 15 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.791 -0.235 18429 8063 1 15 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.784 -0.967 18429 8064 1 15 . 1 1 56 56 ASP H H 56 8.491 8.491 7.815 0.676 18429 8065 1 15 . 1 1 57 57 GLU N N 57 120.418 120.418 119.987 0.431 18429 8066 1 15 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.987 0.066 18429 8067 1 15 . 1 1 57 57 GLU C C 57 179.708 179.708 178.585 1.123 18429 8068 1 15 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.900 -0.006 18429 8069 1 15 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.391 -0.015 18429 8070 1 15 . 1 1 57 57 GLU H H 57 7.894 7.894 7.651 0.243 18429 8071 1 15 . 1 1 58 58 MET N N 58 119.674 119.674 119.001 0.673 18429 8072 1 15 . 1 1 58 58 MET HA H 58 4.090 4.090 3.966 0.124 18429 8073 1 15 . 1 1 58 58 MET C C 58 178.137 178.137 178.339 -0.202 18429 8074 1 15 . 1 1 58 58 MET CA C 58 58.568 58.568 57.958 0.610 18429 8075 1 15 . 1 1 58 58 MET CB C 58 31.846 31.846 32.212 -0.366 18429 8076 1 15 . 1 1 58 58 MET H H 58 8.352 8.352 7.966 0.386 18429 8077 1 15 . 1 1 59 59 GLU N N 59 119.770 119.770 118.375 1.395 18429 8078 1 15 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.073 -0.123 18429 8079 1 15 . 1 1 59 59 GLU C C 59 178.939 178.939 178.735 0.204 18429 8080 1 15 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.163 0.581 18429 8081 1 15 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.510 -0.333 18429 8082 1 15 . 1 1 59 59 GLU H H 59 8.717 8.717 8.127 0.590 18429 8083 1 15 . 1 1 60 60 GLN N N 60 117.895 117.895 120.202 -2.307 18429 8084 1 15 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.053 -0.082 18429 8085 1 15 . 1 1 60 60 GLN C C 60 178.052 178.052 178.687 -0.635 18429 8086 1 15 . 1 1 60 60 GLN CA C 60 58.254 58.254 59.120 -0.865 18429 8087 1 15 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.762 -0.644 18429 8088 1 15 . 1 1 60 60 GLN H H 60 7.613 7.613 7.784 -0.171 18429 8089 1 15 . 1 1 61 61 MET N N 61 118.464 118.464 116.138 2.326 18429 8090 1 15 . 1 1 61 61 MET HA H 61 4.080 4.080 4.269 -0.189 18429 8091 1 15 . 1 1 61 61 MET C C 61 178.545 178.545 178.421 0.124 18429 8092 1 15 . 1 1 61 61 MET CA C 61 58.972 58.972 58.285 0.687 18429 8093 1 15 . 1 1 61 61 MET CB C 61 32.309 32.309 32.539 -0.230 18429 8094 1 15 . 1 1 61 61 MET H H 61 7.943 7.943 7.970 -0.027 18429 8095 1 15 . 1 1 62 62 TYR N N 62 119.118 119.118 123.275 -4.157 18429 8096 1 15 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.434 -0.274 18429 8097 1 15 . 1 1 62 62 TYR C C 62 176.118 176.118 176.877 -0.759 18429 8098 1 15 . 1 1 62 62 TYR CA C 62 60.251 60.251 61.179 -0.928 18429 8099 1 15 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.593 -0.204 18429 8100 1 15 . 1 1 62 62 TYR H H 62 8.313 8.313 7.864 0.449 18429 8101 1 15 . 1 1 63 63 LYS N N 63 117.899 117.899 117.919 -0.020 18429 8102 1 15 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.829 -0.033 18429 8103 1 15 . 1 1 63 63 LYS C C 63 178.470 178.470 177.705 0.765 18429 8104 1 15 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.634 0.168 18429 8105 1 15 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.247 -0.229 18429 8106 1 15 . 1 1 63 63 LYS H H 63 7.806 7.806 7.983 -0.177 18429 8107 1 15 . 1 1 64 64 ASP N N 64 116.931 116.931 118.150 -1.219 18429 8108 1 15 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.530 -0.045 18429 8109 1 15 . 1 1 64 64 ASP C C 64 176.460 176.460 175.674 0.786 18429 8110 1 15 . 1 1 64 64 ASP CA C 64 55.640 55.640 54.793 0.847 18429 8111 1 15 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.876 -0.680 18429 8112 1 15 . 1 1 64 64 ASP H H 64 7.771 7.771 7.756 0.015 18429 8113 1 15 . 1 1 65 65 ALA N N 65 121.417 121.417 121.748 -0.331 18429 8114 1 15 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.688 -0.096 18429 8115 1 15 . 1 1 65 65 ALA C C 65 180.460 180.460 174.598 5.862 18429 8116 1 15 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.493 0.730 18429 8117 1 15 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.457 -1.182 18429 8118 1 15 . 1 1 65 65 ALA H H 65 7.536 7.536 7.307 0.229 18429 8119 1 15 . 1 1 66 66 PRO HA H 66 3.972 3.972 3.859 0.113 18429 8120 1 15 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.372 1.687 18429 8121 1 15 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.684 0.693 18429 8122 1 15 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.943 -0.493 18429 8123 1 15 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.302 4.040 18429 8124 1 15 . 1 1 67 67 ASN CB C 67 40.583 40.583 41.745 -1.162 18429 8125 1 15 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.138 0.149 18429 8126 1 15 . 1 1 68 68 ALA C C 68 180.039 180.039 179.142 0.897 18429 8127 1 15 . 1 1 68 68 ALA CA C 68 54.958 54.958 55.145 -0.187 18429 8128 1 15 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.649 0.188 18429 8129 1 15 . 1 1 69 69 VAL N N 69 119.699 119.699 118.555 1.144 18429 8130 1 15 . 1 1 69 69 VAL HA H 69 3.809 3.809 4.132 -0.323 18429 8131 1 15 . 1 1 69 69 VAL C C 69 178.578 178.578 178.754 -0.176 18429 8132 1 15 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.438 0.472 18429 8133 1 15 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.575 -0.254 18429 8134 1 15 . 1 1 69 69 VAL H H 69 7.968 7.968 8.165 -0.197 18429 8135 1 15 . 1 1 70 70 MET N N 70 119.158 119.158 118.658 0.500 18429 8136 1 15 . 1 1 70 70 MET HA H 70 4.411 4.411 4.108 0.303 18429 8137 1 15 . 1 1 70 70 MET C C 70 177.858 177.858 177.671 0.187 18429 8138 1 15 . 1 1 70 70 MET CA C 70 56.540 56.540 58.364 -1.824 18429 8139 1 15 . 1 1 70 70 MET CB C 70 31.927 31.927 32.238 -0.311 18429 8140 1 15 . 1 1 70 70 MET H H 70 8.195 8.195 8.047 0.148 18429 8141 1 15 . 1 1 71 71 GLU N N 71 119.109 119.109 119.160 -0.051 18429 8142 1 15 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.452 0.070 18429 8143 1 15 . 1 1 71 71 GLU C C 71 178.949 178.949 178.367 0.582 18429 8144 1 15 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.079 0.722 18429 8145 1 15 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.173 0.514 18429 8146 1 15 . 1 1 71 71 GLU H H 71 8.122 8.122 7.997 0.126 18429 8147 1 15 . 1 1 72 72 GLN N N 72 118.471 118.471 118.659 -0.188 18429 8148 1 15 . 1 1 72 72 GLN HA H 72 4.122 4.122 3.961 0.161 18429 8149 1 15 . 1 1 72 72 GLN C C 72 178.597 178.597 178.322 0.275 18429 8150 1 15 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.687 -0.172 18429 8151 1 15 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.477 -0.366 18429 8152 1 15 . 1 1 72 72 GLN H H 72 7.662 7.662 7.458 0.204 18429 8153 1 15 . 1 1 73 73 LEU N N 73 120.880 120.880 119.454 1.426 18429 8154 1 15 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.105 -0.061 18429 8155 1 15 . 1 1 73 73 LEU C C 73 178.992 178.992 179.042 -0.050 18429 8156 1 15 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.209 0.838 18429 8157 1 15 . 1 1 73 73 LEU CB C 73 41.377 41.377 40.677 0.700 18429 8158 1 15 . 1 1 73 73 LEU H H 73 8.170 8.170 7.455 0.715 18429 8159 1 15 . 1 1 74 74 LEU N N 74 119.628 119.628 119.859 -0.231 18429 8160 1 15 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.821 0.131 18429 8161 1 15 . 1 1 74 74 LEU C C 74 179.088 179.088 178.972 0.116 18429 8162 1 15 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.792 -1.018 18429 8163 1 15 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.153 -0.086 18429 8164 1 15 . 1 1 74 74 LEU H H 74 8.396 8.396 7.543 0.853 18429 8165 1 15 . 1 1 75 75 GLU N N 75 119.588 119.588 118.327 1.261 18429 8166 1 15 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.943 0.102 18429 8167 1 15 . 1 1 75 75 GLU C C 75 179.772 179.772 179.426 0.346 18429 8168 1 15 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.385 -0.124 18429 8169 1 15 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.246 -0.379 18429 8170 1 15 . 1 1 75 75 GLU H H 75 7.622 7.622 8.005 -0.383 18429 8171 1 15 . 1 1 76 76 GLU N N 76 118.750 118.750 119.090 -0.340 18429 8172 1 15 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.091 -0.002 18429 8173 1 15 . 1 1 76 76 GLU C C 76 180.103 180.103 179.051 1.052 18429 8174 1 15 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.001 0.109 18429 8175 1 15 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.585 -0.221 18429 8176 1 15 . 1 1 76 76 GLU H H 76 8.127 8.127 7.582 0.545 18429 8177 1 15 . 1 1 77 77 ILE N N 77 121.044 121.044 119.784 1.260 18429 8178 1 15 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.607 0.217 18429 8179 1 15 . 1 1 77 77 ILE C C 77 177.219 177.219 177.911 -0.692 18429 8180 1 15 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.557 -1.011 18429 8181 1 15 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.609 -0.462 18429 8182 1 15 . 1 1 77 77 ILE H H 77 8.715 8.715 7.962 0.753 18429 8183 1 15 . 1 1 78 78 GLU N N 78 121.847 121.847 120.409 1.438 18429 8184 1 15 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.908 0.134 18429 8185 1 15 . 1 1 78 78 GLU C C 78 179.644 179.644 178.729 0.915 18429 8186 1 15 . 1 1 78 78 GLU CA C 78 59.486 59.486 60.143 -0.657 18429 8187 1 15 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.345 -0.359 18429 8188 1 15 . 1 1 78 78 GLU H H 78 8.161 8.161 8.201 -0.040 18429 8189 1 15 . 1 1 79 79 LYS N N 79 118.842 118.842 118.962 -0.120 18429 8190 1 15 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.115 -0.153 18429 8191 1 15 . 1 1 79 79 LYS C C 79 179.729 179.729 179.319 0.410 18429 8192 1 15 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.960 0.781 18429 8193 1 15 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.403 0.027 18429 8194 1 15 . 1 1 79 79 LYS H H 79 7.756 7.756 7.523 0.233 18429 8195 1 15 . 1 1 80 80 LEU N N 80 120.440 120.440 120.024 0.416 18429 8196 1 15 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.115 -0.062 18429 8197 1 15 . 1 1 80 80 LEU C C 80 178.939 178.939 179.265 -0.326 18429 8198 1 15 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.596 0.359 18429 8199 1 15 . 1 1 80 80 LEU CB C 80 41.676 41.676 40.813 0.863 18429 8200 1 15 . 1 1 80 80 LEU H H 80 7.805 7.805 7.723 0.082 18429 8201 1 15 . 1 1 81 81 LEU N N 81 119.519 119.519 120.706 -1.187 18429 8202 1 15 . 1 1 81 81 LEU HA H 81 3.955 3.955 4.108 -0.153 18429 8203 1 15 . 1 1 81 81 LEU C C 81 179.366 179.366 178.512 0.854 18429 8204 1 15 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.759 0.017 18429 8205 1 15 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.982 -0.365 18429 8206 1 15 . 1 1 81 81 LEU H H 81 8.423 8.423 8.080 0.343 18429 8207 1 15 . 1 1 82 82 LYS N N 82 119.070 119.070 118.064 1.006 18429 8208 1 15 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.063 0.068 18429 8209 1 15 . 1 1 82 82 LYS C C 82 179.237 179.237 178.277 0.960 18429 8210 1 15 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.810 0.062 18429 8211 1 15 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.604 -0.392 18429 8212 1 15 . 1 1 82 82 LYS H H 82 7.804 7.804 7.601 0.203 18429 8213 1 15 . 1 1 83 83 LYS N N 83 119.647 119.647 117.333 2.314 18429 8214 1 15 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.162 0.079 18429 8215 1 15 . 1 1 83 83 LYS C C 83 178.234 178.234 177.033 1.201 18429 8216 1 15 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.732 -0.404 18429 8217 1 15 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.761 -0.572 18429 8218 1 15 . 1 1 83 83 LYS H H 83 7.737 7.737 7.875 -0.138 18429 8219 1 15 . 1 1 84 84 ALA N N 84 122.121 122.121 120.968 1.153 18429 8220 1 15 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.548 -0.478 18429 8221 1 15 . 1 1 84 84 ALA C C 84 179.003 179.003 177.465 1.538 18429 8222 1 15 . 1 1 84 84 ALA CA C 84 53.922 53.922 51.209 2.713 18429 8223 1 15 . 1 1 84 84 ALA CB C 84 18.175 18.175 18.877 -0.702 18429 8224 1 15 . 1 1 84 84 ALA H H 84 8.259 8.259 7.463 0.796 18429 8225 1 15 . 1 1 85 85 GLY N N 85 105.518 105.518 113.288 -7.770 18429 8226 1 15 . 1 1 85 85 GLY C C 85 174.759 174.759 174.835 -0.076 18429 8227 1 15 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.744 -0.007 18429 8228 1 15 . 1 1 85 85 GLY H H 85 8.191 8.191 8.677 -0.486 18429 8229 1 15 . 1 1 86 86 SER N N 86 114.680 114.680 117.094 -2.414 18429 8230 1 15 . 1 1 86 86 SER HA H 86 4.512 4.512 4.106 0.406 18429 8231 1 15 . 1 1 86 86 SER C C 86 174.452 174.452 175.454 -1.002 18429 8232 1 15 . 1 1 86 86 SER CA C 86 58.641 58.641 59.702 -1.061 18429 8233 1 15 . 1 1 86 86 SER CB C 86 63.751 63.751 63.126 0.625 18429 8234 1 15 . 1 1 86 86 SER H H 86 7.884 7.884 8.202 -0.318 18429 8235 1 15 . 1 1 87 87 LEU N N 87 122.300 122.300 119.092 3.208 18429 8236 1 15 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.046 0.286 18429 8237 1 15 . 1 1 87 87 LEU C C 87 176.845 176.845 175.615 1.230 18429 8238 1 15 . 1 1 87 87 LEU CA C 87 54.992 54.992 56.340 -1.348 18429 8239 1 15 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.199 0.725 18429 8240 1 15 . 1 1 87 87 LEU H H 87 7.806 7.806 8.615 -0.809 18429 8241 1 15 . 1 1 88 88 VAL N N 88 120.869 120.869 121.334 -0.465 18429 8242 1 15 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.407 -0.020 18429 8243 1 15 . 1 1 88 88 VAL C C 88 174.367 174.367 174.524 -0.157 18429 8244 1 15 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.082 -0.326 18429 8245 1 15 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.554 -0.176 18429 8246 1 15 . 1 1 88 88 VAL H H 88 7.849 7.849 7.619 0.230 18429 8247 1 15 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.538 -0.126 18429 8248 1 15 . 1 1 89 89 PRO C C 89 176.898 176.898 176.321 0.577 18429 8249 1 15 . 1 1 89 89 PRO CA C 89 62.929 62.929 63.116 -0.187 18429 8250 1 15 . 1 1 89 89 PRO CB C 89 31.926 31.926 30.770 1.156 18429 8251 1 15 . 1 1 90 90 ARG N N 90 121.893 121.893 124.537 -2.644 18429 8252 1 15 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.497 -0.206 18429 8253 1 15 . 1 1 90 90 ARG C C 90 177.081 177.081 176.373 0.708 18429 8254 1 15 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.147 0.178 18429 8255 1 15 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.277 0.277 18429 8256 1 15 . 1 1 90 90 ARG H H 90 8.528 8.528 8.396 0.132 18429 8257 1 15 . 1 1 91 91 GLY N N 91 109.932 109.932 110.918 -0.986 18429 8258 1 15 . 1 1 91 91 GLY C C 91 174.324 174.324 174.272 0.052 18429 8259 1 15 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.965 0.328 18429 8260 1 15 . 1 1 91 91 GLY H H 91 8.551 8.551 8.279 0.272 18429 8261 1 15 . 1 1 92 92 SER N N 92 115.612 115.612 113.455 2.157 18429 8262 1 15 . 1 1 92 92 SER HA H 92 4.407 4.407 4.228 0.179 18429 8263 1 15 . 1 1 92 92 SER C C 92 174.463 174.463 173.358 1.105 18429 8264 1 15 . 1 1 92 92 SER CA C 92 58.310 58.310 58.776 -0.466 18429 8265 1 15 . 1 1 92 92 SER CB C 92 63.616 63.616 62.941 0.675 18429 8266 1 15 . 1 1 92 92 SER H H 92 8.183 8.183 8.410 -0.227 18429 8267 1 15 . 1 1 93 93 TYR N N 93 122.140 122.140 121.559 0.581 18429 8268 1 15 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.540 -0.034 18429 8269 1 15 . 1 1 93 93 TYR C C 93 175.659 175.659 174.872 0.787 18429 8270 1 15 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.886 0.219 18429 8271 1 15 . 1 1 93 93 TYR CB C 93 38.291 38.291 39.111 -0.820 18429 8272 1 15 . 1 1 93 93 TYR H H 93 8.206 8.206 7.600 0.606 18429 8273 1 15 . 1 1 94 94 LEU N N 94 123.025 123.025 128.883 -5.858 18429 8274 1 15 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.473 -0.274 18429 8275 1 15 . 1 1 94 94 LEU C C 94 177.037 177.037 175.367 1.670 18429 8276 1 15 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.265 0.680 18429 8277 1 15 . 1 1 94 94 LEU CB C 94 42.166 42.166 44.060 -1.894 18429 8278 1 15 . 1 1 94 94 LEU H H 94 8.007 8.007 7.936 0.071 18429 8279 1 15 . 1 1 95 95 GLU N N 95 120.848 120.848 127.131 -6.283 18429 8280 1 15 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.187 -0.071 18429 8281 1 15 . 1 1 95 95 GLU C C 95 176.268 176.268 175.613 0.655 18429 8282 1 15 . 1 1 95 95 GLU CA C 95 56.713 56.713 55.902 0.811 18429 8283 1 15 . 1 1 95 95 GLU CB C 95 30.046 30.046 28.729 1.317 18429 8284 1 15 . 1 1 95 95 GLU H H 95 8.141 8.141 8.653 -0.512 18429 8285 1 15 . 1 1 96 96 HIS N N 96 119.288 119.288 124.076 -4.788 18429 8286 1 15 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.556 0.014 18429 8287 1 15 . 1 1 96 96 HIS C C 96 174.100 174.100 174.803 -0.703 18429 8288 1 15 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.125 -0.286 18429 8289 1 15 . 1 1 96 96 HIS CB C 96 30.404 30.404 29.708 0.696 18429 8290 1 15 . 1 1 96 96 HIS H H 96 8.144 8.144 8.414 -0.270 18429 8291 1 15 . 1 1 97 97 HIS N N 97 125.622 125.622 127.972 -2.350 18429 8292 1 15 . 1 1 97 97 HIS C C 97 179.480 179.480 173.897 5.583 18429 8293 1 15 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.305 2.142 18429 8294 1 15 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.270 1.484 18429 8295 1 15 . 1 1 97 97 HIS H H 97 8.017 8.017 8.682 -0.665 18429 8296 1 16 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.549 -0.233 18429 8297 1 16 . 1 1 2 2 GLN C C 2 177.028 177.028 175.964 1.064 18429 8298 1 16 . 1 1 2 2 GLN CA C 2 56.800 56.800 55.166 1.634 18429 8299 1 16 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.992 -1.108 18429 8300 1 16 . 1 1 3 3 GLU N N 3 123.654 123.654 121.135 2.519 18429 8301 1 16 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.002 0.075 18429 8302 1 16 . 1 1 3 3 GLU C C 3 177.945 177.945 178.506 -0.561 18429 8303 1 16 . 1 1 3 3 GLU CA C 3 59.110 59.110 58.481 0.629 18429 8304 1 16 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.641 -0.298 18429 8305 1 16 . 1 1 3 3 GLU H H 3 8.995 8.995 9.024 -0.029 18429 8306 1 16 . 1 1 4 4 GLU N N 4 119.237 119.237 119.112 0.125 18429 8307 1 16 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.018 0.051 18429 8308 1 16 . 1 1 4 4 GLU C C 4 178.815 178.815 178.990 -0.175 18429 8309 1 16 . 1 1 4 4 GLU CA C 4 59.152 59.152 59.373 -0.221 18429 8310 1 16 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.169 0.049 18429 8311 1 16 . 1 1 4 4 GLU H H 4 8.837 8.837 8.703 0.134 18429 8312 1 16 . 1 1 5 5 ARG N N 5 120.052 120.052 119.619 0.433 18429 8313 1 16 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.126 -0.175 18429 8314 1 16 . 1 1 5 5 ARG C C 5 177.324 177.324 178.399 -1.075 18429 8315 1 16 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.564 0.677 18429 8316 1 16 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.307 -0.326 18429 8317 1 16 . 1 1 5 5 ARG H H 5 7.884 7.884 7.789 0.095 18429 8318 1 16 . 1 1 6 6 LYS N N 6 119.327 119.327 119.962 -0.635 18429 8319 1 16 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.104 -0.124 18429 8320 1 16 . 1 1 6 6 LYS C C 6 178.939 178.939 179.093 -0.154 18429 8321 1 16 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.674 0.658 18429 8322 1 16 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.995 0.159 18429 8323 1 16 . 1 1 6 6 LYS H H 6 7.998 7.998 7.600 0.398 18429 8324 1 16 . 1 1 7 7 LYS N N 7 117.908 117.908 118.894 -0.986 18429 8325 1 16 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.105 -0.009 18429 8326 1 16 . 1 1 7 7 LYS C C 7 179.332 179.332 178.678 0.654 18429 8327 1 16 . 1 1 7 7 LYS CA C 7 58.767 58.767 59.178 -0.411 18429 8328 1 16 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.408 -0.111 18429 8329 1 16 . 1 1 7 7 LYS H H 7 7.917 7.917 7.897 0.020 18429 8330 1 16 . 1 1 8 8 LEU N N 8 120.724 120.724 121.489 -0.765 18429 8331 1 16 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.062 -0.013 18429 8332 1 16 . 1 1 8 8 LEU C C 8 178.490 178.490 178.312 0.178 18429 8333 1 16 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.614 0.075 18429 8334 1 16 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.902 -0.297 18429 8335 1 16 . 1 1 8 8 LEU H H 8 7.686 7.686 7.363 0.323 18429 8336 1 16 . 1 1 9 9 LEU N N 9 118.886 118.886 117.274 1.612 18429 8337 1 16 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.938 0.000 18429 8338 1 16 . 1 1 9 9 LEU C C 9 178.981 178.981 178.886 0.095 18429 8339 1 16 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.196 0.762 18429 8340 1 16 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.399 -0.557 18429 8341 1 16 . 1 1 9 9 LEU H H 9 8.158 8.158 8.024 0.134 18429 8342 1 16 . 1 1 10 10 GLU N N 10 119.000 119.000 120.270 -1.270 18429 8343 1 16 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.266 -0.214 18429 8344 1 16 . 1 1 10 10 GLU C C 10 179.601 179.601 178.642 0.959 18429 8345 1 16 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.005 0.272 18429 8346 1 16 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.487 -0.201 18429 8347 1 16 . 1 1 10 10 GLU H H 10 8.069 8.069 7.873 0.196 18429 8348 1 16 . 1 1 11 11 LYS N N 11 119.446 119.446 119.173 0.273 18429 8349 1 16 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.067 0.016 18429 8350 1 16 . 1 1 11 11 LYS C C 11 178.971 178.971 178.639 0.332 18429 8351 1 16 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.119 -0.347 18429 8352 1 16 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.248 -0.253 18429 8353 1 16 . 1 1 11 11 LYS H H 11 7.676 7.676 7.593 0.083 18429 8354 1 16 . 1 1 12 12 LEU N N 12 120.017 120.017 118.561 1.456 18429 8355 1 16 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.921 -0.037 18429 8356 1 16 . 1 1 12 12 LEU C C 12 177.977 177.977 179.210 -1.233 18429 8357 1 16 . 1 1 12 12 LEU CA C 12 57.725 57.725 57.851 -0.126 18429 8358 1 16 . 1 1 12 12 LEU CB C 12 41.577 41.577 40.687 0.890 18429 8359 1 16 . 1 1 12 12 LEU H H 12 8.378 8.378 7.514 0.864 18429 8360 1 16 . 1 1 13 13 GLU N N 13 117.914 117.914 118.568 -0.654 18429 8361 1 16 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.945 -0.249 18429 8362 1 16 . 1 1 13 13 GLU C C 13 177.934 177.934 178.883 -0.949 18429 8363 1 16 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.681 0.435 18429 8364 1 16 . 1 1 13 13 GLU CB C 13 29.398 29.398 28.866 0.532 18429 8365 1 16 . 1 1 13 13 GLU H H 13 8.458 8.458 7.815 0.643 18429 8366 1 16 . 1 1 14 14 LYS N N 14 117.629 117.629 120.192 -2.563 18429 8367 1 16 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.054 0.081 18429 8368 1 16 . 1 1 14 14 LYS C C 14 179.227 179.227 179.054 0.173 18429 8369 1 16 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.338 -0.472 18429 8370 1 16 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.437 -0.310 18429 8371 1 16 . 1 1 14 14 LYS H H 14 7.365 7.365 7.315 0.050 18429 8372 1 16 . 1 1 15 15 ILE N N 15 119.583 119.583 120.377 -0.794 18429 8373 1 16 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.684 0.093 18429 8374 1 16 . 1 1 15 15 ILE C C 15 178.009 178.009 178.043 -0.034 18429 8375 1 16 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.209 -0.320 18429 8376 1 16 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.962 0.239 18429 8377 1 16 . 1 1 15 15 ILE H H 15 7.726 7.726 8.011 -0.285 18429 8378 1 16 . 1 1 16 16 LEU N N 16 118.601 118.601 118.671 -0.070 18429 8379 1 16 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.884 -0.031 18429 8380 1 16 . 1 1 16 16 LEU C C 16 179.729 179.729 179.155 0.574 18429 8381 1 16 . 1 1 16 16 LEU CA C 16 57.842 57.842 57.716 0.126 18429 8382 1 16 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.797 -0.160 18429 8383 1 16 . 1 1 16 16 LEU H H 16 8.372 8.372 7.792 0.581 18429 8384 1 16 . 1 1 17 17 ASP N N 17 120.008 120.008 119.443 0.565 18429 8385 1 16 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.453 -0.117 18429 8386 1 16 . 1 1 17 17 ASP C C 17 178.148 178.148 178.285 -0.137 18429 8387 1 16 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.349 -0.060 18429 8388 1 16 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.446 -1.178 18429 8389 1 16 . 1 1 17 17 ASP H H 17 8.192 8.192 8.009 0.183 18429 8390 1 16 . 1 1 18 18 GLU N N 18 119.362 119.362 119.754 -0.392 18429 8391 1 16 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.416 -0.265 18429 8392 1 16 . 1 1 18 18 GLU C C 18 179.653 179.653 179.177 0.476 18429 8393 1 16 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.369 0.886 18429 8394 1 16 . 1 1 18 18 GLU CB C 18 29.200 29.200 30.127 -0.927 18429 8395 1 16 . 1 1 18 18 GLU H H 18 7.860 7.860 7.776 0.084 18429 8396 1 16 . 1 1 19 19 VAL N N 19 118.483 118.483 119.592 -1.109 18429 8397 1 16 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.890 -0.064 18429 8398 1 16 . 1 1 19 19 VAL C C 19 177.496 177.496 176.574 0.922 18429 8399 1 16 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.834 -0.937 18429 8400 1 16 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.049 -0.240 18429 8401 1 16 . 1 1 19 19 VAL H H 19 8.416 8.416 8.263 0.153 18429 8402 1 16 . 1 1 20 20 THR N N 20 112.904 112.904 111.293 1.611 18429 8403 1 16 . 1 1 20 20 THR HA H 20 3.856 3.856 4.073 -0.217 18429 8404 1 16 . 1 1 20 20 THR C C 20 175.894 175.894 176.053 -0.159 18429 8405 1 16 . 1 1 20 20 THR CA C 20 65.696 65.696 65.790 -0.094 18429 8406 1 16 . 1 1 20 20 THR CB C 20 68.587 68.587 68.339 0.248 18429 8407 1 16 . 1 1 20 20 THR H H 20 7.985 7.985 7.892 0.093 18429 8408 1 16 . 1 1 21 21 ASP N N 21 120.510 120.510 121.332 -0.822 18429 8409 1 16 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.440 0.003 18429 8410 1 16 . 1 1 21 21 ASP C C 21 177.358 177.358 177.837 -0.479 18429 8411 1 16 . 1 1 21 21 ASP CA C 21 56.368 56.368 57.596 -1.228 18429 8412 1 16 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.464 0.409 18429 8413 1 16 . 1 1 21 21 ASP H H 21 7.935 7.935 8.060 -0.125 18429 8414 1 16 . 1 1 22 22 GLY N N 22 106.730 106.730 105.310 1.420 18429 8415 1 16 . 1 1 22 22 GLY C C 22 174.004 174.004 174.335 -0.331 18429 8416 1 16 . 1 1 22 22 GLY CA C 22 44.827 44.827 45.270 -0.443 18429 8417 1 16 . 1 1 22 22 GLY H H 22 7.939 7.939 7.676 0.263 18429 8418 1 16 . 1 1 23 23 ALA N N 23 124.286 124.286 124.640 -0.354 18429 8419 1 16 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.724 -0.216 18429 8420 1 16 . 1 1 23 23 ALA C C 23 174.921 174.921 175.208 -0.287 18429 8421 1 16 . 1 1 23 23 ALA CA C 23 50.351 50.351 48.801 1.550 18429 8422 1 16 . 1 1 23 23 ALA CB C 23 17.504 17.504 19.262 -1.758 18429 8423 1 16 . 1 1 23 23 ALA H H 23 7.531 7.531 7.494 0.037 18429 8424 1 16 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.436 0.127 18429 8425 1 16 . 1 1 24 24 PRO C C 24 177.571 177.571 176.830 0.741 18429 8426 1 16 . 1 1 24 24 PRO CA C 24 62.490 62.490 63.299 -0.809 18429 8427 1 16 . 1 1 24 24 PRO CB C 24 32.098 32.098 30.785 1.313 18429 8428 1 16 . 1 1 25 25 ASP N N 25 122.828 122.828 124.544 -1.716 18429 8429 1 16 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.054 0.201 18429 8430 1 16 . 1 1 25 25 ASP C C 25 178.298 178.298 177.394 0.904 18429 8431 1 16 . 1 1 25 25 ASP CA C 25 58.063 58.063 58.531 -0.468 18429 8432 1 16 . 1 1 25 25 ASP CB C 25 40.517 40.517 39.379 1.138 18429 8433 1 16 . 1 1 25 25 ASP H H 25 8.779 8.779 8.431 0.348 18429 8434 1 16 . 1 1 26 26 GLU N N 26 117.055 117.055 120.866 -3.811 18429 8435 1 16 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.206 -0.071 18429 8436 1 16 . 1 1 26 26 GLU C C 26 177.454 177.454 178.363 -0.909 18429 8437 1 16 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.418 0.806 18429 8438 1 16 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.576 -1.022 18429 8439 1 16 . 1 1 26 26 GLU H H 26 9.324 9.324 8.250 1.074 18429 8440 1 16 . 1 1 27 27 ALA N N 27 120.789 120.789 122.012 -1.223 18429 8441 1 16 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.157 0.254 18429 8442 1 16 . 1 1 27 27 ALA C C 27 178.065 178.065 178.909 -0.844 18429 8443 1 16 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.491 -1.612 18429 8444 1 16 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.783 1.113 18429 8445 1 16 . 1 1 27 27 ALA H H 27 7.474 7.474 7.810 -0.336 18429 8446 1 16 . 1 1 28 28 ARG N N 28 118.872 118.872 120.515 -1.643 18429 8447 1 16 . 1 1 28 28 ARG HA H 28 3.675 3.675 4.032 -0.357 18429 8448 1 16 . 1 1 28 28 ARG C C 28 177.550 177.550 178.082 -0.532 18429 8449 1 16 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.558 1.044 18429 8450 1 16 . 1 1 28 28 ARG CB C 28 29.544 29.544 29.918 -0.374 18429 8451 1 16 . 1 1 28 28 ARG H H 28 7.803 7.803 8.252 -0.449 18429 8452 1 16 . 1 1 29 29 GLU N N 29 117.512 117.512 117.362 0.150 18429 8453 1 16 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.241 -0.199 18429 8454 1 16 . 1 1 29 29 GLU C C 29 179.122 179.122 178.797 0.325 18429 8455 1 16 . 1 1 29 29 GLU CA C 29 59.607 59.607 58.700 0.907 18429 8456 1 16 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.862 0.379 18429 8457 1 16 . 1 1 29 29 GLU H H 29 8.490 8.490 8.078 0.412 18429 8458 1 16 . 1 1 30 30 ARG N N 30 119.240 119.240 120.766 -1.526 18429 8459 1 16 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.079 0.055 18429 8460 1 16 . 1 1 30 30 ARG C C 30 179.248 179.248 178.543 0.705 18429 8461 1 16 . 1 1 30 30 ARG CA C 30 58.829 58.829 59.156 -0.327 18429 8462 1 16 . 1 1 30 30 ARG CB C 30 29.865 29.865 30.169 -0.304 18429 8463 1 16 . 1 1 30 30 ARG H H 30 7.789 7.789 7.433 0.356 18429 8464 1 16 . 1 1 31 31 ILE N N 31 120.920 120.920 119.708 1.212 18429 8465 1 16 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.779 -0.041 18429 8466 1 16 . 1 1 31 31 ILE C C 31 177.089 177.089 178.031 -0.942 18429 8467 1 16 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.150 -1.332 18429 8468 1 16 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.904 -0.819 18429 8469 1 16 . 1 1 31 31 ILE H H 31 8.256 8.256 7.840 0.416 18429 8470 1 16 . 1 1 32 32 GLU N N 32 120.281 120.281 119.379 0.902 18429 8471 1 16 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.916 0.020 18429 8472 1 16 . 1 1 32 32 GLU C C 32 179.429 179.429 179.023 0.406 18429 8473 1 16 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.604 -0.045 18429 8474 1 16 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.205 0.198 18429 8475 1 16 . 1 1 32 32 GLU H H 32 8.697 8.697 8.362 0.335 18429 8476 1 16 . 1 1 33 33 LYS N N 33 119.737 119.737 119.762 -0.025 18429 8477 1 16 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.133 -0.075 18429 8478 1 16 . 1 1 33 33 LYS C C 33 178.159 178.159 178.959 -0.800 18429 8479 1 16 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.077 0.334 18429 8480 1 16 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.655 -0.605 18429 8481 1 16 . 1 1 33 33 LYS H H 33 7.764 7.764 7.507 0.257 18429 8482 1 16 . 1 1 34 34 LEU N N 34 120.133 120.133 120.464 -0.331 18429 8483 1 16 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.062 0.170 18429 8484 1 16 . 1 1 34 34 LEU C C 34 178.629 178.629 178.197 0.432 18429 8485 1 16 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.696 -0.189 18429 8486 1 16 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.931 -0.134 18429 8487 1 16 . 1 1 34 34 LEU H H 34 7.790 7.790 7.696 0.094 18429 8488 1 16 . 1 1 35 35 ALA N N 35 119.492 119.492 121.289 -1.797 18429 8489 1 16 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.892 -0.124 18429 8490 1 16 . 1 1 35 35 ALA C C 35 179.297 179.297 179.289 0.008 18429 8491 1 16 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.560 -0.537 18429 8492 1 16 . 1 1 35 35 ALA CB C 35 18.191 18.191 17.963 0.228 18429 8493 1 16 . 1 1 35 35 ALA H H 35 8.634 8.634 8.464 0.170 18429 8494 1 16 . 1 1 36 36 LYS N N 36 118.470 118.470 118.740 -0.270 18429 8495 1 16 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.967 -0.036 18429 8496 1 16 . 1 1 36 36 LYS C C 36 178.223 178.223 178.724 -0.501 18429 8497 1 16 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.597 -0.402 18429 8498 1 16 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.205 -0.150 18429 8499 1 16 . 1 1 36 36 LYS H H 36 7.704 7.704 7.910 -0.206 18429 8500 1 16 . 1 1 37 37 ASP N N 37 120.075 120.075 119.415 0.660 18429 8501 1 16 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.533 -0.130 18429 8502 1 16 . 1 1 37 37 ASP C C 37 179.334 179.334 178.896 0.438 18429 8503 1 16 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.846 -0.665 18429 8504 1 16 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.567 -0.590 18429 8505 1 16 . 1 1 37 37 ASP H H 37 8.203 8.203 7.669 0.534 18429 8506 1 16 . 1 1 38 38 VAL N N 38 118.202 118.202 119.297 -1.095 18429 8507 1 16 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.605 0.018 18429 8508 1 16 . 1 1 38 38 VAL C C 38 177.017 177.017 177.744 -0.727 18429 8509 1 16 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.125 -0.457 18429 8510 1 16 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.947 0.290 18429 8511 1 16 . 