data_18944 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18944 _Entry.PDB_ID 2M34 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 18944 _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 3 3 PRO HA H 3 4.440 4.440 4.553 -0.113 18944 2 1 1 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.064 0.237 18944 3 1 1 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.366 -0.496 18944 4 1 1 . 1 1 4 4 GLY N N 4 109.613 109.613 108.238 1.375 18944 5 1 1 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.731 0.513 18944 6 1 1 . 1 1 4 4 GLY H H 4 8.536 8.536 8.240 0.296 18944 7 1 1 . 1 1 5 5 GLY N N 5 108.797 108.797 106.293 2.504 18944 8 1 1 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.572 0.680 18944 9 1 1 . 1 1 5 5 GLY H H 5 8.298 8.298 8.241 0.057 18944 10 1 1 . 1 1 6 6 LYS N N 6 120.988 120.988 119.905 1.083 18944 11 1 1 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.393 -0.446 18944 12 1 1 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.631 0.627 18944 13 1 1 . 1 1 6 6 LYS CB C 6 32.910 32.910 34.514 -1.605 18944 14 1 1 . 1 1 6 6 LYS H H 6 8.313 8.313 8.308 0.005 18944 15 1 1 . 1 1 7 7 SER N N 7 116.912 116.912 118.013 -1.101 18944 16 1 1 . 1 1 7 7 SER HA H 7 4.420 4.420 5.143 -0.723 18944 17 1 1 . 1 1 7 7 SER CA C 7 58.338 58.338 57.073 1.265 18944 18 1 1 . 1 1 7 7 SER CB C 7 63.540 63.540 65.454 -1.913 18944 19 1 1 . 1 1 7 7 SER H H 7 8.345 8.345 8.491 -0.146 18944 20 1 1 . 1 1 8 8 ARG N N 8 123.496 123.496 120.030 3.466 18944 21 1 1 . 1 1 8 8 ARG HA H 8 4.339 4.339 3.942 0.397 18944 22 1 1 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.742 -1.704 18944 23 1 1 . 1 1 8 8 ARG CB C 8 30.596 30.596 29.778 0.818 18944 24 1 1 . 1 1 8 8 ARG H H 8 8.410 8.410 8.826 -0.416 18944 25 1 1 . 1 1 9 9 ARG N N 9 122.569 122.569 118.888 3.681 18944 26 1 1 . 1 1 9 9 ARG HA H 9 4.308 4.308 3.977 0.331 18944 27 1 1 . 1 1 9 9 ARG CA C 9 55.979 55.979 57.889 -1.910 18944 28 1 1 . 1 1 9 9 ARG CB C 9 30.700 30.700 28.760 1.940 18944 29 1 1 . 1 1 9 9 ARG H H 9 8.340 8.340 8.723 -0.383 18944 30 1 1 . 1 1 10 10 ARG N N 10 123.464 123.464 118.254 5.210 18944 31 1 1 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.067 0.261 18944 32 1 1 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.904 -1.978 18944 33 1 1 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.086 2.735 18944 34 1 1 . 1 1 10 10 ARG H H 10 8.457 8.457 8.170 0.287 18944 35 1 1 . 1 1 11 11 ARG N N 11 123.477 123.477 116.839 6.638 18944 36 1 1 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.541 -0.152 18944 37 1 1 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.850 0.119 18944 38 1 1 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.369 -0.530 18944 39 1 1 . 1 1 11 11 ARG H H 11 8.540 8.540 8.329 0.211 18944 40 1 1 . 1 1 12 12 THR N N 12 116.338 116.338 113.557 2.781 18944 41 1 1 . 1 1 12 12 THR HA H 12 4.289 4.289 4.635 -0.346 18944 42 1 1 . 1 1 12 12 THR CA C 12 61.393 61.393 60.673 0.720 18944 43 1 1 . 1 1 12 12 THR CB C 12 69.660 69.660 70.501 -0.841 18944 44 1 1 . 1 1 12 12 THR H H 12 8.249 8.249 7.380 0.869 18944 45 1 1 . 1 1 13 13 ALA N N 13 127.182 127.182 123.347 3.835 18944 46 1 1 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.040 0.265 18944 47 1 1 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.791 -1.767 18944 48 1 1 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.030 0.624 18944 49 1 1 . 1 1 13 13 ALA H H 13 8.275 8.275 8.401 -0.126 18944 50 1 1 . 1 1 14 14 PHE N N 14 118.661 118.661 113.799 4.862 18944 51 1 1 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.101 -0.138 18944 52 1 1 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.873 0.385 18944 53 1 1 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.667 -0.948 18944 54 1 1 . 1 1 14 14 PHE H H 14 8.060 8.060 7.594 0.466 18944 55 1 1 . 1 1 15 15 THR N N 15 113.672 113.672 113.579 0.093 18944 56 1 1 . 1 1 15 15 THR HA H 15 4.522 4.522 4.788 -0.266 18944 57 1 1 . 1 1 15 15 THR CA C 15 60.272 60.272 60.321 -0.049 18944 58 1 1 . 1 1 15 15 THR CB C 15 70.919 70.919 71.049 -0.130 18944 59 1 1 . 1 1 15 15 THR H H 15 9.139 9.139 8.997 0.142 18944 60 1 1 . 1 1 16 16 SER N N 16 116.722 116.722 116.880 -0.158 18944 61 1 1 . 1 1 16 16 SER HA H 16 3.934 3.934 4.350 -0.416 18944 62 1 1 . 1 1 16 16 SER CA C 16 62.071 62.071 62.280 -0.209 18944 63 1 1 . 1 1 16 16 SER CB C 16 61.814 61.814 62.914 -1.100 18944 64 1 1 . 1 1 16 16 SER H H 16 9.094 9.094 8.663 0.431 18944 65 1 1 . 1 1 17 17 GLU N N 17 120.784 120.784 122.017 -1.233 18944 66 1 1 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.922 0.100 18944 67 1 1 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.346 0.780 18944 68 1 1 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.398 -0.290 18944 69 1 1 . 1 1 17 17 GLU H H 17 8.673 8.673 7.728 0.945 18944 70 1 1 . 1 1 18 18 GLN N N 18 118.707 118.707 118.362 0.345 18944 71 1 1 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.938 -0.129 18944 72 1 1 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.964 -0.003 18944 73 1 1 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.830 -0.850 18944 74 1 1 . 1 1 18 18 GLN H H 18 7.748 7.748 7.747 0.001 18944 75 1 1 . 1 1 19 19 LEU N N 19 117.129 117.129 119.015 -1.886 18944 76 1 1 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.812 -0.183 18944 77 1 1 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.004 0.791 18944 78 1 1 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.864 -0.253 18944 79 1 1 . 1 1 19 19 LEU H H 19 8.109 8.109 7.825 0.284 18944 80 1 1 . 1 1 20 20 LEU N N 20 119.459 119.459 121.131 -1.672 18944 81 1 1 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.968 0.034 18944 82 1 1 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.166 -0.163 18944 83 1 1 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.046 -0.088 18944 84 1 1 . 1 1 20 20 LEU H H 20 7.948 7.948 8.117 -0.169 18944 85 1 1 . 1 1 21 21 GLU N N 21 118.593 118.593 118.976 -0.383 18944 86 1 1 . 1 1 21 21 GLU HA H 21 4.086 4.086 3.991 0.095 18944 87 1 1 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.502 -1.073 18944 88 1 1 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.330 0.342 18944 89 1 1 . 1 1 21 21 GLU H H 21 7.564 7.564 8.082 -0.518 18944 90 1 1 . 1 1 22 22 LEU N N 22 122.405 122.405 119.475 2.930 18944 91 1 1 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.941 -0.425 18944 92 1 1 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.762 0.467 18944 93 1 1 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.738 -2.742 18944 94 1 1 . 1 1 22 22 LEU H H 22 8.148 8.148 7.420 0.728 18944 95 1 1 . 