1 1 38 38 VAL H H 38 8.215 8.215 7.842 0.373 18429 8512 1 16 . 1 1 39 39 LYS N N 39 119.236 119.236 119.816 -0.580 18429 8513 1 16 . 1 1 39 39 LYS HA H 39 3.810 3.810 4.031 -0.221 18429 8514 1 16 . 1 1 39 39 LYS C C 39 178.575 178.575 179.230 -0.655 18429 8515 1 16 . 1 1 39 39 LYS CA C 39 59.713 59.713 58.832 0.881 18429 8516 1 16 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.528 0.563 18429 8517 1 16 . 1 1 39 39 LYS H H 39 7.780 7.780 7.800 -0.020 18429 8518 1 16 . 1 1 40 40 ASP N N 40 118.227 118.227 119.821 -1.594 18429 8519 1 16 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.409 0.043 18429 8520 1 16 . 1 1 40 40 ASP C C 40 178.137 178.137 178.627 -0.490 18429 8521 1 16 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.692 -1.269 18429 8522 1 16 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.483 -0.073 18429 8523 1 16 . 1 1 40 40 ASP H H 40 8.273 8.273 7.913 0.360 18429 8524 1 16 . 1 1 41 41 GLU N N 41 119.896 119.896 119.435 0.461 18429 8525 1 16 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.440 -0.209 18429 8526 1 16 . 1 1 41 41 GLU C C 41 177.849 177.849 179.164 -1.315 18429 8527 1 16 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.541 -0.156 18429 8528 1 16 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.444 0.287 18429 8529 1 16 . 1 1 41 41 GLU H H 41 7.875 7.875 7.709 0.166 18429 8530 1 16 . 1 1 42 42 LEU N N 42 119.906 119.906 119.654 0.252 18429 8531 1 16 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.063 0.061 18429 8532 1 16 . 1 1 42 42 LEU C C 42 178.276 178.276 178.702 -0.426 18429 8533 1 16 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.127 -0.414 18429 8534 1 16 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.864 0.284 18429 8535 1 16 . 1 1 42 42 LEU H H 42 7.952 7.952 8.126 -0.174 18429 8536 1 16 . 1 1 43 43 GLU N N 43 117.735 117.735 117.832 -0.097 18429 8537 1 16 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.198 -0.063 18429 8538 1 16 . 1 1 43 43 GLU C C 43 177.582 177.582 176.879 0.703 18429 8539 1 16 . 1 1 43 43 GLU CA C 43 58.804 58.804 57.976 0.828 18429 8540 1 16 . 1 1 43 43 GLU CB C 43 29.571 29.571 31.045 -1.474 18429 8541 1 16 . 1 1 43 43 GLU H H 43 8.020 8.020 7.548 0.472 18429 8542 1 16 . 1 1 44 44 GLU N N 44 116.308 116.308 116.593 -0.285 18429 8543 1 16 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.454 -0.038 18429 8544 1 16 . 1 1 44 44 GLU C C 44 177.133 177.133 175.659 1.474 18429 8545 1 16 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.030 0.418 18429 8546 1 16 . 1 1 44 44 GLU CB C 44 31.114 31.114 32.811 -1.697 18429 8547 1 16 . 1 1 44 44 GLU H H 44 8.128 8.128 8.147 -0.019 18429 8548 1 16 . 1 1 45 45 GLY N N 45 109.450 109.450 115.082 -5.632 18429 8549 1 16 . 1 1 45 45 GLY C C 45 173.685 173.685 172.808 0.877 18429 8550 1 16 . 1 1 45 45 GLY CA C 45 45.374 45.374 45.231 0.143 18429 8551 1 16 . 1 1 45 45 GLY H H 45 8.156 8.156 8.408 -0.252 18429 8552 1 16 . 1 1 46 46 ASP N N 46 120.995 120.995 122.722 -1.727 18429 8553 1 16 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.824 -0.136 18429 8554 1 16 . 1 1 46 46 ASP C C 46 176.375 176.375 175.586 0.789 18429 8555 1 16 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.008 -0.383 18429 8556 1 16 . 1 1 46 46 ASP CB C 46 41.207 41.207 42.131 -0.924 18429 8557 1 16 . 1 1 46 46 ASP H H 46 8.467 8.467 8.420 0.047 18429 8558 1 16 . 1 1 47 47 ALA N N 47 124.626 124.626 129.362 -4.736 18429 8559 1 16 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.062 0.061 18429 8560 1 16 . 1 1 47 47 ALA C C 47 178.084 178.084 178.562 -0.478 18429 8561 1 16 . 1 1 47 47 ALA CA C 47 53.941 53.941 55.008 -1.067 18429 8562 1 16 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.120 -0.136 18429 8563 1 16 . 1 1 47 47 ALA H H 47 8.483 8.483 8.687 -0.204 18429 8564 1 16 . 1 1 48 48 LYS N N 48 118.214 118.214 118.974 -0.760 18429 8565 1 16 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.925 -0.123 18429 8566 1 16 . 1 1 48 48 LYS C C 48 177.582 177.582 178.565 -0.983 18429 8567 1 16 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.575 0.537 18429 8568 1 16 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.203 -0.043 18429 8569 1 16 . 1 1 48 48 LYS H H 48 8.349 8.349 8.110 0.239 18429 8570 1 16 . 1 1 49 49 ASN N N 49 116.387 116.387 117.909 -1.522 18429 8571 1 16 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.452 0.056 18429 8572 1 16 . 1 1 49 49 ASN C C 49 177.753 177.753 177.709 0.044 18429 8573 1 16 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.089 -0.108 18429 8574 1 16 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.119 0.246 18429 8575 1 16 . 1 1 49 49 ASN H H 49 8.184 8.184 8.344 -0.160 18429 8576 1 16 . 1 1 50 50 MET N N 50 118.627 118.627 117.706 0.921 18429 8577 1 16 . 1 1 50 50 MET HA H 50 4.335 4.335 4.282 0.053 18429 8578 1 16 . 1 1 50 50 MET C C 50 178.683 178.683 178.979 -0.296 18429 8579 1 16 . 1 1 50 50 MET CA C 50 57.203 57.203 58.000 -0.797 18429 8580 1 16 . 1 1 50 50 MET CB C 50 32.289 32.289 31.969 0.320 18429 8581 1 16 . 1 1 50 50 MET H H 50 8.189 8.189 7.450 0.739 18429 8582 1 16 . 1 1 51 51 ILE N N 51 120.778 120.778 120.540 0.238 18429 8583 1 16 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.741 -0.048 18429 8584 1 16 . 1 1 51 51 ILE C C 51 177.667 177.667 178.117 -0.450 18429 8585 1 16 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.389 -0.025 18429 8586 1 16 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.434 -0.150 18429 8587 1 16 . 1 1 51 51 ILE H H 51 8.475 8.475 8.191 0.284 18429 8588 1 16 . 1 1 52 52 GLU N N 52 120.715 120.715 120.016 0.699 18429 8589 1 16 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.055 -0.216 18429 8590 1 16 . 1 1 52 52 GLU C C 52 178.201 178.201 179.305 -1.104 18429 8591 1 16 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.542 0.585 18429 8592 1 16 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.368 -0.122 18429 8593 1 16 . 1 1 52 52 GLU H H 52 8.372 8.372 8.034 0.338 18429 8594 1 16 . 1 1 53 53 LYS N N 53 118.426 118.426 119.222 -0.796 18429 8595 1 16 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.175 -0.045 18429 8596 1 16 . 1 1 53 53 LYS C C 53 179.163 179.163 178.309 0.854 18429 8597 1 16 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.870 1.218 18429 8598 1 16 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.075 0.075 18429 8599 1 16 . 1 1 53 53 LYS H H 53 7.766 7.766 8.205 -0.439 18429 8600 1 16 . 1 1 54 54 PHE N N 54 120.522 120.522 120.874 -0.352 18429 8601 1 16 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.162 -0.060 18429 8602 1 16 . 1 1 54 54 PHE C C 54 176.920 176.920 176.943 -0.023 18429 8603 1 16 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.544 -0.007 18429 8604 1 16 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.130 0.282 18429 8605 1 16 . 1 1 54 54 PHE H H 54 7.990 7.990 8.149 -0.159 18429 8606 1 16 . 1 1 55 55 ARG N N 55 120.870 120.870 119.650 1.220 18429 8607 1 16 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.832 -0.006 18429 8608 1 16 . 1 1 55 55 ARG C C 55 178.383 178.383 177.914 0.469 18429 8609 1 16 . 1 1 55 55 ARG CA C 55 59.960 59.960 60.057 -0.097 18429 8610 1 16 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.880 2.235 18429 8611 1 16 . 1 1 55 55 ARG H H 55 8.774 8.774 7.893 0.881 18429 8612 1 16 . 1 1 56 56 ASP N N 56 119.776 119.776 119.084 0.692 18429 8613 1 16 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.377 -0.050 18429 8614 1 16 . 1 1 56 56 ASP C C 56 179.398 179.398 178.567 0.831 18429 8615 1 16 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.508 0.048 18429 8616 1 16 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.667 -0.850 18429 8617 1 16 . 1 1 56 56 ASP H H 56 8.491 8.491 7.738 0.753 18429 8618 1 16 . 1 1 57 57 GLU N N 57 120.418 120.418 119.005 1.413 18429 8619 1 16 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.970 0.083 18429 8620 1 16 . 1 1 57 57 GLU C C 57 179.708 179.708 179.149 0.559 18429 8621 1 16 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.833 0.061 18429 8622 1 16 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.193 0.183 18429 8623 1 16 . 1 1 57 57 GLU H H 57 7.894 7.894 8.073 -0.179 18429 8624 1 16 . 1 1 58 58 MET N N 58 119.674 119.674 118.563 1.111 18429 8625 1 16 . 1 1 58 58 MET HA H 58 4.090 4.090 3.944 0.146 18429 8626 1 16 . 1 1 58 58 MET C C 58 178.137 178.137 178.239 -0.102 18429 8627 1 16 . 1 1 58 58 MET CA C 58 58.568 58.568 59.467 -0.899 18429 8628 1 16 . 1 1 58 58 MET CB C 58 31.846 31.846 32.319 -0.472 18429 8629 1 16 . 1 1 58 58 MET H H 58 8.352 8.352 7.824 0.528 18429 8630 1 16 . 1 1 59 59 GLU N N 59 119.770 119.770 119.151 0.619 18429 8631 1 16 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.005 -0.055 18429 8632 1 16 . 1 1 59 59 GLU C C 59 178.939 178.939 178.996 -0.057 18429 8633 1 16 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.425 0.319 18429 8634 1 16 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.393 -0.216 18429 8635 1 16 . 1 1 59 59 GLU H H 59 8.717 8.717 8.076 0.641 18429 8636 1 16 . 1 1 60 60 GLN N N 60 117.895 117.895 119.596 -1.701 18429 8637 1 16 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.067 -0.096 18429 8638 1 16 . 1 1 60 60 GLN C C 60 178.052 178.052 178.573 -0.521 18429 8639 1 16 . 1 1 60 60 GLN CA C 60 58.254 58.254 59.129 -0.875 18429 8640 1 16 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.793 -0.675 18429 8641 1 16 . 1 1 60 60 GLN H H 60 7.613 7.613 7.573 0.040 18429 8642 1 16 . 1 1 61 61 MET N N 61 118.464 118.464 116.590 1.874 18429 8643 1 16 . 1 1 61 61 MET HA H 61 4.080 4.080 4.267 -0.187 18429 8644 1 16 . 1 1 61 61 MET C C 61 178.545 178.545 178.566 -0.021 18429 8645 1 16 . 1 1 61 61 MET CA C 61 58.972 58.972 58.418 0.554 18429 8646 1 16 . 1 1 61 61 MET CB C 61 32.309 32.309 32.589 -0.280 18429 8647 1 16 . 1 1 61 61 MET H H 61 7.943 7.943 7.537 0.406 18429 8648 1 16 . 1 1 62 62 TYR N N 62 119.118 119.118 122.112 -2.994 18429 8649 1 16 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.401 -0.241 18429 8650 1 16 . 1 1 62 62 TYR C C 62 176.118 176.118 176.391 -0.273 18429 8651 1 16 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.814 -0.563 18429 8652 1 16 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.713 -0.324 18429 8653 1 16 . 1 1 62 62 TYR H H 62 8.313 8.313 8.278 0.035 18429 8654 1 16 . 1 1 63 63 LYS N N 63 117.899 117.899 118.225 -0.326 18429 8655 1 16 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.894 -0.098 18429 8656 1 16 . 1 1 63 63 LYS C C 63 178.470 178.470 177.850 0.620 18429 8657 1 16 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.097 0.704 18429 8658 1 16 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.389 -0.370 18429 8659 1 16 . 1 1 63 63 LYS H H 63 7.806 7.806 7.621 0.185 18429 8660 1 16 . 1 1 64 64 ASP N N 64 116.931 116.931 118.288 -1.357 18429 8661 1 16 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.456 0.029 18429 8662 1 16 . 1 1 64 64 ASP C C 64 176.460 176.460 175.644 0.816 18429 8663 1 16 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.619 0.021 18429 8664 1 16 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.743 -0.547 18429 8665 1 16 . 1 1 64 64 ASP H H 64 7.771 7.771 7.861 -0.090 18429 8666 1 16 . 1 1 65 65 ALA N N 65 121.417 121.417 120.858 0.559 18429 8667 1 16 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.629 -0.037 18429 8668 1 16 . 1 1 65 65 ALA C C 65 180.460 180.460 174.537 5.923 18429 8669 1 16 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.942 0.281 18429 8670 1 16 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.933 -1.658 18429 8671 1 16 . 1 1 65 65 ALA H H 65 7.536 7.536 7.402 0.134 18429 8672 1 16 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.178 -0.206 18429 8673 1 16 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.151 1.908 18429 8674 1 16 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.695 0.682 18429 8675 1 16 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.575 -0.125 18429 8676 1 16 . 1 1 67 67 ASN CA C 67 56.342 56.342 55.116 1.226 18429 8677 1 16 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.698 1.885 18429 8678 1 16 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.406 -0.119 18429 8679 1 16 . 1 1 68 68 ALA C C 68 180.039 180.039 178.504 1.535 18429 8680 1 16 . 1 1 68 68 ALA CA C 68 54.958 54.958 52.252 2.706 18429 8681 1 16 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.663 0.174 18429 8682 1 16 . 1 1 69 69 VAL N N 69 119.699 119.699 122.037 -2.338 18429 8683 1 16 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.881 -0.072 18429 8684 1 16 . 1 1 69 69 VAL C C 69 178.578 178.578 176.696 1.882 18429 8685 1 16 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.200 0.710 18429 8686 1 16 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.675 -0.354 18429 8687 1 16 . 1 1 69 69 VAL H H 69 7.968 7.968 8.493 -0.525 18429 8688 1 16 . 1 1 70 70 MET N N 70 119.158 119.158 118.220 0.938 18429 8689 1 16 . 1 1 70 70 MET HA H 70 4.411 4.411 4.104 0.307 18429 8690 1 16 . 1 1 70 70 MET C C 70 177.858 177.858 177.463 0.395 18429 8691 1 16 . 1 1 70 70 MET CA C 70 56.540 56.540 58.428 -1.889 18429 8692 1 16 . 1 1 70 70 MET CB C 70 31.927 31.927 32.198 -0.271 18429 8693 1 16 . 1 1 70 70 MET H H 70 8.195 8.195 8.329 -0.134 18429 8694 1 16 . 1 1 71 71 GLU N N 71 119.109 119.109 120.285 -1.176 18429 8695 1 16 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.560 -0.038 18429 8696 1 16 . 1 1 71 71 GLU C C 71 178.949 178.949 178.621 0.328 18429 8697 1 16 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.920 -0.119 18429 8698 1 16 . 1 1 71 71 GLU CB C 71 29.687 29.687 28.936 0.751 18429 8699 1 16 . 1 1 71 71 GLU H H 71 8.122 8.122 7.780 0.342 18429 8700 1 16 . 1 1 72 72 GLN N N 72 118.471 118.471 117.771 0.700 18429 8701 1 16 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.097 0.025 18429 8702 1 16 . 1 1 72 72 GLN C C 72 178.597 178.597 178.939 -0.342 18429 8703 1 16 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.236 0.279 18429 8704 1 16 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.129 -0.018 18429 8705 1 16 . 1 1 72 72 GLN H H 72 7.662 7.662 7.879 -0.217 18429 8706 1 16 . 1 1 73 73 LEU N N 73 120.880 120.880 120.514 0.366 18429 8707 1 16 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.030 0.014 18429 8708 1 16 . 1 1 73 73 LEU C C 73 178.992 178.992 179.200 -0.208 18429 8709 1 16 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.520 0.527 18429 8710 1 16 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.547 -0.170 18429 8711 1 16 . 1 1 73 73 LEU H H 73 8.170 8.170 7.912 0.258 18429 8712 1 16 . 1 1 74 74 LEU N N 74 119.628 119.628 120.004 -0.376 18429 8713 1 16 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.934 0.018 18429 8714 1 16 . 1 1 74 74 LEU C C 74 179.088 179.088 179.041 0.047 18429 8715 1 16 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.405 0.369 18429 8716 1 16 . 1 1 74 74 LEU CB C 74 41.067 41.067 40.390 0.677 18429 8717 1 16 . 1 1 74 74 LEU H H 74 8.396 8.396 7.780 0.616 18429 8718 1 16 . 1 1 75 75 GLU N N 75 119.588 119.588 119.726 -0.138 18429 8719 1 16 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.854 0.191 18429 8720 1 16 . 1 1 75 75 GLU C C 75 179.772 179.772 178.585 1.187 18429 8721 1 16 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.923 -0.662 18429 8722 1 16 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.462 -0.595 18429 8723 1 16 . 1 1 75 75 GLU H H 75 7.622 7.622 8.077 -0.455 18429 8724 1 16 . 1 1 76 76 GLU N N 76 118.750 118.750 119.152 -0.402 18429 8725 1 16 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.119 -0.030 18429 8726 1 16 . 1 1 76 76 GLU C C 76 180.103 180.103 179.233 0.870 18429 8727 1 16 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.899 0.210 18429 8728 1 16 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.272 0.093 18429 8729 1 16 . 1 1 76 76 GLU H H 76 8.127 8.127 7.967 0.160 18429 8730 1 16 . 1 1 77 77 ILE N N 77 121.044 121.044 120.010 1.034 18429 8731 1 16 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.729 0.095 18429 8732 1 16 . 1 1 77 77 ILE C C 77 177.219 177.219 177.514 -0.295 18429 8733 1 16 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.209 -0.663 18429 8734 1 16 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.883 -0.736 18429 8735 1 16 . 1 1 77 77 ILE H H 77 8.715 8.715 7.426 1.289 18429 8736 1 16 . 1 1 78 78 GLU N N 78 121.847 121.847 120.585 1.262 18429 8737 1 16 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.940 0.102 18429 8738 1 16 . 1 1 78 78 GLU C C 78 179.644 179.644 178.972 0.672 18429 8739 1 16 . 1 1 78 78 GLU CA C 78 59.486 59.486 60.051 -0.565 18429 8740 1 16 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.599 -0.612 18429 8741 1 16 . 1 1 78 78 GLU H H 78 8.161 8.161 7.903 0.258 18429 8742 1 16 . 1 1 79 79 LYS N N 79 118.842 118.842 117.584 1.258 18429 8743 1 16 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.110 -0.148 18429 8744 1 16 . 1 1 79 79 LYS C C 79 179.729 179.729 178.887 0.842 18429 8745 1 16 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.830 0.911 18429 8746 1 16 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.023 0.407 18429 8747 1 16 . 1 1 79 79 LYS H H 79 7.756 7.756 7.995 -0.239 18429 8748 1 16 . 1 1 80 80 LEU N N 80 120.440 120.440 121.935 -1.495 18429 8749 1 16 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.034 0.019 18429 8750 1 16 . 1 1 80 80 LEU C C 80 178.939 178.939 178.895 0.044 18429 8751 1 16 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.677 0.278 18429 8752 1 16 . 1 1 80 80 LEU CB C 80 41.676 41.676 42.150 -0.474 18429 8753 1 16 . 1 1 80 80 LEU H H 80 7.805 7.805 7.365 0.440 18429 8754 1 16 . 1 1 81 81 LEU N N 81 119.519 119.519 118.206 1.313 18429 8755 1 16 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.913 0.042 18429 8756 1 16 . 1 1 81 81 LEU C C 81 179.366 179.366 178.416 0.950 18429 8757 1 16 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.488 0.288 18429 8758 1 16 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.318 0.299 18429 8759 1 16 . 1 1 81 81 LEU H H 81 8.423 8.423 8.167 0.256 18429 8760 1 16 . 1 1 82 82 LYS N N 82 119.070 119.070 117.073 1.997 18429 8761 1 16 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.041 0.090 18429 8762 1 16 . 1 1 82 82 LYS C C 82 179.237 179.237 178.385 0.852 18429 8763 1 16 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.342 0.530 18429 8764 1 16 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.339 -0.126 18429 8765 1 16 . 1 1 82 82 LYS H H 82 7.804 7.804 7.916 -0.112 18429 8766 1 16 . 1 1 83 83 LYS N N 83 119.647 119.647 116.959 2.688 18429 8767 1 16 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.225 0.016 18429 8768 1 16 . 1 1 83 83 LYS C C 83 178.234 178.234 177.216 1.018 18429 8769 1 16 . 1 1 83 83 LYS CA C 83 57.328 57.328 56.906 0.422 18429 8770 1 16 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.869 -0.680 18429 8771 1 16 . 1 1 83 83 LYS H H 83 7.737 7.737 7.544 0.193 18429 8772 1 16 . 1 1 84 84 ALA N N 84 122.121 122.121 122.843 -0.722 18429 8773 1 16 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.230 -0.160 18429 8774 1 16 . 1 1 84 84 ALA C C 84 179.003 179.003 177.244 1.759 18429 8775 1 16 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.870 1.052 18429 8776 1 16 . 1 1 84 84 ALA CB C 84 18.175 18.175 17.514 0.661 18429 8777 1 16 . 1 1 84 84 ALA H H 84 8.259 8.259 7.566 0.693 18429 8778 1 16 . 1 1 85 85 GLY N N 85 105.518 105.518 110.439 -4.921 18429 8779 1 16 . 1 1 85 85 GLY C C 85 174.759 174.759 172.361 2.398 18429 8780 1 16 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.780 0.957 18429 8781 1 16 . 1 1 85 85 GLY H H 85 8.191 8.191 7.787 0.404 18429 8782 1 16 . 1 1 86 86 SER N N 86 114.680 114.680 115.029 -0.349 18429 8783 1 16 . 1 1 86 86 SER HA H 86 4.512 4.512 4.688 -0.176 18429 8784 1 16 . 1 1 86 86 SER C C 86 174.452 174.452 173.805 0.647 18429 8785 1 16 . 1 1 86 86 SER CA C 86 58.641 58.641 57.540 1.101 18429 8786 1 16 . 1 1 86 86 SER CB C 86 63.751 63.751 64.630 -0.879 18429 8787 1 16 . 1 1 86 86 SER H H 86 7.884 7.884 8.314 -0.430 18429 8788 1 16 . 1 1 87 87 LEU N N 87 122.300 122.300 123.175 -0.875 18429 8789 1 16 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.210 0.122 18429 8790 1 16 . 1 1 87 87 LEU C C 87 176.845 176.845 175.298 1.547 18429 8791 1 16 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.628 -0.636 18429 8792 1 16 . 1 1 87 87 LEU CB C 87 41.924 41.924 42.036 -0.112 18429 8793 1 16 . 1 1 87 87 LEU H H 87 7.806 7.806 8.510 -0.704 18429 8794 1 16 . 1 1 88 88 VAL N N 88 120.869 120.869 121.157 -0.288 18429 8795 1 16 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.270 0.117 18429 8796 1 16 . 1 1 88 88 VAL C C 88 174.367 174.367 174.591 -0.224 18429 8797 1 16 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.811 -1.055 18429 8798 1 16 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.403 -0.025 18429 8799 1 16 . 1 1 88 88 VAL H H 88 7.849 7.849 7.976 -0.127 18429 8800 1 16 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.754 -0.342 18429 8801 1 16 . 1 1 89 89 PRO C C 89 176.898 176.898 176.032 0.866 18429 8802 1 16 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.031 0.898 18429 8803 1 16 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.671 -0.745 18429 8804 1 16 . 1 1 90 90 ARG N N 90 121.893 121.893 116.039 5.854 18429 8805 1 16 . 1 1 90 90 ARG HA H 90 4.291 4.291 3.909 0.382 18429 8806 1 16 . 1 1 90 90 ARG C C 90 177.081 177.081 176.699 0.382 18429 8807 1 16 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.390 -0.065 18429 8808 1 16 . 1 1 90 90 ARG CB C 90 30.554 30.554 28.524 2.030 18429 8809 1 16 . 1 1 90 90 ARG H H 90 8.528 8.528 8.510 0.018 18429 8810 1 16 . 1 1 91 91 GLY N N 91 109.932 109.932 107.769 2.163 18429 8811 1 16 . 1 1 91 91 GLY C C 91 174.324 174.324 173.864 0.460 18429 8812 1 16 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.610 0.683 18429 8813 1 16 . 1 1 91 91 GLY H H 91 8.551 8.551 8.378 0.173 18429 8814 1 16 . 1 1 92 92 SER N N 92 115.612 115.612 115.779 -0.167 18429 8815 1 16 . 1 1 92 92 SER HA H 92 4.407 4.407 4.168 0.239 18429 8816 1 16 . 1 1 92 92 SER C C 92 174.463 174.463 173.518 0.945 18429 8817 1 16 . 1 1 92 92 SER CA C 92 58.310 58.310 58.694 -0.384 18429 8818 1 16 . 1 1 92 92 SER CB C 92 63.616 63.616 63.559 0.057 18429 8819 1 16 . 1 1 92 92 SER H H 92 8.183 8.183 7.737 0.446 18429 8820 1 16 . 1 1 93 93 TYR N N 93 122.140 122.140 120.629 1.511 18429 8821 1 16 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.517 -0.011 18429 8822 1 16 . 1 1 93 93 TYR C C 93 175.659 175.659 175.438 0.221 18429 8823 1 16 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.475 0.630 18429 8824 1 16 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.024 0.267 18429 8825 1 16 . 1 1 93 93 TYR H H 93 8.206 8.206 8.664 -0.458 18429 8826 1 16 . 1 1 94 94 LEU N N 94 123.025 123.025 128.631 -5.606 18429 8827 1 16 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.352 -0.153 18429 8828 1 16 . 1 1 94 94 LEU C C 94 177.037 177.037 177.222 -0.185 18429 8829 1 16 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.645 0.300 18429 8830 1 16 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.775 0.391 18429 8831 1 16 . 1 1 94 94 LEU H H 94 8.007 8.007 8.750 -0.743 18429 8832 1 16 . 1 1 95 95 GLU N N 95 120.848 120.848 124.129 -3.281 18429 8833 1 16 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.145 -0.029 18429 8834 1 16 . 1 1 95 95 GLU C C 95 176.268 176.268 177.255 -0.987 18429 8835 1 16 . 1 1 95 95 GLU CA C 95 56.713 56.713 58.627 -1.914 18429 8836 1 16 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.661 0.385 18429 8837 1 16 . 1 1 95 95 GLU H H 95 8.141 8.141 8.146 -0.005 18429 8838 1 16 . 1 1 96 96 HIS N N 96 119.288 119.288 116.594 2.694 18429 8839 1 16 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.457 0.113 18429 8840 1 16 . 1 1 96 96 HIS C C 96 174.100 174.100 175.196 -1.096 18429 8841 1 16 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.034 -0.195 18429 8842 1 16 . 1 1 96 96 HIS CB C 96 30.404 30.404 27.688 2.716 18429 8843 1 16 . 1 1 96 96 HIS H H 96 8.144 8.144 8.145 -0.001 18429 8844 1 16 . 1 1 97 97 HIS N N 97 125.622 125.622 118.323 7.299 18429 8845 1 16 . 1 1 97 97 HIS C C 97 179.480 179.480 175.331 4.149 18429 8846 1 16 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.715 0.731 18429 8847 1 16 . 1 1 97 97 HIS CB C 97 30.754 30.754 31.085 -0.331 18429 8848 1 16 . 1 1 97 97 HIS H H 97 8.017 8.017 7.982 0.035 18429 8849 1 17 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.374 -0.058 18429 8850 1 17 . 1 1 2 2 GLN C C 2 177.028 177.028 176.410 0.618 18429 8851 1 17 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.109 0.691 18429 8852 1 17 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.252 -0.368 18429 8853 1 17 . 1 1 3 3 GLU N N 3 123.654 123.654 124.841 -1.187 18429 8854 1 17 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.734 0.343 18429 8855 1 17 . 1 1 3 3 GLU C C 3 177.945 177.945 177.458 0.487 18429 8856 1 17 . 1 1 3 3 GLU CA C 3 59.110 59.110 59.214 -0.104 18429 8857 1 17 . 1 1 3 3 GLU CB C 3 29.343 29.343 28.174 1.169 18429 8858 1 17 . 1 1 3 3 GLU H H 3 8.995 8.995 8.886 0.109 18429 8859 1 17 . 1 1 4 4 GLU N N 4 119.237 119.237 120.675 -1.438 18429 8860 1 17 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.953 0.116 18429 8861 1 17 . 1 1 4 4 GLU C C 4 178.815 178.815 178.672 0.143 18429 8862 1 17 . 1 1 4 4 GLU CA C 4 59.152 59.152 58.930 0.222 18429 8863 1 17 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.475 -0.257 18429 8864 1 17 . 1 1 4 4 GLU H H 4 8.837 8.837 8.190 0.647 18429 8865 1 17 . 1 1 5 5 ARG N N 5 120.052 120.052 117.587 2.465 18429 8866 1 17 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.099 -0.148 18429 8867 1 17 . 1 1 5 5 ARG C C 5 177.324 177.324 178.252 -0.928 18429 8868 1 17 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.541 0.700 18429 8869 1 17 . 1 1 5 5 ARG CB C 5 29.981 29.981 29.973 0.008 18429 8870 1 17 . 1 1 5 5 ARG H H 5 7.884 7.884 7.988 -0.104 18429 8871 1 17 . 1 1 6 6 LYS N N 6 119.327 119.327 118.973 0.354 18429 8872 1 17 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.138 -0.158 18429 8873 1 17 . 1 1 6 6 LYS C C 6 178.939 178.939 178.681 0.258 18429 8874 1 17 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.236 1.096 18429 8875 1 17 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.979 0.175 18429 8876 1 17 . 1 1 6 6 LYS H H 6 7.998 7.998 7.726 0.272 18429 8877 1 17 . 1 1 7 7 LYS N N 7 117.908 117.908 120.711 -2.803 18429 8878 1 17 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.301 -0.205 18429 8879 1 17 . 1 1 7 7 LYS C C 7 179.332 179.332 178.756 0.576 18429 8880 1 17 . 1 1 7 7 LYS CA C 7 58.767 58.767 59.032 -0.265 18429 8881 1 17 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.139 0.158 18429 8882 1 17 . 1 1 7 7 LYS H H 7 7.917 7.917 7.961 -0.044 18429 8883 1 17 . 1 1 8 8 LEU N N 8 120.724 120.724 120.565 0.159 18429 8884 1 17 . 1 1 8 8 LEU HA H 8 4.049 4.049 3.949 0.100 18429 8885 1 17 . 1 1 8 8 LEU C C 8 178.490 178.490 178.223 0.267 18429 8886 1 17 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.848 -0.159 18429 8887 1 17 . 1 1 8 8 LEU CB C 8 41.605 41.605 42.082 -0.477 18429 8888 1 17 . 1 1 8 8 LEU H H 8 7.686 7.686 7.621 0.065 18429 8889 1 17 . 1 1 9 9 LEU N N 9 118.886 118.886 117.109 1.777 18429 8890 1 17 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.966 -0.028 18429 8891 1 17 . 1 1 9 9 LEU C C 9 178.981 178.981 179.051 -0.070 18429 8892 1 17 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.227 0.731 18429 8893 1 17 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.319 -0.477 18429 8894 1 17 . 1 1 9 9 LEU H H 9 8.158 8.158 7.474 0.684 18429 8895 1 17 . 1 1 10 10 GLU N N 10 119.000 119.000 119.728 -0.728 18429 8896 1 17 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.982 0.070 18429 8897 1 17 . 1 1 10 10 GLU C C 10 179.601 179.601 178.900 0.701 18429 8898 1 17 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.546 -0.268 18429 8899 1 17 . 1 1 10 10 GLU CB C 10 29.286 29.286 28.904 0.382 18429 8900 1 17 . 1 1 10 10 GLU H H 10 8.069 8.069 7.715 0.354 18429 8901 1 17 . 1 1 11 11 LYS N N 11 119.446 119.446 120.054 -0.608 18429 8902 1 17 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.027 0.056 18429 8903 1 17 . 1 1 11 11 LYS C C 11 178.971 178.971 178.235 0.736 18429 8904 1 17 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.734 0.038 18429 8905 1 17 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.998 -0.003 18429 8906 1 17 . 1 1 11 11 LYS H H 11 7.676 7.676 7.593 0.083 18429 8907 1 17 . 1 1 12 12 LEU N N 12 120.017 120.017 121.209 -1.192 18429 8908 1 17 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.918 -0.034 18429 8909 1 17 . 1 1 12 12 LEU C C 12 177.977 177.977 178.196 -0.219 18429 8910 1 17 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.661 -0.936 18429 8911 1 17 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.406 0.171 18429 8912 1 17 . 1 1 12 12 LEU H H 12 8.378 8.378 8.014 0.364 18429 8913 1 17 . 1 1 13 13 GLU N N 13 117.914 117.914 117.442 0.472 18429 8914 1 17 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.836 -0.140 18429 8915 1 17 . 1 1 13 13 GLU C C 13 177.934 177.934 178.940 -1.006 18429 8916 1 17 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.411 0.705 18429 8917 1 17 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.150 0.248 18429 8918 1 17 . 1 1 13 13 GLU H H 13 8.458 8.458 7.904 0.554 18429 8919 1 17 . 1 1 14 14 LYS N N 14 117.629 117.629 120.397 -2.768 18429 8920 1 17 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.083 0.052 18429 8921 1 17 . 1 1 14 14 LYS C C 14 179.227 179.227 179.024 0.203 18429 8922 1 17 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.113 -0.247 18429 8923 1 17 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.325 -0.198 18429 8924 1 17 . 1 1 14 14 LYS H H 14 7.365 7.365 7.312 0.053 18429 8925 1 17 . 1 1 15 15 ILE N N 15 119.583 119.583 120.459 -0.876 18429 8926 1 17 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.708 0.069 18429 8927 1 17 . 1 1 15 15 ILE C C 15 178.009 178.009 177.571 0.438 18429 8928 1 17 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.250 -0.361 18429 8929 1 17 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.941 0.260 18429 8930 1 17 . 1 1 15 15 ILE H H 15 7.726 7.726 7.918 -0.192 18429 8931 1 17 . 1 1 16 16 LEU N N 16 118.601 118.601 119.428 -0.827 18429 8932 1 17 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.814 0.039 18429 8933 1 17 . 1 1 16 16 LEU C C 16 179.729 179.729 179.035 0.694 18429 8934 1 17 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.086 -0.244 18429 8935 1 17 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.580 0.057 18429 8936 1 17 . 1 1 16 16 LEU H H 16 8.372 8.372 7.870 0.502 18429 8937 1 17 . 1 1 17 17 ASP N N 17 120.008 120.008 120.004 0.004 18429 8938 1 17 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.418 -0.082 18429 8939 1 17 . 1 1 17 17 ASP C C 17 178.148 178.148 178.765 -0.617 18429 8940 1 17 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.179 0.110 18429 8941 1 17 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.114 -0.846 18429 8942 1 17 . 1 1 17 17 ASP H H 17 8.192 8.192 8.117 0.075 18429 8943 1 17 . 1 1 18 18 GLU N N 18 119.362 119.362 119.525 -0.163 18429 8944 1 17 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.174 -0.023 18429 8945 1 17 . 1 1 18 18 GLU C C 18 179.653 179.653 179.312 0.341 18429 8946 1 17 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.699 0.556 18429 8947 1 17 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.907 -0.707 18429 8948 1 17 . 1 1 18 18 GLU H H 18 7.860 7.860 7.792 0.068 18429 8949 1 17 . 1 1 19 19 VAL N N 19 118.483 118.483 119.492 -1.009 18429 8950 1 17 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.799 0.027 18429 8951 1 17 . 1 1 19 19 VAL C C 19 177.496 177.496 176.937 0.559 18429 8952 1 17 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.431 -1.534 18429 8953 1 17 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.238 -0.429 18429 8954 1 17 . 1 1 19 19 VAL H H 19 8.416 8.416 8.368 0.048 18429 8955 1 17 . 1 1 20 20 THR N N 20 112.904 112.904 110.308 2.596 18429 8956 1 17 . 1 1 20 20 THR HA H 20 3.856 3.856 4.123 -0.267 18429 8957 1 17 . 1 1 20 20 THR C C 20 175.894 175.894 176.539 -0.645 18429 8958 1 17 . 1 1 20 20 THR CA C 20 65.696 65.696 64.899 0.797 18429 8959 1 17 . 1 1 20 20 THR CB C 20 68.587 68.587 68.726 -0.139 18429 8960 1 17 . 1 1 20 20 THR H H 20 7.985 7.985 7.828 0.157 18429 8961 1 17 . 1 1 21 21 ASP N N 21 120.510 120.510 122.738 -2.228 18429 8962 1 17 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.563 -0.120 18429 8963 1 17 . 1 1 21 21 ASP C C 21 177.358 177.358 177.688 -0.330 18429 8964 1 17 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.313 0.055 18429 8965 1 17 . 1 1 21 21 ASP CB C 21 40.873 40.873 41.150 -0.277 18429 8966 1 17 . 1 1 21 21 ASP H H 21 7.935 7.935 7.890 0.045 18429 8967 1 17 . 1 1 22 22 GLY N N 22 106.730 106.730 107.307 -0.577 18429 8968 1 17 . 1 1 22 22 GLY C C 22 174.004 174.004 173.568 0.436 18429 8969 1 17 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.262 0.565 18429 8970 1 17 . 1 1 22 22 GLY H H 22 7.939 7.939 7.795 0.144 18429 8971 1 17 . 1 1 23 23 ALA N N 23 124.286 124.286 123.683 0.603 18429 8972 1 17 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.570 -0.062 18429 8973 1 17 . 1 1 23 23 ALA C C 23 174.921 174.921 175.980 -1.059 18429 8974 1 17 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.256 0.095 18429 8975 1 17 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.806 -1.302 18429 8976 1 17 . 1 1 23 23 ALA H H 23 7.531 7.531 7.274 0.257 18429 8977 1 17 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.502 0.061 18429 8978 1 17 . 1 1 24 24 PRO C C 24 177.571 177.571 177.199 0.372 18429 8979 1 17 . 1 1 24 24 PRO CA C 24 62.490 62.490 62.009 0.481 18429 8980 1 17 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.142 -0.044 18429 8981 1 17 . 1 1 25 25 ASP N N 25 122.828 122.828 119.915 2.913 18429 8982 1 17 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.286 -0.031 18429 8983 1 17 . 1 1 25 25 ASP C C 25 178.298 178.298 177.841 0.457 18429 8984 1 17 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.415 0.648 18429 8985 1 17 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.584 -0.067 18429 8986 1 17 . 1 1 25 25 ASP H H 25 8.779 8.779 8.902 -0.123 18429 8987 1 17 . 1 1 26 26 GLU N N 26 117.055 117.055 118.963 -1.908 18429 8988 1 17 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.194 -0.059 18429 8989 1 17 . 1 1 26 26 GLU C C 26 177.454 177.454 177.821 -0.367 18429 8990 1 17 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.299 0.925 18429 8991 1 17 . 1 1 26 26 GLU CB C 26 28.554 28.554 28.952 -0.398 18429 8992 1 17 . 1 1 26 26 GLU H H 26 9.324 9.324 8.666 0.658 18429 8993 1 17 . 1 1 27 27 ALA N N 27 120.789 120.789 123.912 -3.123 18429 8994 1 17 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.140 0.271 18429 8995 1 17 . 1 1 27 27 ALA C C 27 178.065 178.065 179.013 -0.948 18429 8996 1 17 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.929 -1.050 18429 8997 1 17 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.077 1.819 18429 8998 1 17 . 1 1 27 27 ALA H H 27 7.474 7.474 8.052 -0.578 18429 8999 1 17 . 1 1 28 28 ARG N N 28 118.872 118.872 118.307 0.565 18429 9000 1 17 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.965 -0.290 18429 9001 1 17 . 1 1 28 28 ARG C C 28 177.550 177.550 177.871 -0.321 18429 9002 1 17 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.392 1.210 18429 9003 1 17 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.187 -0.643 18429 9004 1 17 . 1 1 28 28 ARG H H 28 7.803 7.803 7.836 -0.033 18429 9005 1 17 . 1 1 29 29 GLU N N 29 117.512 117.512 118.135 -0.623 18429 9006 1 17 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.040 0.002 18429 9007 1 17 . 1 1 29 29 GLU C C 29 179.122 179.122 179.281 -0.159 18429 9008 1 17 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.190 0.417 18429 9009 1 17 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.782 0.459 18429 9010 1 17 . 1 1 29 29 GLU H H 29 8.490 8.490 7.738 0.752 18429 9011 1 17 . 1 1 30 30 ARG N N 30 119.240 119.240 118.611 0.629 18429 9012 1 17 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.090 0.044 18429 9013 1 17 . 1 1 30 30 ARG C C 30 179.248 179.248 178.641 0.607 18429 9014 1 17 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.297 0.532 18429 9015 1 17 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.862 0.003 18429 9016 1 17 . 1 1 30 30 ARG H H 30 7.789 7.789 7.426 0.363 18429 9017 1 17 . 1 1 31 31 ILE N N 31 120.920 120.920 119.932 0.988 18429 9018 1 17 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.798 -0.060 18429 9019 1 17 . 1 1 31 31 ILE C C 31 177.089 177.089 178.410 -1.321 18429 9020 1 17 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.093 -1.275 18429 9021 1 17 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.523 -0.438 18429 9022 1 17 . 1 1 31 31 ILE H H 31 8.256 8.256 7.400 0.856 18429 9023 1 17 . 1 1 32 32 GLU N N 32 120.281 120.281 119.601 0.680 18429 9024 1 17 . 1 1 32 32 GLU HA H 32 3.936 3.936 4.012 -0.076 18429 9025 1 17 . 1 1 32 32 GLU C C 32 179.429 179.429 179.175 0.254 18429 9026 1 17 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.612 -0.053 18429 9027 1 17 . 1 1 32 32 GLU CB C 32 29.403 29.403 28.924 0.479 18429 9028 1 17 . 1 1 32 32 GLU H H 32 8.697 8.697 8.397 0.300 18429 9029 1 17 . 1 1 33 33 LYS N N 33 119.737 119.737 119.505 0.232 18429 9030 1 17 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.152 -0.094 18429 9031 1 17 . 1 1 33 33 LYS C C 33 178.159 178.159 179.215 -1.056 18429 9032 1 17 . 1 1 33 33 LYS CA C 33 59.411 59.411 58.961 0.450 18429 9033 1 17 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.633 -0.583 18429 9034 1 17 . 1 1 33 33 LYS H H 33 7.764 7.764 7.369 0.395 18429 9035 1 17 . 1 1 34 34 LEU N N 34 120.133 120.133 120.287 -0.154 18429 9036 1 17 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.111 0.121 18429 9037 1 17 . 1 1 34 34 LEU C C 34 178.629 178.629 177.979 0.650 18429 9038 1 17 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.679 -0.172 18429 9039 1 17 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.889 -0.092 18429 9040 1 17 . 1 1 34 34 LEU H H 34 7.790 7.790 7.703 0.087 18429 9041 1 17 . 1 1 35 35 ALA N N 35 119.492 119.492 121.113 -1.621 18429 9042 1 17 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.797 -0.029 18429 9043 1 17 . 1 1 35 35 ALA C C 35 179.297 179.297 179.242 0.055 18429 9044 1 17 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.636 -0.613 18429 9045 1 17 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.074 0.117 18429 9046 1 17 . 1 1 35 35 ALA H H 35 8.634 8.634 8.429 0.205 18429 9047 1 17 . 1 1 36 36 LYS N N 36 118.470 118.470 118.323 0.147 18429 9048 1 17 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.987 -0.056 18429 9049 1 17 . 1 1 36 36 LYS C C 36 178.223 178.223 178.313 -0.090 18429 9050 1 17 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.138 0.057 18429 9051 1 17 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.077 -0.022 18429 9052 1 17 . 1 1 36 36 LYS H H 36 7.704 7.704 7.625 0.079 18429 9053 1 17 . 1 1 37 37 ASP N N 37 120.075 120.075 119.435 0.640 18429 9054 1 17 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.675 -0.272 18429 9055 1 17 . 1 1 37 37 ASP C C 37 179.334 179.334 178.901 0.433 18429 9056 1 17 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.175 0.006 18429 9057 1 17 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.823 -0.846 18429 9058 1 17 . 1 1 37 37 ASP H H 37 8.203 8.203 7.843 0.360 18429 9059 1 17 . 1 1 38 38 VAL N N 38 118.202 118.202 119.627 -1.425 18429 9060 1 17 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.615 0.008 18429 9061 1 17 . 1 1 38 38 VAL C C 38 177.017 177.017 177.974 -0.957 18429 9062 1 17 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.285 -0.617 18429 9063 1 17 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.210 0.027 18429 9064 1 17 . 1 1 38 38 VAL H H 38 8.215 8.215 8.164 0.051 18429 9065 1 17 . 1 1 39 39 LYS N N 39 119.236 119.236 119.829 -0.593 18429 9066 1 17 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.948 -0.138 18429 9067 1 17 . 1 1 39 39 LYS C C 39 178.575 178.575 178.898 -0.323 18429 9068 1 17 . 1 1 39 39 LYS CA C 39 59.713 59.713 60.053 -0.340 18429 9069 1 17 . 1 1 39 39 LYS CB C 39 32.091 32.091 32.016 0.075 18429 9070 1 17 . 1 1 39 39 LYS H H 39 7.780 7.780 7.405 0.375 18429 9071 1 17 . 1 1 40 40 ASP N N 40 118.227 118.227 119.693 -1.466 18429 9072 1 17 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.381 0.071 18429 9073 1 17 . 1 1 40 40 ASP C C 40 178.137 178.137 178.428 -0.291 18429 9074 1 17 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.398 -0.975 18429 9075 1 17 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.350 0.060 18429 9076 1 17 . 1 1 40 40 ASP H H 40 8.273 8.273 7.834 0.439 18429 9077 1 17 . 1 1 41 41 GLU N N 41 119.896 119.896 119.704 0.192 18429 9078 1 17 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.096 0.135 18429 9079 1 17 . 1 1 41 41 GLU C C 41 177.849 177.849 179.126 -1.277 18429 9080 1 17 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.701 -1.316 18429 9081 1 17 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.442 0.289 18429 9082 1 17 . 1 1 41 41 GLU H H 41 7.875 7.875 7.722 0.153 18429 9083 1 17 . 1 1 42 42 LEU N N 42 119.906 119.906 120.332 -0.426 18429 9084 1 17 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.092 0.032 18429 9085 1 17 . 1 1 42 42 LEU C C 42 178.276 178.276 178.209 0.067 18429 9086 1 17 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.297 -0.584 18429 9087 1 17 . 1 1 42 42 LEU CB C 42 42.148 42.148 42.170 -0.022 18429 9088 1 17 . 1 1 42 42 LEU H H 42 7.952 7.952 8.101 -0.149 18429 9089 1 17 . 1 1 43 43 GLU N N 43 117.735 117.735 117.726 0.009 18429 9090 1 17 . 1 1 43 43 GLU HA H 43 4.135 4.135 3.988 0.147 18429 9091 1 17 . 1 1 43 43 GLU C C 43 177.582 177.582 178.632 -1.050 18429 9092 1 17 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.636 0.168 18429 9093 1 17 . 1 1 43 43 GLU CB C 43 29.571 29.571 29.724 -0.153 18429 9094 1 17 . 1 1 43 43 GLU H H 43 8.020 8.020 7.679 0.341 18429 9095 1 17 . 1 1 44 44 GLU N N 44 116.308 116.308 117.382 -1.074 18429 9096 1 17 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.117 0.299 18429 9097 1 17 . 1 1 44 44 GLU C C 44 177.133 177.133 177.467 -0.334 18429 9098 1 17 . 1 1 44 44 GLU CA C 44 56.448 56.448 58.094 -1.646 18429 9099 1 17 . 1 1 44 44 GLU CB C 44 31.114 31.114 30.401 0.713 18429 9100 1 17 . 1 1 44 44 GLU H H 44 8.128 8.128 7.730 0.398 18429 9101 1 17 . 1 1 45 45 GLY N N 45 109.450 109.450 107.746 1.704 18429 9102 1 17 . 1 1 45 45 GLY C C 45 173.685 173.685 172.711 0.974 18429 9103 1 17 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.946 0.428 18429 9104 1 17 . 1 1 45 45 GLY H H 45 8.156 8.156 7.828 0.328 18429 9105 1 17 . 1 1 46 46 ASP N N 46 120.995 120.995 120.733 0.262 18429 9106 1 17 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.576 0.112 18429 9107 1 17 . 1 1 46 46 ASP C C 46 176.375 176.375 174.934 1.441 18429 9108 1 17 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.757 -0.132 18429 9109 1 17 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.722 -0.515 18429 9110 1 17 . 1 1 46 46 ASP H H 46 8.467 8.467 8.361 0.106 18429 9111 1 17 . 1 1 47 47 ALA N N 47 124.626 124.626 122.924 1.702 18429 9112 1 17 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.448 -0.325 18429 9113 1 17 . 1 1 47 47 ALA C C 47 178.084 178.084 177.717 0.367 18429 9114 1 17 . 1 1 47 47 ALA CA C 47 53.941 53.941 52.134 1.807 18429 9115 1 17 . 1 1 47 47 ALA CB C 47 18.984 18.984 20.008 -1.024 18429 9116 1 17 . 1 1 47 47 ALA H H 47 8.483 8.483 8.444 0.039 18429 9117 1 17 . 1 1 48 48 LYS N N 48 118.214 118.214 121.411 -3.197 18429 9118 1 17 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.952 -0.151 18429 9119 1 17 . 1 1 48 48 LYS C C 48 177.582 177.582 178.044 -0.462 18429 9120 1 17 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.799 0.313 18429 9121 1 17 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.027 0.133 18429 9122 1 17 . 1 1 48 48 LYS H H 48 8.349 8.349 8.252 0.097 18429 9123 1 17 . 1 1 49 49 ASN N N 49 116.387 116.387 116.992 -0.605 18429 9124 1 17 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.615 -0.107 18429 9125 1 17 . 1 1 49 49 ASN C C 49 177.753 177.753 177.374 0.379 18429 9126 1 17 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.070 -0.089 18429 9127 1 17 . 1 1 49 49 ASN CB C 49 38.365 38.365 37.868 0.497 18429 9128 1 17 . 1 1 49 49 ASN H H 49 8.184 8.184 8.601 -0.417 18429 9129 1 17 . 1 1 50 50 MET N N 50 118.627 118.627 117.759 0.868 18429 9130 1 17 . 1 1 50 50 MET HA H 50 4.335 4.335 4.299 0.036 18429 9131 1 17 . 1 1 50 50 MET C C 50 178.683 178.683 178.713 -0.030 18429 9132 1 17 . 1 1 50 50 MET CA C 50 57.203 57.203 57.797 -0.594 18429 9133 1 17 . 1 1 50 50 MET CB C 50 32.289 32.289 31.443 0.846 18429 9134 1 17 . 1 1 50 50 MET H H 50 8.189 8.189 8.024 0.165 18429 9135 1 17 . 1 1 51 51 ILE N N 51 120.778 120.778 120.746 0.032 18429 9136 1 17 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.726 -0.033 18429 9137 1 17 . 1 1 51 51 ILE C C 51 177.667 177.667 178.079 -0.412 18429 9138 1 17 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.441 -0.077 18429 9139 1 17 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.446 -0.162 18429 9140 1 17 . 1 1 51 51 ILE H H 51 8.475 8.475 8.418 0.057 18429 9141 1 17 . 1 1 52 52 GLU N N 52 120.715 120.715 120.196 0.519 18429 9142 1 17 . 1 1 52 52 GLU HA H 52 3.839 3.839 3.997 -0.158 18429 9143 1 17 . 1 1 52 52 GLU C C 52 178.201 178.201 179.047 -0.846 18429 9144 1 17 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.548 0.579 18429 9145 1 17 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.384 -0.138 18429 9146 1 17 . 1 1 52 52 GLU H H 52 8.372 8.372 8.018 0.354 18429 9147 1 17 . 1 1 53 53 LYS N N 53 118.426 118.426 118.978 -0.552 18429 9148 1 17 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.174 -0.044 18429 9149 1 17 . 1 1 53 53 LYS C C 53 179.163 179.163 178.590 0.573 18429 9150 1 17 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.939 1.148 18429 9151 1 17 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.121 0.029 18429 9152 1 17 . 1 1 53 53 LYS H H 53 7.766 7.766 8.178 -0.412 18429 9153 1 17 . 1 1 54 54 PHE N N 54 120.522 120.522 121.328 -0.806 18429 9154 1 17 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.205 -0.103 18429 9155 1 17 . 1 1 54 54 PHE C C 54 176.920 176.920 177.298 -0.378 18429 9156 1 17 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.346 0.191 18429 9157 1 17 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.395 0.016 18429 9158 1 17 . 1 1 54 54 PHE H H 54 7.990 7.990 8.235 -0.245 18429 9159 1 17 . 1 1 55 55 ARG N N 55 120.870 120.870 119.574 1.296 18429 9160 1 17 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.952 -0.126 18429 9161 1 17 . 1 1 55 55 ARG C C 55 178.383 178.383 178.224 0.159 18429 9162 1 17 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.183 0.777 18429 9163 1 17 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.464 2.651 18429 9164 1 17 . 1 1 55 55 ARG H H 55 8.774 8.774 8.132 0.642 18429 9165 1 17 . 1 1 56 56 ASP N N 56 119.776 119.776 118.770 1.006 18429 9166 1 17 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.385 -0.058 18429 9167 1 17 . 1 1 56 56 ASP C C 56 179.398 179.398 178.439 0.959 18429 9168 1 17 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.661 -0.105 18429 9169 1 17 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.763 -0.946 18429 9170 1 17 . 1 1 56 56 ASP H H 56 8.491 8.491 7.889 0.602 18429 9171 1 17 . 1 1 57 57 GLU N N 57 120.418 120.418 118.964 1.454 18429 9172 1 17 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.987 0.066 18429 9173 1 17 . 1 1 57 57 GLU C C 57 179.708 179.708 178.802 0.906 18429 9174 1 17 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.668 0.226 18429 9175 1 17 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.321 0.055 18429 9176 1 17 . 1 1 57 57 GLU H H 57 7.894 7.894 7.539 0.355 18429 9177 1 17 . 1 1 58 58 MET N N 58 119.674 119.674 119.994 -0.320 18429 9178 1 17 . 1 1 58 58 MET HA H 58 4.090 4.090 4.009 0.081 18429 9179 1 17 . 1 1 58 58 MET C C 58 178.137 178.137 177.901 0.236 18429 9180 1 17 . 1 1 58 58 MET CA C 58 58.568 58.568 57.369 1.199 18429 9181 1 17 . 1 1 58 58 MET CB C 58 31.846 31.846 32.039 -0.193 18429 9182 1 17 . 1 1 58 58 MET H H 58 8.352 8.352 8.109 0.243 18429 9183 1 17 . 1 1 59 59 GLU N N 59 119.770 119.770 118.725 1.045 18429 9184 1 17 . 1 1 59 59 GLU HA H 59 3.950 3.950 4.015 -0.065 18429 9185 1 17 . 1 1 59 59 GLU C C 59 178.939 178.939 178.811 0.128 18429 9186 1 17 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.543 0.201 18429 9187 1 17 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.486 -0.309 18429 9188 1 17 . 1 1 59 59 GLU H H 59 8.717 8.717 8.199 0.518 18429 9189 1 17 . 1 1 60 60 GLN N N 60 117.895 117.895 119.596 -1.701 18429 9190 1 17 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.097 -0.126 18429 9191 1 17 . 1 1 60 60 GLN C C 60 178.052 178.052 178.631 -0.579 18429 9192 1 17 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.533 -0.279 18429 9193 1 17 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.454 -0.336 18429 9194 1 17 . 1 1 60 60 GLN H H 60 7.613 7.613 7.530 0.083 18429 9195 1 17 . 1 1 61 61 MET N N 61 118.464 118.464 118.954 -0.490 18429 9196 1 17 . 1 1 61 61 MET HA H 61 4.080 4.080 4.145 -0.065 18429 9197 1 17 . 1 1 61 61 MET C C 61 178.545 178.545 178.416 0.129 18429 9198 1 17 . 1 1 61 61 MET CA C 61 58.972 58.972 59.130 -0.158 18429 9199 1 17 . 1 1 61 61 MET CB C 61 32.309 32.309 32.828 -0.519 18429 9200 1 17 . 1 1 61 61 MET H H 61 7.943 7.943 7.963 -0.020 18429 9201 1 17 . 1 1 62 62 TYR N N 62 119.118 119.118 121.138 -2.020 18429 9202 1 17 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.201 -0.041 18429 9203 1 17 . 1 1 62 62 TYR C C 62 176.118 176.118 176.456 -0.338 18429 9204 1 17 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.743 -0.492 18429 9205 1 17 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.458 -0.069 18429 9206 1 17 . 1 1 62 62 TYR H H 62 8.313 8.313 8.010 0.303 18429 9207 1 17 . 1 1 63 63 LYS N N 63 117.899 117.899 118.069 -0.170 18429 9208 1 17 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.743 0.053 18429 9209 1 17 . 1 1 63 63 LYS C C 63 178.470 178.470 177.937 0.533 18429 9210 1 17 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.506 0.296 18429 9211 1 17 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.304 -0.286 18429 9212 1 17 . 1 1 63 63 LYS H H 63 7.806 7.806 7.812 -0.006 18429 9213 1 17 . 1 1 64 64 ASP N N 64 116.931 116.931 118.226 -1.295 18429 9214 1 17 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.444 0.041 18429 9215 1 17 . 1 1 64 64 ASP C C 64 176.460 176.460 175.923 0.537 18429 9216 1 17 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.752 -0.112 18429 9217 1 17 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.705 -0.509 18429 9218 1 17 . 1 1 64 64 ASP H H 64 7.771 7.771 7.767 0.004 18429 9219 1 17 . 1 1 65 65 ALA N N 65 121.417 121.417 120.939 0.478 18429 9220 1 17 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.676 -0.084 18429 9221 1 17 . 1 1 65 65 ALA C C 65 180.460 180.460 174.603 5.857 18429 9222 1 17 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.638 0.585 18429 9223 1 17 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.819 -1.544 18429 9224 1 17 . 1 1 65 65 ALA H H 65 7.536 7.536 7.517 0.019 18429 9225 1 17 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.374 -0.402 18429 9226 1 17 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.850 1.209 18429 9227 1 17 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.169 0.208 18429 9228 1 17 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.775 -0.325 18429 9229 1 17 . 1 1 67 67 ASN CA C 67 56.342 56.342 51.858 4.484 18429 9230 1 17 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.636 1.947 18429 9231 1 17 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.912 0.375 18429 9232 1 17 . 1 1 68 68 ALA C C 68 180.039 180.039 178.286 1.753 18429 9233 1 17 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.193 0.765 18429 9234 1 17 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.505 1.332 18429 9235 1 17 . 1 1 69 69 VAL N N 69 119.699 119.699 120.494 -0.795 18429 9236 1 17 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.659 0.150 18429 9237 1 17 . 1 1 69 69 VAL C C 69 178.578 178.578 177.454 1.124 18429 9238 1 17 . 1 1 69 69 VAL CA C 69 65.910 65.910 66.423 -0.513 18429 9239 1 17 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.766 -0.445 18429 9240 1 17 . 1 1 69 69 VAL H H 69 7.968 7.968 8.016 -0.048 18429 9241 1 17 . 1 1 70 70 MET N N 70 119.158 119.158 118.444 0.714 18429 9242 1 17 . 1 1 70 70 MET HA H 70 4.411 4.411 4.006 0.405 18429 9243 1 17 . 1 1 70 70 MET C C 70 177.858 177.858 177.406 0.452 18429 9244 1 17 . 1 1 70 70 MET CA C 70 56.540 56.540 59.064 -2.524 18429 9245 1 17 . 1 1 70 70 MET CB C 70 31.927 31.927 32.355 -0.428 18429 9246 1 17 . 1 1 70 70 MET H H 70 8.195 8.195 7.921 0.274 18429 9247 1 17 . 1 1 71 71 GLU N N 71 119.109 119.109 119.033 0.076 18429 9248 1 17 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.208 0.314 18429 9249 1 17 . 1 1 71 71 GLU C C 71 178.949 178.949 178.243 0.706 18429 9250 1 17 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.541 0.260 18429 9251 1 17 . 1 1 71 71 GLU CB C 71 29.687 29.687 28.956 0.731 18429 9252 1 17 . 1 1 71 71 GLU H H 71 8.122 8.122 7.618 0.504 18429 9253 1 17 . 1 1 72 72 GLN N N 72 118.471 118.471 119.212 -0.741 18429 9254 1 17 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.039 0.083 18429 9255 1 17 . 1 1 72 72 GLN C C 72 178.597 178.597 178.505 0.092 18429 9256 1 17 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.640 -0.125 18429 9257 1 17 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.372 -0.261 18429 9258 1 17 . 1 1 72 72 GLN H H 72 7.662 7.662 7.731 -0.069 18429 9259 1 17 . 1 1 73 73 LEU N N 73 120.880 120.880 119.410 1.470 18429 9260 1 17 . 1 1 73 73 LEU HA H 73 4.044 4.044 3.978 0.066 18429 9261 1 17 . 1 1 73 73 LEU C C 73 178.992 178.992 179.381 -0.389 18429 9262 1 17 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.398 0.649 18429 9263 1 17 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.643 -0.266 18429 9264 1 17 . 1 1 73 73 LEU H H 73 8.170 8.170 7.503 0.667 18429 9265 1 17 . 1 1 74 74 LEU N N 74 119.628 119.628 119.672 -0.044 18429 9266 1 17 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.874 0.078 18429 9267 1 17 . 1 1 74 74 LEU C C 74 179.088 179.088 179.000 0.088 18429 9268 1 17 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.501 -0.727 18429 9269 1 17 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.347 -0.280 18429 9270 1 17 . 1 1 74 74 LEU H H 74 8.396 8.396 7.391 1.005 18429 9271 1 17 . 1 1 75 75 GLU N N 75 119.588 119.588 118.426 1.162 18429 9272 1 17 . 1 1 75 75 GLU HA H 75 4.045 4.045 4.093 -0.048 18429 9273 1 17 . 1 1 75 75 GLU C C 75 179.772 179.772 179.256 0.516 18429 9274 1 17 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.114 0.147 18429 9275 1 17 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.314 -0.446 18429 9276 1 17 . 1 1 75 75 GLU H H 75 7.622 7.622 7.609 0.013 18429 9277 1 17 . 1 1 76 76 GLU N N 76 118.750 118.750 118.359 0.391 18429 9278 1 17 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.112 -0.023 18429 9279 1 17 . 1 1 76 76 GLU C C 76 180.103 180.103 179.028 1.075 18429 9280 1 17 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.662 0.447 18429 9281 1 17 . 1 1 76 76 GLU CB C 76 29.365 29.365 28.979 0.386 18429 9282 1 17 . 1 1 76 76 GLU H H 76 8.127 8.127 8.147 -0.020 18429 9283 1 17 . 1 1 77 77 ILE N N 77 121.044 121.044 119.805 1.239 18429 9284 1 17 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.759 0.065 18429 9285 1 17 . 1 1 77 77 ILE C C 77 177.219 177.219 178.078 -0.859 18429 9286 1 17 . 1 1 77 77 ILE CA C 77 64.546 64.546 64.773 -0.227 18429 9287 1 17 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.921 -0.774 18429 9288 1 17 . 1 1 77 77 ILE H H 77 8.715 8.715 7.417 1.298 18429 9289 1 17 . 1 1 78 78 GLU N N 78 121.847 121.847 119.834 2.013 18429 9290 1 17 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.949 0.093 18429 9291 1 17 . 1 1 78 78 GLU C C 78 179.644 179.644 179.124 0.520 18429 9292 1 17 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.584 -0.098 18429 9293 1 17 . 1 1 78 78 GLU CB C 78 28.986 28.986 28.732 0.254 18429 9294 1 17 . 1 1 78 78 GLU H H 78 8.161 8.161 7.818 0.343 18429 9295 1 17 . 1 1 79 79 LYS N N 79 118.842 118.842 119.516 -0.674 18429 9296 1 17 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.072 -0.110 18429 9297 1 17 . 1 1 79 79 LYS C C 79 179.729 179.729 178.998 0.731 18429 9298 1 17 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.767 0.974 18429 9299 1 17 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.770 0.660 18429 9300 1 17 . 1 1 79 79 LYS H H 79 7.756 7.756 8.033 -0.277 18429 9301 1 17 . 1 1 80 80 LEU N N 80 120.440 120.440 119.549 0.891 18429 9302 1 17 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.196 -0.143 18429 9303 1 17 . 1 1 80 80 LEU C C 80 178.939 178.939 179.011 -0.072 18429 9304 1 17 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.125 0.830 18429 9305 1 17 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.654 0.022 18429 9306 1 17 . 1 1 80 80 LEU H H 80 7.805 7.805 7.301 0.504 18429 9307 1 17 . 1 1 81 81 LEU N N 81 119.519 119.519 120.324 -0.805 18429 9308 1 17 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.894 0.060 18429 9309 1 17 . 1 1 81 81 LEU C C 81 179.366 179.366 179.539 -0.173 18429 9310 1 17 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.188 -0.412 18429 9311 1 17 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.255 0.362 18429 9312 1 17 . 1 1 81 81 LEU H H 81 8.423 8.423 8.294 0.129 18429 9313 1 17 . 1 1 82 82 LYS N N 82 119.070 119.070 119.430 -0.360 18429 9314 1 17 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.007 0.124 18429 9315 1 17 . 1 1 82 82 LYS C C 82 179.237 179.237 178.512 0.725 18429 9316 1 17 . 1 1 82 82 LYS CA C 82 58.872 58.872 59.305 -0.433 18429 9317 1 17 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.301 -0.089 18429 9318 1 17 . 1 1 82 82 LYS H H 82 7.804 7.804 7.903 -0.099 18429 9319 1 17 . 1 1 83 83 LYS N N 83 119.647 119.647 118.041 1.606 18429 9320 1 17 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.119 0.122 18429 9321 1 17 . 1 1 83 83 LYS C C 83 178.234 178.234 177.570 0.664 18429 9322 1 17 . 1 1 83 83 LYS CA C 83 57.328 57.328 58.361 -1.033 18429 9323 1 17 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.657 -0.468 18429 9324 1 17 . 1 1 83 83 LYS H H 83 7.737 7.737 7.700 0.037 18429 9325 1 17 . 1 1 84 84 ALA N N 84 122.121 122.121 119.509 2.612 18429 9326 1 17 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.324 -0.254 18429 9327 1 17 . 1 1 84 84 ALA C C 84 179.003 179.003 177.694 1.309 18429 9328 1 17 . 1 1 84 84 ALA CA C 84 53.922 53.922 53.326 0.596 18429 9329 1 17 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.981 -1.806 18429 9330 1 17 . 1 1 84 84 ALA H H 84 8.259 8.259 7.784 0.475 18429 9331 1 17 . 1 1 85 85 GLY N N 85 105.518 105.518 106.691 -1.173 18429 9332 1 17 . 1 1 85 85 GLY C C 85 174.759 174.759 174.352 0.407 18429 9333 1 17 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.592 1.145 18429 9334 1 17 . 1 1 85 85 GLY H H 85 8.191 8.191 7.693 0.498 18429 9335 1 17 . 1 1 86 86 SER N N 86 114.680 114.680 120.214 -5.534 18429 9336 1 17 . 1 1 86 86 SER HA H 86 4.512 4.512 4.436 0.076 18429 9337 1 17 . 1 1 86 86 SER C C 86 174.452 174.452 175.055 -0.603 18429 9338 1 17 . 1 1 86 86 SER CA C 86 58.641 58.641 58.379 0.262 18429 9339 1 17 . 1 1 86 86 SER CB C 86 63.751 63.751 62.244 1.507 18429 9340 1 17 . 1 1 86 86 SER H H 86 7.884 7.884 8.396 -0.512 18429 9341 1 17 . 1 1 87 87 LEU N N 87 122.300 122.300 120.176 2.124 18429 9342 1 17 . 1 1 87 87 LEU HA H 87 4.332 4.332 3.909 0.423 18429 9343 1 17 . 1 1 87 87 LEU C C 87 176.845 176.845 175.920 0.925 18429 9344 1 17 . 1 1 87 87 LEU CA C 87 54.992 54.992 56.237 -1.245 18429 9345 1 17 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.322 1.602 18429 9346 1 17 . 1 1 87 87 LEU H H 87 7.806 7.806 7.894 -0.088 18429 9347 1 17 . 1 1 88 88 VAL N N 88 120.869 120.869 116.238 4.631 18429 9348 1 17 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.444 -0.057 18429 9349 1 17 . 1 1 88 88 VAL C C 88 174.367 174.367 175.367 -1.000 18429 9350 1 17 . 1 1 88 88 VAL CA C 88 59.756 59.756 59.549 0.207 18429 9351 1 17 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.700 0.678 18429 9352 1 17 . 1 1 88 88 VAL H H 88 7.849 7.849 7.690 0.159 18429 9353 1 17 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.631 -0.219 18429 9354 1 17 . 1 1 89 89 PRO C C 89 176.898 176.898 176.205 0.693 18429 9355 1 17 . 1 1 89 89 PRO CA C 89 62.929 62.929 61.972 0.957 18429 9356 1 17 . 1 1 89 89 PRO CB C 89 31.926 31.926 32.442 -0.516 18429 9357 1 17 . 1 1 90 90 ARG N N 90 121.893 121.893 120.771 1.122 18429 9358 1 17 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.196 0.095 18429 9359 1 17 . 1 1 90 90 ARG C C 90 177.081 177.081 176.598 0.483 18429 9360 1 17 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.122 0.203 18429 9361 1 17 . 1 1 90 90 ARG CB C 90 30.554 30.554 29.967 0.587 18429 9362 1 17 . 1 1 90 90 ARG H H 90 8.528 8.528 8.486 0.042 18429 9363 1 17 . 1 1 91 91 GLY N N 91 109.932 109.932 114.456 -4.524 18429 9364 1 17 . 1 1 91 91 GLY C C 91 174.324 174.324 173.493 0.831 18429 9365 1 17 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.679 0.614 18429 9366 1 17 . 1 1 91 91 GLY H H 91 8.551 8.551 8.375 0.176 18429 9367 1 17 . 1 1 92 92 SER N N 92 115.612 115.612 114.969 0.643 18429 9368 1 17 . 1 1 92 92 SER HA H 92 4.407 4.407 4.061 0.346 18429 9369 1 17 . 1 1 92 92 SER C C 92 174.463 174.463 173.692 0.771 18429 9370 1 17 . 1 1 92 92 SER CA C 92 58.310 58.310 58.650 -0.340 18429 9371 1 17 . 1 1 92 92 SER CB C 92 63.616 63.616 63.468 0.148 18429 9372 1 17 . 1 1 92 92 SER H H 92 8.183 8.183 7.952 0.231 18429 9373 1 17 . 1 1 93 93 TYR N N 93 122.140 122.140 123.397 -1.257 18429 9374 1 17 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.513 -0.007 18429 9375 1 17 . 1 1 93 93 TYR C C 93 175.659 175.659 175.514 0.145 18429 9376 1 17 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.602 0.503 18429 9377 1 17 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.267 0.024 18429 9378 1 17 . 1 1 93 93 TYR H H 93 8.206 8.206 8.382 -0.176 18429 9379 1 17 . 1 1 94 94 LEU N N 94 123.025 123.025 129.068 -6.043 18429 9380 1 17 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.544 -0.345 18429 9381 1 17 . 1 1 94 94 LEU C C 94 177.037 177.037 176.514 0.523 18429 9382 1 17 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.268 0.677 18429 9383 1 17 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.079 0.087 18429 9384 1 17 . 1 1 94 94 LEU H H 94 8.007 8.007 8.512 -0.505 18429 9385 1 17 . 1 1 95 95 GLU N N 95 120.848 120.848 125.064 -4.216 18429 9386 1 17 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.340 -0.224 18429 9387 1 17 . 1 1 95 95 GLU C C 95 176.268 176.268 175.699 0.569 18429 9388 1 17 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.416 0.297 18429 9389 1 17 . 1 1 95 95 GLU CB C 95 30.046 30.046 28.426 1.620 18429 9390 1 17 . 1 1 95 95 GLU H H 95 8.141 8.141 9.011 -0.870 18429 9391 1 17 . 1 1 96 96 HIS N N 96 119.288 119.288 123.286 -3.998 18429 9392 1 17 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.623 -0.053 18429 9393 1 17 . 1 1 96 96 HIS C C 96 174.100 174.100 174.985 -0.885 18429 9394 1 17 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.951 -0.112 18429 9395 1 17 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.523 -0.119 18429 9396 1 17 . 1 1 96 96 HIS H H 96 8.144 8.144 8.524 -0.380 18429 9397 1 17 . 1 1 97 97 HIS N N 97 125.622 125.622 119.149 6.473 18429 9398 1 17 . 1 1 97 97 HIS C C 97 179.480 179.480 174.236 5.244 18429 9399 1 17 . 1 1 97 97 HIS CA C 97 57.447 57.447 54.624 2.822 18429 9400 1 17 . 1 1 97 97 HIS CB C 97 30.754 30.754 27.043 3.711 18429 9401 1 17 . 1 1 97 97 HIS H H 97 8.017 8.017 7.917 0.100 18429 9402 1 18 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.554 -0.238 18429 9403 1 18 . 1 1 2 2 GLN C C 2 177.028 177.028 175.109 1.919 18429 9404 1 18 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.482 0.318 18429 9405 1 18 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.711 -0.827 18429 9406 1 18 . 1 1 3 3 GLU N N 3 123.654 123.654 124.549 -0.895 18429 9407 1 18 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.075 0.002 18429 9408 1 18 . 