1 1 23 23 GLU N N 23 118.202 118.202 117.546 0.656 18944 96 1 1 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.138 0.144 18944 97 1 1 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.860 -0.044 18944 98 1 1 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.236 -0.282 18944 99 1 1 . 1 1 23 23 GLU H H 23 7.853 7.853 7.557 0.296 18944 100 1 1 . 1 1 24 24 LYS N N 24 120.955 120.955 119.481 1.474 18944 101 1 1 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.029 -0.003 18944 102 1 1 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.437 0.417 18944 103 1 1 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.565 -0.275 18944 104 1 1 . 1 1 24 24 LYS H H 24 7.828 7.828 7.579 0.249 18944 105 1 1 . 1 1 25 25 GLU N N 25 120.791 120.791 118.829 1.962 18944 106 1 1 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.321 -0.062 18944 107 1 1 . 1 1 25 25 GLU CA C 25 58.720 58.720 57.932 0.788 18944 108 1 1 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.695 -1.120 18944 109 1 1 . 1 1 25 25 GLU H H 25 8.153 8.153 8.161 -0.008 18944 110 1 1 . 1 1 26 26 PHE N N 26 115.094 115.094 120.619 -5.525 18944 111 1 1 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.747 -0.255 18944 112 1 1 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.090 -1.644 18944 113 1 1 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.797 3.025 18944 114 1 1 . 1 1 26 26 PHE H H 26 7.404 7.404 7.916 -0.512 18944 115 1 1 . 1 1 27 27 HIS N N 27 115.592 115.592 118.946 -3.354 18944 116 1 1 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.143 -0.090 18944 117 1 1 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.082 -1.592 18944 118 1 1 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.492 -1.662 18944 119 1 1 . 1 1 27 27 HIS H H 27 8.057 8.057 7.998 0.059 18944 120 1 1 . 1 1 28 28 CYS N N 28 116.364 116.364 115.028 1.336 18944 121 1 1 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.282 -0.257 18944 122 1 1 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.008 -1.385 18944 123 1 1 . 1 1 28 28 CYS CB C 28 29.921 29.921 29.009 0.912 18944 124 1 1 . 1 1 28 28 CYS H H 28 7.972 7.972 7.877 0.095 18944 125 1 1 . 1 1 29 29 LYS N N 29 122.054 122.054 121.334 0.720 18944 126 1 1 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.242 0.058 18944 127 1 1 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.444 0.797 18944 128 1 1 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.599 2.590 18944 129 1 1 . 1 1 29 29 LYS H H 29 8.521 8.521 7.705 0.816 18944 130 1 1 . 1 1 30 30 LYS N N 30 118.250 118.250 121.253 -3.003 18944 131 1 1 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.772 -0.069 18944 132 1 1 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.667 -0.850 18944 133 1 1 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.654 -0.200 18944 134 1 1 . 1 1 30 30 LYS H H 30 7.830 7.830 8.650 -0.820 18944 135 1 1 . 1 1 31 31 TYR N N 31 112.854 112.854 118.657 -5.803 18944 136 1 1 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.742 -0.262 18944 137 1 1 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.828 -0.456 18944 138 1 1 . 1 1 31 31 TYR CB C 31 41.159 41.159 40.214 0.945 18944 139 1 1 . 1 1 31 31 TYR H H 31 7.294 7.294 7.706 -0.412 18944 140 1 1 . 1 1 32 32 LEU N N 32 122.615 122.615 125.814 -3.199 18944 141 1 1 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.384 0.326 18944 142 1 1 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.881 -1.979 18944 143 1 1 . 1 1 32 32 LEU CB C 32 44.626 44.626 42.306 2.320 18944 144 1 1 . 1 1 32 32 LEU H H 32 8.426 8.426 8.348 0.078 18944 145 1 1 . 1 1 33 33 SER N N 33 119.224 119.224 116.998 2.226 18944 146 1 1 . 1 1 33 33 SER HA H 33 4.583 4.583 4.502 0.081 18944 147 1 1 . 1 1 33 33 SER CA C 33 56.483 56.483 57.501 -1.018 18944 148 1 1 . 1 1 33 33 SER CB C 33 65.258 65.258 65.099 0.159 18944 149 1 1 . 1 1 33 33 SER H H 33 9.322 9.322 9.023 0.299 18944 150 1 1 . 1 1 34 34 LEU N N 34 121.601 121.601 122.059 -0.458 18944 151 1 1 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.016 -0.039 18944 152 1 1 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.486 0.385 18944 153 1 1 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.956 -0.593 18944 154 1 1 . 1 1 34 34 LEU H H 34 8.808 8.808 8.721 0.087 18944 155 1 1 . 1 1 35 35 THR N N 35 113.816 113.816 114.020 -0.204 18944 156 1 1 . 1 1 35 35 THR HA H 35 3.944 3.944 3.958 -0.014 18944 157 1 1 . 1 1 35 35 THR CA C 35 65.721 65.721 67.238 -1.517 18944 158 1 1 . 1 1 35 35 THR CB C 35 68.367 68.367 68.184 0.183 18944 159 1 1 . 1 1 35 35 THR H H 35 8.104 8.104 8.384 -0.280 18944 160 1 1 . 1 1 36 36 GLU N N 36 123.125 123.125 121.841 1.284 18944 161 1 1 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.993 -0.016 18944 162 1 1 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.921 -1.043 18944 163 1 1 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.229 1.178 18944 164 1 1 . 1 1 36 36 GLU H H 36 7.691 7.691 8.519 -0.828 18944 165 1 1 . 1 1 37 37 ARG N N 37 119.258 119.258 119.747 -0.489 18944 166 1 1 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.903 -0.147 18944 167 1 1 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.403 0.618 18944 168 1 1 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.224 0.631 18944 169 1 1 . 1 1 37 37 ARG H H 37 8.726 8.726 8.417 0.309 18944 170 1 1 . 1 1 38 38 SER N N 38 113.573 113.573 114.645 -1.072 18944 171 1 1 . 1 1 38 38 SER HA H 38 4.073 4.073 4.111 -0.038 18944 172 1 1 . 1 1 38 38 SER CA C 38 61.865 61.865 61.612 0.253 18944 173 1 1 . 1 1 38 38 SER CB C 38 62.685 62.685 62.896 -0.211 18944 174 1 1 . 1 1 38 38 SER H H 38 8.039 8.039 8.121 -0.082 18944 175 1 1 . 1 1 39 39 GLN N N 39 121.912 121.912 120.791 1.121 18944 176 1 1 . 1 1 39 39 GLN HA H 39 4.115 4.115 4.065 0.050 18944 177 1 1 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.200 -0.116 18944 178 1 1 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.734 -0.567 18944 179 1 1 . 1 1 39 39 GLN H H 39 8.033 8.033 8.306 -0.273 18944 180 1 1 . 1 1 40 40 ILE N N 40 121.716 121.716 119.816 1.900 18944 181 1 1 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.648 0.231 18944 182 1 1 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.859 -0.498 18944 183 1 1 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.547 0.582 18944 184 1 1 . 1 1 40 40 ILE H H 40 8.205 8.205 8.407 -0.202 18944 185 1 1 . 1 1 41 41 ALA N N 41 122.005 122.005 122.463 -0.458 18944 186 1 1 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.863 -0.200 18944 187 1 1 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.238 0.709 18944 188 1 1 . 1 1 41 41 ALA CB C 41 17.516 17.516 17.992 -0.476 18944 189 1 1 . 1 1 41 41 ALA H H 41 8.301 8.301 8.040 0.261 18944 190 1 1 . 1 1 42 42 HIS N N 42 114.193 114.193 118.130 -3.937 18944 191 1 1 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.228 0.166 18944 192 1 1 . 1 1 42 42 HIS CA C 42 58.649 58.649 60.105 -1.456 18944 193 1 1 . 1 1 42 42 HIS CB C 42 28.871 28.871 29.863 -0.992 18944 194 1 1 . 1 1 42 42 HIS H H 42 8.091 8.091 7.840 0.251 18944 195 1 1 . 1 1 43 43 ALA N N 43 122.121 122.121 123.131 -1.010 18944 196 1 1 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.067 -0.001 18944 197 1 1 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.923 -0.067 18944 198 1 1 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.774 -0.457 18944 199 1 1 . 1 1 43 43 ALA H H 43 8.167 8.167 7.802 0.365 18944 200 1 1 . 1 1 44 44 LEU N N 44 114.117 114.117 115.427 -1.310 18944 201 1 1 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.223 0.104 18944 202 1 1 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.554 -0.383 18944 203 1 1 . 1 1 44 44 LEU CB C 44 42.472 42.472 41.361 1.111 18944 204 1 1 . 1 1 44 44 LEU H H 44 8.037 8.037 7.873 0.164 18944 205 1 1 . 1 1 45 45 LYS N N 45 117.081 117.081 113.785 3.296 18944 206 1 1 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.820 0.128 18944 207 1 1 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.552 -0.338 18944 208 1 1 . 1 1 45 45 LYS CB C 45 28.359 28.359 29.440 -1.081 18944 209 1 1 . 1 1 45 45 LYS H H 45 7.806 7.806 7.435 0.371 18944 210 1 1 . 1 1 46 46 LEU N N 46 119.781 119.781 117.990 1.791 18944 211 1 1 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.456 0.323 18944 212 1 1 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.467 -1.092 18944 213 1 1 . 1 1 46 46 LEU CB C 46 47.430 47.430 44.163 3.267 18944 214 1 1 . 1 1 46 46 LEU H H 46 8.393 8.393 7.571 0.822 18944 215 1 1 . 1 1 47 47 SER N N 47 114.982 114.982 113.086 1.896 18944 216 1 1 . 1 1 47 47 SER HA H 47 4.772 4.772 4.671 0.101 18944 217 1 1 . 1 1 47 47 SER CA C 47 56.659 56.659 56.707 -0.048 18944 218 1 1 . 1 1 47 47 SER CB C 47 64.905 64.905 66.474 -1.569 18944 219 1 1 . 1 1 47 47 SER H H 47 8.817 8.817 8.009 0.808 18944 220 1 1 . 1 1 48 48 GLU N N 48 122.917 122.917 122.432 0.485 18944 221 1 1 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.059 -0.396 18944 222 1 1 . 1 1 48 48 GLU CA C 48 61.142 61.142 59.827 1.315 18944 223 1 1 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.504 -0.511 18944 224 1 1 . 1 1 48 48 GLU H H 48 9.232 9.232 8.962 0.270 18944 225 1 1 . 1 1 49 49 VAL N N 49 118.250 118.250 120.228 -1.978 18944 226 1 1 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.714 0.056 18944 227 1 1 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.610 -0.917 18944 228 1 1 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.420 0.400 18944 229 1 1 . 1 1 49 49 VAL H H 49 8.015 8.015 8.052 -0.037 18944 230 1 1 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.096 0.059 18944 231 1 1 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.446 -0.205 18944 232 1 1 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.407 1.110 18944 233 1 1 . 1 1 50 50 GLN H H 50 7.714 7.714 7.704 0.010 18944 234 1 1 . 1 1 51 51 VAL N N 51 119.155 119.155 120.427 -1.272 18944 235 1 1 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.815 -0.122 18944 236 1 1 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.814 0.590 18944 237 1 1 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.462 0.731 18944 238 1 1 . 1 1 51 51 VAL H H 51 7.705 7.705 8.733 -1.028 18944 239 1 1 . 1 1 52 52 LYS N N 52 121.165 121.165 121.072 0.093 18944 240 1 1 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.054 0.219 18944 241 1 1 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.683 0.163 18944 242 1 1 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.245 0.950 18944 243 1 1 . 1 1 52 52 LYS H H 52 8.545 8.545 7.805 0.740 18944 244 1 1 . 1 1 53 53 ILE N N 53 120.436 120.436 119.125 1.311 18944 245 1 1 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.754 0.075 18944 246 1 1 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.101 -0.870 18944 247 1 1 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.806 0.172 18944 248 1 1 . 1 1 53 53 ILE H H 53 8.733 8.733 8.433 0.300 18944 249 1 1 . 1 1 54 54 TRP N N 54 122.076 122.076 121.841 0.235 18944 250 1 1 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.123 -0.109 18944 251 1 1 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.971 1.431 18944 252 1 1 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.680 -0.823 18944 253 1 1 . 1 1 54 54 TRP H H 54 8.522 8.522 8.377 0.145 18944 254 1 1 . 1 1 55 55 PHE N N 55 119.314 119.314 117.935 1.379 18944 255 1 1 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.932 -0.214 18944 256 1 1 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.535 0.838 18944 257 1 1 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.636 0.689 18944 258 1 1 . 1 1 55 55 PHE H H 55 9.087 9.087 9.119 -0.032 18944 259 1 1 . 1 1 56 56 GLN N N 56 119.067 119.067 118.091 0.976 18944 260 1 1 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.821 0.174 18944 261 1 1 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.793 -0.315 18944 262 1 1 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.311 0.217 18944 263 1 1 . 1 1 56 56 GLN H H 56 8.148 8.148 8.888 -0.740 18944 264 1 1 . 1 1 57 57 ASN N N 57 119.662 119.662 118.378 1.284 18944 265 1 1 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.322 0.032 18944 266 1 1 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.225 -0.908 18944 267 1 1 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.172 -0.447 18944 268 1 1 . 1 1 57 57 ASN H H 57 8.396 8.396 7.852 0.544 18944 269 1 1 . 1 1 58 58 ARG N N 58 124.411 124.411 119.993 4.418 18944 270 1 1 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.592 -0.084 18944 271 1 1 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.074 -1.929 18944 272 1 1 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.120 -1.163 18944 273 1 1 . 1 1 58 58 ARG H H 58 8.454 8.454 7.573 0.881 18944 274 1 1 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.047 0.307 18944 275 1 1 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.049 1.410 18944 276 1 1 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.213 1.805 18944 277 1 1 . 1 1 60 60 ALA N N 60 121.683 121.683 121.650 0.033 18944 278 1 1 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.113 0.082 18944 279 1 1 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.067 -0.121 18944 280 1 1 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.039 -0.368 18944 281 1 1 . 