1 1 3 3 GLU C C 3 177.945 177.945 175.750 2.195 18429 9409 1 18 . 1 1 3 3 GLU CA C 3 59.110 59.110 56.781 2.329 18429 9410 1 18 . 1 1 3 3 GLU CB C 3 29.343 29.343 30.227 -0.884 18429 9411 1 18 . 1 1 3 3 GLU H H 3 8.995 8.995 8.672 0.323 18429 9412 1 18 . 1 1 4 4 GLU N N 4 119.237 119.237 119.749 -0.512 18429 9413 1 18 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.057 0.012 18429 9414 1 18 . 1 1 4 4 GLU C C 4 178.815 178.815 176.068 2.747 18429 9415 1 18 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.418 1.734 18429 9416 1 18 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.084 0.134 18429 9417 1 18 . 1 1 4 4 GLU H H 4 8.837 8.837 8.551 0.286 18429 9418 1 18 . 1 1 5 5 ARG N N 5 120.052 120.052 117.723 2.329 18429 9419 1 18 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.068 -0.117 18429 9420 1 18 . 1 1 5 5 ARG C C 5 177.324 177.324 177.930 -0.606 18429 9421 1 18 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.524 0.717 18429 9422 1 18 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.031 -0.050 18429 9423 1 18 . 1 1 5 5 ARG H H 5 7.884 7.884 8.155 -0.271 18429 9424 1 18 . 1 1 6 6 LYS N N 6 119.327 119.327 119.069 0.258 18429 9425 1 18 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.174 -0.194 18429 9426 1 18 . 1 1 6 6 LYS C C 6 178.939 178.939 178.832 0.107 18429 9427 1 18 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.550 0.782 18429 9428 1 18 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.683 0.471 18429 9429 1 18 . 1 1 6 6 LYS H H 6 7.998 7.998 8.389 -0.391 18429 9430 1 18 . 1 1 7 7 LYS N N 7 117.908 117.908 120.454 -2.546 18429 9431 1 18 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.071 0.025 18429 9432 1 18 . 1 1 7 7 LYS C C 7 179.332 179.332 178.943 0.389 18429 9433 1 18 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.528 0.239 18429 9434 1 18 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.598 0.699 18429 9435 1 18 . 1 1 7 7 LYS H H 7 7.917 7.917 8.045 -0.128 18429 9436 1 18 . 1 1 8 8 LEU N N 8 120.724 120.724 120.430 0.294 18429 9437 1 18 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.013 0.036 18429 9438 1 18 . 1 1 8 8 LEU C C 8 178.490 178.490 178.051 0.439 18429 9439 1 18 . 1 1 8 8 LEU CA C 8 57.689 57.689 58.144 -0.455 18429 9440 1 18 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.970 -0.365 18429 9441 1 18 . 1 1 8 8 LEU H H 8 7.686 7.686 7.841 -0.155 18429 9442 1 18 . 1 1 9 9 LEU N N 9 118.886 118.886 115.232 3.654 18429 9443 1 18 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.116 -0.178 18429 9444 1 18 . 1 1 9 9 LEU C C 9 178.981 178.981 178.714 0.267 18429 9445 1 18 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.622 0.336 18429 9446 1 18 . 1 1 9 9 LEU CB C 9 40.842 40.842 40.883 -0.041 18429 9447 1 18 . 1 1 9 9 LEU H H 9 8.158 8.158 7.618 0.540 18429 9448 1 18 . 1 1 10 10 GLU N N 10 119.000 119.000 120.917 -1.917 18429 9449 1 18 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.926 0.126 18429 9450 1 18 . 1 1 10 10 GLU C C 10 179.601 179.601 178.296 1.305 18429 9451 1 18 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.461 -0.182 18429 9452 1 18 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.602 -0.316 18429 9453 1 18 . 1 1 10 10 GLU H H 10 8.069 8.069 8.357 -0.288 18429 9454 1 18 . 1 1 11 11 LYS N N 11 119.446 119.446 119.818 -0.372 18429 9455 1 18 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.123 -0.040 18429 9456 1 18 . 1 1 11 11 LYS C C 11 178.971 178.971 178.736 0.235 18429 9457 1 18 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.563 0.209 18429 9458 1 18 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.203 -0.207 18429 9459 1 18 . 1 1 11 11 LYS H H 11 7.676 7.676 7.760 -0.084 18429 9460 1 18 . 1 1 12 12 LEU N N 12 120.017 120.017 120.578 -0.561 18429 9461 1 18 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.904 -0.020 18429 9462 1 18 . 1 1 12 12 LEU C C 12 177.977 177.977 178.464 -0.487 18429 9463 1 18 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.294 -0.569 18429 9464 1 18 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.831 -0.254 18429 9465 1 18 . 1 1 12 12 LEU H H 12 8.378 8.378 7.831 0.547 18429 9466 1 18 . 1 1 13 13 GLU N N 13 117.914 117.914 117.993 -0.079 18429 9467 1 18 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.797 -0.101 18429 9468 1 18 . 1 1 13 13 GLU C C 13 177.934 177.934 178.970 -1.036 18429 9469 1 18 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.798 0.318 18429 9470 1 18 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.144 0.254 18429 9471 1 18 . 1 1 13 13 GLU H H 13 8.458 8.458 8.143 0.315 18429 9472 1 18 . 1 1 14 14 LYS N N 14 117.629 117.629 118.297 -0.668 18429 9473 1 18 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.057 0.078 18429 9474 1 18 . 1 1 14 14 LYS C C 14 179.227 179.227 179.216 0.011 18429 9475 1 18 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.657 0.209 18429 9476 1 18 . 1 1 14 14 LYS CB C 14 32.127 32.127 31.841 0.286 18429 9477 1 18 . 1 1 14 14 LYS H H 14 7.365 7.365 7.930 -0.565 18429 9478 1 18 . 1 1 15 15 ILE N N 15 119.583 119.583 120.140 -0.557 18429 9479 1 18 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.902 -0.125 18429 9480 1 18 . 1 1 15 15 ILE C C 15 178.009 178.009 178.517 -0.508 18429 9481 1 18 . 1 1 15 15 ILE CA C 15 64.889 64.889 64.966 -0.077 18429 9482 1 18 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.805 0.395 18429 9483 1 18 . 1 1 15 15 ILE H H 15 7.726 7.726 7.529 0.198 18429 9484 1 18 . 1 1 16 16 LEU N N 16 118.601 118.601 119.900 -1.299 18429 9485 1 18 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.893 -0.040 18429 9486 1 18 . 1 1 16 16 LEU C C 16 179.729 179.729 178.879 0.850 18429 9487 1 18 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.403 -0.561 18429 9488 1 18 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.744 -0.107 18429 9489 1 18 . 1 1 16 16 LEU H H 16 8.372 8.372 7.912 0.460 18429 9490 1 18 . 1 1 17 17 ASP N N 17 120.008 120.008 120.316 -0.308 18429 9491 1 18 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.432 -0.096 18429 9492 1 18 . 1 1 17 17 ASP C C 17 178.148 178.148 179.138 -0.990 18429 9493 1 18 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.813 -0.524 18429 9494 1 18 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.650 -0.382 18429 9495 1 18 . 1 1 17 17 ASP H H 17 8.192 8.192 8.202 -0.010 18429 9496 1 18 . 1 1 18 18 GLU N N 18 119.362 119.362 119.738 -0.376 18429 9497 1 18 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.205 -0.054 18429 9498 1 18 . 1 1 18 18 GLU C C 18 179.653 179.653 178.834 0.819 18429 9499 1 18 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.654 0.601 18429 9500 1 18 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.808 -0.608 18429 9501 1 18 . 1 1 18 18 GLU H H 18 7.860 7.860 7.789 0.071 18429 9502 1 18 . 1 1 19 19 VAL N N 19 118.483 118.483 118.691 -0.208 18429 9503 1 18 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.742 0.084 18429 9504 1 18 . 1 1 19 19 VAL C C 19 177.496 177.496 177.895 -0.399 18429 9505 1 18 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.483 -1.586 18429 9506 1 18 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.030 -0.221 18429 9507 1 18 . 1 1 19 19 VAL H H 19 8.416 8.416 7.884 0.532 18429 9508 1 18 . 1 1 20 20 THR N N 20 112.904 112.904 113.725 -0.821 18429 9509 1 18 . 1 1 20 20 THR HA H 20 3.856 3.856 4.059 -0.203 18429 9510 1 18 . 1 1 20 20 THR C C 20 175.894 175.894 175.885 0.009 18429 9511 1 18 . 1 1 20 20 THR CA C 20 65.696 65.696 65.418 0.278 18429 9512 1 18 . 1 1 20 20 THR CB C 20 68.587 68.587 68.826 -0.239 18429 9513 1 18 . 1 1 20 20 THR H H 20 7.985 7.985 7.898 0.087 18429 9514 1 18 . 1 1 21 21 ASP N N 21 120.510 120.510 121.870 -1.360 18429 9515 1 18 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.607 -0.164 18429 9516 1 18 . 1 1 21 21 ASP C C 21 177.358 177.358 175.673 1.685 18429 9517 1 18 . 1 1 21 21 ASP CA C 21 56.368 56.368 54.363 2.005 18429 9518 1 18 . 1 1 21 21 ASP CB C 21 40.873 40.873 39.867 1.006 18429 9519 1 18 . 1 1 21 21 ASP H H 21 7.935 7.935 7.936 -0.001 18429 9520 1 18 . 1 1 22 22 GLY N N 22 106.730 106.730 109.958 -3.228 18429 9521 1 18 . 1 1 22 22 GLY C C 22 174.004 174.004 173.345 0.659 18429 9522 1 18 . 1 1 22 22 GLY CA C 22 44.827 44.827 45.068 -0.241 18429 9523 1 18 . 1 1 22 22 GLY H H 22 7.939 7.939 7.676 0.263 18429 9524 1 18 . 1 1 23 23 ALA N N 23 124.286 124.286 124.289 -0.003 18429 9525 1 18 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.500 0.008 18429 9526 1 18 . 1 1 23 23 ALA C C 23 174.921 174.921 175.868 -0.947 18429 9527 1 18 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.594 -0.243 18429 9528 1 18 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.563 -1.059 18429 9529 1 18 . 1 1 23 23 ALA H H 23 7.531 7.531 7.580 -0.049 18429 9530 1 18 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.549 0.014 18429 9531 1 18 . 1 1 24 24 PRO C C 24 177.571 177.571 176.631 0.940 18429 9532 1 18 . 1 1 24 24 PRO CA C 24 62.490 62.490 63.044 -0.554 18429 9533 1 18 . 1 1 24 24 PRO CB C 24 32.098 32.098 31.660 0.438 18429 9534 1 18 . 1 1 25 25 ASP N N 25 122.828 122.828 118.174 4.654 18429 9535 1 18 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.151 0.104 18429 9536 1 18 . 1 1 25 25 ASP C C 25 178.298 178.298 177.832 0.466 18429 9537 1 18 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.946 0.117 18429 9538 1 18 . 1 1 25 25 ASP CB C 25 40.517 40.517 39.611 0.906 18429 9539 1 18 . 1 1 25 25 ASP H H 25 8.779 8.779 8.609 0.170 18429 9540 1 18 . 1 1 26 26 GLU N N 26 117.055 117.055 120.240 -3.185 18429 9541 1 18 . 1 1 26 26 GLU HA H 26 4.135 4.135 3.956 0.179 18429 9542 1 18 . 1 1 26 26 GLU C C 26 177.454 177.454 178.109 -0.655 18429 9543 1 18 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.875 0.349 18429 9544 1 18 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.439 -0.885 18429 9545 1 18 . 1 1 26 26 GLU H H 26 9.324 9.324 8.308 1.016 18429 9546 1 18 . 1 1 27 27 ALA N N 27 120.789 120.789 119.080 1.709 18429 9547 1 18 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.553 -0.142 18429 9548 1 18 . 1 1 27 27 ALA C C 27 178.065 178.065 178.326 -0.261 18429 9549 1 18 . 1 1 27 27 ALA CA C 27 52.879 52.879 51.914 0.965 18429 9550 1 18 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.718 1.178 18429 9551 1 18 . 1 1 27 27 ALA H H 27 7.474 7.474 8.216 -0.742 18429 9552 1 18 . 1 1 28 28 ARG N N 28 118.872 118.872 120.861 -1.989 18429 9553 1 18 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.982 -0.307 18429 9554 1 18 . 1 1 28 28 ARG C C 28 177.550 177.550 177.700 -0.150 18429 9555 1 18 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.898 0.704 18429 9556 1 18 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.232 -0.688 18429 9557 1 18 . 1 1 28 28 ARG H H 28 7.803 7.803 7.768 0.035 18429 9558 1 18 . 1 1 29 29 GLU N N 29 117.512 117.512 118.021 -0.509 18429 9559 1 18 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.181 -0.139 18429 9560 1 18 . 1 1 29 29 GLU C C 29 179.122 179.122 179.203 -0.081 18429 9561 1 18 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.092 0.515 18429 9562 1 18 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.672 0.569 18429 9563 1 18 . 1 1 29 29 GLU H H 29 8.490 8.490 8.421 0.069 18429 9564 1 18 . 1 1 30 30 ARG N N 30 119.240 119.240 119.061 0.179 18429 9565 1 18 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.185 -0.051 18429 9566 1 18 . 1 1 30 30 ARG C C 30 179.248 179.248 178.924 0.324 18429 9567 1 18 . 1 1 30 30 ARG CA C 30 58.829 58.829 57.951 0.878 18429 9568 1 18 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.510 0.355 18429 9569 1 18 . 1 1 30 30 ARG H H 30 7.789 7.789 7.389 0.400 18429 9570 1 18 . 1 1 31 31 ILE N N 31 120.920 120.920 121.150 -0.230 18429 9571 1 18 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.869 -0.131 18429 9572 1 18 . 1 1 31 31 ILE C C 31 177.089 177.089 178.361 -1.272 18429 9573 1 18 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.633 -1.815 18429 9574 1 18 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.890 -0.805 18429 9575 1 18 . 1 1 31 31 ILE H H 31 8.256 8.256 7.805 0.451 18429 9576 1 18 . 1 1 32 32 GLU N N 32 120.281 120.281 119.637 0.644 18429 9577 1 18 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.989 -0.053 18429 9578 1 18 . 1 1 32 32 GLU C C 32 179.429 179.429 178.950 0.479 18429 9579 1 18 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.637 -0.078 18429 9580 1 18 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.373 0.030 18429 9581 1 18 . 1 1 32 32 GLU H H 32 8.697 8.697 8.397 0.300 18429 9582 1 18 . 1 1 33 33 LYS N N 33 119.737 119.737 120.282 -0.545 18429 9583 1 18 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.107 -0.049 18429 9584 1 18 . 1 1 33 33 LYS C C 33 178.159 178.159 178.915 -0.756 18429 9585 1 18 . 1 1 33 33 LYS CA C 33 59.411 59.411 58.691 0.720 18429 9586 1 18 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.171 -0.121 18429 9587 1 18 . 1 1 33 33 LYS H H 33 7.764 7.764 7.827 -0.063 18429 9588 1 18 . 1 1 34 34 LEU N N 34 120.133 120.133 120.219 -0.086 18429 9589 1 18 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.423 -0.191 18429 9590 1 18 . 1 1 34 34 LEU C C 34 178.629 178.629 178.753 -0.124 18429 9591 1 18 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.472 0.035 18429 9592 1 18 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.730 0.067 18429 9593 1 18 . 1 1 34 34 LEU H H 34 7.790 7.790 7.989 -0.199 18429 9594 1 18 . 1 1 35 35 ALA N N 35 119.492 119.492 121.588 -2.096 18429 9595 1 18 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.800 -0.032 18429 9596 1 18 . 1 1 35 35 ALA C C 35 179.297 179.297 179.600 -0.303 18429 9597 1 18 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.286 -0.263 18429 9598 1 18 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.067 0.124 18429 9599 1 18 . 1 1 35 35 ALA H H 35 8.634 8.634 8.292 0.342 18429 9600 1 18 . 1 1 36 36 LYS N N 36 118.470 118.470 118.896 -0.426 18429 9601 1 18 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.940 -0.009 18429 9602 1 18 . 1 1 36 36 LYS C C 36 178.223 178.223 178.967 -0.744 18429 9603 1 18 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.880 -0.685 18429 9604 1 18 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.211 -0.155 18429 9605 1 18 . 1 1 36 36 LYS H H 36 7.704 7.704 7.659 0.045 18429 9606 1 18 . 1 1 37 37 ASP N N 37 120.075 120.075 119.266 0.809 18429 9607 1 18 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.420 -0.017 18429 9608 1 18 . 1 1 37 37 ASP C C 37 179.334 179.334 178.499 0.835 18429 9609 1 18 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.318 -0.137 18429 9610 1 18 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.747 -0.770 18429 9611 1 18 . 1 1 37 37 ASP H H 37 8.203 8.203 7.707 0.496 18429 9612 1 18 . 1 1 38 38 VAL N N 38 118.202 118.202 120.063 -1.861 18429 9613 1 18 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.618 0.005 18429 9614 1 18 . 1 1 38 38 VAL C C 38 177.017 177.017 177.680 -0.663 18429 9615 1 18 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.049 -0.381 18429 9616 1 18 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.983 0.254 18429 9617 1 18 . 1 1 38 38 VAL H H 38 8.215 8.215 8.096 0.119 18429 9618 1 18 . 1 1 39 39 LYS N N 39 119.236 119.236 119.215 0.021 18429 9619 1 18 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.944 -0.134 18429 9620 1 18 . 1 1 39 39 LYS C C 39 178.575 178.575 179.189 -0.614 18429 9621 1 18 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.096 0.617 18429 9622 1 18 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.490 0.601 18429 9623 1 18 . 1 1 39 39 LYS H H 39 7.780 7.780 7.799 -0.019 18429 9624 1 18 . 1 1 40 40 ASP N N 40 118.227 118.227 119.017 -0.790 18429 9625 1 18 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.370 0.082 18429 9626 1 18 . 1 1 40 40 ASP C C 40 178.137 178.137 178.237 -0.100 18429 9627 1 18 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.472 -1.050 18429 9628 1 18 . 1 1 40 40 ASP CB C 40 40.410 40.410 41.066 -0.656 18429 9629 1 18 . 1 1 40 40 ASP H H 40 8.273 8.273 7.745 0.528 18429 9630 1 18 . 1 1 41 41 GLU N N 41 119.896 119.896 118.108 1.788 18429 9631 1 18 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.194 0.037 18429 9632 1 18 . 1 1 41 41 GLU C C 41 177.849 177.849 178.761 -0.912 18429 9633 1 18 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.981 -0.596 18429 9634 1 18 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.663 0.068 18429 9635 1 18 . 1 1 41 41 GLU H H 41 7.875 7.875 7.610 0.265 18429 9636 1 18 . 1 1 42 42 LEU N N 42 119.906 119.906 118.587 1.319 18429 9637 1 18 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.005 0.119 18429 9638 1 18 . 1 1 42 42 LEU C C 42 178.276 178.276 177.890 0.386 18429 9639 1 18 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.732 -0.019 18429 9640 1 18 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.816 0.332 18429 9641 1 18 . 1 1 42 42 LEU H H 42 7.952 7.952 8.026 -0.074 18429 9642 1 18 . 1 1 43 43 GLU N N 43 117.735 117.735 118.364 -0.629 18429 9643 1 18 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.017 0.118 18429 9644 1 18 . 1 1 43 43 GLU C C 43 177.582 177.582 177.346 0.236 18429 9645 1 18 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.808 -0.004 18429 9646 1 18 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.263 -0.692 18429 9647 1 18 . 1 1 43 43 GLU H H 43 8.020 8.020 7.515 0.505 18429 9648 1 18 . 1 1 44 44 GLU N N 44 116.308 116.308 115.724 0.584 18429 9649 1 18 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.521 -0.105 18429 9650 1 18 . 1 1 44 44 GLU C C 44 177.133 177.133 176.371 0.762 18429 9651 1 18 . 1 1 44 44 GLU CA C 44 56.448 56.448 55.844 0.604 18429 9652 1 18 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.099 0.015 18429 9653 1 18 . 1 1 44 44 GLU H H 44 8.128 8.128 8.090 0.038 18429 9654 1 18 . 1 1 45 45 GLY N N 45 109.450 109.450 109.556 -0.106 18429 9655 1 18 . 1 1 45 45 GLY C C 45 173.685 173.685 173.366 0.319 18429 9656 1 18 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.212 1.162 18429 9657 1 18 . 1 1 45 45 GLY H H 45 8.156 8.156 7.495 0.661 18429 9658 1 18 . 1 1 46 46 ASP N N 46 120.995 120.995 120.403 0.592 18429 9659 1 18 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.649 0.039 18429 9660 1 18 . 1 1 46 46 ASP C C 46 176.375 176.375 175.672 0.703 18429 9661 1 18 . 1 1 46 46 ASP CA C 46 53.625 53.625 53.607 0.018 18429 9662 1 18 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.292 -0.085 18429 9663 1 18 . 1 1 46 46 ASP H H 46 8.467 8.467 8.208 0.259 18429 9664 1 18 . 1 1 47 47 ALA N N 47 124.626 124.626 129.097 -4.471 18429 9665 1 18 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.111 0.012 18429 9666 1 18 . 1 1 47 47 ALA C C 47 178.084 178.084 178.578 -0.494 18429 9667 1 18 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.622 -0.681 18429 9668 1 18 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.113 -0.129 18429 9669 1 18 . 1 1 47 47 ALA H H 47 8.483 8.483 8.519 -0.036 18429 9670 1 18 . 1 1 48 48 LYS N N 48 118.214 118.214 119.587 -1.373 18429 9671 1 18 . 1 1 48 48 LYS HA H 48 3.801 3.801 4.003 -0.202 18429 9672 1 18 . 1 1 48 48 LYS C C 48 177.582 177.582 178.299 -0.717 18429 9673 1 18 . 1 1 48 48 LYS CA C 48 60.112 60.112 58.977 1.135 18429 9674 1 18 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.116 0.044 18429 9675 1 18 . 1 1 48 48 LYS H H 48 8.349 8.349 8.025 0.324 18429 9676 1 18 . 1 1 49 49 ASN N N 49 116.387 116.387 117.912 -1.525 18429 9677 1 18 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.746 -0.238 18429 9678 1 18 . 1 1 49 49 ASN C C 49 177.753 177.753 177.542 0.211 18429 9679 1 18 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.867 0.114 18429 9680 1 18 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.547 -0.182 18429 9681 1 18 . 1 1 49 49 ASN H H 49 8.184 8.184 8.344 -0.160 18429 9682 1 18 . 1 1 50 50 MET N N 50 118.627 118.627 117.966 0.661 18429 9683 1 18 . 1 1 50 50 MET HA H 50 4.335 4.335 4.359 -0.024 18429 9684 1 18 . 1 1 50 50 MET C C 50 178.683 178.683 178.677 0.006 18429 9685 1 18 . 1 1 50 50 MET CA C 50 57.203 57.203 57.054 0.149 18429 9686 1 18 . 1 1 50 50 MET CB C 50 32.289 32.289 31.914 0.375 18429 9687 1 18 . 1 1 50 50 MET H H 50 8.189 8.189 7.506 0.683 18429 9688 1 18 . 1 1 51 51 ILE N N 51 120.778 120.778 120.951 -0.173 18429 9689 1 18 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.699 -0.006 18429 9690 1 18 . 1 1 51 51 ILE C C 51 177.667 177.667 177.855 -0.188 18429 9691 1 18 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.576 -0.213 18429 9692 1 18 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.463 -0.179 18429 9693 1 18 . 1 1 51 51 ILE H H 51 8.475 8.475 7.841 0.634 18429 9694 1 18 . 1 1 52 52 GLU N N 52 120.715 120.715 119.686 1.029 18429 9695 1 18 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.022 -0.183 18429 9696 1 18 . 1 1 52 52 GLU C C 52 178.201 178.201 179.236 -1.035 18429 9697 1 18 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.558 0.569 18429 9698 1 18 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.087 0.159 18429 9699 1 18 . 1 1 52 52 GLU H H 52 8.372 8.372 8.432 -0.060 18429 9700 1 18 . 1 1 53 53 LYS N N 53 118.426 118.426 118.791 -0.365 18429 9701 1 18 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.240 -0.110 18429 9702 1 18 . 1 1 53 53 LYS C C 53 179.163 179.163 178.889 0.274 18429 9703 1 18 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.536 1.551 18429 9704 1 18 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.052 0.098 18429 9705 1 18 . 1 1 53 53 LYS H H 53 7.766 7.766 7.615 0.151 18429 9706 1 18 . 1 1 54 54 PHE N N 54 120.522 120.522 122.064 -1.542 18429 9707 1 18 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.216 -0.114 18429 9708 1 18 . 1 1 54 54 PHE C C 54 176.920 176.920 176.996 -0.076 18429 9709 1 18 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.544 -0.007 18429 9710 1 18 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.164 0.248 18429 9711 1 18 . 1 1 54 54 PHE H H 54 7.990 7.990 8.261 -0.271 18429 9712 1 18 . 1 1 55 55 ARG N N 55 120.870 120.870 119.520 1.350 18429 9713 1 18 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.968 -0.142 18429 9714 1 18 . 1 1 55 55 ARG C C 55 178.383 178.383 178.187 0.196 18429 9715 1 18 . 1 1 55 55 ARG CA C 55 59.960 59.960 58.351 1.609 18429 9716 1 18 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.439 2.676 18429 9717 1 18 . 1 1 55 55 ARG H H 55 8.774 8.774 8.348 0.426 18429 9718 1 18 . 1 1 56 56 ASP N N 56 119.776 119.776 119.207 0.569 18429 9719 1 18 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.381 -0.054 18429 9720 1 18 . 1 1 56 56 ASP C C 56 179.398 179.398 178.184 1.214 18429 9721 1 18 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.659 -0.103 18429 9722 1 18 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.888 -1.071 18429 9723 1 18 . 1 1 56 56 ASP H H 56 8.491 8.491 8.057 0.434 18429 9724 1 18 . 1 1 57 57 GLU N N 57 120.418 120.418 119.688 0.730 18429 9725 1 18 . 1 1 57 57 GLU HA H 57 4.053 4.053 3.990 0.063 18429 9726 1 18 . 1 1 57 57 GLU C C 57 179.708 179.708 178.843 0.865 18429 9727 1 18 . 1 1 57 57 GLU CA C 57 58.894 58.894 59.122 -0.228 18429 9728 1 18 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.679 -0.303 18429 9729 1 18 . 1 1 57 57 GLU H H 57 7.894 7.894 7.751 0.143 18429 9730 1 18 . 1 1 58 58 MET N N 58 119.674 119.674 118.149 1.525 18429 9731 1 18 . 1 1 58 58 MET HA H 58 4.090 4.090 3.953 0.137 18429 9732 1 18 . 1 1 58 58 MET C C 58 178.137 178.137 178.753 -0.616 18429 9733 1 18 . 1 1 58 58 MET CA C 58 58.568 58.568 59.310 -0.742 18429 9734 1 18 . 1 1 58 58 MET CB C 58 31.846 31.846 32.462 -0.616 18429 9735 1 18 . 1 1 58 58 MET H H 58 8.352 8.352 7.920 0.432 18429 9736 1 18 . 1 1 59 59 GLU N N 59 119.770 119.770 118.988 0.782 18429 9737 1 18 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.979 -0.029 18429 9738 1 18 . 1 1 59 59 GLU C C 59 178.939 178.939 178.772 0.167 18429 9739 1 18 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.704 0.040 18429 9740 1 18 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.444 -0.267 18429 9741 1 18 . 1 1 59 59 GLU H H 59 8.717 8.717 7.802 0.915 18429 9742 1 18 . 1 1 60 60 GLN N N 60 117.895 117.895 119.679 -1.784 18429 9743 1 18 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.081 -0.110 18429 9744 1 18 . 1 1 60 60 GLN C C 60 178.052 178.052 178.765 -0.713 18429 9745 1 18 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.775 -0.521 18429 9746 1 18 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.599 -0.482 18429 9747 1 18 . 1 1 60 60 GLN H H 60 7.613 7.613 7.491 0.122 18429 9748 1 18 . 1 1 61 61 MET N N 61 118.464 118.464 116.471 1.993 18429 9749 1 18 . 1 1 61 61 MET HA H 61 4.080 4.080 4.356 -0.276 18429 9750 1 18 . 1 1 61 61 MET C C 61 178.545 178.545 178.138 0.407 18429 9751 1 18 . 1 1 61 61 MET CA C 61 58.972 58.972 57.534 1.438 18429 9752 1 18 . 1 1 61 61 MET CB C 61 32.309 32.309 31.731 0.578 18429 9753 1 18 . 1 1 61 61 MET H H 61 7.943 7.943 7.767 0.176 18429 9754 1 18 . 1 1 62 62 TYR N N 62 119.118 119.118 124.317 -5.199 18429 9755 1 18 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.326 -0.166 18429 9756 1 18 . 1 1 62 62 TYR C C 62 176.118 176.118 177.191 -1.073 18429 9757 1 18 . 1 1 62 62 TYR CA C 62 60.251 60.251 61.709 -1.458 18429 9758 1 18 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.223 0.166 18429 9759 1 18 . 1 1 62 62 TYR H H 62 8.313 8.313 8.071 0.242 18429 9760 1 18 . 1 1 63 63 LYS N N 63 117.899 117.899 117.655 0.244 18429 9761 1 18 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.840 -0.044 18429 9762 1 18 . 1 1 63 63 LYS C C 63 178.470 178.470 177.943 0.527 18429 9763 1 18 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.173 0.629 18429 9764 1 18 . 1 1 63 63 LYS CB C 63 32.018 32.018 31.808 0.210 18429 9765 1 18 . 1 1 63 63 LYS H H 63 7.806 7.806 7.869 -0.063 18429 9766 1 18 . 1 1 64 64 ASP N N 64 116.931 116.931 119.187 -2.256 18429 9767 1 18 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.496 -0.011 18429 9768 1 18 . 1 1 64 64 ASP C C 64 176.460 176.460 176.055 0.405 18429 9769 1 18 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.463 0.177 18429 9770 1 18 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.721 -0.525 18429 9771 1 18 . 1 1 64 64 ASP H H 64 7.771 7.771 7.643 0.128 18429 9772 1 18 . 1 1 65 65 ALA N N 65 121.417 121.417 121.759 -0.342 18429 9773 1 18 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.705 -0.113 18429 9774 1 18 . 1 1 65 65 ALA C C 65 180.460 180.460 174.634 5.826 18429 9775 1 18 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.348 0.875 18429 9776 1 18 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.475 -1.200 18429 9777 1 18 . 1 1 65 65 ALA H H 65 7.536 7.536 7.652 -0.116 18429 9778 1 18 . 1 1 66 66 PRO HA H 66 3.972 3.972 3.842 0.130 18429 9779 1 18 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.254 1.805 18429 9780 1 18 . 1 1 66 66 PRO CB C 66 31.377 31.377 31.317 0.061 18429 9781 1 18 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.921 -0.471 18429 9782 1 18 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.395 3.947 18429 9783 1 18 . 1 1 67 67 ASN CB C 67 40.583 40.583 42.001 -1.418 18429 9784 1 18 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.133 0.154 18429 9785 1 18 . 1 1 68 68 ALA C C 68 180.039 180.039 178.545 1.494 18429 9786 1 18 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.979 -0.021 18429 9787 1 18 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.792 0.045 18429 9788 1 18 . 1 1 69 69 VAL N N 69 119.699 119.699 118.976 0.723 18429 9789 1 18 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.707 0.102 18429 9790 1 18 . 1 1 69 69 VAL C C 69 178.578 178.578 178.242 0.336 18429 9791 1 18 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.920 -0.010 18429 9792 1 18 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.051 0.270 18429 9793 1 18 . 1 1 69 69 VAL H H 69 7.968 7.968 7.915 0.053 18429 9794 1 18 . 1 1 70 70 MET N N 70 119.158 119.158 118.970 0.188 18429 9795 1 18 . 1 1 70 70 MET HA H 70 4.411 4.411 3.989 0.422 18429 9796 1 18 . 1 1 70 70 MET C C 70 177.858 177.858 177.830 0.028 18429 9797 1 18 . 1 1 70 70 MET CA C 70 56.540 56.540 58.989 -2.449 18429 9798 1 18 . 1 1 70 70 MET CB C 70 31.927 31.927 32.274 -0.347 18429 9799 1 18 . 1 1 70 70 MET H H 70 8.195 8.195 8.292 -0.097 18429 9800 1 18 . 1 1 71 71 GLU N N 71 119.109 119.109 118.952 0.157 18429 9801 1 18 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.362 0.160 18429 9802 1 18 . 1 1 71 71 GLU C C 71 178.949 178.949 178.719 0.230 18429 9803 1 18 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.984 -0.183 18429 9804 1 18 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.102 0.585 18429 9805 1 18 . 1 1 71 71 GLU H H 71 8.122 8.122 8.126 -0.004 18429 9806 1 18 . 1 1 72 72 GLN N N 72 118.471 118.471 118.087 0.384 18429 9807 1 18 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.024 0.098 18429 9808 1 18 . 1 1 72 72 GLN C C 72 178.597 178.597 178.596 0.001 18429 9809 1 18 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.434 0.081 18429 9810 1 18 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.437 -0.326 18429 9811 1 18 . 1 1 72 72 GLN H H 72 7.662 7.662 7.622 0.040 18429 9812 1 18 . 1 1 73 73 LEU N N 73 120.880 120.880 119.607 1.273 18429 9813 1 18 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.155 -0.111 18429 9814 1 18 . 1 1 73 73 LEU C C 73 178.992 178.992 178.883 0.109 18429 9815 1 18 . 1 1 73 73 LEU CA C 73 58.047 58.047 56.485 1.562 18429 9816 1 18 . 1 1 73 73 LEU CB C 73 41.377 41.377 40.632 0.745 18429 9817 1 18 . 1 1 73 73 LEU H H 73 8.170 8.170 7.478 0.692 18429 9818 1 18 . 1 1 74 74 LEU N N 74 119.628 119.628 120.187 -0.559 18429 9819 1 18 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.845 0.107 18429 9820 1 18 . 1 1 74 74 LEU C C 74 179.088 179.088 178.769 0.319 18429 9821 1 18 . 1 1 74 74 LEU CA C 74 57.774 57.774 59.121 -1.347 18429 9822 1 18 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.282 -0.215 18429 9823 1 18 . 1 1 74 74 LEU H H 74 8.396 8.396 7.861 0.535 18429 9824 1 18 . 1 1 75 75 GLU N N 75 119.588 119.588 117.298 2.290 18429 9825 1 18 . 1 1 75 75 GLU HA H 75 4.045 4.045 4.004 0.041 18429 9826 1 18 . 1 1 75 75 GLU C C 75 179.772 179.772 178.911 0.861 18429 9827 1 18 . 1 1 75 75 GLU CA C 75 59.261 59.261 58.891 0.370 18429 9828 1 18 . 1 1 75 75 GLU CB C 75 28.867 28.867 28.617 0.250 18429 9829 1 18 . 1 1 75 75 GLU H H 75 7.622 7.622 7.691 -0.069 18429 9830 1 18 . 1 1 76 76 GLU N N 76 118.750 118.750 119.841 -1.091 18429 9831 1 18 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.066 0.023 18429 9832 1 18 . 1 1 76 76 GLU C C 76 180.103 180.103 179.103 1.000 18429 9833 1 18 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.974 0.135 18429 9834 1 18 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.382 -0.017 18429 9835 1 18 . 1 1 76 76 GLU H H 76 8.127 8.127 7.591 0.536 18429 9836 1 18 . 1 1 77 77 ILE N N 77 121.044 121.044 119.523 1.521 18429 9837 1 18 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.760 0.064 18429 9838 1 18 . 1 1 77 77 ILE C C 77 177.219 177.219 178.063 -0.844 18429 9839 1 18 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.024 -0.478 18429 9840 1 18 . 1 1 77 77 ILE CB C 77 37.147 37.147 38.024 -0.877 18429 9841 1 18 . 1 1 77 77 ILE H H 77 8.715 8.715 7.822 0.893 18429 9842 1 18 . 1 1 78 78 GLU N N 78 121.847 121.847 119.995 1.852 18429 9843 1 18 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.961 0.081 18429 9844 1 18 . 1 1 78 78 GLU C C 78 179.644 179.644 178.712 0.932 18429 9845 1 18 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.453 0.033 18429 9846 1 18 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.339 -0.353 18429 9847 1 18 . 1 1 78 78 GLU H H 78 8.161 8.161 7.997 0.164 18429 9848 1 18 . 1 1 79 79 LYS N N 79 118.842 118.842 119.049 -0.207 18429 9849 1 18 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.040 -0.078 18429 9850 1 18 . 1 1 79 79 LYS C C 79 179.729 179.729 178.870 0.859 18429 9851 1 18 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.343 0.398 18429 9852 1 18 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.169 0.261 18429 9853 1 18 . 1 1 79 79 LYS H H 79 7.756 7.756 7.548 0.208 18429 9854 1 18 . 1 1 80 80 LEU N N 80 120.440 120.440 119.394 1.046 18429 9855 1 18 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.108 -0.055 18429 9856 1 18 . 1 1 80 80 LEU C C 80 178.939 178.939 179.418 -0.479 18429 9857 1 18 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.378 0.577 18429 9858 1 18 . 1 1 80 80 LEU CB C 80 41.676 41.676 40.786 0.890 18429 9859 1 18 . 1 1 80 80 LEU H H 80 7.805 7.805 7.593 0.212 18429 9860 1 18 . 1 1 81 81 LEU N N 81 119.519 119.519 120.002 -0.483 18429 9861 1 18 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.898 0.057 18429 9862 1 18 . 1 1 81 81 LEU C C 81 179.366 179.366 178.840 0.526 18429 9863 1 18 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.284 -0.508 18429 9864 1 18 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.080 0.538 18429 9865 1 18 . 1 1 81 81 LEU H H 81 8.423 8.423 7.519 0.904 18429 9866 1 18 . 1 1 82 82 LYS N N 82 119.070 119.070 118.335 0.735 18429 9867 1 18 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.079 0.052 18429 9868 1 18 . 1 1 82 82 LYS C C 82 179.237 179.237 178.926 0.311 18429 9869 1 18 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.392 0.480 18429 9870 1 18 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.300 -0.088 18429 9871 1 18 . 1 1 82 82 LYS H H 82 7.804 7.804 7.461 0.343 18429 9872 1 18 . 1 1 83 83 LYS N N 83 119.647 119.647 116.889 2.758 18429 9873 1 18 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.158 0.083 18429 9874 1 18 . 1 1 83 83 LYS C C 83 178.234 178.234 177.113 1.121 18429 9875 1 18 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.928 -0.600 18429 9876 1 18 . 1 1 83 83 LYS CB C 83 32.189 32.189 33.118 -0.929 18429 9877 1 18 . 1 1 83 83 LYS H H 83 7.737 7.737 8.053 -0.316 18429 9878 1 18 . 1 1 84 84 ALA N N 84 122.121 122.121 122.882 -0.761 18429 9879 1 18 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.336 -0.266 18429 9880 1 18 . 1 1 84 84 ALA C C 84 179.003 179.003 176.545 2.458 18429 9881 1 18 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.394 1.528 18429 9882 1 18 . 1 1 84 84 ALA CB C 84 18.175 18.175 18.908 -0.733 18429 9883 1 18 . 1 1 84 84 ALA H H 84 8.259 8.259 7.593 0.666 18429 9884 1 18 . 1 1 85 85 GLY N N 85 105.518 105.518 110.700 -5.182 18429 9885 1 18 . 1 1 85 85 GLY C C 85 174.759 174.759 173.180 1.579 18429 9886 1 18 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.574 1.163 18429 9887 1 18 . 1 1 85 85 GLY H H 85 8.191 8.191 8.196 -0.005 18429 9888 1 18 . 1 1 86 86 SER N N 86 114.680 114.680 116.581 -1.901 18429 9889 1 18 . 1 1 86 86 SER HA H 86 4.512 4.512 4.702 -0.190 18429 9890 1 18 . 1 1 86 86 SER C C 86 174.452 174.452 175.456 -1.004 18429 9891 1 18 . 1 1 86 86 SER CA C 86 58.641 58.641 57.590 1.051 18429 9892 1 18 . 1 1 86 86 SER CB C 86 63.751 63.751 64.161 -0.410 18429 9893 1 18 . 1 1 86 86 SER H H 86 7.884 7.884 8.347 -0.463 18429 9894 1 18 . 1 1 87 87 LEU N N 87 122.300 122.300 121.735 0.565 18429 9895 1 18 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.487 -0.155 18429 9896 1 18 . 1 1 87 87 LEU C C 87 176.845 176.845 176.804 0.041 18429 9897 1 18 . 1 1 87 87 LEU CA C 87 54.992 54.992 54.566 0.426 18429 9898 1 18 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.710 0.214 18429 9899 1 18 . 1 1 87 87 LEU H H 87 7.806 7.806 8.226 -0.420 18429 9900 1 18 . 1 1 88 88 VAL N N 88 120.869 120.869 117.316 3.553 18429 9901 1 18 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.152 0.235 18429 9902 1 18 . 1 1 88 88 VAL C C 88 174.367 174.367 175.112 -0.745 18429 9903 1 18 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.267 -0.511 18429 9904 1 18 . 1 1 88 88 VAL CB C 88 32.378 32.378 31.126 1.252 18429 9905 1 18 . 1 1 88 88 VAL H H 88 7.849 7.849 7.570 0.279 18429 9906 1 18 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.545 -0.133 18429 9907 1 18 . 1 1 89 89 PRO C C 89 176.898 176.898 176.608 0.290 18429 9908 1 18 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.984 -0.055 18429 9909 1 18 . 1 1 89 89 PRO CB C 89 31.926 31.926 31.924 0.002 18429 9910 1 18 . 1 1 90 90 ARG N N 90 121.893 121.893 120.699 1.194 18429 9911 1 18 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.055 0.236 18429 9912 1 18 . 1 1 90 90 ARG C C 90 177.081 177.081 176.341 0.740 18429 9913 1 18 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.201 0.124 18429 9914 1 18 . 1 1 90 90 ARG CB C 90 30.554 30.554 29.327 1.227 18429 9915 1 18 . 1 1 90 90 ARG H H 90 8.528 8.528 8.606 -0.078 18429 9916 1 18 . 1 1 91 91 GLY N N 91 109.932 109.932 107.875 2.057 18429 9917 1 18 . 1 1 91 91 GLY C C 91 174.324 174.324 174.546 -0.222 18429 9918 1 18 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.529 0.764 18429 9919 1 18 . 1 1 91 91 GLY H H 91 8.551 8.551 8.336 0.215 18429 9920 1 18 . 1 1 92 92 SER N N 92 115.612 115.612 114.783 0.829 18429 9921 1 18 . 1 1 92 92 SER HA H 92 4.407 4.407 4.317 0.090 18429 9922 1 18 . 1 1 92 92 SER C C 92 174.463 174.463 174.760 -0.297 18429 9923 1 18 . 1 1 92 92 SER CA C 92 58.310 58.310 58.972 -0.662 18429 9924 1 18 . 1 1 92 92 SER CB C 92 63.616 63.616 63.381 0.235 18429 9925 1 18 . 1 1 92 92 SER H H 92 8.183 8.183 8.279 -0.096 18429 9926 1 18 . 1 1 93 93 TYR N N 93 122.140 122.140 121.665 0.475 18429 9927 1 18 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.400 0.106 18429 9928 1 18 . 1 1 93 93 TYR C C 93 175.659 175.659 174.836 0.823 18429 9929 1 18 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.432 0.673 18429 9930 1 18 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.483 -0.193 18429 9931 1 18 . 1 1 93 93 TYR H H 93 8.206 8.206 7.812 0.394 18429 9932 1 18 . 1 1 94 94 LEU N N 94 123.025 123.025 127.051 -4.026 18429 9933 1 18 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.196 0.003 18429 9934 1 18 . 1 1 94 94 LEU C C 94 177.037 177.037 176.997 0.040 18429 9935 1 18 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.470 0.475 18429 9936 1 18 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.817 0.349 18429 9937 1 18 . 1 1 94 94 LEU H H 94 8.007 8.007 8.487 -0.480 18429 9938 1 18 . 1 1 95 95 GLU N N 95 120.848 120.848 123.956 -3.108 18429 9939 1 18 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.088 0.028 18429 9940 1 18 . 1 1 95 95 GLU C C 95 176.268 176.268 176.544 -0.276 18429 9941 1 18 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.427 0.286 18429 9942 1 18 . 1 1 95 95 GLU CB C 95 30.046 30.046 29.924 0.122 18429 9943 1 18 . 1 1 95 95 GLU H H 95 8.141 8.141 8.577 -0.436 18429 9944 1 18 . 1 1 96 96 HIS N N 96 119.288 119.288 121.052 -1.764 18429 9945 1 18 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.309 0.261 18429 9946 1 18 . 1 1 96 96 HIS C C 96 174.100 174.100 175.759 -1.659 18429 9947 1 18 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.755 -0.916 18429 9948 1 18 . 1 1 96 96 HIS CB C 96 30.404 30.404 29.841 0.563 18429 9949 1 18 . 1 1 96 96 HIS H H 96 8.144 8.144 8.487 -0.343 18429 9950 1 18 . 1 1 97 97 HIS N N 97 125.622 125.622 115.961 9.661 18429 9951 1 18 . 1 1 97 97 HIS C C 97 179.480 179.480 175.045 4.435 18429 9952 1 18 . 1 1 97 97 HIS CA C 97 57.447 57.447 58.797 -1.350 18429 9953 1 18 . 1 1 97 97 HIS CB C 97 30.754 30.754 28.425 2.329 18429 9954 1 18 . 1 1 97 97 HIS H H 97 8.017 8.017 8.111 -0.094 18429 9955 1 19 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.556 -0.240 18429 9956 1 19 . 1 1 2 2 GLN C C 2 177.028 177.028 174.793 2.235 18429 9957 1 19 . 1 1 2 2 GLN CA C 2 56.800 56.800 55.711 1.089 18429 9958 1 19 . 1 1 2 2 GLN CB C 2 28.884 28.884 31.677 -2.792 18429 9959 1 19 . 1 1 3 3 GLU N N 3 123.654 123.654 118.982 4.672 18429 9960 1 19 . 1 1 3 3 GLU HA H 3 4.077 4.077 3.978 0.099 18429 9961 1 19 . 1 1 3 3 GLU C C 3 177.945 177.945 175.228 2.717 18429 9962 1 19 . 1 1 3 3 GLU CA C 3 59.110 59.110 57.259 1.851 18429 9963 1 19 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.374 -0.031 18429 9964 1 19 . 1 1 3 3 GLU H H 3 8.995 8.995 8.843 0.152 18429 9965 1 19 . 1 1 4 4 GLU N N 4 119.237 119.237 113.535 5.702 18429 9966 1 19 . 1 1 4 4 GLU HA H 4 4.069 4.069 3.910 0.159 18429 9967 1 19 . 1 1 4 4 GLU C C 4 178.815 178.815 176.920 1.895 18429 9968 1 19 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.489 1.663 18429 9969 1 19 . 1 1 4 4 GLU CB C 4 29.218 29.218 28.303 0.915 18429 9970 1 19 . 1 1 4 4 GLU H H 4 8.837 8.837 8.656 0.181 18429 9971 1 19 . 1 1 5 5 ARG N N 5 120.052 120.052 118.014 2.038 18429 9972 1 19 . 1 1 5 5 ARG HA H 5 3.951 3.951 3.936 0.015 18429 9973 1 19 . 1 1 5 5 ARG C C 5 177.324 177.324 177.909 -0.585 18429 9974 1 19 . 1 1 5 5 ARG CA C 5 59.241 59.241 59.234 0.007 18429 9975 1 19 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.221 -0.240 18429 9976 1 19 . 1 1 5 5 ARG H H 5 7.884 7.884 7.525 0.359 18429 9977 1 19 . 1 1 6 6 LYS N N 6 119.327 119.327 119.464 -0.137 18429 9978 1 19 . 1 1 6 6 LYS HA H 6 3.980 3.980 3.997 -0.017 18429 9979 1 19 . 1 1 6 6 LYS C C 6 178.939 178.939 178.781 0.158 18429 9980 1 19 . 1 1 6 6 LYS CA C 6 59.332 59.332 59.199 0.133 18429 9981 1 19 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.584 0.570 18429 9982 1 19 . 1 1 6 6 LYS H H 6 7.998 7.998 8.386 -0.388 18429 9983 1 19 . 1 1 7 7 LYS N N 7 117.908 117.908 119.032 -1.124 18429 9984 1 19 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.102 -0.006 18429 9985 1 19 . 1 1 7 7 LYS C C 7 179.332 179.332 179.125 0.207 18429 9986 1 19 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.635 0.132 18429 9987 1 19 . 1 1 7 7 LYS CB C 7 32.297 32.297 32.015 0.282 18429 9988 1 19 . 1 1 7 7 LYS H H 7 7.917 7.917 7.598 0.319 18429 9989 1 19 . 1 1 8 8 LEU N N 8 120.724 120.724 120.710 0.014 18429 9990 1 19 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.063 -0.014 18429 9991 1 19 . 1 1 8 8 LEU C C 8 178.490 178.490 179.074 -0.584 18429 9992 1 19 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.763 -0.074 18429 9993 1 19 . 1 1 8 8 LEU CB C 8 41.605 41.605 40.956 0.649 18429 9994 1 19 . 1 1 8 8 LEU H H 8 7.686 7.686 7.443 0.243 18429 9995 1 19 . 1 1 9 9 LEU N N 9 118.886 118.886 118.852 0.034 18429 9996 1 19 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.846 0.092 18429 9997 1 19 . 1 1 9 9 LEU C C 9 178.981 178.981 179.212 -0.231 18429 9998 1 19 . 1 1 9 9 LEU CA C 9 57.958 57.958 58.067 -0.109 18429 9999 1 19 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.123 -0.281 18429 10000 1 19 . 1 1 9 9 LEU H H 9 8.158 8.158 8.221 -0.063 18429 10001 1 19 . 1 1 10 10 GLU N N 10 119.000 119.000 119.757 -0.757 18429 10002 1 19 . 1 1 10 10 GLU HA H 10 4.052 4.052 3.976 0.076 18429 10003 1 19 . 1 1 10 10 GLU C C 10 179.601 179.601 178.643 0.958 18429 10004 1 19 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.326 -0.048 18429 10005 1 19 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.014 0.272 18429 10006 1 19 . 1 1 10 10 GLU H H 10 8.069 8.069 8.187 -0.118 18429 10007 1 19 . 1 1 11 11 LYS N N 11 119.446 119.446 119.690 -0.244 18429 10008 1 19 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.098 -0.015 18429 10009 1 19 . 1 1 11 11 LYS C C 11 178.971 178.971 178.877 0.094 18429 10010 1 19 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.312 0.460 18429 10011 1 19 . 1 1 11 11 LYS CB C 11 31.996 31.996 31.882 0.114 18429 10012 1 19 . 1 1 11 11 LYS H H 11 7.676 7.676 7.653 0.023 18429 10013 1 19 . 1 1 12 12 LEU N N 12 120.017 120.017 120.591 -0.574 18429 10014 1 19 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.862 0.022 18429 10015 1 19 . 1 1 12 12 LEU C C 12 177.977 177.977 178.297 -0.320 18429 10016 1 19 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.964 -1.239 18429 10017 1 19 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.800 -0.223 18429 10018 1 19 . 1 1 12 12 LEU H H 12 8.378 8.378 8.255 0.123 18429 10019 1 19 . 1 1 13 13 GLU N N 13 117.914 117.914 118.840 -0.926 18429 10020 1 19 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.862 -0.166 18429 10021 1 19 . 1 1 13 13 GLU C C 13 177.934 177.934 179.222 -1.288 18429 10022 1 19 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.634 0.482 18429 10023 1 19 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.441 -0.043 18429 10024 1 19 . 1 1 13 13 GLU H H 13 8.458 8.458 8.153 0.305 18429 10025 1 19 . 1 1 14 14 LYS N N 14 117.629 117.629 118.954 -1.325 18429 10026 1 19 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.058 0.077 18429 10027 1 19 . 1 1 14 14 LYS C C 14 179.227 179.227 179.190 0.037 18429 10028 1 19 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.132 -0.266 18429 10029 1 19 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.312 -0.185 18429 10030 1 19 . 1 1 14 14 LYS H H 14 7.365 7.365 7.598 -0.233 18429 10031 1 19 . 1 1 15 15 ILE N N 15 119.583 119.583 120.588 -1.005 18429 10032 1 19 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.670 0.107 18429 10033 1 19 . 1 1 15 15 ILE C C 15 178.009 178.009 178.104 -0.095 18429 10034 1 19 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.537 -0.648 18429 10035 1 19 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.843 0.357 18429 10036 1 19 . 1 1 15 15 ILE H H 15 7.726 7.726 7.652 0.074 18429 10037 1 19 . 1 1 16 16 LEU N N 16 118.601 118.601 119.096 -0.495 18429 10038 1 19 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.868 -0.015 18429 10039 1 19 . 1 1 16 16 LEU C C 16 179.729 179.729 179.040 0.689 18429 10040 1 19 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.307 -0.465 18429 10041 1 19 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.711 -0.074 18429 10042 1 19 . 1 1 16 16 LEU H H 16 8.372 8.372 8.335 0.037 18429 10043 1 19 . 1 1 17 17 ASP N N 17 120.008 120.008 119.601 0.407 18429 10044 1 19 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.352 -0.016 18429 10045 1 19 . 1 1 17 17 ASP C C 17 178.148 178.148 178.808 -0.660 18429 10046 1 19 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.362 -0.073 18429 10047 1 19 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.097 -0.829 18429 10048 1 19 . 1 1 17 17 ASP H H 17 8.192 8.192 7.953 0.239 18429 10049 1 19 . 1 1 18 18 GLU N N 18 119.362 119.362 119.091 0.271 18429 10050 1 19 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.139 0.012 18429 10051 1 19 . 1 1 18 18 GLU C C 18 179.653 179.653 179.268 0.385 18429 10052 1 19 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.786 0.469 18429 10053 1 19 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.930 -0.730 18429 10054 1 19 . 1 1 18 18 GLU H H 18 7.860 7.860 7.780 0.080 18429 10055 1 19 . 1 1 19 19 VAL N N 19 118.483 118.483 119.162 -0.679 18429 10056 1 19 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.850 -0.024 18429 10057 1 19 . 1 1 19 19 VAL C C 19 177.496 177.496 177.418 0.078 18429 10058 1 19 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.009 -1.112 18429 10059 1 19 . 1 1 19 19 VAL CB C 19 31.809 31.809 32.189 -0.380 18429 10060 1 19 . 1 1 19 19 VAL H H 19 8.416 8.416 8.378 0.038 18429 10061 1 19 . 1 1 20 20 THR N N 20 112.904 112.904 110.809 2.095 18429 10062 1 19 . 1 1 20 20 THR HA H 20 3.856 3.856 4.134 -0.278 18429 10063 1 19 . 1 1 20 20 THR C C 20 175.894 175.894 176.490 -0.596 18429 10064 1 19 . 1 1 20 20 THR CA C 20 65.696 65.696 64.766 0.929 18429 10065 1 19 . 1 1 20 20 THR CB C 20 68.587 68.587 69.007 -0.420 18429 10066 1 19 . 1 1 20 20 THR H H 20 7.985 7.985 7.805 0.180 18429 10067 1 19 . 1 1 21 21 ASP N N 21 120.510 120.510 123.098 -2.588 18429 10068 1 19 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.489 -0.046 18429 10069 1 19 . 1 1 21 21 ASP C C 21 177.358 177.358 177.741 -0.383 18429 10070 1 19 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.888 -0.520 18429 10071 1 19 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.968 -0.095 18429 10072 1 19 . 1 1 21 21 ASP H H 21 7.935 7.935 8.157 -0.222 18429 10073 1 19 . 1 1 22 22 GLY N N 22 106.730 106.730 106.917 -0.187 18429 10074 1 19 . 1 1 22 22 GLY C C 22 174.004 174.004 173.495 0.509 18429 10075 1 19 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.344 0.483 18429 10076 1 19 . 1 1 22 22 GLY H H 22 7.939 7.939 7.825 0.114 18429 10077 1 19 . 1 1 23 23 ALA N N 23 124.286 124.286 123.713 0.573 18429 10078 1 19 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.635 -0.127 18429 10079 1 19 . 1 1 23 23 ALA C C 23 174.921 174.921 175.776 -0.855 18429 10080 1 19 . 1 1 23 23 ALA CA C 23 50.351 50.351 49.909 0.442 18429 10081 1 19 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.679 -1.175 18429 10082 1 19 . 1 1 23 23 ALA H H 23 7.531 7.531 7.246 0.285 18429 10083 1 19 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.476 0.087 18429 10084 1 19 . 1 1 24 24 PRO C C 24 177.571 177.571 176.920 0.651 18429 10085 1 19 . 1 1 24 24 PRO CA C 24 62.490 62.490 63.005 -0.515 18429 10086 1 19 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.299 -0.201 18429 10087 1 19 . 1 1 25 25 ASP N N 25 122.828 122.828 123.791 -0.963 18429 10088 1 19 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.242 0.013 18429 10089 1 19 . 1 1 25 25 ASP C C 25 178.298 178.298 178.043 0.255 18429 10090 1 19 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.667 0.396 18429 10091 1 19 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.550 -0.033 18429 10092 1 19 . 1 1 25 25 ASP H H 25 8.779 8.779 8.756 0.023 18429 10093 1 19 . 1 1 26 26 GLU N N 26 117.055 117.055 118.833 -1.778 18429 10094 1 19 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.190 -0.055 18429 10095 1 19 . 1 1 26 26 GLU C C 26 177.454 177.454 177.525 -0.071 18429 10096 1 19 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.087 1.137 18429 10097 1 19 . 1 1 26 26 GLU CB C 26 28.554 28.554 28.502 0.052 18429 10098 1 19 . 1 1 26 26 GLU H H 26 9.324 9.324 8.808 0.516 18429 10099 1 19 . 1 1 27 27 ALA N N 27 120.789 120.789 121.933 -1.144 18429 10100 1 19 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.360 0.051 18429 10101 1 19 . 1 1 27 27 ALA C C 27 178.065 178.065 179.005 -0.940 18429 10102 1 19 . 1 1 27 27 ALA CA C 27 52.879 52.879 52.896 -0.017 18429 10103 1 19 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.456 1.440 18429 10104 1 19 . 1 1 27 27 ALA H H 27 7.474 7.474 7.662 -0.188 18429 10105 1 19 . 1 1 28 28 ARG N N 28 118.872 118.872 120.188 -1.316 18429 10106 1 19 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.954 -0.279 18429 10107 1 19 . 1 1 28 28 ARG C C 28 177.550 177.550 177.437 0.113 18429 10108 1 19 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.597 1.005 18429 10109 1 19 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.220 -0.676 18429 10110 1 19 . 1 1 28 28 ARG H H 28 7.803 7.803 7.936 -0.133 18429 10111 1 19 . 1 1 29 29 GLU N N 29 117.512 117.512 118.004 -0.492 18429 10112 1 19 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.087 -0.045 18429 10113 1 19 . 1 1 29 29 GLU C C 29 179.122 179.122 178.621 0.501 18429 10114 1 19 . 1 1 29 29 GLU CA C 29 59.607 59.607 58.988 0.619 18429 10115 1 19 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.714 0.527 18429 10116 1 19 . 1 1 29 29 GLU H H 29 8.490 8.490 8.306 0.184 18429 10117 1 19 . 1 1 30 30 ARG N N 30 119.240 119.240 119.730 -0.490 18429 10118 1 19 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.093 0.041 18429 10119 1 19 . 1 1 30 30 ARG C C 30 179.248 179.248 178.609 0.639 18429 10120 1 19 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.450 0.379 18429 10121 1 19 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.680 0.185 18429 10122 1 19 . 1 1 30 30 ARG H H 30 7.789 7.789 7.684 0.105 18429 10123 1 19 . 1 1 31 31 ILE N N 31 120.920 120.920 119.020 1.900 18429 10124 1 19 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.828 -0.090 18429 10125 1 19 . 1 1 31 31 ILE C C 31 177.089 177.089 178.208 -1.119 18429 10126 1 19 . 1 1 31 31 ILE CA C 31 63.818 63.818 64.822 -1.004 18429 10127 1 19 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.778 -0.693 18429 10128 1 19 . 1 1 31 31 ILE H H 31 8.256 8.256 7.550 0.706 18429 10129 1 19 . 1 1 32 32 GLU N N 32 120.281 120.281 120.783 -0.502 18429 10130 1 19 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.946 -0.010 18429 10131 1 19 . 1 1 32 32 GLU C C 32 179.429 179.429 179.268 0.161 18429 10132 1 19 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.963 -0.404 18429 10133 1 19 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.404 -0.001 18429 10134 1 19 . 1 1 32 32 GLU H H 32 8.697 8.697 8.246 0.451 18429 10135 1 19 . 1 1 33 33 LYS N N 33 119.737 119.737 119.323 0.414 18429 10136 1 19 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.081 -0.023 18429 10137 1 19 . 1 1 33 33 LYS C C 33 178.159 178.159 179.239 -1.080 18429 10138 1 19 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.260 0.151 18429 10139 1 19 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.506 -0.456 18429 10140 1 19 . 1 1 33 33 LYS H H 33 7.764 7.764 7.885 -0.121 18429 10141 1 19 . 1 1 34 34 LEU N N 34 120.133 120.133 121.112 -0.979 18429 10142 1 19 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.369 -0.137 18429 10143 1 19 . 1 1 34 34 LEU C C 34 178.629 178.629 178.682 -0.053 18429 10144 1 19 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.523 -0.016 18429 10145 1 19 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.881 -0.084 18429 10146 1 19 . 1 1 34 34 LEU H H 34 7.790 7.790 7.823 -0.033 18429 10147 1 19 . 1 1 35 35 ALA N N 35 119.492 119.492 120.991 -1.499 18429 10148 1 19 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.875 -0.107 18429 10149 1 19 . 1 1 35 35 ALA C C 35 179.297 179.297 179.387 -0.090 18429 10150 1 19 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.205 -0.182 18429 10151 1 19 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.019 0.172 18429 10152 1 19 . 1 1 35 35 ALA H H 35 8.634 8.634 8.391 0.243 18429 10153 1 19 . 1 1 36 36 LYS N N 36 118.470 118.470 118.968 -0.498 18429 10154 1 19 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.962 -0.031 18429 10155 1 19 . 1 1 36 36 LYS C C 36 178.223 178.223 178.578 -0.355 18429 10156 1 19 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.621 -0.426 18429 10157 1 19 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.309 -0.254 18429 10158 1 19 . 1 1 36 36 LYS H H 36 7.704 7.704 7.730 -0.026 18429 10159 1 19 . 1 1 37 37 ASP N N 37 120.075 120.075 119.437 0.638 18429 10160 1 19 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.599 -0.196 18429 10161 1 19 . 1 1 37 37 ASP C C 37 179.334 179.334 178.879 0.455 18429 10162 1 19 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.427 -0.246 18429 10163 1 19 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.694 -0.717 18429 10164 1 19 . 1 1 37 37 ASP H H 37 8.203 8.203 7.867 0.336 18429 10165 1 19 . 1 1 38 38 VAL N N 38 118.202 118.202 119.529 -1.327 18429 10166 1 19 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.659 -0.036 18429 10167 1 19 . 1 1 38 38 VAL C C 38 177.017 177.017 177.709 -0.692 18429 10168 1 19 . 1 1 38 38 VAL CA C 38 65.668 65.668 65.526 0.142 18429 10169 1 19 . 1 1 38 38 VAL CB C 38 31.237 31.237 30.885 0.352 18429 10170 1 19 . 1 1 38 38 VAL H H 38 8.215 8.215 8.041 0.174 18429 10171 1 19 . 1 1 39 39 LYS N N 39 119.236 119.236 120.099 -0.863 18429 10172 1 19 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.958 -0.148 18429 10173 1 19 . 1 1 39 39 LYS C C 39 178.575 178.575 179.070 -0.495 18429 10174 1 19 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.757 -0.044 18429 10175 1 19 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.920 0.171 18429 10176 1 19 . 1 1 39 39 LYS H H 39 7.780 7.780 7.850 -0.070 18429 10177 1 19 . 1 1 40 40 ASP N N 40 118.227 118.227 119.564 -1.337 18429 10178 1 19 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.410 0.042 18429 10179 1 19 . 1 1 40 40 ASP C C 40 178.137 178.137 178.298 -0.161 18429 10180 1 19 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.878 -1.455 18429 10181 1 19 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.627 -0.217 18429 10182 1 19 . 1 1 40 40 ASP H H 40 8.273 8.273 7.820 0.453 18429 10183 1 19 . 1 1 41 41 GLU N N 41 119.896 119.896 119.236 0.660 18429 10184 1 19 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.358 -0.127 18429 10185 1 19 . 1 1 41 41 GLU C C 41 177.849 177.849 178.802 -0.953 18429 10186 1 19 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.323 0.062 18429 10187 1 19 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.009 0.722 18429 10188 1 19 . 1 1 41 41 GLU H H 41 7.875 7.875 7.504 0.371 18429 10189 1 19 . 1 1 42 42 LEU N N 42 119.906 119.906 119.103 0.803 18429 10190 1 19 . 1 1 42 42 LEU HA H 42 4.124 4.124 3.973 0.151 18429 10191 1 19 . 1 1 42 42 LEU C C 42 178.276 178.276 178.685 -0.409 18429 10192 1 19 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.580 -0.867 18429 10193 1 19 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.595 0.553 18429 10194 1 19 . 1 1 42 42 LEU H H 42 7.952 7.952 7.937 0.015 18429 10195 1 19 . 1 1 43 43 GLU N N 43 117.735 117.735 117.579 0.156 18429 10196 1 19 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.198 -0.063 18429 10197 1 19 . 1 1 43 43 GLU C C 43 177.582 177.582 176.300 1.282 18429 10198 1 19 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.106 0.698 18429 10199 1 19 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.605 -1.034 18429 10200 1 19 . 1 1 43 43 GLU H H 43 8.020 8.020 7.882 0.138 18429 10201 1 19 . 1 1 44 44 GLU N N 44 116.308 116.308 115.751 0.557 18429 10202 1 19 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.453 -0.037 18429 10203 1 19 . 1 1 44 44 GLU C C 44 177.133 177.133 175.516 1.617 18429 10204 1 19 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.487 -0.039 18429 10205 1 19 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.864 -0.750 18429 10206 1 19 . 1 1 44 44 GLU H H 44 8.128 8.128 7.877 0.251 18429 10207 1 19 . 1 1 45 45 GLY N N 45 109.450 109.450 112.992 -3.542 18429 10208 1 19 . 1 1 45 45 GLY C C 45 173.685 173.685 173.578 0.107 18429 10209 1 19 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.920 0.454 18429 10210 1 19 . 1 1 45 45 GLY H H 45 8.156 8.156 8.807 -0.651 18429 10211 1 19 . 1 1 46 46 ASP N N 46 120.995 120.995 118.627 2.368 18429 10212 1 19 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.224 0.464 18429 10213 1 19 . 1 1 46 46 ASP C C 46 176.375 176.375 176.012 0.363 18429 10214 1 19 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.619 -0.994 18429 10215 1 19 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.132 0.075 18429 10216 1 19 . 1 1 46 46 ASP H H 46 8.467 8.467 8.117 0.350 18429 10217 1 19 . 1 1 47 47 ALA N N 47 124.626 124.626 127.853 -3.227 18429 10218 1 19 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.007 0.116 18429 10219 1 19 . 1 1 47 47 ALA C C 47 178.084 178.084 178.577 -0.493 18429 10220 1 19 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.191 -0.250 18429 10221 1 19 . 1 1 47 47 ALA CB C 47 18.984 18.984 19.148 -0.164 18429 10222 1 19 . 1 1 47 47 ALA H H 47 8.483 8.483 8.646 -0.163 18429 10223 1 19 . 1 1 48 48 LYS N N 48 118.214 118.214 119.054 -0.840 18429 10224 1 19 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.994 -0.193 18429 10225 1 19 . 1 1 48 48 LYS C C 48 177.582 177.582 177.753 -0.171 18429 10226 1 19 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.398 0.714 18429 10227 1 19 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.122 0.038 18429 10228 1 19 . 1 1 48 48 LYS H H 48 8.349 8.349 8.036 0.313 18429 10229 1 19 . 1 1 49 49 ASN N N 49 116.387 116.387 117.278 -0.891 18429 10230 1 19 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.769 -0.261 18429 10231 1 19 . 1 1 49 49 ASN C C 49 177.753 177.753 177.795 -0.042 18429 10232 1 19 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.686 0.295 18429 10233 1 19 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.478 -0.113 18429 10234 1 19 . 1 1 49 49 ASN H H 49 8.184 8.184 8.300 -0.116 18429 10235 1 19 . 1 1 50 50 MET N N 50 118.627 118.627 118.538 0.089 18429 10236 1 19 . 1 1 50 50 MET HA H 50 4.335 4.335 4.350 -0.015 18429 10237 1 19 . 1 1 50 50 MET C C 50 178.683 178.683 178.498 0.185 18429 10238 1 19 . 1 1 50 50 MET CA C 50 57.203 57.203 57.145 0.058 18429 10239 1 19 . 1 1 50 50 MET CB C 50 32.289 32.289 31.979 0.310 18429 10240 1 19 . 1 1 50 50 MET H H 50 8.189 8.189 7.471 0.718 18429 10241 1 19 . 1 1 51 51 ILE N N 51 120.778 120.778 121.316 -0.538 18429 10242 1 19 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.627 0.066 18429 10243 1 19 . 1 1 51 51 ILE C C 51 177.667 177.667 177.828 -0.161 18429 10244 1 19 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.840 -0.476 18429 10245 1 19 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.493 -0.209 18429 10246 1 19 . 1 1 51 51 ILE H H 51 8.475 8.475 8.162 0.313 18429 10247 1 19 . 1 1 52 52 GLU N N 52 120.715 120.715 118.933 1.782 18429 10248 1 19 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.001 -0.162 18429 10249 1 19 . 1 1 52 52 GLU C C 52 178.201 178.201 179.216 -1.015 18429 10250 1 19 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.473 0.654 18429 10251 1 19 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.008 0.238 18429 10252 1 19 . 1 1 52 52 GLU H H 52 8.372 8.372 8.156 0.216 18429 10253 1 19 . 1 1 53 53 LYS N N 53 118.426 118.426 118.883 -0.457 18429 10254 1 19 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.220 -0.090 18429 10255 1 19 . 1 1 53 53 LYS C C 53 179.163 179.163 178.530 0.633 18429 10256 1 19 . 1 1 53 53 LYS CA C 53 59.087 59.087 57.498 1.589 18429 10257 1 19 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.031 0.119 18429 10258 1 19 . 1 1 53 53 LYS H H 53 7.766 7.766 7.452 0.314 18429 10259 1 19 . 1 1 54 54 PHE N N 54 120.522 120.522 121.767 -1.245 18429 10260 1 19 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.210 -0.108 18429 10261 1 19 . 1 1 54 54 PHE C C 54 176.920 176.920 177.211 -0.291 18429 10262 1 19 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.172 0.364 18429 10263 1 19 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.383 0.029 18429 10264 1 19 . 1 1 54 54 PHE H H 54 7.990 7.990 8.487 -0.497 18429 10265 1 19 . 1 1 55 55 ARG N N 55 120.870 120.870 119.870 1.000 18429 10266 1 19 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.880 -0.054 18429 10267 1 19 . 1 1 55 55 ARG C C 55 178.383 178.383 178.058 0.325 18429 10268 1 19 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.453 0.507 18429 10269 1 19 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.479 2.636 18429 10270 1 19 . 1 1 55 55 ARG H H 55 8.774 8.774 8.406 0.368 18429 10271 1 19 . 1 1 56 56 ASP N N 56 119.776 119.776 119.072 0.704 18429 10272 1 19 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.396 -0.069 18429 10273 1 19 . 1 1 56 56 ASP C C 56 179.398 179.398 178.367 1.031 18429 10274 1 19 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.635 -0.078 18429 10275 1 19 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.865 -1.048 18429 10276 1 19 . 1 1 56 56 ASP H H 56 8.491 8.491 7.636 0.855 18429 10277 1 19 . 1 1 57 57 GLU N N 57 120.418 120.418 119.165 1.253 18429 10278 1 19 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.200 -0.147 18429 10279 1 19 . 1 1 57 57 GLU C C 57 179.708 179.708 179.125 0.583 18429 10280 1 19 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.808 0.086 18429 10281 1 19 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.293 0.083 18429 10282 1 19 . 1 1 57 57 GLU H H 57 7.894 7.894 7.931 -0.037 18429 10283 1 19 . 1 1 58 58 MET N N 58 119.674 119.674 118.247 1.427 18429 10284 1 19 . 1 1 58 58 MET HA H 58 4.090 4.090 3.955 0.135 18429 10285 1 19 . 1 1 58 58 MET C C 58 178.137 178.137 178.275 -0.138 18429 10286 1 19 . 1 1 58 58 MET CA C 58 58.568 58.568 59.258 -0.690 18429 10287 1 19 . 1 1 58 58 MET CB C 58 31.846 31.846 32.371 -0.525 18429 10288 1 19 . 1 1 58 58 MET H H 58 8.352 8.352 7.972 0.380 18429 10289 1 19 . 1 1 59 59 GLU N N 59 119.770 119.770 119.801 -0.031 18429 10290 1 19 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.977 -0.027 18429 10291 1 19 . 1 1 59 59 GLU C C 59 178.939 178.939 178.852 0.087 18429 10292 1 19 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.871 -0.127 18429 10293 1 19 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.401 -0.223 18429 10294 1 19 . 1 1 59 59 GLU H H 59 8.717 8.717 7.908 0.809 18429 10295 1 19 . 1 1 60 60 GLN N N 60 117.895 117.895 117.984 -0.089 18429 10296 1 19 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.001 -0.030 18429 10297 1 19 . 1 1 60 60 GLN C C 60 178.052 178.052 179.060 -1.008 18429 10298 1 19 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.650 -0.396 18429 10299 1 19 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.695 -0.577 18429 10300 1 19 . 1 1 60 60 GLN H H 60 7.613 7.613 7.801 -0.188 18429 10301 1 19 . 