1 1 60 60 ALA H H 60 7.524 7.524 8.156 -0.632 18944 282 1 1 . 1 1 61 61 LYS N N 61 118.243 118.243 119.599 -1.356 18944 283 1 1 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.958 0.068 18944 284 1 1 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.161 -0.557 18944 285 1 1 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.367 0.360 18944 286 1 1 . 1 1 61 61 LYS H H 61 7.352 7.352 7.356 -0.004 18944 287 1 1 . 1 1 62 62 TRP N N 62 121.102 121.102 120.076 1.026 18944 288 1 1 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.286 0.357 18944 289 1 1 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.973 -2.050 18944 290 1 1 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.398 0.188 18944 291 1 1 . 1 1 62 62 TRP H H 62 7.934 7.934 7.728 0.206 18944 292 1 1 . 1 1 63 63 LYS N N 63 118.454 118.454 117.682 0.772 18944 293 1 1 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.417 0.240 18944 294 1 1 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.605 -1.897 18944 295 1 1 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.833 0.840 18944 296 1 1 . 1 1 63 63 LYS H H 63 8.328 8.328 7.958 0.370 18944 297 1 1 . 1 1 64 64 ARG N N 64 119.371 119.371 117.520 1.851 18944 298 1 1 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.181 -0.087 18944 299 1 1 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.295 0.280 18944 300 1 1 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.747 0.295 18944 301 1 1 . 1 1 64 64 ARG H H 64 7.605 7.605 7.687 -0.082 18944 302 1 1 . 1 1 65 65 ILE N N 65 120.717 120.717 120.252 0.465 18944 303 1 1 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.838 0.156 18944 304 1 1 . 1 1 65 65 ILE CA C 65 62.122 62.122 64.216 -2.094 18944 305 1 1 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.271 -0.071 18944 306 1 1 . 1 1 65 65 ILE H H 65 7.933 7.933 7.129 0.804 18944 307 1 1 . 1 1 66 66 LYS N N 66 123.684 123.684 118.976 4.708 18944 308 1 1 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.044 0.096 18944 309 1 1 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.763 -2.072 18944 310 1 1 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.568 -0.212 18944 311 1 1 . 1 1 66 66 LYS H H 66 8.180 8.180 8.142 0.038 18944 312 1 1 . 1 1 67 67 ALA N N 67 123.678 123.678 119.563 4.115 18944 313 1 1 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.506 -0.232 18944 314 1 1 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.764 0.784 18944 315 1 1 . 1 1 67 67 ALA CB C 67 19.080 19.080 19.971 -0.891 18944 316 1 1 . 1 1 67 67 ALA H H 67 7.959 7.959 7.367 0.592 18944 317 1 1 . 1 1 68 68 GLY N N 68 107.345 107.345 108.311 -0.966 18944 318 1 1 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.297 -0.023 18944 319 1 1 . 1 1 68 68 GLY H H 68 8.157 8.157 8.266 -0.109 18944 320 1 1 . 1 1 69 69 ASN N N 69 118.854 118.854 119.454 -0.600 18944 321 1 1 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.714 0.043 18944 322 1 1 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.548 -0.482 18944 323 1 1 . 1 1 69 69 ASN CB C 69 38.948 38.948 37.389 1.559 18944 324 1 1 . 1 1 69 69 ASN H H 69 8.230 8.230 8.184 0.046 18944 325 1 1 . 1 1 70 70 VAL N N 70 119.499 119.499 118.810 0.689 18944 326 1 1 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.181 0.025 18944 327 1 1 . 1 1 70 70 VAL CA C 70 62.062 62.062 61.147 0.915 18944 328 1 1 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.123 0.681 18944 329 1 1 . 1 1 70 70 VAL H H 70 8.109 8.109 7.849 0.260 18944 330 1 2 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.488 -0.048 18944 331 1 2 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.784 0.517 18944 332 1 2 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.552 -0.682 18944 333 1 2 . 1 1 4 4 GLY N N 4 109.613 109.613 106.915 2.698 18944 334 1 2 . 1 1 4 4 GLY CA C 4 45.244 45.244 43.994 1.250 18944 335 1 2 . 1 1 4 4 GLY H H 4 8.536 8.536 8.261 0.275 18944 336 1 2 . 1 1 5 5 GLY N N 5 108.797 108.797 107.457 1.340 18944 337 1 2 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.853 0.399 18944 338 1 2 . 1 1 5 5 GLY H H 5 8.298 8.298 8.345 -0.047 18944 339 1 2 . 1 1 6 6 LYS N N 6 120.988 120.988 118.829 2.159 18944 340 1 2 . 1 1 6 6 LYS HA H 6 3.947 3.947 3.974 -0.027 18944 341 1 2 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.979 0.279 18944 342 1 2 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.561 0.349 18944 343 1 2 . 1 1 6 6 LYS H H 6 8.313 8.313 8.282 0.031 18944 344 1 2 . 1 1 7 7 SER N N 7 116.912 116.912 114.903 2.009 18944 345 1 2 . 1 1 7 7 SER HA H 7 4.420 4.420 4.654 -0.234 18944 346 1 2 . 1 1 7 7 SER CA C 7 58.338 58.338 58.234 0.104 18944 347 1 2 . 1 1 7 7 SER CB C 7 63.540 63.540 64.623 -1.083 18944 348 1 2 . 1 1 7 7 SER H H 7 8.345 8.345 8.299 0.046 18944 349 1 2 . 1 1 8 8 ARG N N 8 123.496 123.496 123.750 -0.254 18944 350 1 2 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.671 -0.332 18944 351 1 2 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.706 -0.669 18944 352 1 2 . 1 1 8 8 ARG CB C 8 30.596 30.596 32.345 -1.749 18944 353 1 2 . 1 1 8 8 ARG H H 8 8.410 8.410 8.433 -0.023 18944 354 1 2 . 1 1 9 9 ARG N N 9 122.569 122.569 120.411 2.158 18944 355 1 2 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.446 -0.138 18944 356 1 2 . 1 1 9 9 ARG CA C 9 55.979 55.979 56.185 -0.206 18944 357 1 2 . 1 1 9 9 ARG CB C 9 30.700 30.700 31.810 -1.110 18944 358 1 2 . 1 1 9 9 ARG H H 9 8.340 8.340 8.759 -0.419 18944 359 1 2 . 1 1 10 10 ARG N N 10 123.464 123.464 120.067 3.397 18944 360 1 2 . 1 1 10 10 ARG HA H 10 4.328 4.328 3.987 0.341 18944 361 1 2 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.147 -1.221 18944 362 1 2 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.616 2.205 18944 363 1 2 . 1 1 10 10 ARG H H 10 8.457 8.457 8.347 0.110 18944 364 1 2 . 1 1 11 11 ARG N N 11 123.477 123.477 119.273 4.204 18944 365 1 2 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.582 -0.193 18944 366 1 2 . 1 1 11 11 ARG CA C 11 55.969 55.969 54.721 1.248 18944 367 1 2 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.503 -1.664 18944 368 1 2 . 1 1 11 11 ARG H H 11 8.540 8.540 8.082 0.458 18944 369 1 2 . 1 1 12 12 THR N N 12 116.338 116.338 114.160 2.178 18944 370 1 2 . 1 1 12 12 THR HA H 12 4.289 4.289 4.042 0.247 18944 371 1 2 . 1 1 12 12 THR CA C 12 61.393 61.393 63.163 -1.770 18944 372 1 2 . 1 1 12 12 THR CB C 12 69.660 69.660 69.361 0.299 18944 373 1 2 . 1 1 12 12 THR H H 12 8.249 8.249 8.133 0.116 18944 374 1 2 . 1 1 13 13 ALA N N 13 127.182 127.182 122.972 4.210 18944 375 1 2 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.016 0.289 18944 376 1 2 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.633 -1.609 18944 377 1 2 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.083 0.571 18944 378 1 2 . 1 1 13 13 ALA H H 13 8.275 8.275 8.394 -0.119 18944 379 1 2 . 1 1 14 14 PHE N N 14 118.661 118.661 115.667 2.994 18944 380 1 2 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.065 -0.102 18944 381 1 2 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.734 0.524 18944 382 1 2 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.177 -1.458 18944 383 1 2 . 1 1 14 14 PHE H H 14 8.060 8.060 7.666 0.394 18944 384 1 2 . 1 1 15 15 THR N N 15 113.672 113.672 114.632 -0.960 18944 385 1 2 . 1 1 15 15 THR HA H 15 4.522 4.522 4.700 -0.178 18944 386 1 2 . 1 1 15 15 THR CA C 15 60.272 60.272 60.160 0.112 18944 387 1 2 . 1 1 15 15 THR CB C 15 70.919 70.919 70.713 0.205 18944 388 1 2 . 1 1 15 15 THR H H 15 9.139 9.139 9.052 0.087 18944 389 1 2 . 1 1 16 16 SER N N 16 116.722 116.722 116.096 0.626 18944 390 1 2 . 1 1 16 16 SER HA H 16 3.934 3.934 4.089 -0.155 18944 391 1 2 . 1 1 16 16 SER CA C 16 62.071 62.071 63.229 -1.158 18944 392 1 2 . 1 1 16 16 SER CB C 16 61.814 61.814 62.788 -0.974 18944 393 1 2 . 1 1 16 16 SER H H 16 9.094 9.094 8.722 0.372 18944 394 1 2 . 1 1 17 17 GLU N N 17 120.784 120.784 120.807 -0.023 18944 395 1 2 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.022 0.000 18944 396 1 2 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.520 0.607 18944 397 1 2 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.238 -0.130 18944 398 1 2 . 1 1 17 17 GLU H H 17 8.673 8.673 8.491 0.182 18944 399 1 2 . 1 1 18 18 GLN N N 18 118.707 118.707 119.751 -1.044 18944 400 1 2 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.022 -0.213 18944 401 1 2 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.849 0.112 18944 402 1 2 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.899 -0.919 18944 403 1 2 . 1 1 18 18 GLN H H 18 7.748 7.748 7.549 0.199 18944 404 1 2 . 1 1 19 19 LEU N N 19 117.129 117.129 120.088 -2.959 18944 405 1 2 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.670 -0.041 18944 406 1 2 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.685 0.110 18944 407 1 2 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.724 -0.113 18944 408 1 2 . 1 1 19 19 LEU H H 19 8.109 8.109 8.505 -0.396 18944 409 1 2 . 1 1 20 20 LEU N N 20 119.459 119.459 119.811 -0.352 18944 410 1 2 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.919 0.083 18944 411 1 2 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.387 -0.384 18944 412 1 2 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.856 0.102 18944 413 1 2 . 1 1 20 20 LEU H H 20 7.948 7.948 8.460 -0.512 18944 414 1 2 . 1 1 21 21 GLU N N 21 118.593 118.593 118.014 0.579 18944 415 1 2 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.030 0.056 18944 416 1 2 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.153 -0.723 18944 417 1 2 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.394 0.278 18944 418 1 2 . 1 1 21 21 GLU H H 21 7.564 7.564 7.856 -0.292 18944 419 1 2 . 1 1 22 22 LEU N N 22 122.405 122.405 120.097 2.308 18944 420 1 2 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.945 -0.429 18944 421 1 2 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.574 0.655 18944 422 1 2 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.860 -2.864 18944 423 1 2 . 1 1 22 22 LEU H H 22 8.148 8.148 7.781 0.367 18944 424 1 2 . 1 1 23 23 GLU N N 23 118.202 118.202 118.184 0.018 18944 425 1 2 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.099 0.183 18944 426 1 2 . 1 1 23 23 GLU CA C 23 58.816 58.816 59.325 -0.509 18944 427 1 2 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.033 -0.079 18944 428 1 2 . 1 1 23 23 GLU H H 23 7.853 7.853 8.008 -0.155 18944 429 1 2 . 1 1 24 24 LYS N N 24 120.955 120.955 119.788 1.167 18944 430 1 2 . 1 1 24 24 LYS HA H 24 4.026 4.026 3.972 0.054 18944 431 1 2 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.690 0.164 18944 432 1 2 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.450 -0.161 18944 433 1 2 . 1 1 24 24 LYS H H 24 7.828 7.828 7.445 0.383 18944 434 1 2 . 1 1 25 25 GLU N N 25 120.791 120.791 117.221 3.570 18944 435 1 2 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.297 -0.038 18944 436 1 2 . 1 1 25 25 GLU CA C 25 58.720 58.720 57.810 0.910 18944 437 1 2 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.820 -1.245 18944 438 1 2 . 1 1 25 25 GLU H H 25 8.153 8.153 7.867 0.286 18944 439 1 2 . 1 1 26 26 PHE N N 26 115.094 115.094 120.377 -5.283 18944 440 1 2 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.840 -0.348 18944 441 1 2 . 1 1 26 26 PHE CA C 26 56.446 56.446 59.551 -3.105 18944 442 1 2 . 1 1 26 26 PHE CB C 26 41.822 41.822 40.117 1.705 18944 443 1 2 . 1 1 26 26 PHE H H 26 7.404 7.404 7.745 -0.341 18944 444 1 2 . 1 1 27 27 HIS N N 27 115.592 115.592 119.612 -4.020 18944 445 1 2 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.137 -0.084 18944 446 1 2 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.498 -2.008 18944 447 1 2 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.181 -1.351 18944 448 1 2 . 1 1 27 27 HIS H H 27 8.057 8.057 8.346 -0.289 18944 449 1 2 . 1 1 28 28 CYS N N 28 116.364 116.364 115.956 0.408 18944 450 1 2 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.284 -0.259 18944 451 1 2 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.272 -0.649 18944 452 1 2 . 1 1 28 28 CYS CB C 28 29.921 29.921 28.801 1.120 18944 453 1 2 . 1 1 28 28 CYS H H 28 7.972 7.972 8.484 -0.512 18944 454 1 2 . 1 1 29 29 LYS N N 29 122.054 122.054 122.774 -0.720 18944 455 1 2 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.270 0.030 18944 456 1 2 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.061 0.180 18944 457 1 2 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.170 3.019 18944 458 1 2 . 1 1 29 29 LYS H H 29 8.521 8.521 8.259 0.262 18944 459 1 2 . 1 1 30 30 LYS N N 30 118.250 118.250 122.307 -4.057 18944 460 1 2 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.343 0.360 18944 461 1 2 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.425 -0.608 18944 462 1 2 . 1 1 30 30 LYS CB C 30 32.454 32.454 31.974 0.480 18944 463 1 2 . 1 1 30 30 LYS H H 30 7.830 7.830 8.538 -0.708 18944 464 1 2 . 1 1 31 31 TYR N N 31 112.854 112.854 115.971 -3.117 18944 465 1 2 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.772 -0.292 18944 466 1 2 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.898 -0.526 18944 467 1 2 . 