1 1 61 61 MET N N 61 118.464 118.464 117.274 1.190 18429 10302 1 19 . 1 1 61 61 MET HA H 61 4.080 4.080 4.225 -0.145 18429 10303 1 19 . 1 1 61 61 MET C C 61 178.545 178.545 178.441 0.104 18429 10304 1 19 . 1 1 61 61 MET CA C 61 58.972 58.972 58.690 0.282 18429 10305 1 19 . 1 1 61 61 MET CB C 61 32.309 32.309 33.102 -0.793 18429 10306 1 19 . 1 1 61 61 MET H H 61 7.943 7.943 7.481 0.462 18429 10307 1 19 . 1 1 62 62 TYR N N 62 119.118 119.118 121.881 -2.763 18429 10308 1 19 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.469 -0.309 18429 10309 1 19 . 1 1 62 62 TYR C C 62 176.118 176.118 177.152 -1.034 18429 10310 1 19 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.718 -0.467 18429 10311 1 19 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.380 0.009 18429 10312 1 19 . 1 1 62 62 TYR H H 62 8.313 8.313 8.208 0.105 18429 10313 1 19 . 1 1 63 63 LYS N N 63 117.899 117.899 118.816 -0.917 18429 10314 1 19 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.808 -0.012 18429 10315 1 19 . 1 1 63 63 LYS C C 63 178.470 178.470 177.401 1.069 18429 10316 1 19 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.568 0.234 18429 10317 1 19 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.385 -0.367 18429 10318 1 19 . 1 1 63 63 LYS H H 63 7.806 7.806 8.053 -0.246 18429 10319 1 19 . 1 1 64 64 ASP N N 64 116.931 116.931 117.439 -0.508 18429 10320 1 19 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.568 -0.083 18429 10321 1 19 . 1 1 64 64 ASP C C 64 176.460 176.460 176.093 0.367 18429 10322 1 19 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.169 0.471 18429 10323 1 19 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.492 -0.296 18429 10324 1 19 . 1 1 64 64 ASP H H 64 7.771 7.771 7.628 0.143 18429 10325 1 19 . 1 1 65 65 ALA N N 65 121.417 121.417 122.482 -1.065 18429 10326 1 19 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.715 -0.123 18429 10327 1 19 . 1 1 65 65 ALA C C 65 180.460 180.460 175.178 5.282 18429 10328 1 19 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.674 0.549 18429 10329 1 19 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.522 -1.247 18429 10330 1 19 . 1 1 65 65 ALA H H 65 7.536 7.536 7.672 -0.136 18429 10331 1 19 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.499 -0.527 18429 10332 1 19 . 1 1 66 66 PRO CA C 66 64.059 64.059 61.840 2.219 18429 10333 1 19 . 1 1 66 66 PRO CB C 66 31.377 31.377 29.224 2.153 18429 10334 1 19 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.578 -0.128 18429 10335 1 19 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.341 4.001 18429 10336 1 19 . 1 1 67 67 ASN CB C 67 40.583 40.583 36.761 3.821 18429 10337 1 19 . 1 1 68 68 ALA HA H 68 4.287 4.287 3.845 0.442 18429 10338 1 19 . 1 1 68 68 ALA C C 68 180.039 180.039 178.308 1.731 18429 10339 1 19 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.972 -0.014 18429 10340 1 19 . 1 1 68 68 ALA CB C 68 18.837 18.837 17.153 1.684 18429 10341 1 19 . 1 1 69 69 VAL N N 69 119.699 119.699 119.719 -0.020 18429 10342 1 19 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.713 0.096 18429 10343 1 19 . 1 1 69 69 VAL C C 69 178.578 178.578 177.804 0.774 18429 10344 1 19 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.923 -0.013 18429 10345 1 19 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.204 0.117 18429 10346 1 19 . 1 1 69 69 VAL H H 69 7.968 7.968 8.182 -0.214 18429 10347 1 19 . 1 1 70 70 MET N N 70 119.158 119.158 117.906 1.252 18429 10348 1 19 . 1 1 70 70 MET HA H 70 4.411 4.411 4.157 0.254 18429 10349 1 19 . 1 1 70 70 MET C C 70 177.858 177.858 177.904 -0.046 18429 10350 1 19 . 1 1 70 70 MET CA C 70 56.540 56.540 58.267 -1.727 18429 10351 1 19 . 1 1 70 70 MET CB C 70 31.927 31.927 32.178 -0.251 18429 10352 1 19 . 1 1 70 70 MET H H 70 8.195 8.195 7.636 0.559 18429 10353 1 19 . 1 1 71 71 GLU N N 71 119.109 119.109 118.935 0.174 18429 10354 1 19 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.682 -0.160 18429 10355 1 19 . 1 1 71 71 GLU C C 71 178.949 178.949 178.783 0.166 18429 10356 1 19 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.474 0.327 18429 10357 1 19 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.450 0.238 18429 10358 1 19 . 1 1 71 71 GLU H H 71 8.122 8.122 7.773 0.349 18429 10359 1 19 . 1 1 72 72 GLN N N 72 118.471 118.471 119.212 -0.741 18429 10360 1 19 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.044 0.078 18429 10361 1 19 . 1 1 72 72 GLN C C 72 178.597 178.597 179.066 -0.469 18429 10362 1 19 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.871 -0.356 18429 10363 1 19 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.813 -0.702 18429 10364 1 19 . 1 1 72 72 GLN H H 72 7.662 7.662 7.713 -0.051 18429 10365 1 19 . 1 1 73 73 LEU N N 73 120.880 120.880 118.942 1.938 18429 10366 1 19 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.126 -0.082 18429 10367 1 19 . 1 1 73 73 LEU C C 73 178.992 178.992 178.687 0.305 18429 10368 1 19 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.045 1.002 18429 10369 1 19 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.765 -0.388 18429 10370 1 19 . 1 1 73 73 LEU H H 73 8.170 8.170 8.090 0.080 18429 10371 1 19 . 1 1 74 74 LEU N N 74 119.628 119.628 121.530 -1.902 18429 10372 1 19 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.883 0.069 18429 10373 1 19 . 1 1 74 74 LEU C C 74 179.088 179.088 178.674 0.414 18429 10374 1 19 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.673 0.101 18429 10375 1 19 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.750 -0.683 18429 10376 1 19 . 1 1 74 74 LEU H H 74 8.396 8.396 7.453 0.943 18429 10377 1 19 . 1 1 75 75 GLU N N 75 119.588 119.588 119.016 0.572 18429 10378 1 19 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.909 0.136 18429 10379 1 19 . 1 1 75 75 GLU C C 75 179.772 179.772 178.767 1.005 18429 10380 1 19 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.625 -0.364 18429 10381 1 19 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.444 -0.577 18429 10382 1 19 . 1 1 75 75 GLU H H 75 7.622 7.622 7.876 -0.254 18429 10383 1 19 . 1 1 76 76 GLU N N 76 118.750 118.750 118.951 -0.201 18429 10384 1 19 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.044 0.045 18429 10385 1 19 . 1 1 76 76 GLU C C 76 180.103 180.103 179.287 0.816 18429 10386 1 19 . 1 1 76 76 GLU CA C 76 59.109 59.109 59.341 -0.232 18429 10387 1 19 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.356 0.009 18429 10388 1 19 . 1 1 76 76 GLU H H 76 8.127 8.127 7.626 0.501 18429 10389 1 19 . 1 1 77 77 ILE N N 77 121.044 121.044 119.448 1.596 18429 10390 1 19 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.750 0.074 18429 10391 1 19 . 1 1 77 77 ILE C C 77 177.219 177.219 178.107 -0.888 18429 10392 1 19 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.179 -0.633 18429 10393 1 19 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.722 -0.575 18429 10394 1 19 . 1 1 77 77 ILE H H 77 8.715 8.715 7.847 0.868 18429 10395 1 19 . 1 1 78 78 GLU N N 78 121.847 121.847 120.347 1.500 18429 10396 1 19 . 1 1 78 78 GLU HA H 78 4.042 4.042 4.012 0.030 18429 10397 1 19 . 1 1 78 78 GLU C C 78 179.644 179.644 178.894 0.750 18429 10398 1 19 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.617 -0.131 18429 10399 1 19 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.175 -0.189 18429 10400 1 19 . 1 1 78 78 GLU H H 78 8.161 8.161 7.655 0.506 18429 10401 1 19 . 1 1 79 79 LYS N N 79 118.842 118.842 119.078 -0.236 18429 10402 1 19 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.038 -0.076 18429 10403 1 19 . 1 1 79 79 LYS C C 79 179.729 179.729 179.540 0.189 18429 10404 1 19 . 1 1 79 79 LYS CA C 79 59.741 59.741 59.374 0.367 18429 10405 1 19 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.297 0.133 18429 10406 1 19 . 1 1 79 79 LYS H H 79 7.756 7.756 7.694 0.062 18429 10407 1 19 . 1 1 80 80 LEU N N 80 120.440 120.440 119.663 0.777 18429 10408 1 19 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.173 -0.120 18429 10409 1 19 . 1 1 80 80 LEU C C 80 178.939 178.939 178.743 0.196 18429 10410 1 19 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.326 0.629 18429 10411 1 19 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.664 0.012 18429 10412 1 19 . 1 1 80 80 LEU H H 80 7.805 7.805 7.578 0.227 18429 10413 1 19 . 1 1 81 81 LEU N N 81 119.519 119.519 121.026 -1.507 18429 10414 1 19 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.935 0.020 18429 10415 1 19 . 1 1 81 81 LEU C C 81 179.366 179.366 178.287 1.079 18429 10416 1 19 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.834 -0.058 18429 10417 1 19 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.838 -0.221 18429 10418 1 19 . 1 1 81 81 LEU H H 81 8.423 8.423 8.118 0.305 18429 10419 1 19 . 1 1 82 82 LYS N N 82 119.070 119.070 116.370 2.700 18429 10420 1 19 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.070 0.061 18429 10421 1 19 . 1 1 82 82 LYS C C 82 179.237 179.237 178.236 1.001 18429 10422 1 19 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.449 0.423 18429 10423 1 19 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.407 -0.195 18429 10424 1 19 . 1 1 82 82 LYS H H 82 7.804 7.804 7.903 -0.099 18429 10425 1 19 . 1 1 83 83 LYS N N 83 119.647 119.647 117.404 2.243 18429 10426 1 19 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.189 0.052 18429 10427 1 19 . 1 1 83 83 LYS C C 83 178.234 178.234 177.329 0.905 18429 10428 1 19 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.254 0.074 18429 10429 1 19 . 1 1 83 83 LYS CB C 83 32.189 32.189 33.154 -0.965 18429 10430 1 19 . 1 1 83 83 LYS H H 83 7.737 7.737 7.658 0.079 18429 10431 1 19 . 1 1 84 84 ALA N N 84 122.121 122.121 121.447 0.674 18429 10432 1 19 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.350 -0.280 18429 10433 1 19 . 1 1 84 84 ALA C C 84 179.003 179.003 177.611 1.392 18429 10434 1 19 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.435 1.487 18429 10435 1 19 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.761 -1.586 18429 10436 1 19 . 1 1 84 84 ALA H H 84 8.259 8.259 7.825 0.434 18429 10437 1 19 . 1 1 85 85 GLY N N 85 105.518 105.518 110.376 -4.858 18429 10438 1 19 . 1 1 85 85 GLY C C 85 174.759 174.759 174.197 0.562 18429 10439 1 19 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.850 -0.113 18429 10440 1 19 . 1 1 85 85 GLY H H 85 8.191 8.191 8.620 -0.429 18429 10441 1 19 . 1 1 86 86 SER N N 86 114.680 114.680 116.486 -1.806 18429 10442 1 19 . 1 1 86 86 SER HA H 86 4.512 4.512 4.604 -0.092 18429 10443 1 19 . 1 1 86 86 SER C C 86 174.452 174.452 174.380 0.072 18429 10444 1 19 . 1 1 86 86 SER CA C 86 58.641 58.641 57.340 1.301 18429 10445 1 19 . 1 1 86 86 SER CB C 86 63.751 63.751 64.573 -0.823 18429 10446 1 19 . 1 1 86 86 SER H H 86 7.884 7.884 8.218 -0.334 18429 10447 1 19 . 1 1 87 87 LEU N N 87 122.300 122.300 126.313 -4.013 18429 10448 1 19 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.442 -0.110 18429 10449 1 19 . 1 1 87 87 LEU C C 87 176.845 176.845 176.508 0.337 18429 10450 1 19 . 1 1 87 87 LEU CA C 87 54.992 54.992 54.949 0.043 18429 10451 1 19 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.048 1.876 18429 10452 1 19 . 1 1 87 87 LEU H H 87 7.806 7.806 8.710 -0.904 18429 10453 1 19 . 1 1 88 88 VAL N N 88 120.869 120.869 126.718 -5.849 18429 10454 1 19 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.580 -0.193 18429 10455 1 19 . 1 1 88 88 VAL C C 88 174.367 174.367 174.696 -0.329 18429 10456 1 19 . 1 1 88 88 VAL CA C 88 59.756 59.756 59.557 0.199 18429 10457 1 19 . 1 1 88 88 VAL CB C 88 32.378 32.378 34.749 -2.371 18429 10458 1 19 . 1 1 88 88 VAL H H 88 7.849 7.849 8.098 -0.249 18429 10459 1 19 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.594 -0.182 18429 10460 1 19 . 1 1 89 89 PRO C C 89 176.898 176.898 175.996 0.902 18429 10461 1 19 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.258 0.672 18429 10462 1 19 . 1 1 89 89 PRO CB C 89 31.926 31.926 30.376 1.550 18429 10463 1 19 . 1 1 90 90 ARG N N 90 121.893 121.893 121.369 0.524 18429 10464 1 19 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.223 0.068 18429 10465 1 19 . 1 1 90 90 ARG C C 90 177.081 177.081 176.060 1.021 18429 10466 1 19 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.705 -0.380 18429 10467 1 19 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.429 0.125 18429 10468 1 19 . 1 1 90 90 ARG H H 90 8.528 8.528 7.738 0.790 18429 10469 1 19 . 1 1 91 91 GLY N N 91 109.932 109.932 113.251 -3.319 18429 10470 1 19 . 1 1 91 91 GLY C C 91 174.324 174.324 172.760 1.564 18429 10471 1 19 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.171 1.122 18429 10472 1 19 . 1 1 91 91 GLY H H 91 8.551 8.551 8.433 0.118 18429 10473 1 19 . 1 1 92 92 SER N N 92 115.612 115.612 115.474 0.138 18429 10474 1 19 . 1 1 92 92 SER HA H 92 4.407 4.407 4.454 -0.047 18429 10475 1 19 . 1 1 92 92 SER C C 92 174.463 174.463 173.480 0.983 18429 10476 1 19 . 1 1 92 92 SER CA C 92 58.310 58.310 57.638 0.672 18429 10477 1 19 . 1 1 92 92 SER CB C 92 63.616 63.616 64.801 -1.185 18429 10478 1 19 . 1 1 92 92 SER H H 92 8.183 8.183 8.101 0.082 18429 10479 1 19 . 1 1 93 93 TYR N N 93 122.140 122.140 121.647 0.493 18429 10480 1 19 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.613 -0.107 18429 10481 1 19 . 1 1 93 93 TYR C C 93 175.659 175.659 175.170 0.489 18429 10482 1 19 . 1 1 93 93 TYR CA C 93 58.105 58.105 57.137 0.968 18429 10483 1 19 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.499 -0.208 18429 10484 1 19 . 1 1 93 93 TYR H H 93 8.206 8.206 8.641 -0.435 18429 10485 1 19 . 1 1 94 94 LEU N N 94 123.025 123.025 129.119 -6.094 18429 10486 1 19 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.378 -0.179 18429 10487 1 19 . 1 1 94 94 LEU C C 94 177.037 177.037 176.377 0.660 18429 10488 1 19 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.958 -0.013 18429 10489 1 19 . 1 1 94 94 LEU CB C 94 42.166 42.166 41.592 0.574 18429 10490 1 19 . 1 1 94 94 LEU H H 94 8.007 8.007 8.569 -0.562 18429 10491 1 19 . 1 1 95 95 GLU N N 95 120.848 120.848 124.299 -3.451 18429 10492 1 19 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.414 -0.298 18429 10493 1 19 . 1 1 95 95 GLU C C 95 176.268 176.268 174.988 1.280 18429 10494 1 19 . 1 1 95 95 GLU CA C 95 56.713 56.713 55.574 1.139 18429 10495 1 19 . 1 1 95 95 GLU CB C 95 30.046 30.046 31.737 -1.691 18429 10496 1 19 . 1 1 95 95 GLU H H 95 8.141 8.141 8.358 -0.217 18429 10497 1 19 . 1 1 96 96 HIS N N 96 119.288 119.288 117.763 1.525 18429 10498 1 19 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.961 -0.391 18429 10499 1 19 . 1 1 96 96 HIS C C 96 174.100 174.100 174.783 -0.683 18429 10500 1 19 . 1 1 96 96 HIS CA C 96 55.839 55.839 55.779 0.060 18429 10501 1 19 . 1 1 96 96 HIS CB C 96 30.404 30.404 29.577 0.827 18429 10502 1 19 . 1 1 96 96 HIS H H 96 8.144 8.144 8.167 -0.023 18429 10503 1 19 . 1 1 97 97 HIS N N 97 125.622 125.622 122.512 3.110 18429 10504 1 19 . 1 1 97 97 HIS C C 97 179.480 179.480 175.273 4.207 18429 10505 1 19 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.932 0.515 18429 10506 1 19 . 1 1 97 97 HIS CB C 97 30.754 30.754 30.260 0.494 18429 10507 1 19 . 1 1 97 97 HIS H H 97 8.017 8.017 8.832 -0.815 18429 10508 1 20 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.183 0.133 18429 10509 1 20 . 1 1 2 2 GLN C C 2 177.028 177.028 175.554 1.474 18429 10510 1 20 . 1 1 2 2 GLN CA C 2 56.800 56.800 57.745 -0.945 18429 10511 1 20 . 1 1 2 2 GLN CB C 2 28.884 28.884 28.362 0.522 18429 10512 1 20 . 1 1 3 3 GLU N N 3 123.654 123.654 124.948 -1.294 18429 10513 1 20 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.350 -0.273 18429 10514 1 20 . 1 1 3 3 GLU C C 3 177.945 177.945 176.206 1.739 18429 10515 1 20 . 1 1 3 3 GLU CA C 3 59.110 59.110 57.025 2.085 18429 10516 1 20 . 1 1 3 3 GLU CB C 3 29.343 29.343 30.352 -1.009 18429 10517 1 20 . 1 1 3 3 GLU H H 3 8.995 8.995 8.623 0.372 18429 10518 1 20 . 1 1 4 4 GLU N N 4 119.237 119.237 117.505 1.732 18429 10519 1 20 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.601 -0.532 18429 10520 1 20 . 1 1 4 4 GLU C C 4 178.815 178.815 177.972 0.843 18429 10521 1 20 . 1 1 4 4 GLU CA C 4 59.152 59.152 57.070 2.082 18429 10522 1 20 . 1 1 4 4 GLU CB C 4 29.218 29.218 30.081 -0.863 18429 10523 1 20 . 1 1 4 4 GLU H H 4 8.837 8.837 8.017 0.820 18429 10524 1 20 . 1 1 5 5 ARG N N 5 120.052 120.052 121.893 -1.841 18429 10525 1 20 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.188 -0.237 18429 10526 1 20 . 1 1 5 5 ARG C C 5 177.324 177.324 178.142 -0.818 18429 10527 1 20 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.834 0.407 18429 10528 1 20 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.552 -0.571 18429 10529 1 20 . 1 1 5 5 ARG H H 5 7.884 7.884 8.029 -0.145 18429 10530 1 20 . 1 1 6 6 LYS N N 6 119.327 119.327 119.318 0.009 18429 10531 1 20 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.076 -0.096 18429 10532 1 20 . 1 1 6 6 LYS C C 6 178.939 178.939 178.580 0.359 18429 10533 1 20 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.650 0.682 18429 10534 1 20 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.960 0.193 18429 10535 1 20 . 1 1 6 6 LYS H H 6 7.998 7.998 7.735 0.263 18429 10536 1 20 . 1 1 7 7 LYS N N 7 117.908 117.908 119.739 -1.831 18429 10537 1 20 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.088 0.008 18429 10538 1 20 . 1 1 7 7 LYS C C 7 179.332 179.332 178.913 0.419 18429 10539 1 20 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.722 0.045 18429 10540 1 20 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.916 0.381 18429 10541 1 20 . 1 1 7 7 LYS H H 7 7.917 7.917 7.957 -0.040 18429 10542 1 20 . 1 1 8 8 LEU N N 8 120.724 120.724 120.600 0.124 18429 10543 1 20 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.048 0.001 18429 10544 1 20 . 1 1 8 8 LEU C C 8 178.490 178.490 178.762 -0.272 18429 10545 1 20 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.895 -0.206 18429 10546 1 20 . 1 1 8 8 LEU CB C 8 41.605 41.605 42.039 -0.434 18429 10547 1 20 . 1 1 8 8 LEU H H 8 7.686 7.686 7.711 -0.025 18429 10548 1 20 . 1 1 9 9 LEU N N 9 118.886 118.886 117.290 1.596 18429 10549 1 20 . 1 1 9 9 LEU HA H 9 3.938 3.938 3.912 0.026 18429 10550 1 20 . 1 1 9 9 LEU C C 9 178.981 178.981 179.109 -0.128 18429 10551 1 20 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.514 0.444 18429 10552 1 20 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.056 -0.214 18429 10553 1 20 . 1 1 9 9 LEU H H 9 8.158 8.158 7.744 0.414 18429 10554 1 20 . 1 1 10 10 GLU N N 10 119.000 119.000 119.741 -0.741 18429 10555 1 20 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.005 0.047 18429 10556 1 20 . 1 1 10 10 GLU C C 10 179.601 179.601 178.874 0.727 18429 10557 1 20 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.438 -0.160 18429 10558 1 20 . 1 1 10 10 GLU CB C 10 29.286 29.286 28.958 0.328 18429 10559 1 20 . 1 1 10 10 GLU H H 10 8.069 8.069 8.239 -0.170 18429 10560 1 20 . 1 1 11 11 LYS N N 11 119.446 119.446 120.139 -0.693 18429 10561 1 20 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.079 0.004 18429 10562 1 20 . 1 1 11 11 LYS C C 11 178.971 178.971 179.142 -0.171 18429 10563 1 20 . 1 1 11 11 LYS CA C 11 58.772 58.772 59.135 -0.363 18429 10564 1 20 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.496 -0.500 18429 10565 1 20 . 1 1 11 11 LYS H H 11 7.676 7.676 7.704 -0.028 18429 10566 1 20 . 1 1 12 12 LEU N N 12 120.017 120.017 120.438 -0.421 18429 10567 1 20 . 1 1 12 12 LEU HA H 12 3.884 3.884 4.042 -0.158 18429 10568 1 20 . 1 1 12 12 LEU C C 12 177.977 177.977 178.560 -0.583 18429 10569 1 20 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.032 -0.307 18429 10570 1 20 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.240 0.337 18429 10571 1 20 . 1 1 12 12 LEU H H 12 8.378 8.378 8.097 0.281 18429 10572 1 20 . 1 1 13 13 GLU N N 13 117.914 117.914 118.920 -1.006 18429 10573 1 20 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.884 -0.188 18429 10574 1 20 . 1 1 13 13 GLU C C 13 177.934 177.934 179.231 -1.297 18429 10575 1 20 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.730 0.386 18429 10576 1 20 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.128 0.270 18429 10577 1 20 . 1 1 13 13 GLU H H 13 8.458 8.458 8.023 0.435 18429 10578 1 20 . 1 1 14 14 LYS N N 14 117.629 117.629 118.656 -1.027 18429 10579 1 20 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.106 0.029 18429 10580 1 20 . 1 1 14 14 LYS C C 14 179.227 179.227 179.225 0.002 18429 10581 1 20 . 1 1 14 14 LYS CA C 14 58.866 58.866 59.158 -0.292 18429 10582 1 20 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.330 -0.203 18429 10583 1 20 . 1 1 14 14 LYS H H 14 7.365 7.365 7.647 -0.282 18429 10584 1 20 . 1 1 15 15 ILE N N 15 119.583 119.583 120.817 -1.234 18429 10585 1 20 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.667 0.110 18429 10586 1 20 . 1 1 15 15 ILE C C 15 178.009 178.009 177.907 0.102 18429 10587 1 20 . 1 1 15 15 ILE CA C 15 64.889 64.889 65.036 -0.147 18429 10588 1 20 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.682 0.518 18429 10589 1 20 . 1 1 15 15 ILE H H 15 7.726 7.726 7.633 0.093 18429 10590 1 20 . 1 1 16 16 LEU N N 16 118.601 118.601 119.668 -1.067 18429 10591 1 20 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.878 -0.025 18429 10592 1 20 . 1 1 16 16 LEU C C 16 179.729 179.729 178.792 0.937 18429 10593 1 20 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.549 -0.707 18429 10594 1 20 . 1 1 16 16 LEU CB C 16 40.637 40.637 41.019 -0.382 18429 10595 1 20 . 1 1 16 16 LEU H H 16 8.372 8.372 7.597 0.775 18429 10596 1 20 . 1 1 17 17 ASP N N 17 120.008 120.008 118.916 1.092 18429 10597 1 20 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.420 -0.084 18429 10598 1 20 . 1 1 17 17 ASP C C 17 178.148 178.148 178.768 -0.620 18429 10599 1 20 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.196 0.093 18429 10600 1 20 . 1 1 17 17 ASP CB C 17 40.268 40.268 41.131 -0.863 18429 10601 1 20 . 1 1 17 17 ASP H H 17 8.192 8.192 8.150 0.042 18429 10602 1 20 . 1 1 18 18 GLU N N 18 119.362 119.362 119.341 0.021 18429 10603 1 20 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.181 -0.030 18429 10604 1 20 . 1 1 18 18 GLU C C 18 179.653 179.653 179.257 0.396 18429 10605 1 20 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.821 0.434 18429 10606 1 20 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.694 -0.494 18429 10607 1 20 . 1 1 18 18 GLU H H 18 7.860 7.860 8.006 -0.146 18429 10608 1 20 . 1 1 19 19 VAL N N 19 118.483 118.483 119.696 -1.213 18429 10609 1 20 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.993 -0.167 18429 10610 1 20 . 1 1 19 19 VAL C C 19 177.496 177.496 177.861 -0.365 18429 10611 1 20 . 1 1 19 19 VAL CA C 19 64.897 64.897 65.088 -0.191 18429 10612 1 20 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.733 0.076 18429 10613 1 20 . 1 1 19 19 VAL H H 19 8.416 8.416 8.021 0.395 18429 10614 1 20 . 1 1 20 20 THR N N 20 112.904 112.904 115.114 -2.210 18429 10615 1 20 . 1 1 20 20 THR HA H 20 3.856 3.856 4.136 -0.280 18429 10616 1 20 . 1 1 20 20 THR C C 20 175.894 175.894 176.595 -0.701 18429 10617 1 20 . 1 1 20 20 THR CA C 20 65.696 65.696 66.265 -0.569 18429 10618 1 20 . 1 1 20 20 THR CB C 20 68.587 68.587 68.439 0.148 18429 10619 1 20 . 1 1 20 20 THR H H 20 7.985 7.985 8.134 -0.149 18429 10620 1 20 . 1 1 21 21 ASP N N 21 120.510 120.510 121.359 -0.849 18429 10621 1 20 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.533 -0.090 18429 10622 1 20 . 1 1 21 21 ASP C C 21 177.358 177.358 177.906 -0.548 18429 10623 1 20 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.461 -0.093 18429 10624 1 20 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.886 -0.013 18429 10625 1 20 . 1 1 21 21 ASP H H 21 7.935 7.935 7.719 0.216 18429 10626 1 20 . 1 1 22 22 GLY N N 22 106.730 106.730 106.685 0.045 18429 10627 1 20 . 1 1 22 22 GLY C C 22 174.004 174.004 174.395 -0.391 18429 10628 1 20 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.921 -0.094 18429 10629 1 20 . 1 1 22 22 GLY H H 22 7.939 7.939 7.755 0.184 18429 10630 1 20 . 1 1 23 23 ALA N N 23 124.286 124.286 124.972 -0.686 18429 10631 1 20 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.349 0.159 18429 10632 1 20 . 1 1 23 23 ALA C C 23 174.921 174.921 176.013 -1.092 18429 10633 1 20 . 1 1 23 23 ALA CA C 23 50.351 50.351 51.065 -0.714 18429 10634 1 20 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.386 -0.882 18429 10635 1 20 . 1 1 23 23 ALA H H 23 7.531 7.531 7.375 0.156 18429 10636 1 20 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.253 0.310 18429 10637 1 20 . 1 1 24 24 PRO C C 24 177.571 177.571 176.424 1.147 18429 10638 1 20 . 1 1 24 24 PRO CA C 24 62.490 62.490 64.403 -1.913 18429 10639 1 20 . 1 1 24 24 PRO CB C 24 32.098 32.098 32.242 -0.144 18429 10640 1 20 . 1 1 25 25 ASP N N 25 122.828 122.828 116.017 6.811 18429 10641 1 20 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.732 -0.477 18429 10642 1 20 . 1 1 25 25 ASP C C 25 178.298 178.298 177.027 1.271 18429 10643 1 20 . 1 1 25 25 ASP CA C 25 58.063 58.063 53.941 4.122 18429 10644 1 20 . 1 1 25 25 ASP CB C 25 40.517 40.517 41.627 -1.110 18429 10645 1 20 . 1 1 25 25 ASP H H 25 8.779 8.779 7.990 0.789 18429 10646 1 20 . 1 1 26 26 GLU N N 26 117.055 117.055 120.755 -3.700 18429 10647 1 20 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.154 -0.019 18429 10648 1 20 . 1 1 26 26 GLU C C 26 177.454 177.454 177.714 -0.260 18429 10649 1 20 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.394 0.830 18429 10650 1 20 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.226 -0.672 18429 10651 1 20 . 1 1 26 26 GLU H H 26 9.324 9.324 8.837 0.487 18429 10652 1 20 . 1 1 27 27 ALA N N 27 120.789 120.789 123.111 -2.322 18429 10653 1 20 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.008 0.403 18429 10654 1 20 . 1 1 27 27 ALA C C 27 178.065 178.065 178.688 -0.623 18429 10655 1 20 . 1 1 27 27 ALA CA C 27 52.879 52.879 54.450 -1.571 18429 10656 1 20 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.257 1.639 18429 10657 1 20 . 1 1 27 27 ALA H H 27 7.474 7.474 8.456 -0.982 18429 10658 1 20 . 1 1 28 28 ARG N N 28 118.872 118.872 117.801 1.071 18429 10659 1 20 . 1 1 28 28 ARG HA H 28 3.675 3.675 4.050 -0.375 18429 10660 1 20 . 1 1 28 28 ARG C C 28 177.550 177.550 177.706 -0.156 18429 10661 1 20 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.514 1.088 18429 10662 1 20 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.335 -0.791 18429 10663 1 20 . 1 1 28 28 ARG H H 28 7.803 7.803 7.884 -0.081 18429 10664 1 20 . 1 1 29 29 GLU N N 29 117.512 117.512 119.414 -1.902 18429 10665 1 20 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.060 -0.018 18429 10666 1 20 . 1 1 29 29 GLU C C 29 179.122 179.122 178.908 0.214 18429 10667 1 20 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.480 0.127 18429 10668 1 20 . 1 1 29 29 GLU CB C 29 29.241 29.241 29.197 0.044 18429 10669 1 20 . 1 1 29 29 GLU H H 29 8.490 8.490 7.636 0.854 18429 10670 1 20 . 1 1 30 30 ARG N N 30 119.240 119.240 119.703 -0.463 18429 10671 1 20 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.129 0.005 18429 10672 1 20 . 1 1 30 30 ARG C C 30 179.248 179.248 178.998 0.250 18429 10673 1 20 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.617 0.212 18429 10674 1 20 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.789 0.076 18429 10675 1 20 . 1 1 30 30 ARG H H 30 7.789 7.789 7.525 0.264 18429 10676 1 20 . 1 1 31 31 ILE N N 31 120.920 120.920 119.320 1.600 18429 10677 1 20 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.922 -0.184 18429 10678 1 20 . 1 1 31 31 ILE C C 31 177.089 177.089 178.238 -1.149 18429 10679 1 20 . 1 1 31 31 ILE CA C 31 63.818 63.818 64.943 -1.125 18429 10680 1 20 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.552 -0.467 18429 10681 1 20 . 1 1 31 31 ILE H H 31 8.256 8.256 7.591 0.665 18429 10682 1 20 . 1 1 32 32 GLU N N 32 120.281 120.281 119.856 0.425 18429 10683 1 20 . 1 1 32 32 GLU HA H 32 3.936 3.936 4.002 -0.066 18429 10684 1 20 . 1 1 32 32 GLU C C 32 179.429 179.429 179.083 0.346 18429 10685 1 20 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.740 -0.181 18429 10686 1 20 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.045 0.358 18429 10687 1 20 . 1 1 32 32 GLU H H 32 8.697 8.697 8.474 0.223 18429 10688 1 20 . 1 1 33 33 LYS N N 33 119.737 119.737 119.900 -0.163 18429 10689 1 20 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.088 -0.030 18429 10690 1 20 . 1 1 33 33 LYS C C 33 178.159 178.159 179.175 -1.016 18429 10691 1 20 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.310 0.101 18429 10692 1 20 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.580 -0.530 18429 10693 1 20 . 1 1 33 33 LYS H H 33 7.764 7.764 7.517 0.247 18429 10694 1 20 . 1 1 34 34 LEU N N 34 120.133 120.133 119.426 0.707 18429 10695 1 20 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.201 0.031 18429 10696 1 20 . 1 1 34 34 LEU C C 34 178.629 178.629 177.987 0.642 18429 10697 1 20 . 1 1 34 34 LEU CA C 34 57.507 57.507 56.697 0.810 18429 10698 1 20 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.862 -0.065 18429 10699 1 20 . 1 1 34 34 LEU H H 34 7.790 7.790 7.737 0.053 18429 10700 1 20 . 1 1 35 35 ALA N N 35 119.492 119.492 122.856 -3.364 18429 10701 1 20 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.796 -0.028 18429 10702 1 20 . 1 1 35 35 ALA C C 35 179.297 179.297 178.995 0.302 18429 10703 1 20 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.639 -0.616 18429 10704 1 20 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.227 -0.036 18429 10705 1 20 . 1 1 35 35 ALA H H 35 8.634 8.634 8.544 0.090 18429 10706 1 20 . 1 1 36 36 LYS N N 36 118.470 118.470 118.523 -0.053 18429 10707 1 20 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.976 -0.045 18429 10708 1 20 . 1 1 36 36 LYS C C 36 178.223 178.223 178.363 -0.140 18429 10709 1 20 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.394 -0.199 18429 10710 1 20 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.382 -0.327 18429 10711 1 20 . 1 1 36 36 LYS H H 36 7.704 7.704 7.585 0.119 18429 10712 1 20 . 1 1 37 37 ASP N N 37 120.075 120.075 119.584 0.491 18429 10713 1 20 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.429 -0.026 18429 10714 1 20 . 1 1 37 37 ASP C C 37 179.334 179.334 178.400 0.934 18429 10715 1 20 . 1 1 37 37 ASP CA C 37 57.181 57.181 56.954 0.227 18429 10716 1 20 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.629 -0.652 18429 10717 1 20 . 1 1 37 37 ASP H H 37 8.203 8.203 7.612 0.591 18429 10718 1 20 . 1 1 38 38 VAL N N 38 118.202 118.202 119.261 -1.059 18429 10719 1 20 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.632 -0.009 18429 10720 1 20 . 1 1 38 38 VAL C C 38 177.017 177.017 177.866 -0.849 18429 10721 1 20 . 1 1 38 38 VAL CA C 38 65.668 65.668 65.836 -0.168 18429 10722 1 20 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.169 0.068 18429 10723 1 20 . 1 1 38 38 VAL H H 38 8.215 8.215 7.597 0.618 18429 10724 1 20 . 1 1 39 39 LYS N N 39 119.236 119.236 119.251 -0.015 18429 10725 1 20 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.934 -0.124 18429 10726 1 20 . 1 1 39 39 LYS C C 39 178.575 178.575 179.046 -0.471 18429 10727 1 20 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.178 0.535 18429 10728 1 20 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.392 0.699 18429 10729 1 20 . 1 1 39 39 LYS H H 39 7.780 7.780 7.886 -0.106 18429 10730 1 20 . 1 1 40 40 ASP N N 40 118.227 118.227 118.677 -0.450 18429 10731 1 20 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.540 -0.088 18429 10732 1 20 . 1 1 40 40 ASP C C 40 178.137 178.137 178.427 -0.290 18429 10733 1 20 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.285 -0.862 18429 10734 1 20 . 1 1 40 40 ASP CB C 40 40.410 40.410 41.008 -0.598 18429 10735 1 20 . 1 1 40 40 ASP H H 40 8.273 8.273 7.544 0.729 18429 10736 1 20 . 1 1 41 41 GLU N N 41 119.896 119.896 118.331 1.565 18429 10737 1 20 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.271 -0.040 18429 10738 1 20 . 1 1 41 41 GLU C C 41 177.849 177.849 178.494 -0.645 18429 10739 1 20 . 1 1 41 41 GLU CA C 41 57.385 57.385 57.915 -0.530 18429 10740 1 20 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.287 0.444 18429 10741 1 20 . 1 1 41 41 GLU H H 41 7.875 7.875 7.594 0.281 18429 10742 1 20 . 1 1 42 42 LEU N N 42 119.906 119.906 118.294 1.612 18429 10743 1 20 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.030 0.094 18429 10744 1 20 . 1 1 42 42 LEU C C 42 178.276 178.276 178.954 -0.678 18429 10745 1 20 . 