1 1 31 31 TYR CB C 31 41.159 41.159 41.623 -0.465 18944 468 1 2 . 1 1 31 31 TYR H H 31 7.294 7.294 7.478 -0.184 18944 469 1 2 . 1 1 32 32 LEU N N 32 122.615 122.615 123.770 -1.155 18944 470 1 2 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.652 0.058 18944 471 1 2 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.077 -1.175 18944 472 1 2 . 1 1 32 32 LEU CB C 32 44.626 44.626 43.387 1.239 18944 473 1 2 . 1 1 32 32 LEU H H 32 8.426 8.426 8.524 -0.098 18944 474 1 2 . 1 1 33 33 SER N N 33 119.224 119.224 117.983 1.241 18944 475 1 2 . 1 1 33 33 SER HA H 33 4.583 4.583 4.443 0.140 18944 476 1 2 . 1 1 33 33 SER CA C 33 56.483 56.483 57.819 -1.336 18944 477 1 2 . 1 1 33 33 SER CB C 33 65.258 65.258 64.137 1.121 18944 478 1 2 . 1 1 33 33 SER H H 33 9.322 9.322 8.454 0.868 18944 479 1 2 . 1 1 34 34 LEU N N 34 121.601 121.601 122.773 -1.172 18944 480 1 2 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.068 -0.091 18944 481 1 2 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.041 0.830 18944 482 1 2 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.692 -0.329 18944 483 1 2 . 1 1 34 34 LEU H H 34 8.808 8.808 8.557 0.251 18944 484 1 2 . 1 1 35 35 THR N N 35 113.816 113.816 114.242 -0.426 18944 485 1 2 . 1 1 35 35 THR HA H 35 3.944 3.944 3.970 -0.026 18944 486 1 2 . 1 1 35 35 THR CA C 35 65.721 65.721 65.962 -0.241 18944 487 1 2 . 1 1 35 35 THR CB C 35 68.367 68.367 67.873 0.494 18944 488 1 2 . 1 1 35 35 THR H H 35 8.104 8.104 8.242 -0.138 18944 489 1 2 . 1 1 36 36 GLU N N 36 123.125 123.125 121.293 1.832 18944 490 1 2 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.031 -0.054 18944 491 1 2 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.471 -0.593 18944 492 1 2 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.770 1.637 18944 493 1 2 . 1 1 36 36 GLU H H 36 7.691 7.691 8.552 -0.861 18944 494 1 2 . 1 1 37 37 ARG N N 37 119.258 119.258 119.475 -0.217 18944 495 1 2 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.945 -0.189 18944 496 1 2 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.337 0.684 18944 497 1 2 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.111 0.744 18944 498 1 2 . 1 1 37 37 ARG H H 37 8.726 8.726 7.791 0.935 18944 499 1 2 . 1 1 38 38 SER N N 38 113.573 113.573 115.027 -1.454 18944 500 1 2 . 1 1 38 38 SER HA H 38 4.073 4.073 4.107 -0.034 18944 501 1 2 . 1 1 38 38 SER CA C 38 61.865 61.865 61.617 0.248 18944 502 1 2 . 1 1 38 38 SER CB C 38 62.685 62.685 62.714 -0.029 18944 503 1 2 . 1 1 38 38 SER H H 38 8.039 8.039 7.725 0.314 18944 504 1 2 . 1 1 39 39 GLN N N 39 121.912 121.912 120.591 1.321 18944 505 1 2 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.962 0.153 18944 506 1 2 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.175 -0.090 18944 507 1 2 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.776 -0.609 18944 508 1 2 . 1 1 39 39 GLN H H 39 8.033 8.033 7.596 0.437 18944 509 1 2 . 1 1 40 40 ILE N N 40 121.716 121.716 120.089 1.627 18944 510 1 2 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.579 0.300 18944 511 1 2 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.372 -1.011 18944 512 1 2 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.487 0.642 18944 513 1 2 . 1 1 40 40 ILE H H 40 8.205 8.205 8.576 -0.371 18944 514 1 2 . 1 1 41 41 ALA N N 41 122.005 122.005 122.957 -0.952 18944 515 1 2 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.920 -0.257 18944 516 1 2 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.336 0.611 18944 517 1 2 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.144 -0.628 18944 518 1 2 . 1 1 41 41 ALA H H 41 8.301 8.301 7.935 0.366 18944 519 1 2 . 1 1 42 42 HIS N N 42 114.193 114.193 117.946 -3.753 18944 520 1 2 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.269 0.125 18944 521 1 2 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.707 -0.058 18944 522 1 2 . 1 1 42 42 HIS CB C 42 28.871 28.871 29.997 -1.126 18944 523 1 2 . 1 1 42 42 HIS H H 42 8.091 8.091 8.444 -0.353 18944 524 1 2 . 1 1 43 43 ALA N N 43 122.121 122.121 123.171 -1.050 18944 525 1 2 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.151 -0.085 18944 526 1 2 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.856 -0.000 18944 527 1 2 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.810 -0.493 18944 528 1 2 . 1 1 43 43 ALA H H 43 8.167 8.167 8.048 0.119 18944 529 1 2 . 1 1 44 44 LEU N N 44 114.117 114.117 115.699 -1.582 18944 530 1 2 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.421 -0.094 18944 531 1 2 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.235 -0.064 18944 532 1 2 . 1 1 44 44 LEU CB C 44 42.472 42.472 41.922 0.550 18944 533 1 2 . 1 1 44 44 LEU H H 44 8.037 8.037 7.738 0.299 18944 534 1 2 . 1 1 45 45 LYS N N 45 117.081 117.081 116.994 0.087 18944 535 1 2 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.872 0.076 18944 536 1 2 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.200 0.014 18944 537 1 2 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.916 -2.557 18944 538 1 2 . 1 1 45 45 LYS H H 45 7.806 7.806 7.393 0.413 18944 539 1 2 . 1 1 46 46 LEU N N 46 119.781 119.781 118.586 1.195 18944 540 1 2 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.289 0.490 18944 541 1 2 . 1 1 46 46 LEU CA C 46 52.375 52.375 55.508 -3.134 18944 542 1 2 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.184 4.246 18944 543 1 2 . 1 1 46 46 LEU H H 46 8.393 8.393 8.081 0.312 18944 544 1 2 . 1 1 47 47 SER N N 47 114.982 114.982 112.314 2.668 18944 545 1 2 . 1 1 47 47 SER HA H 47 4.772 4.772 4.747 0.025 18944 546 1 2 . 1 1 47 47 SER CA C 47 56.659 56.659 56.467 0.192 18944 547 1 2 . 1 1 47 47 SER CB C 47 64.905 64.905 65.650 -0.744 18944 548 1 2 . 1 1 47 47 SER H H 47 8.817 8.817 8.078 0.739 18944 549 1 2 . 1 1 48 48 GLU N N 48 122.917 122.917 122.921 -0.004 18944 550 1 2 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.038 -0.375 18944 551 1 2 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.051 1.091 18944 552 1 2 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.489 -0.496 18944 553 1 2 . 1 1 48 48 GLU H H 48 9.232 9.232 9.047 0.185 18944 554 1 2 . 1 1 49 49 VAL N N 49 118.250 118.250 120.428 -2.178 18944 555 1 2 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.785 -0.015 18944 556 1 2 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.585 -0.892 18944 557 1 2 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.401 0.419 18944 558 1 2 . 