1 1 42 42 LEU CA C 42 56.713 56.713 56.810 -0.097 18429 10746 1 20 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.879 0.269 18429 10747 1 20 . 1 1 42 42 LEU H H 42 7.952 7.952 7.510 0.442 18429 10748 1 20 . 1 1 43 43 GLU N N 43 117.735 117.735 117.549 0.186 18429 10749 1 20 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.196 -0.061 18429 10750 1 20 . 1 1 43 43 GLU C C 43 177.582 177.582 176.858 0.724 18429 10751 1 20 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.416 0.389 18429 10752 1 20 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.261 -0.690 18429 10753 1 20 . 1 1 43 43 GLU H H 43 8.020 8.020 7.831 0.189 18429 10754 1 20 . 1 1 44 44 GLU N N 44 116.308 116.308 115.340 0.968 18429 10755 1 20 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.449 -0.033 18429 10756 1 20 . 1 1 44 44 GLU C C 44 177.133 177.133 175.476 1.657 18429 10757 1 20 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.064 0.384 18429 10758 1 20 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.513 -0.399 18429 10759 1 20 . 1 1 44 44 GLU H H 44 8.128 8.128 7.715 0.413 18429 10760 1 20 . 1 1 45 45 GLY N N 45 109.450 109.450 113.145 -3.695 18429 10761 1 20 . 1 1 45 45 GLY C C 45 173.685 173.685 172.972 0.713 18429 10762 1 20 . 1 1 45 45 GLY CA C 45 45.374 45.374 45.181 0.193 18429 10763 1 20 . 1 1 45 45 GLY H H 45 8.156 8.156 8.421 -0.265 18429 10764 1 20 . 1 1 46 46 ASP N N 46 120.995 120.995 122.891 -1.896 18429 10765 1 20 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.853 -0.165 18429 10766 1 20 . 1 1 46 46 ASP C C 46 176.375 176.375 175.563 0.812 18429 10767 1 20 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.268 -0.643 18429 10768 1 20 . 1 1 46 46 ASP CB C 46 41.207 41.207 42.235 -1.028 18429 10769 1 20 . 1 1 46 46 ASP H H 46 8.467 8.467 8.270 0.197 18429 10770 1 20 . 1 1 47 47 ALA N N 47 124.626 124.626 128.107 -3.481 18429 10771 1 20 . 1 1 47 47 ALA HA H 47 4.123 4.123 3.974 0.149 18429 10772 1 20 . 1 1 47 47 ALA C C 47 178.084 178.084 178.527 -0.443 18429 10773 1 20 . 1 1 47 47 ALA CA C 47 53.941 53.941 54.788 -0.848 18429 10774 1 20 . 1 1 47 47 ALA CB C 47 18.984 18.984 18.830 0.154 18429 10775 1 20 . 1 1 47 47 ALA H H 47 8.483 8.483 8.588 -0.105 18429 10776 1 20 . 1 1 48 48 LYS N N 48 118.214 118.214 119.646 -1.432 18429 10777 1 20 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.908 -0.107 18429 10778 1 20 . 1 1 48 48 LYS C C 48 177.582 177.582 177.965 -0.383 18429 10779 1 20 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.315 0.797 18429 10780 1 20 . 1 1 48 48 LYS CB C 48 32.160 32.160 31.840 0.320 18429 10781 1 20 . 1 1 48 48 LYS H H 48 8.349 8.349 8.218 0.131 18429 10782 1 20 . 1 1 49 49 ASN N N 49 116.387 116.387 118.127 -1.740 18429 10783 1 20 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.503 0.005 18429 10784 1 20 . 1 1 49 49 ASN C C 49 177.753 177.753 177.825 -0.072 18429 10785 1 20 . 1 1 49 49 ASN CA C 49 55.981 55.981 56.220 -0.239 18429 10786 1 20 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.505 -0.140 18429 10787 1 20 . 1 1 49 49 ASN H H 49 8.184 8.184 8.316 -0.132 18429 10788 1 20 . 1 1 50 50 MET N N 50 118.627 118.627 117.913 0.714 18429 10789 1 20 . 1 1 50 50 MET HA H 50 4.335 4.335 4.374 -0.039 18429 10790 1 20 . 1 1 50 50 MET C C 50 178.683 178.683 178.559 0.124 18429 10791 1 20 . 1 1 50 50 MET CA C 50 57.203 57.203 56.838 0.365 18429 10792 1 20 . 1 1 50 50 MET CB C 50 32.289 32.289 31.681 0.608 18429 10793 1 20 . 1 1 50 50 MET H H 50 8.189 8.189 7.523 0.666 18429 10794 1 20 . 1 1 51 51 ILE N N 51 120.778 120.778 120.725 0.053 18429 10795 1 20 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.663 0.030 18429 10796 1 20 . 1 1 51 51 ILE C C 51 177.667 177.667 177.868 -0.201 18429 10797 1 20 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.669 -0.306 18429 10798 1 20 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.489 -0.205 18429 10799 1 20 . 1 1 51 51 ILE H H 51 8.475 8.475 8.057 0.418 18429 10800 1 20 . 1 1 52 52 GLU N N 52 120.715 120.715 119.189 1.526 18429 10801 1 20 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.011 -0.172 18429 10802 1 20 . 1 1 52 52 GLU C C 52 178.201 178.201 178.907 -0.706 18429 10803 1 20 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.361 0.766 18429 10804 1 20 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.262 -0.016 18429 10805 1 20 . 1 1 52 52 GLU H H 52 8.372 8.372 7.972 0.400 18429 10806 1 20 . 1 1 53 53 LYS N N 53 118.426 118.426 118.321 0.105 18429 10807 1 20 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.189 -0.059 18429 10808 1 20 . 1 1 53 53 LYS C C 53 179.163 179.163 178.348 0.815 18429 10809 1 20 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.472 0.615 18429 10810 1 20 . 1 1 53 53 LYS CB C 53 32.150 32.150 31.825 0.325 18429 10811 1 20 . 1 1 53 53 LYS H H 53 7.766 7.766 7.702 0.064 18429 10812 1 20 . 1 1 54 54 PHE N N 54 120.522 120.522 122.401 -1.879 18429 10813 1 20 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.245 -0.143 18429 10814 1 20 . 1 1 54 54 PHE C C 54 176.920 176.920 177.252 -0.332 18429 10815 1 20 . 1 1 54 54 PHE CA C 54 61.537 61.537 60.883 0.654 18429 10816 1 20 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.543 -0.131 18429 10817 1 20 . 1 1 54 54 PHE H H 54 7.990 7.990 8.161 -0.171 18429 10818 1 20 . 1 1 55 55 ARG N N 55 120.870 120.870 119.371 1.499 18429 10819 1 20 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.899 -0.073 18429 10820 1 20 . 1 1 55 55 ARG C C 55 178.383 178.383 178.219 0.164 18429 10821 1 20 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.037 0.923 18429 10822 1 20 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.481 2.634 18429 10823 1 20 . 1 1 55 55 ARG H H 55 8.774 8.774 7.834 0.940 18429 10824 1 20 . 1 1 56 56 ASP N N 56 119.776 119.776 119.775 0.001 18429 10825 1 20 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.402 -0.075 18429 10826 1 20 . 1 1 56 56 ASP C C 56 179.398 179.398 178.456 0.942 18429 10827 1 20 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.392 0.164 18429 10828 1 20 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.668 -0.851 18429 10829 1 20 . 1 1 56 56 ASP H H 56 8.491 8.491 7.677 0.814 18429 10830 1 20 . 1 1 57 57 GLU N N 57 120.418 120.418 119.278 1.140 18429 10831 1 20 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.035 0.018 18429 10832 1 20 . 1 1 57 57 GLU C C 57 179.708 179.708 178.749 0.959 18429 10833 1 20 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.880 0.014 18429 10834 1 20 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.295 0.081 18429 10835 1 20 . 1 1 57 57 GLU H H 57 7.894 7.894 7.644 0.250 18429 10836 1 20 . 1 1 58 58 MET N N 58 119.674 119.674 120.115 -0.441 18429 10837 1 20 . 1 1 58 58 MET HA H 58 4.090 4.090 3.891 0.199 18429 10838 1 20 . 1 1 58 58 MET C C 58 178.137 178.137 177.771 0.366 18429 10839 1 20 . 1 1 58 58 MET CA C 58 58.568 58.568 57.853 0.715 18429 10840 1 20 . 1 1 58 58 MET CB C 58 31.846 31.846 31.933 -0.087 18429 10841 1 20 . 1 1 58 58 MET H H 58 8.352 8.352 8.053 0.299 18429 10842 1 20 . 1 1 59 59 GLU N N 59 119.770 119.770 118.857 0.913 18429 10843 1 20 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.952 -0.002 18429 10844 1 20 . 1 1 59 59 GLU C C 59 178.939 178.939 178.752 0.187 18429 10845 1 20 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.658 0.086 18429 10846 1 20 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.391 -0.214 18429 10847 1 20 . 1 1 59 59 GLU H H 59 8.717 8.717 7.909 0.808 18429 10848 1 20 . 1 1 60 60 GLN N N 60 117.895 117.895 119.625 -1.730 18429 10849 1 20 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.069 -0.098 18429 10850 1 20 . 1 1 60 60 GLN C C 60 178.052 178.052 178.663 -0.611 18429 10851 1 20 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.839 -0.585 18429 10852 1 20 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.693 -0.575 18429 10853 1 20 . 1 1 60 60 GLN H H 60 7.613 7.613 7.480 0.133 18429 10854 1 20 . 1 1 61 61 MET N N 61 118.464 118.464 116.024 2.440 18429 10855 1 20 . 1 1 61 61 MET HA H 61 4.080 4.080 4.269 -0.189 18429 10856 1 20 . 1 1 61 61 MET C C 61 178.545 178.545 178.296 0.249 18429 10857 1 20 . 1 1 61 61 MET CA C 61 58.972 58.972 58.398 0.574 18429 10858 1 20 . 1 1 61 61 MET CB C 61 32.309 32.309 32.382 -0.073 18429 10859 1 20 . 1 1 61 61 MET H H 61 7.943 7.943 7.969 -0.026 18429 10860 1 20 . 1 1 62 62 TYR N N 62 119.118 119.118 123.268 -4.150 18429 10861 1 20 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.274 -0.114 18429 10862 1 20 . 1 1 62 62 TYR C C 62 176.118 176.118 177.122 -1.004 18429 10863 1 20 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.998 -0.748 18429 10864 1 20 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.531 -0.142 18429 10865 1 20 . 1 1 62 62 TYR H H 62 8.313 8.313 8.191 0.122 18429 10866 1 20 . 1 1 63 63 LYS N N 63 117.899 117.899 116.939 0.960 18429 10867 1 20 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.860 -0.064 18429 10868 1 20 . 1 1 63 63 LYS C C 63 178.470 178.470 178.202 0.268 18429 10869 1 20 . 1 1 63 63 LYS CA C 63 58.802 58.802 57.075 1.727 18429 10870 1 20 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.066 -0.048 18429 10871 1 20 . 1 1 63 63 LYS H H 63 7.806 7.806 7.849 -0.043 18429 10872 1 20 . 1 1 64 64 ASP N N 64 116.931 116.931 119.725 -2.794 18429 10873 1 20 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.451 0.034 18429 10874 1 20 . 1 1 64 64 ASP C C 64 176.460 176.460 176.057 0.403 18429 10875 1 20 . 1 1 64 64 ASP CA C 64 55.640 55.640 56.132 -0.492 18429 10876 1 20 . 1 1 64 64 ASP CB C 64 41.196 41.196 42.197 -1.001 18429 10877 1 20 . 1 1 64 64 ASP H H 64 7.771 7.771 7.663 0.108 18429 10878 1 20 . 1 1 65 65 ALA N N 65 121.417 121.417 120.353 1.064 18429 10879 1 20 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.690 -0.098 18429 10880 1 20 . 1 1 65 65 ALA C C 65 180.460 180.460 174.623 5.837 18429 10881 1 20 . 1 1 65 65 ALA CA C 65 50.223 50.223 50.030 0.193 18429 10882 1 20 . 1 1 65 65 ALA CB C 65 18.275 18.275 20.507 -2.232 18429 10883 1 20 . 1 1 65 65 ALA H H 65 7.536 7.536 7.664 -0.128 18429 10884 1 20 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.808 -0.836 18429 10885 1 20 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.105 1.954 18429 10886 1 20 . 1 1 66 66 PRO CB C 66 31.377 31.377 32.283 -0.906 18429 10887 1 20 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.580 -0.130 18429 10888 1 20 . 1 1 67 67 ASN CA C 67 56.342 56.342 53.649 2.693 18429 10889 1 20 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.429 2.154 18429 10890 1 20 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.517 -0.230 18429 10891 1 20 . 1 1 68 68 ALA C C 68 180.039 180.039 178.339 1.700 18429 10892 1 20 . 1 1 68 68 ALA CA C 68 54.958 54.958 52.300 2.658 18429 10893 1 20 . 1 1 68 68 ALA CB C 68 18.837 18.837 19.169 -0.332 18429 10894 1 20 . 1 1 69 69 VAL N N 69 119.699 119.699 120.484 -0.785 18429 10895 1 20 . 1 1 69 69 VAL HA H 69 3.809 3.809 4.035 -0.226 18429 10896 1 20 . 1 1 69 69 VAL C C 69 178.578 178.578 177.392 1.186 18429 10897 1 20 . 1 1 69 69 VAL CA C 69 65.910 65.910 64.301 1.609 18429 10898 1 20 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.153 0.168 18429 10899 1 20 . 1 1 69 69 VAL H H 69 7.968 7.968 8.199 -0.231 18429 10900 1 20 . 1 1 70 70 MET N N 70 119.158 119.158 120.387 -1.229 18429 10901 1 20 . 1 1 70 70 MET HA H 70 4.411 4.411 4.034 0.377 18429 10902 1 20 . 1 1 70 70 MET C C 70 177.858 177.858 177.660 0.198 18429 10903 1 20 . 1 1 70 70 MET CA C 70 56.540 56.540 59.491 -2.951 18429 10904 1 20 . 1 1 70 70 MET CB C 70 31.927 31.927 32.269 -0.342 18429 10905 1 20 . 1 1 70 70 MET H H 70 8.195 8.195 8.130 0.065 18429 10906 1 20 . 1 1 71 71 GLU N N 71 119.109 119.109 119.180 -0.071 18429 10907 1 20 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.586 -0.064 18429 10908 1 20 . 1 1 71 71 GLU C C 71 178.949 178.949 178.781 0.168 18429 10909 1 20 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.490 0.311 18429 10910 1 20 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.344 0.343 18429 10911 1 20 . 1 1 71 71 GLU H H 71 8.122 8.122 7.875 0.247 18429 10912 1 20 . 1 1 72 72 GLN N N 72 118.471 118.471 118.369 0.102 18429 10913 1 20 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.088 0.034 18429 10914 1 20 . 1 1 72 72 GLN C C 72 178.597 178.597 178.934 -0.337 18429 10915 1 20 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.492 0.022 18429 10916 1 20 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.884 -0.773 18429 10917 1 20 . 1 1 72 72 GLN H H 72 7.662 7.662 7.791 -0.129 18429 10918 1 20 . 1 1 73 73 LEU N N 73 120.880 120.880 120.455 0.425 18429 10919 1 20 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.072 -0.028 18429 10920 1 20 . 1 1 73 73 LEU C C 73 178.992 178.992 178.754 0.238 18429 10921 1 20 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.537 0.510 18429 10922 1 20 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.780 -0.403 18429 10923 1 20 . 1 1 73 73 LEU H H 73 8.170 8.170 8.189 -0.019 18429 10924 1 20 . 1 1 74 74 LEU N N 74 119.628 119.628 120.255 -0.627 18429 10925 1 20 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.857 0.095 18429 10926 1 20 . 1 1 74 74 LEU C C 74 179.088 179.088 178.429 0.659 18429 10927 1 20 . 1 1 74 74 LEU CA C 74 57.774 57.774 57.954 -0.180 18429 10928 1 20 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.708 -0.641 18429 10929 1 20 . 1 1 74 74 LEU H H 74 8.396 8.396 7.835 0.561 18429 10930 1 20 . 1 1 75 75 GLU N N 75 119.588 119.588 118.537 1.051 18429 10931 1 20 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.883 0.162 18429 10932 1 20 . 1 1 75 75 GLU C C 75 179.772 179.772 178.760 1.012 18429 10933 1 20 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.538 -0.277 18429 10934 1 20 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.518 -0.651 18429 10935 1 20 . 1 1 75 75 GLU H H 75 7.622 7.622 7.998 -0.376 18429 10936 1 20 . 1 1 76 76 GLU N N 76 118.750 118.750 119.594 -0.844 18429 10937 1 20 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.109 -0.020 18429 10938 1 20 . 1 1 76 76 GLU C C 76 180.103 180.103 178.861 1.242 18429 10939 1 20 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.745 0.364 18429 10940 1 20 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.165 0.200 18429 10941 1 20 . 1 1 76 76 GLU H H 76 8.127 8.127 7.747 0.380 18429 10942 1 20 . 1 1 77 77 ILE N N 77 121.044 121.044 119.498 1.546 18429 10943 1 20 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.676 0.148 18429 10944 1 20 . 1 1 77 77 ILE C C 77 177.219 177.219 177.794 -0.575 18429 10945 1 20 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.829 -1.283 18429 10946 1 20 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.682 -0.535 18429 10947 1 20 . 1 1 77 77 ILE H H 77 8.715 8.715 7.550 1.165 18429 10948 1 20 . 1 1 78 78 GLU N N 78 121.847 121.847 119.709 2.138 18429 10949 1 20 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.849 0.193 18429 10950 1 20 . 1 1 78 78 GLU C C 78 179.644 179.644 178.675 0.969 18429 10951 1 20 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.837 -0.351 18429 10952 1 20 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.243 -0.257 18429 10953 1 20 . 1 1 78 78 GLU H H 78 8.161 8.161 8.285 -0.124 18429 10954 1 20 . 1 1 79 79 LYS N N 79 118.842 118.842 118.897 -0.055 18429 10955 1 20 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.102 -0.140 18429 10956 1 20 . 1 1 79 79 LYS C C 79 179.729 179.729 179.463 0.266 18429 10957 1 20 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.547 1.194 18429 10958 1 20 . 1 1 79 79 LYS CB C 79 32.430 32.430 31.900 0.530 18429 10959 1 20 . 1 1 79 79 LYS H H 79 7.756 7.756 7.443 0.313 18429 10960 1 20 . 1 1 80 80 LEU N N 80 120.440 120.440 119.587 0.853 18429 10961 1 20 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.242 -0.189 18429 10962 1 20 . 1 1 80 80 LEU C C 80 178.939 178.939 179.405 -0.466 18429 10963 1 20 . 1 1 80 80 LEU CA C 80 57.955 57.955 56.900 1.055 18429 10964 1 20 . 1 1 80 80 LEU CB C 80 41.676 41.676 40.925 0.751 18429 10965 1 20 . 1 1 80 80 LEU H H 80 7.805 7.805 7.828 -0.023 18429 10966 1 20 . 1 1 81 81 LEU N N 81 119.519 119.519 121.720 -2.201 18429 10967 1 20 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.998 -0.043 18429 10968 1 20 . 1 1 81 81 LEU C C 81 179.366 179.366 178.527 0.839 18429 10969 1 20 . 1 1 81 81 LEU CA C 81 57.776 57.776 58.333 -0.557 18429 10970 1 20 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.743 -0.126 18429 10971 1 20 . 1 1 81 81 LEU H H 81 8.423 8.423 8.234 0.189 18429 10972 1 20 . 1 1 82 82 LYS N N 82 119.070 119.070 117.650 1.420 18429 10973 1 20 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.001 0.130 18429 10974 1 20 . 1 1 82 82 LYS C C 82 179.237 179.237 178.125 1.112 18429 10975 1 20 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.765 0.107 18429 10976 1 20 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.492 -0.280 18429 10977 1 20 . 1 1 82 82 LYS H H 82 7.804 7.804 7.888 -0.084 18429 10978 1 20 . 1 1 83 83 LYS N N 83 119.647 119.647 117.489 2.158 18429 10979 1 20 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.118 0.123 18429 10980 1 20 . 1 1 83 83 LYS C C 83 178.234 178.234 178.413 -0.179 18429 10981 1 20 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.911 -0.583 18429 10982 1 20 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.252 -0.063 18429 10983 1 20 . 1 1 83 83 LYS H H 83 7.737 7.737 7.813 -0.076 18429 10984 1 20 . 1 1 84 84 ALA N N 84 122.121 122.121 119.614 2.507 18429 10985 1 20 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.227 -0.157 18429 10986 1 20 . 1 1 84 84 ALA C C 84 179.003 179.003 177.596 1.407 18429 10987 1 20 . 1 1 84 84 ALA CA C 84 53.922 53.922 53.888 0.034 18429 10988 1 20 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.608 -1.433 18429 10989 1 20 . 1 1 84 84 ALA H H 84 8.259 8.259 7.769 0.490 18429 10990 1 20 . 1 1 85 85 GLY N N 85 105.518 105.518 104.706 0.812 18429 10991 1 20 . 1 1 85 85 GLY C C 85 174.759 174.759 172.628 2.131 18429 10992 1 20 . 1 1 85 85 GLY CA C 85 45.737 45.737 45.045 0.692 18429 10993 1 20 . 1 1 85 85 GLY H H 85 8.191 8.191 7.755 0.436 18429 10994 1 20 . 1 1 86 86 SER N N 86 114.680 114.680 114.306 0.374 18429 10995 1 20 . 1 1 86 86 SER HA H 86 4.512 4.512 4.082 0.430 18429 10996 1 20 . 1 1 86 86 SER C C 86 174.452 174.452 174.246 0.206 18429 10997 1 20 . 1 1 86 86 SER CA C 86 58.641 58.641 59.546 -0.905 18429 10998 1 20 . 1 1 86 86 SER CB C 86 63.751 63.751 63.543 0.208 18429 10999 1 20 . 1 1 86 86 SER H H 86 7.884 7.884 8.262 -0.378 18429 11000 1 20 . 1 1 87 87 LEU N N 87 122.300 122.300 116.654 5.646 18429 11001 1 20 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.136 0.196 18429 11002 1 20 . 1 1 87 87 LEU C C 87 176.845 176.845 176.348 0.497 18429 11003 1 20 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.499 -0.507 18429 11004 1 20 . 1 1 87 87 LEU CB C 87 41.924 41.924 40.522 1.402 18429 11005 1 20 . 1 1 87 87 LEU H H 87 7.806 7.806 7.968 -0.162 18429 11006 1 20 . 1 1 88 88 VAL N N 88 120.869 120.869 115.877 4.992 18429 11007 1 20 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.364 0.023 18429 11008 1 20 . 1 1 88 88 VAL C C 88 174.367 174.367 175.376 -1.009 18429 11009 1 20 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.589 -0.833 18429 11010 1 20 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.315 0.063 18429 11011 1 20 . 1 1 88 88 VAL H H 88 7.849 7.849 7.579 0.270 18429 11012 1 20 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.489 -0.077 18429 11013 1 20 . 1 1 89 89 PRO C C 89 176.898 176.898 175.920 0.978 18429 11014 1 20 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.636 0.293 18429 11015 1 20 . 1 1 89 89 PRO CB C 89 31.926 31.926 29.971 1.955 18429 11016 1 20 . 1 1 90 90 ARG N N 90 121.893 121.893 122.746 -0.853 18429 11017 1 20 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.426 -0.135 18429 11018 1 20 . 1 1 90 90 ARG C C 90 177.081 177.081 177.062 0.019 18429 11019 1 20 . 1 1 90 90 ARG CA C 90 56.325 56.325 55.759 0.566 18429 11020 1 20 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.669 -0.115 18429 11021 1 20 . 1 1 90 90 ARG H H 90 8.528 8.528 7.939 0.589 18429 11022 1 20 . 1 1 91 91 GLY N N 91 109.932 109.932 114.097 -4.165 18429 11023 1 20 . 1 1 91 91 GLY C C 91 174.324 174.324 174.555 -0.231 18429 11024 1 20 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.990 0.303 18429 11025 1 20 . 1 1 91 91 GLY H H 91 8.551 8.551 8.933 -0.382 18429 11026 1 20 . 1 1 92 92 SER N N 92 115.612 115.612 118.153 -2.541 18429 11027 1 20 . 1 1 92 92 SER HA H 92 4.407 4.407 4.437 -0.030 18429 11028 1 20 . 1 1 92 92 SER C C 92 174.463 174.463 175.089 -0.626 18429 11029 1 20 . 1 1 92 92 SER CA C 92 58.310 58.310 58.450 -0.140 18429 11030 1 20 . 1 1 92 92 SER CB C 92 63.616 63.616 64.347 -0.731 18429 11031 1 20 . 1 1 92 92 SER H H 92 8.183 8.183 7.785 0.398 18429 11032 1 20 . 1 1 93 93 TYR N N 93 122.140 122.140 123.058 -0.918 18429 11033 1 20 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.481 0.025 18429 11034 1 20 . 1 1 93 93 TYR C C 93 175.659 175.659 176.303 -0.644 18429 11035 1 20 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.602 -0.497 18429 11036 1 20 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.874 -0.584 18429 11037 1 20 . 1 1 93 93 TYR H H 93 8.206 8.206 8.084 0.122 18429 11038 1 20 . 1 1 94 94 LEU N N 94 123.025 123.025 123.895 -0.870 18429 11039 1 20 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.292 -0.093 18429 11040 1 20 . 1 1 94 94 LEU C C 94 177.037 177.037 177.360 -0.323 18429 11041 1 20 . 1 1 94 94 LEU CA C 94 54.945 54.945 55.918 -0.973 18429 11042 1 20 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.181 -0.014 18429 11043 1 20 . 1 1 94 94 LEU H H 94 8.007 8.007 8.453 -0.446 18429 11044 1 20 . 1 1 95 95 GLU N N 95 120.848 120.848 118.630 2.218 18429 11045 1 20 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.777 -0.661 18429 11046 1 20 . 1 1 95 95 GLU C C 95 176.268 176.268 175.468 0.800 18429 11047 1 20 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.175 0.538 18429 11048 1 20 . 1 1 95 95 GLU CB C 95 30.046 30.046 31.142 -1.096 18429 11049 1 20 . 1 1 95 95 GLU H H 95 8.141 8.141 8.152 -0.011 18429 11050 1 20 . 1 1 96 96 HIS N N 96 119.288 119.288 123.161 -3.873 18429 11051 1 20 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.850 -0.280 18429 11052 1 20 . 1 1 96 96 HIS C C 96 174.100 174.100 173.865 0.235 18429 11053 1 20 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.260 -0.421 18429 11054 1 20 . 1 1 96 96 HIS CB C 96 30.404 30.404 30.617 -0.213 18429 11055 1 20 . 1 1 96 96 HIS H H 96 8.144 8.144 8.708 -0.564 18429 11056 1 20 . 1 1 97 97 HIS N N 97 125.622 125.622 119.462 6.160 18429 11057 1 20 . 1 1 97 97 HIS C C 97 179.480 179.480 174.823 4.657 18429 11058 1 20 . 1 1 97 97 HIS CA C 97 57.447 57.447 55.615 1.832 18429 11059 1 20 . 1 1 97 97 HIS CB C 97 30.754 30.754 28.479 2.275 18429 11060 1 20 . 1 1 97 97 HIS H H 97 8.017 8.017 8.008 0.009 18429 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 90 2.005 0.073 2.015 18429 2 1 1 "Average Difference" HA 99 0.185 0.039 0.182 18429 3 1 1 "Average Difference" C 94 1.087 -0.268 1.060 18429 4 1 1 "Average Difference" CA 96 0.894 -0.112 0.891 18429 5 1 1 "Average Difference" CB 92 0.804 -0.010 0.808 18429 6 1 1 "Average Difference" HN 90 0.399 -0.155 0.370 18429 7 1 2 "Average Difference" N 90 1.770 0.190 1.769 18429 8 1 2 "Average Difference" HA 99 0.160 0.026 0.158 18429 9 1 2 "Average Difference" C 94 1.121 -0.327 1.079 18429 10 1 2 "Average Difference" CA 96 0.866 -0.196 0.848 18429 11 1 2 "Average Difference" CB 92 0.783 0.029 0.787 18429 12 1 2 "Average Difference" HN 90 0.371 -0.137 0.347 18429 13 1 3 "Average Difference" N 90 1.976 -0.068 1.986 18429 14 1 3 "Average Difference" HA 99 0.183 0.006 0.184 18429 15 1 3 "Average Difference" C 94 1.078 -0.167 1.070 18429 16 1 3 "Average Difference" CA 96 0.922 -0.027 0.927 18429 17 1 3 "Average Difference" CB 92 0.833 0.117 0.830 18429 18 1 3 "Average Difference" HN 90 0.417 -0.163 0.386 18429 19 1 4 "Average Difference" N 90 1.783 0.253 1.775 18429 20 1 4 "Average Difference" HA 99 0.173 0.016 0.173 18429 21 1 4 "Average Difference" C 94 1.069 -0.184 1.059 18429 22 1 4 "Average Difference" CA 96 0.888 -0.131 0.883 18429 23 1 4 "Average Difference" CB 92 0.675 0.025 0.678 18429 24 1 4 "Average Difference" HN 90 0.407 -0.147 0.381 18429 25 1 5 "Average Difference" N 90 1.639 0.025 1.648 18429 26 1 5 "Average Difference" HA 99 0.152 0.017 0.151 18429 27 1 5 "Average Difference" C 94 1.058 -0.185 1.047 18429 28 1 5 "Average Difference" CA 96 0.776 -0.070 0.777 18429 29 1 5 "Average Difference" CB 92 0.723 0.076 0.723 18429 30 1 5 "Average Difference" HN 90 0.419 -0.156 0.391 18429 31 1 6 "Average Difference" N 90 2.041 0.039 2.052 18429 32 1 6 "Average Difference" HA 99 0.172 0.021 0.171 18429 33 1 6 "Average Difference" C 94 1.144 -0.408 1.075 18429 34 1 6 "Average Difference" CA 96 1.008 -0.091 1.009 18429 35 1 6 "Average Difference" CB 92 0.853 0.012 0.858 18429 36 1 6 "Average Difference" HN 90 0.423 -0.188 0.381 18429 37 1 7 "Average Difference" N 90 2.059 -0.051 2.070 18429 38 1 7 "Average Difference" HA 99 0.156 0.002 0.157 18429 39 1 7 "Average Difference" C 94 1.123 -0.142 1.120 18429 40 1 7 "Average Difference" CA 96 1.053 -0.062 1.057 18429 41 1 7 "Average Difference" CB 92 0.698 0.001 0.702 18429 42 1 7 "Average Difference" HN 90 0.364 -0.143 0.336 18429 43 1 8 "Average Difference" N 90 1.929 -0.084 1.938 18429 44 1 8 "Average Difference" HA 99 0.164 0.017 0.164 18429 45 1 8 "Average Difference" C 94 0.986 -0.185 0.974 18429 46 1 8 "Average Difference" CA 96 0.859 -0.086 0.860 18429 47 1 8 "Average Difference" CB 92 0.884 -0.113 0.882 18429 48 1 8 "Average Difference" HN 90 0.417 -0.198 0.370 18429 49 1 9 "Average Difference" N 90 1.720 -0.021 1.730 18429 50 1 9 "Average Difference" HA 99 0.187 0.015 0.187 18429 51 1 9 "Average Difference" C 94 1.026 -0.240 1.003 18429 52 1 9 "Average Difference" CA 96 0.955 -0.107 0.954 18429 53 1 9 "Average Difference" CB 92 0.767 0.026 0.770 18429 54 1 9 "Average Difference" HN 90 0.426 -0.180 0.388 18429 55 1 10 "Average Difference" N 90 1.613 -0.022 1.622 18429 56 1 10 "Average Difference" HA 99 0.176 0.027 0.175 18429 57 1 10 "Average Difference" C 94 1.077 -0.207 1.063 18429 58 1 10 "Average Difference" CA 96 0.924 -0.148 0.917 18429 59 1 10 "Average Difference" CB 92 0.719 0.000 0.723 18429 60 1 10 "Average Difference" HN 90 0.393 -0.158 0.362 18429 61 1 11 "Average Difference" N 90 1.792 0.112 1.799 18429 62 1 11 "Average Difference" HA 99 0.168 0.025 0.167 18429 63 1 11 "Average Difference" C 94 1.094 -0.264 1.067 18429 64 1 11 "Average Difference" CA 96 1.011 -0.151 1.005 18429 65 1 11 "Average Difference" CB 92 0.764 0.011 0.768 18429 66 1 11 "Average Difference" HN 90 0.418 -0.171 0.383 18429 67 1 12 "Average Difference" N 90 2.079 0.383 2.055 18429 68 1 12 "Average Difference" HA 99 0.169 0.025 0.168 18429 69 1 12 "Average Difference" C 94 1.090 -0.223 1.073 18429 70 1 12 "Average Difference" CA 96 0.882 -0.037 0.886 18429 71 1 12 "Average Difference" CB 92 0.752 0.063 0.754 18429 72 1 12 "Average Difference" HN 90 0.422 -0.134 0.403 18429 73 1 13 "Average Difference" N 90 2.157 0.012 2.169 18429 74 1 13 "Average Difference" HA 99 0.195 0.031 0.193 18429 75 1 13 "Average Difference" C 94 1.159 -0.334 1.116 18429 76 1 13 "Average Difference" CA 96 1.082 -0.190 1.071 18429 77 1 13 "Average Difference" CB 92 0.724 -0.045 0.726 18429 78 1 13 "Average Difference" HN 90 0.398 -0.189 0.353 18429 79 1 14 "Average Difference" N 90 2.049 -0.028 2.060 18429 80 1 14 "Average Difference" HA 99 0.173 0.030 0.172 18429 81 1 14 "Average Difference" C 94 1.117 -0.275 1.088 18429 82 1 14 "Average Difference" CA 96 0.886 -0.125 0.881 18429 83 1 14 "Average Difference" CB 92 0.672 0.032 0.675 18429 84 1 14 "Average Difference" HN 90 0.428 -0.141 0.407 18429 85 1 15 "Average Difference" N 90 1.982 0.317 1.968 18429 86 1 15 "Average Difference" HA 99 0.178 0.033 0.176 18429 87 1 15 "Average Difference" C 94 1.135 -0.276 1.107 18429 88 1 15 "Average Difference" CA 96 0.924 -0.164 0.914 18429 89 1 15 "Average Difference" CB 92 0.726 0.001 0.730 18429 90 1 15 "Average Difference" HN 90 0.429 -0.176 0.393 18429 91 1 16 "Average Difference" N 90 1.965 0.182 1.967 18429 92 1 16 "Average Difference" HA 99 0.143 0.025 0.142 18429 93 1 16 "Average Difference" C 94 1.074 -0.276 1.044 18429 94 1 16 "Average Difference" CA 96 0.800 -0.081 0.800 18429 95 1 16 "Average Difference" CB 92 0.766 0.051 0.768 18429 96 1 16 "Average Difference" HN 90 0.398 -0.147 0.372 18429 97 1 17 "Average Difference" N 90 1.912 0.191 1.913 18429 98 1 17 "Average Difference" HA 99 0.168 0.005 0.169 18429 99 1 17 "Average Difference" C 94 1.047 -0.239 1.025 18429 100 1 17 "Average Difference" CA 96 0.893 -0.151 0.884 18429 101 1 17 "Average Difference" CB 92 0.804 -0.060 0.806 18429 102 1 17 "Average Difference" HN 90 0.384 -0.170 0.347 18429 103 1 18 "Average Difference" N 90 2.033 0.081 2.043 18429 104 1 18 "Average Difference" HA 99 0.145 0.025 0.144 18429 105 1 18 "Average Difference" C 94 1.124 -0.273 1.096 18429 106 1 18 "Average Difference" CA 96 0.931 -0.186 0.917 18429 107 1 18 "Average Difference" CB 92 0.660 -0.015 0.663 18429 108 1 18 "Average Difference" HN 90 0.382 -0.151 0.353 18429 109 1 19 "Average Difference" N 90 1.914 0.260 1.907 18429 110 1 19 "Average Difference" HA 99 0.162 0.028 0.160 18429 111 1 19 "Average Difference" C 94 1.063 -0.317 1.020 18429 112 1 19 "Average Difference" CA 96 0.813 -0.198 0.793 18429 113 1 19 "Average Difference" CB 92 0.911 0.069 0.914 18429 114 1 19 "Average Difference" HN 90 0.372 -0.108 0.358 18429 115 1 20 "Average Difference" N 90 2.039 0.100 2.048 18429 116 1 20 "Average Difference" HA 99 0.194 0.052 0.187 18429 117 1 20 "Average Difference" C 94 1.080 -0.271 1.051 18429 118 1 20 "Average Difference" CA 96 0.989 -0.142 0.984 18429 119 1 20 "Average Difference" CB 92 0.761 0.094 0.759 18429 120 1 20 "Average Difference" HN 90 0.406 -0.178 0.367 18429 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 18429 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN HA H 2 4.316 4.316 4.368 -0.052 18429 2 1 . 1 1 2 2 GLN C C 2 177.028 177.028 176.004 1.024 18429 3 1 . 1 1 2 2 GLN CA C 2 56.800 56.800 56.406 0.394 18429 4 1 . 1 1 2 2 GLN CB C 2 28.884 28.884 29.473 -0.589 18429 5 1 . 1 1 3 3 GLU N N 3 123.654 123.654 122.659 0.995 18429 6 1 . 1 1 3 3 GLU HA H 3 4.077 4.077 4.082 -0.005 18429 7 1 . 1 1 3 3 GLU C C 3 177.945 177.945 176.969 0.976 18429 8 1 . 1 1 3 3 GLU CA C 3 59.110 59.110 57.782 1.328 18429 9 1 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.226 0.117 18429 10 1 . 1 1 3 3 GLU H H 3 8.995 8.995 8.624 0.371 18429 11 1 . 1 1 4 4 GLU N N 4 119.237 119.237 119.122 0.115 18429 12 1 . 1 1 4 4 GLU HA H 4 4.069 4.069 4.063 0.006 18429 13 1 . 1 1 4 4 GLU C C 4 178.815 178.815 177.788 1.027 18429 14 1 . 1 1 4 4 GLU CA C 4 59.152 59.152 58.281 0.871 18429 15 1 . 1 1 4 4 GLU CB C 4 29.218 29.218 29.190 0.028 18429 16 1 . 1 1 4 4 GLU H H 4 8.837 8.837 8.414 0.423 18429 17 1 . 1 1 5 5 ARG N N 5 120.052 120.052 119.171 0.881 18429 18 1 . 1 1 5 5 ARG HA H 5 3.951 3.951 4.047 -0.096 18429 19 1 . 1 1 5 5 ARG C C 5 177.324 177.324 178.225 -0.901 18429 20 1 . 1 1 5 5 ARG CA C 5 59.241 59.241 58.953 0.288 18429 21 1 . 1 1 5 5 ARG CB C 5 29.981 29.981 30.049 -0.068 18429 22 1 . 1 1 5 5 ARG H H 5 7.884 7.884 8.096 -0.212 18429 23 1 . 1 1 6 6 LYS N N 6 119.327 119.327 119.115 0.212 18429 24 1 . 1 1 6 6 LYS HA H 6 3.980 3.980 4.070 -0.090 18429 25 1 . 1 1 6 6 LYS C C 6 178.939 178.939 178.706 0.233 18429 26 1 . 1 1 6 6 LYS CA C 6 59.332 59.332 58.921 0.411 18429 27 1 . 1 1 6 6 LYS CB C 6 32.154 32.154 31.824 0.330 18429 28 1 . 1 1 6 6 LYS H H 6 7.998 7.998 8.077 -0.079 18429 29 1 . 1 1 7 7 LYS N N 7 117.908 117.908 119.570 -1.662 18429 30 1 . 1 1 7 7 LYS HA H 7 4.096 4.096 4.138 -0.041 18429 31 1 . 1 1 7 7 LYS C C 7 179.332 179.332 178.993 0.339 18429 32 1 . 1 1 7 7 LYS CA C 7 58.767 58.767 58.560 0.206 18429 33 1 . 1 1 7 7 LYS CB C 7 32.297 32.297 31.923 0.374 18429 34 1 . 1 1 7 7 LYS H H 7 7.917 7.917 7.817 0.100 18429 35 1 . 1 1 8 8 LEU N N 8 120.724 120.724 120.717 0.007 18429 36 1 . 1 1 8 8 LEU HA H 8 4.049 4.049 4.052 -0.003 18429 37 1 . 1 1 8 8 LEU C C 8 178.490 178.490 178.547 -0.057 18429 38 1 . 