1 1 49 49 VAL H H 49 8.015 8.015 8.156 -0.141 18944 559 1 2 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.184 -0.029 18944 560 1 2 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.220 0.021 18944 561 1 2 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.228 1.289 18944 562 1 2 . 1 1 50 50 GLN H H 50 7.714 7.714 7.765 -0.051 18944 563 1 2 . 1 1 51 51 VAL N N 51 119.155 119.155 120.576 -1.421 18944 564 1 2 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.830 -0.137 18944 565 1 2 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.781 0.623 18944 566 1 2 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.447 0.746 18944 567 1 2 . 1 1 51 51 VAL H H 51 7.705 7.705 7.869 -0.164 18944 568 1 2 . 1 1 52 52 LYS N N 52 121.165 121.165 120.905 0.260 18944 569 1 2 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.029 0.244 18944 570 1 2 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.082 -0.236 18944 571 1 2 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.479 0.716 18944 572 1 2 . 1 1 52 52 LYS H H 52 8.545 8.545 8.236 0.309 18944 573 1 2 . 1 1 53 53 ILE N N 53 120.436 120.436 118.711 1.725 18944 574 1 2 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.771 0.058 18944 575 1 2 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.063 -0.832 18944 576 1 2 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.866 0.112 18944 577 1 2 . 1 1 53 53 ILE H H 53 8.733 8.733 8.515 0.218 18944 578 1 2 . 1 1 54 54 TRP N N 54 122.076 122.076 121.892 0.184 18944 579 1 2 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.079 -0.065 18944 580 1 2 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.655 1.747 18944 581 1 2 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.508 -0.650 18944 582 1 2 . 1 1 54 54 TRP H H 54 8.522 8.522 8.259 0.263 18944 583 1 2 . 1 1 55 55 PHE N N 55 119.314 119.314 118.363 0.951 18944 584 1 2 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.023 -0.305 18944 585 1 2 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.334 1.039 18944 586 1 2 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.585 0.740 18944 587 1 2 . 1 1 55 55 PHE H H 55 9.087 9.087 9.238 -0.151 18944 588 1 2 . 1 1 56 56 GLN N N 56 119.067 119.067 119.436 -0.369 18944 589 1 2 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.886 0.109 18944 590 1 2 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.493 -0.015 18944 591 1 2 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.365 0.163 18944 592 1 2 . 1 1 56 56 GLN H H 56 8.148 8.148 8.508 -0.360 18944 593 1 2 . 1 1 57 57 ASN N N 57 119.662 119.662 117.913 1.749 18944 594 1 2 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.330 0.024 18944 595 1 2 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.980 -0.663 18944 596 1 2 . 1 1 57 57 ASN CB C 57 37.725 37.725 37.998 -0.273 18944 597 1 2 . 1 1 57 57 ASN H H 57 8.396 8.396 7.943 0.453 18944 598 1 2 . 1 1 58 58 ARG N N 58 124.411 124.411 120.570 3.841 18944 599 1 2 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.523 -0.015 18944 600 1 2 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.367 -2.222 18944 601 1 2 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.910 -0.953 18944 602 1 2 . 1 1 58 58 ARG H H 58 8.454 8.454 7.645 0.809 18944 603 1 2 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.101 0.254 18944 604 1 2 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.503 0.956 18944 605 1 2 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.065 1.953 18944 606 1 2 . 1 1 60 60 ALA N N 60 121.683 121.683 121.266 0.417 18944 607 1 2 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.141 0.054 18944 608 1 2 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.072 -0.126 18944 609 1 2 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.293 -0.622 18944 610 1 2 . 1 1 60 60 ALA H H 60 7.524 7.524 7.659 -0.135 18944 611 1 2 . 1 1 61 61 LYS N N 61 118.243 118.243 118.283 -0.040 18944 612 1 2 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.981 0.045 18944 613 1 2 . 1 1 61 61 LYS CA C 61 58.604 58.604 58.747 -0.143 18944 614 1 2 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.057 0.670 18944 615 1 2 . 1 1 61 61 LYS H H 61 7.352 7.352 7.754 -0.402 18944 616 1 2 . 1 1 62 62 TRP N N 62 121.102 121.102 123.026 -1.924 18944 617 1 2 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.293 0.350 18944 618 1 2 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.816 -1.893 18944 619 1 2 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.430 0.156 18944 620 1 2 . 1 1 62 62 TRP H H 62 7.934 7.934 8.566 -0.632 18944 621 1 2 . 1 1 63 63 LYS N N 63 118.454 118.454 117.274 1.180 18944 622 1 2 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.514 0.143 18944 623 1 2 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.500 -1.792 18944 624 1 2 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.792 0.881 18944 625 1 2 . 1 1 63 63 LYS H H 63 8.328 8.328 7.757 0.571 18944 626 1 2 . 1 1 64 64 ARG N N 64 119.371 119.371 115.365 4.006 18944 627 1 2 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.153 -0.059 18944 628 1 2 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.158 0.417 18944 629 1 2 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.830 0.212 18944 630 1 2 . 1 1 64 64 ARG H H 64 7.605 7.605 7.497 0.108 18944 631 1 2 . 1 1 65 65 ILE N N 65 120.717 120.717 117.204 3.513 18944 632 1 2 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.140 -0.146 18944 633 1 2 . 1 1 65 65 ILE CA C 65 62.122 62.122 63.089 -0.967 18944 634 1 2 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.493 -1.293 18944 635 1 2 . 1 1 65 65 ILE H H 65 7.933 7.933 7.721 0.212 18944 636 1 2 . 1 1 66 66 LYS N N 66 123.684 123.684 120.246 3.438 18944 637 1 2 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.072 0.068 18944 638 1 2 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.194 -1.504 18944 639 1 2 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.791 0.565 18944 640 1 2 . 1 1 66 66 LYS H H 66 8.180 8.180 8.025 0.155 18944 641 1 2 . 1 1 67 67 ALA N N 67 123.678 123.678 123.633 0.045 18944 642 1 2 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.316 -0.042 18944 643 1 2 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.837 0.711 18944 644 1 2 . 1 1 67 67 ALA CB C 67 19.080 19.080 16.811 2.269 18944 645 1 2 . 1 1 67 67 ALA H H 67 7.959 7.959 7.606 0.353 18944 646 1 2 . 1 1 68 68 GLY N N 68 107.345 107.345 108.735 -1.390 18944 647 1 2 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.604 -0.330 18944 648 1 2 . 1 1 68 68 GLY H H 68 8.157 8.157 7.972 0.185 18944 649 1 2 . 