1 1 8 8 LEU CA C 8 57.689 57.689 57.970 -0.281 18429 39 1 . 1 1 8 8 LEU CB C 8 41.605 41.605 41.655 -0.050 18429 40 1 . 1 1 8 8 LEU H H 8 7.686 7.686 7.797 -0.111 18429 41 1 . 1 1 9 9 LEU N N 9 118.886 118.886 116.907 1.979 18429 42 1 . 1 1 9 9 LEU HA H 9 3.938 3.938 4.006 -0.068 18429 43 1 . 1 1 9 9 LEU C C 9 178.981 178.981 178.944 0.037 18429 44 1 . 1 1 9 9 LEU CA C 9 57.958 57.958 57.713 0.245 18429 45 1 . 1 1 9 9 LEU CB C 9 40.842 40.842 41.043 -0.201 18429 46 1 . 1 1 9 9 LEU H H 9 8.158 8.158 7.644 0.514 18429 47 1 . 1 1 10 10 GLU N N 10 119.000 119.000 120.036 -1.036 18429 48 1 . 1 1 10 10 GLU HA H 10 4.052 4.052 4.032 0.020 18429 49 1 . 1 1 10 10 GLU C C 10 179.601 179.601 178.774 0.827 18429 50 1 . 1 1 10 10 GLU CA C 10 59.278 59.278 59.294 -0.016 18429 51 1 . 1 1 10 10 GLU CB C 10 29.286 29.286 29.197 0.089 18429 52 1 . 1 1 10 10 GLU H H 10 8.069 8.069 8.157 -0.088 18429 53 1 . 1 1 11 11 LYS N N 11 119.446 119.446 119.750 -0.304 18429 54 1 . 1 1 11 11 LYS HA H 11 4.083 4.083 4.075 0.008 18429 55 1 . 1 1 11 11 LYS C C 11 178.971 178.971 178.761 0.210 18429 56 1 . 1 1 11 11 LYS CA C 11 58.772 58.772 58.819 -0.047 18429 57 1 . 1 1 11 11 LYS CB C 11 31.996 31.996 32.153 -0.157 18429 58 1 . 1 1 11 11 LYS H H 11 7.676 7.676 7.640 0.036 18429 59 1 . 1 1 12 12 LEU N N 12 120.017 120.017 120.395 -0.378 18429 60 1 . 1 1 12 12 LEU HA H 12 3.884 3.884 3.945 -0.061 18429 61 1 . 1 1 12 12 LEU C C 12 177.977 177.977 178.576 -0.599 18429 62 1 . 1 1 12 12 LEU CA C 12 57.725 57.725 58.135 -0.410 18429 63 1 . 1 1 12 12 LEU CB C 12 41.577 41.577 41.324 0.253 18429 64 1 . 1 1 12 12 LEU H H 12 8.378 8.378 7.704 0.674 18429 65 1 . 1 1 13 13 GLU N N 13 117.914 117.914 118.356 -0.442 18429 66 1 . 1 1 13 13 GLU HA H 13 3.696 3.696 3.851 -0.155 18429 67 1 . 1 1 13 13 GLU C C 13 177.934 177.934 179.084 -1.150 18429 68 1 . 1 1 13 13 GLU CA C 13 60.116 60.116 59.563 0.553 18429 69 1 . 1 1 13 13 GLU CB C 13 29.398 29.398 29.055 0.343 18429 70 1 . 1 1 13 13 GLU H H 13 8.458 8.458 8.029 0.429 18429 71 1 . 1 1 14 14 LYS N N 14 117.629 117.629 119.611 -1.982 18429 72 1 . 1 1 14 14 LYS HA H 14 4.135 4.135 4.074 0.061 18429 73 1 . 1 1 14 14 LYS C C 14 179.227 179.227 179.071 0.156 18429 74 1 . 1 1 14 14 LYS CA C 14 58.866 58.866 58.986 -0.120 18429 75 1 . 1 1 14 14 LYS CB C 14 32.127 32.127 32.268 -0.141 18429 76 1 . 1 1 14 14 LYS H H 14 7.365 7.365 7.574 -0.209 18429 77 1 . 1 1 15 15 ILE N N 15 119.583 119.583 120.434 -0.851 18429 78 1 . 1 1 15 15 ILE HA H 15 3.777 3.777 3.744 0.033 18429 79 1 . 1 1 15 15 ILE C C 15 178.009 178.009 178.198 -0.189 18429 80 1 . 1 1 15 15 ILE CA C 15 64.889 64.889 64.953 -0.064 18429 81 1 . 1 1 15 15 ILE CB C 15 38.200 38.200 37.776 0.424 18429 82 1 . 1 1 15 15 ILE H H 15 7.726 7.726 7.782 -0.056 18429 83 1 . 1 1 16 16 LEU N N 16 118.601 118.601 119.500 -0.899 18429 84 1 . 1 1 16 16 LEU HA H 16 3.853 3.853 3.868 -0.015 18429 85 1 . 1 1 16 16 LEU C C 16 179.729 179.729 178.926 0.803 18429 86 1 . 1 1 16 16 LEU CA C 16 57.842 57.842 58.246 -0.404 18429 87 1 . 1 1 16 16 LEU CB C 16 40.637 40.637 40.791 -0.154 18429 88 1 . 1 1 16 16 LEU H H 16 8.372 8.372 7.971 0.401 18429 89 1 . 1 1 17 17 ASP N N 17 120.008 120.008 119.247 0.761 18429 90 1 . 1 1 17 17 ASP HA H 17 4.336 4.336 4.401 -0.065 18429 91 1 . 1 1 17 17 ASP C C 17 178.148 178.148 178.757 -0.609 18429 92 1 . 1 1 17 17 ASP CA C 17 57.289 57.289 57.279 0.010 18429 93 1 . 1 1 17 17 ASP CB C 17 40.268 40.268 40.882 -0.614 18429 94 1 . 1 1 17 17 ASP H H 17 8.192 8.192 7.995 0.197 18429 95 1 . 1 1 18 18 GLU N N 18 119.362 119.362 119.408 -0.046 18429 96 1 . 1 1 18 18 GLU HA H 18 4.151 4.151 4.185 -0.034 18429 97 1 . 1 1 18 18 GLU C C 18 179.653 179.653 179.141 0.512 18429 98 1 . 1 1 18 18 GLU CA C 18 59.255 59.255 58.737 0.518 18429 99 1 . 1 1 18 18 GLU CB C 18 29.200 29.200 29.769 -0.569 18429 100 1 . 1 1 18 18 GLU H H 18 7.860 7.860 7.779 0.081 18429 101 1 . 1 1 19 19 VAL N N 19 118.483 118.483 119.233 -0.750 18429 102 1 . 1 1 19 19 VAL HA H 19 3.826 3.826 3.844 -0.018 18429 103 1 . 1 1 19 19 VAL C C 19 177.496 177.496 177.483 0.013 18429 104 1 . 1 1 19 19 VAL CA C 19 64.897 64.897 66.066 -1.168 18429 105 1 . 1 1 19 19 VAL CB C 19 31.809 31.809 31.903 -0.094 18429 106 1 . 1 1 19 19 VAL H H 19 8.416 8.416 8.192 0.224 18429 107 1 . 1 1 20 20 THR N N 20 112.904 112.904 111.846 1.058 18429 108 1 . 1 1 20 20 THR HA H 20 3.856 3.856 4.084 -0.228 18429 109 1 . 1 1 20 20 THR C C 20 175.894 175.894 176.295 -0.401 18429 110 1 . 1 1 20 20 THR CA C 20 65.696 65.696 65.547 0.149 18429 111 1 . 1 1 20 20 THR CB C 20 68.587 68.587 68.732 -0.145 18429 112 1 . 1 1 20 20 THR H H 20 7.985 7.985 7.854 0.131 18429 113 1 . 1 1 21 21 ASP N N 21 120.510 120.510 121.724 -1.214 18429 114 1 . 1 1 21 21 ASP HA H 21 4.443 4.443 4.525 -0.082 18429 115 1 . 1 1 21 21 ASP C C 21 177.358 177.358 177.712 -0.354 18429 116 1 . 1 1 21 21 ASP CA C 21 56.368 56.368 56.398 -0.030 18429 117 1 . 1 1 21 21 ASP CB C 21 40.873 40.873 40.863 0.010 18429 118 1 . 1 1 21 21 ASP H H 21 7.935 7.935 7.827 0.108 18429 119 1 . 1 1 22 22 GLY N N 22 106.730 106.730 107.188 -0.457 18429 120 1 . 1 1 22 22 GLY C C 22 174.004 174.004 173.852 0.152 18429 121 1 . 1 1 22 22 GLY CA C 22 44.827 44.827 44.692 0.135 18429 122 1 . 1 1 22 22 GLY H H 22 7.939 7.939 7.799 0.140 18429 123 1 . 1 1 23 23 ALA N N 23 124.286 124.286 123.827 0.460 18429 124 1 . 1 1 23 23 ALA HA H 23 4.508 4.508 4.527 -0.019 18429 125 1 . 1 1 23 23 ALA C C 23 174.921 174.921 175.825 -0.904 18429 126 1 . 1 1 23 23 ALA CA C 23 50.351 50.351 50.263 0.088 18429 127 1 . 1 1 23 23 ALA CB C 23 17.504 17.504 18.730 -1.226 18429 128 1 . 1 1 23 23 ALA H H 23 7.531 7.531 7.378 0.153 18429 129 1 . 1 1 24 24 PRO HA H 24 4.563 4.563 4.454 0.109 18429 130 1 . 1 1 24 24 PRO C C 24 177.571 177.571 176.870 0.701 18429 131 1 . 1 1 24 24 PRO CA C 24 62.490 62.490 63.013 -0.523 18429 132 1 . 1 1 24 24 PRO CB C 24 32.098 32.098 31.922 0.176 18429 133 1 . 1 1 25 25 ASP N N 25 122.828 122.828 120.379 2.449 18429 134 1 . 1 1 25 25 ASP HA H 25 4.255 4.255 4.278 -0.023 18429 135 1 . 1 1 25 25 ASP C C 25 178.298 178.298 177.640 0.658 18429 136 1 . 1 1 25 25 ASP CA C 25 58.063 58.063 57.063 1.000 18429 137 1 . 1 1 25 25 ASP CB C 25 40.517 40.517 40.373 0.144 18429 138 1 . 1 1 25 25 ASP H H 25 8.779 8.779 8.512 0.267 18429 139 1 . 1 1 26 26 GLU N N 26 117.055 117.055 119.617 -2.562 18429 140 1 . 1 1 26 26 GLU HA H 26 4.135 4.135 4.165 -0.030 18429 141 1 . 1 1 26 26 GLU C C 26 177.454 177.454 177.986 -0.532 18429 142 1 . 1 1 26 26 GLU CA C 26 59.224 59.224 58.190 1.034 18429 143 1 . 1 1 26 26 GLU CB C 26 28.554 28.554 29.299 -0.745 18429 144 1 . 1 1 26 26 GLU H H 26 9.324 9.324 8.533 0.791 18429 145 1 . 1 1 27 27 ALA N N 27 120.789 120.789 122.134 -1.345 18429 146 1 . 1 1 27 27 ALA HA H 27 4.411 4.411 4.226 0.185 18429 147 1 . 1 1 27 27 ALA C C 27 178.065 178.065 178.882 -0.817 18429 148 1 . 1 1 27 27 ALA CA C 27 52.879 52.879 53.678 -0.799 18429 149 1 . 1 1 27 27 ALA CB C 27 19.896 19.896 18.439 1.458 18429 150 1 . 1 1 27 27 ALA H H 27 7.474 7.474 8.001 -0.527 18429 151 1 . 1 1 28 28 ARG N N 28 118.872 118.872 119.338 -0.466 18429 152 1 . 1 1 28 28 ARG HA H 28 3.675 3.675 3.971 -0.296 18429 153 1 . 1 1 28 28 ARG C C 28 177.550 177.550 177.807 -0.257 18429 154 1 . 1 1 28 28 ARG CA C 28 60.602 60.602 59.726 0.876 18429 155 1 . 1 1 28 28 ARG CB C 28 29.544 29.544 30.214 -0.670 18429 156 1 . 1 1 28 28 ARG H H 28 7.803 7.803 7.926 -0.123 18429 157 1 . 1 1 29 29 GLU N N 29 117.512 117.512 118.071 -0.559 18429 158 1 . 1 1 29 29 GLU HA H 29 4.042 4.042 4.100 -0.058 18429 159 1 . 1 1 29 29 GLU C C 29 179.122 179.122 179.052 0.070 18429 160 1 . 1 1 29 29 GLU CA C 29 59.607 59.607 59.154 0.453 18429 161 1 . 1 1 29 29 GLU CB C 29 29.241 29.241 28.845 0.396 18429 162 1 . 1 1 29 29 GLU H H 29 8.490 8.490 8.068 0.422 18429 163 1 . 1 1 30 30 ARG N N 30 119.240 119.240 119.625 -0.385 18429 164 1 . 1 1 30 30 ARG HA H 30 4.134 4.134 4.124 0.010 18429 165 1 . 1 1 30 30 ARG C C 30 179.248 179.248 178.723 0.525 18429 166 1 . 1 1 30 30 ARG CA C 30 58.829 58.829 58.579 0.250 18429 167 1 . 1 1 30 30 ARG CB C 30 29.865 29.865 29.716 0.149 18429 168 1 . 1 1 30 30 ARG H H 30 7.789 7.789 7.631 0.158 18429 169 1 . 1 1 31 31 ILE N N 31 120.920 120.920 119.849 1.071 18429 170 1 . 1 1 31 31 ILE HA H 31 3.738 3.738 3.841 -0.103 18429 171 1 . 1 1 31 31 ILE C C 31 177.089 177.089 178.219 -1.130 18429 172 1 . 1 1 31 31 ILE CA C 31 63.818 63.818 65.176 -1.358 18429 173 1 . 1 1 31 31 ILE CB C 31 37.085 37.085 37.739 -0.654 18429 174 1 . 1 1 31 31 ILE H H 31 8.256 8.256 7.604 0.652 18429 175 1 . 1 1 32 32 GLU N N 32 120.281 120.281 119.756 0.525 18429 176 1 . 1 1 32 32 GLU HA H 32 3.936 3.936 3.972 -0.036 18429 177 1 . 1 1 32 32 GLU C C 32 179.429 179.429 179.060 0.369 18429 178 1 . 1 1 32 32 GLU CA C 32 59.559 59.559 59.633 -0.074 18429 179 1 . 1 1 32 32 GLU CB C 32 29.403 29.403 29.180 0.223 18429 180 1 . 1 1 32 32 GLU H H 32 8.697 8.697 8.423 0.274 18429 181 1 . 1 1 33 33 LYS N N 33 119.737 119.737 119.732 0.005 18429 182 1 . 1 1 33 33 LYS HA H 33 4.058 4.058 4.112 -0.054 18429 183 1 . 1 1 33 33 LYS C C 33 178.159 178.159 179.056 -0.897 18429 184 1 . 1 1 33 33 LYS CA C 33 59.411 59.411 59.015 0.396 18429 185 1 . 1 1 33 33 LYS CB C 33 32.050 32.050 32.463 -0.413 18429 186 1 . 1 1 33 33 LYS H H 33 7.764 7.764 7.566 0.198 18429 187 1 . 1 1 34 34 LEU N N 34 120.133 120.133 120.480 -0.347 18429 188 1 . 1 1 34 34 LEU HA H 34 4.232 4.232 4.317 -0.085 18429 189 1 . 1 1 34 34 LEU C C 34 178.629 178.629 178.491 0.138 18429 190 1 . 1 1 34 34 LEU CA C 34 57.507 57.507 57.417 0.090 18429 191 1 . 1 1 34 34 LEU CB C 34 41.797 41.797 41.854 -0.057 18429 192 1 . 1 1 34 34 LEU H H 34 7.790 7.790 7.792 -0.002 18429 193 1 . 1 1 35 35 ALA N N 35 119.492 119.492 121.214 -1.722 18429 194 1 . 1 1 35 35 ALA HA H 35 3.768 3.768 3.824 -0.056 18429 195 1 . 1 1 35 35 ALA C C 35 179.297 179.297 179.310 -0.013 18429 196 1 . 1 1 35 35 ALA CA C 35 55.023 55.023 55.352 -0.329 18429 197 1 . 1 1 35 35 ALA CB C 35 18.191 18.191 18.055 0.136 18429 198 1 . 1 1 35 35 ALA H H 35 8.634 8.634 8.351 0.283 18429 199 1 . 1 1 36 36 LYS N N 36 118.470 118.470 118.627 -0.157 18429 200 1 . 1 1 36 36 LYS HA H 36 3.931 3.931 3.968 -0.037 18429 201 1 . 1 1 36 36 LYS C C 36 178.223 178.223 178.474 -0.251 18429 202 1 . 1 1 36 36 LYS CA C 36 59.195 59.195 59.545 -0.350 18429 203 1 . 1 1 36 36 LYS CB C 36 32.055 32.055 32.251 -0.196 18429 204 1 . 1 1 36 36 LYS H H 36 7.704 7.704 7.697 0.007 18429 205 1 . 1 1 37 37 ASP N N 37 120.075 120.075 119.438 0.637 18429 206 1 . 1 1 37 37 ASP HA H 37 4.403 4.403 4.516 -0.113 18429 207 1 . 1 1 37 37 ASP C C 37 179.334 179.334 178.769 0.565 18429 208 1 . 1 1 37 37 ASP CA C 37 57.181 57.181 57.301 -0.120 18429 209 1 . 1 1 37 37 ASP CB C 37 39.977 39.977 40.667 -0.690 18429 210 1 . 1 1 37 37 ASP H H 37 8.203 8.203 7.753 0.450 18429 211 1 . 1 1 38 38 VAL N N 38 118.202 118.202 119.542 -1.340 18429 212 1 . 1 1 38 38 VAL HA H 38 3.623 3.623 3.611 0.012 18429 213 1 . 1 1 38 38 VAL C C 38 177.017 177.017 177.747 -0.730 18429 214 1 . 1 1 38 38 VAL CA C 38 65.668 65.668 66.140 -0.472 18429 215 1 . 1 1 38 38 VAL CB C 38 31.237 31.237 31.094 0.143 18429 216 1 . 1 1 38 38 VAL H H 38 8.215 8.215 7.987 0.228 18429 217 1 . 1 1 39 39 LYS N N 39 119.236 119.236 119.565 -0.329 18429 218 1 . 1 1 39 39 LYS HA H 39 3.810 3.810 3.953 -0.143 18429 219 1 . 1 1 39 39 LYS C C 39 178.575 178.575 178.987 -0.412 18429 220 1 . 1 1 39 39 LYS CA C 39 59.713 59.713 59.666 0.047 18429 221 1 . 1 1 39 39 LYS CB C 39 32.091 32.091 31.886 0.205 18429 222 1 . 1 1 39 39 LYS H H 39 7.780 7.780 7.599 0.181 18429 223 1 . 1 1 40 40 ASP N N 40 118.227 118.227 119.381 -1.154 18429 224 1 . 1 1 40 40 ASP HA H 40 4.452 4.452 4.415 0.037 18429 225 1 . 1 1 40 40 ASP C C 40 178.137 178.137 178.381 -0.244 18429 226 1 . 1 1 40 40 ASP CA C 40 56.423 56.423 57.487 -1.064 18429 227 1 . 1 1 40 40 ASP CB C 40 40.410 40.410 40.580 -0.170 18429 228 1 . 1 1 40 40 ASP H H 40 8.273 8.273 7.854 0.419 18429 229 1 . 1 1 41 41 GLU N N 41 119.896 119.896 119.139 0.757 18429 230 1 . 1 1 41 41 GLU HA H 41 4.231 4.231 4.245 -0.014 18429 231 1 . 1 1 41 41 GLU C C 41 177.849 177.849 178.884 -1.035 18429 232 1 . 1 1 41 41 GLU CA C 41 57.385 57.385 58.082 -0.697 18429 233 1 . 1 1 41 41 GLU CB C 41 29.731 29.731 29.428 0.303 18429 234 1 . 1 1 41 41 GLU H H 41 7.875 7.875 7.678 0.197 18429 235 1 . 1 1 42 42 LEU N N 42 119.906 119.906 118.926 0.980 18429 236 1 . 1 1 42 42 LEU HA H 42 4.124 4.124 4.071 0.053 18429 237 1 . 1 1 42 42 LEU C C 42 178.276 178.276 178.616 -0.340 18429 238 1 . 1 1 42 42 LEU CA C 42 56.713 56.713 57.266 -0.553 18429 239 1 . 1 1 42 42 LEU CB C 42 42.148 42.148 41.787 0.361 18429 240 1 . 1 1 42 42 LEU H H 42 7.952 7.952 7.982 -0.031 18429 241 1 . 1 1 43 43 GLU N N 43 117.735 117.735 117.569 0.166 18429 242 1 . 1 1 43 43 GLU HA H 43 4.135 4.135 4.201 -0.066 18429 243 1 . 1 1 43 43 GLU C C 43 177.582 177.582 177.203 0.379 18429 244 1 . 1 1 43 43 GLU CA C 43 58.804 58.804 58.044 0.760 18429 245 1 . 1 1 43 43 GLU CB C 43 29.571 29.571 30.262 -0.691 18429 246 1 . 1 1 43 43 GLU H H 43 8.020 8.020 7.729 0.291 18429 247 1 . 1 1 44 44 GLU N N 44 116.308 116.308 117.452 -1.144 18429 248 1 . 1 1 44 44 GLU HA H 44 4.416 4.416 4.386 0.030 18429 249 1 . 1 1 44 44 GLU C C 44 177.133 177.133 176.357 0.777 18429 250 1 . 1 1 44 44 GLU CA C 44 56.448 56.448 56.520 -0.072 18429 251 1 . 1 1 44 44 GLU CB C 44 31.114 31.114 31.078 0.036 18429 252 1 . 1 1 44 44 GLU H H 44 8.128 8.128 7.986 0.142 18429 253 1 . 1 1 45 45 GLY N N 45 109.450 109.450 110.444 -0.994 18429 254 1 . 1 1 45 45 GLY C C 45 173.685 173.685 173.206 0.479 18429 255 1 . 1 1 45 45 GLY CA C 45 45.374 45.374 44.848 0.526 18429 256 1 . 1 1 45 45 GLY H H 45 8.156 8.156 8.002 0.154 18429 257 1 . 1 1 46 46 ASP N N 46 120.995 120.995 121.149 -0.154 18429 258 1 . 1 1 46 46 ASP HA H 46 4.688 4.688 4.668 0.020 18429 259 1 . 1 1 46 46 ASP C C 46 176.375 176.375 175.912 0.463 18429 260 1 . 1 1 46 46 ASP CA C 46 53.625 53.625 54.245 -0.620 18429 261 1 . 1 1 46 46 ASP CB C 46 41.207 41.207 41.543 -0.336 18429 262 1 . 1 1 46 46 ASP H H 46 8.467 8.467 8.354 0.113 18429 263 1 . 1 1 47 47 ALA N N 47 124.626 124.626 125.973 -1.347 18429 264 1 . 1 1 47 47 ALA HA H 47 4.123 4.123 4.108 0.015 18429 265 1 . 1 1 47 47 ALA C C 47 178.084 178.084 178.257 -0.173 18429 266 1 . 1 1 47 47 ALA CA C 47 53.941 53.941 53.960 -0.019 18429 267 1 . 1 1 47 47 ALA CB C 47 18.984 18.984 18.938 0.046 18429 268 1 . 1 1 47 47 ALA H H 47 8.483 8.483 8.400 0.083 18429 269 1 . 1 1 48 48 LYS N N 48 118.214 118.214 119.949 -1.735 18429 270 1 . 1 1 48 48 LYS HA H 48 3.801 3.801 3.957 -0.156 18429 271 1 . 1 1 48 48 LYS C C 48 177.582 177.582 178.158 -0.576 18429 272 1 . 1 1 48 48 LYS CA C 48 60.112 60.112 59.441 0.671 18429 273 1 . 1 1 48 48 LYS CB C 48 32.160 32.160 32.102 0.058 18429 274 1 . 1 1 48 48 LYS H H 48 8.349 8.349 8.105 0.244 18429 275 1 . 1 1 49 49 ASN N N 49 116.387 116.387 117.439 -1.052 18429 276 1 . 1 1 49 49 ASN HA H 49 4.508 4.508 4.676 -0.168 18429 277 1 . 1 1 49 49 ASN C C 49 177.753 177.753 177.662 0.091 18429 278 1 . 1 1 49 49 ASN CA C 49 55.981 55.981 55.946 0.035 18429 279 1 . 1 1 49 49 ASN CB C 49 38.365 38.365 38.181 0.184 18429 280 1 . 1 1 49 49 ASN H H 49 8.184 8.184 8.368 -0.184 18429 281 1 . 1 1 50 50 MET N N 50 118.627 118.627 118.146 0.481 18429 282 1 . 1 1 50 50 MET HA H 50 4.335 4.335 4.287 0.048 18429 283 1 . 1 1 50 50 MET C C 50 178.683 178.683 178.744 -0.061 18429 284 1 . 1 1 50 50 MET CA C 50 57.203 57.203 57.693 -0.490 18429 285 1 . 1 1 50 50 MET CB C 50 32.289 32.289 31.795 0.494 18429 286 1 . 1 1 50 50 MET H H 50 8.189 8.189 7.678 0.511 18429 287 1 . 1 1 51 51 ILE N N 51 120.778 120.778 120.398 0.380 18429 288 1 . 1 1 51 51 ILE HA H 51 3.693 3.693 3.691 0.002 18429 289 1 . 1 1 51 51 ILE C C 51 177.667 177.667 178.011 -0.344 18429 290 1 . 1 1 51 51 ILE CA C 51 65.364 65.364 65.477 -0.113 18429 291 1 . 1 1 51 51 ILE CB C 51 37.284 37.284 37.377 -0.093 18429 292 1 . 1 1 51 51 ILE H H 51 8.475 8.475 8.002 0.473 18429 293 1 . 1 1 52 52 GLU N N 52 120.715 120.715 119.833 0.882 18429 294 1 . 1 1 52 52 GLU HA H 52 3.839 3.839 4.006 -0.167 18429 295 1 . 1 1 52 52 GLU C C 52 178.201 178.201 179.133 -0.932 18429 296 1 . 1 1 52 52 GLU CA C 52 60.127 60.127 59.605 0.522 18429 297 1 . 1 1 52 52 GLU CB C 52 29.246 29.246 29.342 -0.096 18429 298 1 . 1 1 52 52 GLU H H 52 8.372 8.372 8.014 0.358 18429 299 1 . 1 1 53 53 LYS N N 53 118.426 118.426 118.781 -0.355 18429 300 1 . 1 1 53 53 LYS HA H 53 4.130 4.130 4.180 -0.050 18429 301 1 . 1 1 53 53 LYS C C 53 179.163 179.163 178.688 0.475 18429 302 1 . 1 1 53 53 LYS CA C 53 59.087 59.087 58.143 0.944 18429 303 1 . 1 1 53 53 LYS CB C 53 32.150 32.150 32.055 0.095 18429 304 1 . 1 1 53 53 LYS H H 53 7.766 7.766 8.037 -0.271 18429 305 1 . 1 1 54 54 PHE N N 54 120.522 120.522 121.687 -1.165 18429 306 1 . 1 1 54 54 PHE HA H 54 4.102 4.102 4.230 -0.128 18429 307 1 . 1 1 54 54 PHE C C 54 176.920 176.920 177.032 -0.112 18429 308 1 . 1 1 54 54 PHE CA C 54 61.537 61.537 61.239 0.298 18429 309 1 . 1 1 54 54 PHE CB C 54 39.412 39.412 39.386 0.026 18429 310 1 . 1 1 54 54 PHE H H 54 7.990 7.990 8.246 -0.256 18429 311 1 . 1 1 55 55 ARG N N 55 120.870 120.870 119.845 1.025 18429 312 1 . 1 1 55 55 ARG HA H 55 3.826 3.826 3.911 -0.085 18429 313 1 . 1 1 55 55 ARG C C 55 178.383 178.383 178.080 0.303 18429 314 1 . 1 1 55 55 ARG CA C 55 59.960 59.960 59.318 0.642 18429 315 1 . 1 1 55 55 ARG CB C 55 32.115 32.115 29.602 2.513 18429 316 1 . 1 1 55 55 ARG H H 55 8.774 8.774 8.066 0.708 18429 317 1 . 1 1 56 56 ASP N N 56 119.776 119.776 118.846 0.930 18429 318 1 . 1 1 56 56 ASP HA H 56 4.327 4.327 4.399 -0.072 18429 319 1 . 1 1 56 56 ASP C C 56 179.398 179.398 178.404 0.994 18429 320 1 . 1 1 56 56 ASP CA C 56 57.556 57.556 57.588 -0.032 18429 321 1 . 1 1 56 56 ASP CB C 56 39.817 39.817 40.721 -0.904 18429 322 1 . 1 1 56 56 ASP H H 56 8.491 8.491 7.890 0.601 18429 323 1 . 1 1 57 57 GLU N N 57 120.418 120.418 119.563 0.855 18429 324 1 . 1 1 57 57 GLU HA H 57 4.053 4.053 4.044 0.009 18429 325 1 . 1 1 57 57 GLU C C 57 179.708 179.708 178.789 0.919 18429 326 1 . 1 1 57 57 GLU CA C 57 58.894 58.894 58.767 0.127 18429 327 1 . 1 1 57 57 GLU CB C 57 29.376 29.376 29.382 -0.006 18429 328 1 . 1 1 57 57 GLU H H 57 7.894 7.894 7.768 0.126 18429 329 1 . 1 1 58 58 MET N N 58 119.674 119.674 118.819 0.855 18429 330 1 . 1 1 58 58 MET HA H 58 4.090 4.090 3.959 0.132 18429 331 1 . 1 1 58 58 MET C C 58 178.137 178.137 178.191 -0.053 18429 332 1 . 1 1 58 58 MET CA C 58 58.568 58.568 58.616 -0.048 18429 333 1 . 1 1 58 58 MET CB C 58 31.846 31.846 32.181 -0.335 18429 334 1 . 1 1 58 58 MET H H 58 8.352 8.352 7.973 0.379 18429 335 1 . 1 1 59 59 GLU N N 59 119.770 119.770 119.147 0.623 18429 336 1 . 1 1 59 59 GLU HA H 59 3.950 3.950 3.992 -0.042 18429 337 1 . 1 1 59 59 GLU C C 59 178.939 178.939 178.846 0.093 18429 338 1 . 1 1 59 59 GLU CA C 59 59.744 59.744 59.627 0.117 18429 339 1 . 1 1 59 59 GLU CB C 59 29.177 29.177 29.436 -0.259 18429 340 1 . 1 1 59 59 GLU H H 59 8.717 8.717 8.025 0.692 18429 341 1 . 1 1 60 60 GLN N N 60 117.895 117.895 119.312 -1.417 18429 342 1 . 1 1 60 60 GLN HA H 60 3.971 3.971 4.070 -0.099 18429 343 1 . 1 1 60 60 GLN C C 60 178.052 178.052 178.657 -0.605 18429 344 1 . 1 1 60 60 GLN CA C 60 58.254 58.254 58.779 -0.525 18429 345 1 . 1 1 60 60 GLN CB C 60 28.118 28.118 28.650 -0.532 18429 346 1 . 1 1 60 60 GLN H H 60 7.613 7.613 7.584 0.029 18429 347 1 . 1 1 61 61 MET N N 61 118.464 118.464 117.116 1.348 18429 348 1 . 1 1 61 61 MET HA H 61 4.080 4.080 4.252 -0.172 18429 349 1 . 1 1 61 61 MET C C 61 178.545 178.545 178.500 0.045 18429 350 1 . 1 1 61 61 MET CA C 61 58.972 58.972 58.565 0.407 18429 351 1 . 1 1 61 61 MET CB C 61 32.309 32.309 32.628 -0.319 18429 352 1 . 1 1 61 61 MET H H 61 7.943 7.943 7.872 0.071 18429 353 1 . 1 1 62 62 TYR N N 62 119.118 119.118 121.793 -2.675 18429 354 1 . 1 1 62 62 TYR HA H 62 4.160 4.160 4.314 -0.154 18429 355 1 . 1 1 62 62 TYR C C 62 176.118 176.118 176.701 -0.583 18429 356 1 . 1 1 62 62 TYR CA C 62 60.251 60.251 60.919 -0.668 18429 357 1 . 1 1 62 62 TYR CB C 62 38.389 38.389 38.514 -0.125 18429 358 1 . 1 1 62 62 TYR H H 62 8.313 8.313 8.119 0.194 18429 359 1 . 1 1 63 63 LYS N N 63 117.899 117.899 118.034 -0.135 18429 360 1 . 1 1 63 63 LYS HA H 63 3.796 3.796 3.818 -0.022 18429 361 1 . 1 1 63 63 LYS C C 63 178.470 178.470 177.732 0.738 18429 362 1 . 1 1 63 63 LYS CA C 63 58.802 58.802 58.162 0.640 18429 363 1 . 1 1 63 63 LYS CB C 63 32.018 32.018 32.258 -0.240 18429 364 1 . 1 1 63 63 LYS H H 63 7.806 7.806 7.733 0.073 18429 365 1 . 1 1 64 64 ASP N N 64 116.931 116.931 118.662 -1.731 18429 366 1 . 1 1 64 64 ASP HA H 64 4.485 4.485 4.512 -0.027 18429 367 1 . 1 1 64 64 ASP C C 64 176.460 176.460 175.933 0.527 18429 368 1 . 1 1 64 64 ASP CA C 64 55.640 55.640 55.647 -0.007 18429 369 1 . 1 1 64 64 ASP CB C 64 41.196 41.196 41.686 -0.490 18429 370 1 . 1 1 64 64 ASP H H 64 7.771 7.771 7.759 0.012 18429 371 1 . 1 1 65 65 ALA N N 65 121.417 121.417 121.226 0.191 18429 372 1 . 1 1 65 65 ALA HA H 65 4.592 4.592 4.679 -0.087 18429 373 1 . 1 1 65 65 ALA C C 65 180.460 180.460 174.710 5.750 18429 374 1 . 1 1 65 65 ALA CA C 65 50.223 50.223 49.741 0.482 18429 375 1 . 1 1 65 65 ALA CB C 65 18.275 18.275 19.847 -1.572 18429 376 1 . 1 1 65 65 ALA H H 65 7.536 7.536 7.499 0.037 18429 377 1 . 1 1 66 66 PRO HA H 66 3.972 3.972 4.351 -0.379 18429 378 1 . 1 1 66 66 PRO CA C 66 64.059 64.059 62.233 1.826 18429 379 1 . 1 1 66 66 PRO CB C 66 31.377 31.377 30.871 0.506 18429 380 1 . 1 1 67 67 ASN HA H 67 4.450 4.450 4.707 -0.257 18429 381 1 . 1 1 67 67 ASN CA C 67 56.342 56.342 52.705 3.637 18429 382 1 . 1 1 67 67 ASN CB C 67 40.583 40.583 38.818 1.765 18429 383 1 . 1 1 68 68 ALA HA H 68 4.287 4.287 4.114 0.173 18429 384 1 . 1 1 68 68 ALA C C 68 180.039 180.039 178.525 1.514 18429 385 1 . 1 1 68 68 ALA CA C 68 54.958 54.958 54.002 0.956 18429 386 1 . 1 1 68 68 ALA CB C 68 18.837 18.837 18.046 0.791 18429 387 1 . 1 1 69 69 VAL N N 69 119.699 119.699 120.301 -0.602 18429 388 1 . 1 1 69 69 VAL HA H 69 3.809 3.809 3.838 -0.029 18429 389 1 . 1 1 69 69 VAL C C 69 178.578 178.578 177.526 1.052 18429 390 1 . 1 1 69 69 VAL CA C 69 65.910 65.910 65.406 0.504 18429 391 1 . 1 1 69 69 VAL CB C 69 31.321 31.321 31.517 -0.196 18429 392 1 . 1 1 69 69 VAL H H 69 7.968 7.968 8.115 -0.147 18429 393 1 . 1 1 70 70 MET N N 70 119.158 119.158 118.990 0.168 18429 394 1 . 1 1 70 70 MET HA H 70 4.411 4.411 4.068 0.343 18429 395 1 . 1 1 70 70 MET C C 70 177.858 177.858 177.602 0.256 18429 396 1 . 1 1 70 70 MET CA C 70 56.540 56.540 58.630 -2.090 18429 397 1 . 1 1 70 70 MET CB C 70 31.927 31.927 32.210 -0.283 18429 398 1 . 1 1 70 70 MET H H 70 8.195 8.195 8.123 0.072 18429 399 1 . 1 1 71 71 GLU N N 71 119.109 119.109 119.020 0.089 18429 400 1 . 1 1 71 71 GLU HA H 71 3.522 3.522 3.429 0.093 18429 401 1 . 1 1 71 71 GLU C C 71 178.949 178.949 178.563 0.386 18429 402 1 . 1 1 71 71 GLU CA C 71 59.801 59.801 59.517 0.284 18429 403 1 . 1 1 71 71 GLU CB C 71 29.687 29.687 29.148 0.539 18429 404 1 . 1 1 71 71 GLU H H 71 8.122 8.122 7.882 0.240 18429 405 1 . 1 1 72 72 GLN N N 72 118.471 118.471 118.720 -0.249 18429 406 1 . 1 1 72 72 GLN HA H 72 4.122 4.122 4.035 0.087 18429 407 1 . 1 1 72 72 GLN C C 72 178.597 178.597 178.628 -0.031 18429 408 1 . 1 1 72 72 GLN CA C 72 58.515 58.515 58.598 -0.083 18429 409 1 . 1 1 72 72 GLN CB C 72 28.111 28.111 28.491 -0.380 18429 410 1 . 1 1 72 72 GLN H H 72 7.662 7.662 7.638 0.024 18429 411 1 . 1 1 73 73 LEU N N 73 120.880 120.880 119.778 1.102 18429 412 1 . 1 1 73 73 LEU HA H 73 4.044 4.044 4.074 -0.030 18429 413 1 . 1 1 73 73 LEU C C 73 178.992 178.992 179.031 -0.039 18429 414 1 . 1 1 73 73 LEU CA C 73 58.047 58.047 57.323 0.724 18429 415 1 . 1 1 73 73 LEU CB C 73 41.377 41.377 41.325 0.052 18429 416 1 . 1 1 73 73 LEU H H 73 8.170 8.170 7.814 0.356 18429 417 1 . 1 1 74 74 LEU N N 74 119.628 119.628 120.042 -0.414 18429 418 1 . 1 1 74 74 LEU HA H 74 3.952 3.952 3.865 0.087 18429 419 1 . 1 1 74 74 LEU C C 74 179.088 179.088 178.937 0.151 18429 420 1 . 1 1 74 74 LEU CA C 74 57.774 57.774 58.172 -0.398 18429 421 1 . 1 1 74 74 LEU CB C 74 41.067 41.067 41.121 -0.054 18429 422 1 . 1 1 74 74 LEU H H 74 8.396 8.396 7.573 0.823 18429 423 1 . 1 1 75 75 GLU N N 75 119.588 119.588 118.888 0.700 18429 424 1 . 1 1 75 75 GLU HA H 75 4.045 4.045 3.915 0.130 18429 425 1 . 1 1 75 75 GLU C C 75 179.772 179.772 178.829 0.943 18429 426 1 . 1 1 75 75 GLU CA C 75 59.261 59.261 59.510 -0.249 18429 427 1 . 1 1 75 75 GLU CB C 75 28.867 28.867 29.359 -0.492 18429 428 1 . 1 1 75 75 GLU H H 75 7.622 7.622 7.876 -0.254 18429 429 1 . 1 1 76 76 GLU N N 76 118.750 118.750 119.049 -0.299 18429 430 1 . 1 1 76 76 GLU HA H 76 4.089 4.089 4.088 0.001 18429 431 1 . 1 1 76 76 GLU C C 76 180.103 180.103 179.249 0.854 18429 432 1 . 1 1 76 76 GLU CA C 76 59.109 59.109 58.962 0.147 18429 433 1 . 1 1 76 76 GLU CB C 76 29.365 29.365 29.325 0.040 18429 434 1 . 1 1 76 76 GLU H H 76 8.127 8.127 7.809 0.318 18429 435 1 . 1 1 77 77 ILE N N 77 121.044 121.044 119.690 1.354 18429 436 1 . 1 1 77 77 ILE HA H 77 3.824 3.824 3.709 0.115 18429 437 1 . 1 1 77 77 ILE C C 77 177.219 177.219 177.895 -0.676 18429 438 1 . 1 1 77 77 ILE CA C 77 64.546 64.546 65.291 -0.745 18429 439 1 . 1 1 77 77 ILE CB C 77 37.147 37.147 37.780 -0.633 18429 440 1 . 1 1 77 77 ILE H H 77 8.715 8.715 7.797 0.918 18429 441 1 . 1 1 78 78 GLU N N 78 121.847 121.847 120.453 1.394 18429 442 1 . 1 1 78 78 GLU HA H 78 4.042 4.042 3.950 0.092 18429 443 1 . 1 1 78 78 GLU C C 78 179.644 179.644 178.861 0.783 18429 444 1 . 1 1 78 78 GLU CA C 78 59.486 59.486 59.841 -0.355 18429 445 1 . 1 1 78 78 GLU CB C 78 28.986 28.986 29.327 -0.341 18429 446 1 . 1 1 78 78 GLU H H 78 8.161 8.161 7.905 0.256 18429 447 1 . 1 1 79 79 LYS N N 79 118.842 118.842 118.928 -0.086 18429 448 1 . 1 1 79 79 LYS HA H 79 3.962 3.962 4.073 -0.111 18429 449 1 . 1 1 79 79 LYS C C 79 179.729 179.729 179.264 0.465 18429 450 1 . 1 1 79 79 LYS CA C 79 59.741 59.741 58.886 0.855 18429 451 1 . 1 1 79 79 LYS CB C 79 32.430 32.430 32.056 0.374 18429 452 1 . 1 1 79 79 LYS H H 79 7.756 7.756 7.792 -0.036 18429 453 1 . 1 1 80 80 LEU N N 80 120.440 120.440 120.147 0.293 18429 454 1 . 1 1 80 80 LEU HA H 80 4.053 4.053 4.141 -0.088 18429 455 1 . 1 1 80 80 LEU C C 80 178.939 178.939 178.954 -0.015 18429 456 1 . 1 1 80 80 LEU CA C 80 57.955 57.955 57.365 0.590 18429 457 1 . 1 1 80 80 LEU CB C 80 41.676 41.676 41.485 0.191 18429 458 1 . 1 1 80 80 LEU H H 80 7.805 7.805 7.630 0.175 18429 459 1 . 1 1 81 81 LEU N N 81 119.519 119.519 120.010 -0.491 18429 460 1 . 1 1 81 81 LEU HA H 81 3.955 3.955 3.955 -0.000 18429 461 1 . 1 1 81 81 LEU C C 81 179.366 179.366 178.637 0.729 18429 462 1 . 1 1 81 81 LEU CA C 81 57.776 57.776 57.951 -0.175 18429 463 1 . 1 1 81 81 LEU CB C 81 41.617 41.617 41.462 0.155 18429 464 1 . 1 1 81 81 LEU H H 81 8.423 8.423 8.081 0.342 18429 465 1 . 1 1 82 82 LYS N N 82 119.070 119.070 118.121 0.948 18429 466 1 . 1 1 82 82 LYS HA H 82 4.131 4.131 4.011 0.120 18429 467 1 . 1 1 82 82 LYS C C 82 179.237 179.237 178.610 0.627 18429 468 1 . 1 1 82 82 LYS CA C 82 58.872 58.872 58.885 -0.013 18429 469 1 . 1 1 82 82 LYS CB C 82 32.212 32.212 32.274 -0.062 18429 470 1 . 1 1 82 82 LYS H H 82 7.804 7.804 7.754 0.050 18429 471 1 . 1 1 83 83 LYS N N 83 119.647 119.647 117.770 1.877 18429 472 1 . 1 1 83 83 LYS HA H 83 4.241 4.241 4.147 0.094 18429 473 1 . 1 1 83 83 LYS C C 83 178.234 178.234 177.707 0.527 18429 474 1 . 1 1 83 83 LYS CA C 83 57.328 57.328 57.943 -0.615 18429 475 1 . 1 1 83 83 LYS CB C 83 32.189 32.189 32.716 -0.527 18429 476 1 . 1 1 83 83 LYS H H 83 7.737 7.737 7.683 0.054 18429 477 1 . 1 1 84 84 ALA N N 84 122.121 122.121 120.675 1.446 18429 478 1 . 1 1 84 84 ALA HA H 84 4.070 4.070 4.359 -0.289 18429 479 1 . 1 1 84 84 ALA C C 84 179.003 179.003 177.599 1.405 18429 480 1 . 1 1 84 84 ALA CA C 84 53.922 53.922 52.418 1.504 18429 481 1 . 1 1 84 84 ALA CB C 84 18.175 18.175 19.137 -0.962 18429 482 1 . 1 1 84 84 ALA H H 84 8.259 8.259 7.744 0.515 18429 483 1 . 1 1 85 85 GLY N N 85 105.518 105.518 108.459 -2.941 18429 484 1 . 1 1 85 85 GLY C C 85 174.759 174.759 173.726 1.033 18429 485 1 . 1 1 85 85 GLY CA C 85 45.737 45.737 44.997 0.739 18429 486 1 . 1 1 85 85 GLY H H 85 8.191 8.191 7.968 0.223 18429 487 1 . 1 1 86 86 SER N N 86 114.680 114.680 116.696 -2.016 18429 488 1 . 1 1 86 86 SER HA H 86 4.512 4.512 4.394 0.118 18429 489 1 . 1 1 86 86 SER C C 86 174.452 174.452 174.670 -0.217 18429 490 1 . 1 1 86 86 SER CA C 86 58.641 58.641 58.522 0.119 18429 491 1 . 1 1 86 86 SER CB C 86 63.751 63.751 63.778 -0.027 18429 492 1 . 1 1 86 86 SER H H 86 7.884 7.884 8.193 -0.309 18429 493 1 . 1 1 87 87 LEU N N 87 122.300 122.300 121.524 0.776 18429 494 1 . 1 1 87 87 LEU HA H 87 4.332 4.332 4.170 0.162 18429 495 1 . 1 1 87 87 LEU C C 87 176.845 176.845 176.152 0.693 18429 496 1 . 1 1 87 87 LEU CA C 87 54.992 54.992 55.603 -0.611 18429 497 1 . 1 1 87 87 LEU CB C 87 41.924 41.924 41.076 0.848 18429 498 1 . 1 1 87 87 LEU H H 87 7.806 7.806 8.372 -0.566 18429 499 1 . 1 1 88 88 VAL N N 88 120.869 120.869 118.320 2.549 18429 500 1 . 1 1 88 88 VAL HA H 88 4.387 4.387 4.279 0.108 18429 501 1 . 1 1 88 88 VAL C C 88 174.367 174.367 174.906 -0.539 18429 502 1 . 1 1 88 88 VAL CA C 88 59.756 59.756 60.438 -0.682 18429 503 1 . 1 1 88 88 VAL CB C 88 32.378 32.378 32.028 0.350 18429 504 1 . 1 1 88 88 VAL H H 88 7.849 7.849 7.687 0.162 18429 505 1 . 1 1 89 89 PRO HA H 89 4.412 4.412 4.564 -0.151 18429 506 1 . 1 1 89 89 PRO C C 89 176.898 176.898 176.425 0.473 18429 507 1 . 1 1 89 89 PRO CA C 89 62.929 62.929 62.903 0.026 18429 508 1 . 1 1 89 89 PRO CB C 89 31.926 31.926 31.834 0.092 18429 509 1 . 1 1 90 90 ARG N N 90 121.893 121.893 120.675 1.218 18429 510 1 . 1 1 90 90 ARG HA H 90 4.291 4.291 4.283 0.008 18429 511 1 . 1 1 90 90 ARG C C 90 177.081 177.081 176.368 0.713 18429 512 1 . 1 1 90 90 ARG CA C 90 56.325 56.325 56.277 0.048 18429 513 1 . 1 1 90 90 ARG CB C 90 30.554 30.554 30.279 0.275 18429 514 1 . 1 1 90 90 ARG H H 90 8.528 8.528 8.221 0.307 18429 515 1 . 1 1 91 91 GLY N N 91 109.932 109.932 110.131 -0.199 18429 516 1 . 1 1 91 91 GLY C C 91 174.324 174.324 174.034 0.290 18429 517 1 . 1 1 91 91 GLY CA C 91 45.293 45.293 44.864 0.429 18429 518 1 . 1 1 91 91 GLY H H 91 8.551 8.551 8.398 0.153 18429 519 1 . 1 1 92 92 SER N N 92 115.612 115.612 116.225 -0.613 18429 520 1 . 1 1 92 92 SER HA H 92 4.407 4.407 4.380 0.027 18429 521 1 . 1 1 92 92 SER C C 92 174.463 174.463 174.026 0.437 18429 522 1 . 1 1 92 92 SER CA C 92 58.310 58.310 58.338 -0.028 18429 523 1 . 1 1 92 92 SER CB C 92 63.616 63.616 63.796 -0.180 18429 524 1 . 1 1 92 92 SER H H 92 8.183 8.183 8.020 0.163 18429 525 1 . 1 1 93 93 TYR N N 93 122.140 122.140 122.599 -0.459 18429 526 1 . 1 1 93 93 TYR HA H 93 4.506 4.506 4.542 -0.036 18429 527 1 . 1 1 93 93 TYR C C 93 175.659 175.659 175.189 0.470 18429 528 1 . 1 1 93 93 TYR CA C 93 58.105 58.105 58.054 0.051 18429 529 1 . 1 1 93 93 TYR CB C 93 38.291 38.291 38.701 -0.410 18429 530 1 . 1 1 93 93 TYR H H 93 8.206 8.206 8.143 0.063 18429 531 1 . 1 1 94 94 LEU N N 94 123.025 123.025 124.599 -1.574 18429 532 1 . 1 1 94 94 LEU HA H 94 4.199 4.199 4.362 -0.163 18429 533 1 . 1 1 94 94 LEU C C 94 177.037 177.037 176.423 0.614 18429 534 1 . 1 1 94 94 LEU CA C 94 54.945 54.945 54.896 0.049 18429 535 1 . 1 1 94 94 LEU CB C 94 42.166 42.166 42.389 -0.223 18429 536 1 . 1 1 94 94 LEU H H 94 8.007 8.007 8.226 -0.219 18429 537 1 . 1 1 95 95 GLU N N 95 120.848 120.848 122.886 -2.038 18429 538 1 . 1 1 95 95 GLU HA H 95 4.116 4.116 4.257 -0.141 18429 539 1 . 1 1 95 95 GLU C C 95 176.268 176.268 175.752 0.516 18429 540 1 . 1 1 95 95 GLU CA C 95 56.713 56.713 56.573 0.140 18429 541 1 . 1 1 95 95 GLU CB C 95 30.046 30.046 30.021 0.025 18429 542 1 . 1 1 95 95 GLU H H 95 8.141 8.141 8.517 -0.376 18429 543 1 . 1 1 96 96 HIS N N 96 119.288 119.288 121.601 -2.313 18429 544 1 . 1 1 96 96 HIS HA H 96 4.570 4.570 4.638 -0.068 18429 545 1 . 1 1 96 96 HIS C C 96 174.100 174.100 174.670 -0.570 18429 546 1 . 1 1 96 96 HIS CA C 96 55.839 55.839 56.021 -0.182 18429 547 1 . 1 1 96 96 HIS CB C 96 30.404 30.404 29.889 0.515 18429 548 1 . 1 1 96 96 HIS H H 96 8.144 8.144 8.489 -0.345 18429 549 1 . 1 1 97 97 HIS N N 97 125.622 125.622 120.325 5.297 18429 550 1 . 1 1 97 97 HIS C C 97 179.480 179.480 174.648 4.832 18429 551 1 . 1 1 97 97 HIS CA C 97 57.447 57.447 56.100 1.347 18429 552 1 . 1 1 97 97 HIS CB C 97 30.754 30.754 29.683 1.070 18429 553 1 . 1 1 97 97 HIS H H 97 8.017 8.017 8.262 -0.245 18429 stop_ save_