1 1 69 69 ASN N N 69 118.854 118.854 117.526 1.328 18944 650 1 2 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.828 -0.071 18944 651 1 2 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.024 0.042 18944 652 1 2 . 1 1 69 69 ASN CB C 69 38.948 38.948 39.698 -0.750 18944 653 1 2 . 1 1 69 69 ASN H H 69 8.230 8.230 8.335 -0.105 18944 654 1 2 . 1 1 70 70 VAL N N 70 119.499 119.499 116.134 3.365 18944 655 1 2 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.247 -0.041 18944 656 1 2 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.655 -1.593 18944 657 1 2 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.083 0.721 18944 658 1 2 . 1 1 70 70 VAL H H 70 8.109 8.109 8.036 0.073 18944 659 1 3 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.552 -0.112 18944 660 1 3 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.727 0.574 18944 661 1 3 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.438 -0.568 18944 662 1 3 . 1 1 4 4 GLY N N 4 109.613 109.613 107.507 2.106 18944 663 1 3 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.686 0.558 18944 664 1 3 . 1 1 4 4 GLY H H 4 8.536 8.536 8.914 -0.378 18944 665 1 3 . 1 1 5 5 GLY N N 5 108.797 108.797 110.578 -1.781 18944 666 1 3 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.732 0.520 18944 667 1 3 . 1 1 5 5 GLY H H 5 8.298 8.298 8.286 0.012 18944 668 1 3 . 1 1 6 6 LYS N N 6 120.988 120.988 117.739 3.249 18944 669 1 3 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.105 -0.158 18944 670 1 3 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.456 0.802 18944 671 1 3 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.096 0.814 18944 672 1 3 . 1 1 6 6 LYS H H 6 8.313 8.313 8.298 0.015 18944 673 1 3 . 1 1 7 7 SER N N 7 116.912 116.912 116.138 0.774 18944 674 1 3 . 1 1 7 7 SER HA H 7 4.420 4.420 4.453 -0.033 18944 675 1 3 . 1 1 7 7 SER CA C 7 58.338 58.338 59.003 -0.665 18944 676 1 3 . 1 1 7 7 SER CB C 7 63.540 63.540 63.082 0.458 18944 677 1 3 . 1 1 7 7 SER H H 7 8.345 8.345 8.070 0.275 18944 678 1 3 . 1 1 8 8 ARG N N 8 123.496 123.496 124.797 -1.301 18944 679 1 3 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.474 -0.135 18944 680 1 3 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.192 -0.154 18944 681 1 3 . 1 1 8 8 ARG CB C 8 30.596 30.596 31.196 -0.600 18944 682 1 3 . 1 1 8 8 ARG H H 8 8.410 8.410 8.747 -0.337 18944 683 1 3 . 1 1 9 9 ARG N N 9 122.569 122.569 116.504 6.065 18944 684 1 3 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.581 -0.273 18944 685 1 3 . 1 1 9 9 ARG CA C 9 55.979 55.979 54.822 1.157 18944 686 1 3 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.244 -1.544 18944 687 1 3 . 1 1 9 9 ARG H H 9 8.340 8.340 7.349 0.991 18944 688 1 3 . 1 1 10 10 ARG N N 10 123.464 123.464 123.378 0.086 18944 689 1 3 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.197 0.131 18944 690 1 3 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.040 -1.114 18944 691 1 3 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.600 2.221 18944 692 1 3 . 1 1 10 10 ARG H H 10 8.457 8.457 8.769 -0.312 18944 693 1 3 . 1 1 11 11 ARG N N 11 123.477 123.477 120.714 2.763 18944 694 1 3 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.464 -0.075 18944 695 1 3 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.898 0.071 18944 696 1 3 . 1 1 11 11 ARG CB C 11 30.839 30.839 34.070 -3.231 18944 697 1 3 . 1 1 11 11 ARG H H 11 8.540 8.540 8.227 0.313 18944 698 1 3 . 1 1 12 12 THR N N 12 116.338 116.338 117.272 -0.934 18944 699 1 3 . 1 1 12 12 THR HA H 12 4.289 4.289 3.947 0.342 18944 700 1 3 . 1 1 12 12 THR CA C 12 61.393 61.393 62.532 -1.139 18944 701 1 3 . 1 1 12 12 THR CB C 12 69.660 69.660 68.861 0.799 18944 702 1 3 . 1 1 12 12 THR H H 12 8.249 8.249 8.220 0.029 18944 703 1 3 . 1 1 13 13 ALA N N 13 127.182 127.182 129.660 -2.478 18944 704 1 3 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.772 0.533 18944 705 1 3 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.915 -1.891 18944 706 1 3 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.567 1.087 18944 707 1 3 . 1 1 13 13 ALA H H 13 8.275 8.275 8.527 -0.252 18944 708 1 3 . 1 1 14 14 PHE N N 14 118.661 118.661 117.714 0.947 18944 709 1 3 . 1 1 14 14 PHE HA H 14 4.963 4.963 4.860 0.103 18944 710 1 3 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.007 0.251 18944 711 1 3 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.719 -2.000 18944 712 1 3 . 1 1 14 14 PHE H H 14 8.060 8.060 7.929 0.131 18944 713 1 3 . 1 1 15 15 THR N N 15 113.672 113.672 111.844 1.828 18944 714 1 3 . 1 1 15 15 THR HA H 15 4.522 4.522 5.028 -0.506 18944 715 1 3 . 1 1 15 15 THR CA C 15 60.272 60.272 59.447 0.825 18944 716 1 3 . 1 1 15 15 THR CB C 15 70.919 70.919 71.120 -0.201 18944 717 1 3 . 1 1 15 15 THR H H 15 9.139 9.139 8.322 0.817 18944 718 1 3 . 1 1 16 16 SER N N 16 116.722 116.722 116.203 0.519 18944 719 1 3 . 1 1 16 16 SER HA H 16 3.934 3.934 4.130 -0.196 18944 720 1 3 . 1 1 16 16 SER CA C 16 62.071 62.071 62.355 -0.284 18944 721 1 3 . 1 1 16 16 SER CB C 16 61.814 61.814 63.030 -1.216 18944 722 1 3 . 1 1 16 16 SER H H 16 9.094 9.094 8.680 0.414 18944 723 1 3 . 1 1 17 17 GLU N N 17 120.784 120.784 122.077 -1.293 18944 724 1 3 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.951 0.071 18944 725 1 3 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.628 0.499 18944 726 1 3 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.282 -0.174 18944 727 1 3 . 1 1 17 17 GLU H H 17 8.673 8.673 8.047 0.626 18944 728 1 3 . 1 1 18 18 GLN N N 18 118.707 118.707 118.345 0.362 18944 729 1 3 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.027 -0.218 18944 730 1 3 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.586 0.375 18944 731 1 3 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.841 -0.861 18944 732 1 3 . 1 1 18 18 GLN H H 18 7.748 7.748 7.894 -0.146 18944 733 1 3 . 1 1 19 19 LEU N N 19 117.129 117.129 120.568 -3.439 18944 734 1 3 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.624 0.005 18944 735 1 3 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.384 0.411 18944 736 1 3 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.973 -0.362 18944 737 1 3 . 1 1 19 19 LEU H H 19 8.109 8.109 7.909 0.200 18944 738 1 3 . 1 1 20 20 LEU N N 20 119.459 119.459 120.207 -0.748 18944 739 1 3 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.928 0.074 18944 740 1 3 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.219 -0.216 18944 741 1 3 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.216 0.742 18944 742 1 3 . 1 1 20 20 LEU H H 20 7.948 7.948 8.332 -0.384 18944 743 1 3 . 1 1 21 21 GLU N N 21 118.593 118.593 118.387 0.206 18944 744 1 3 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.058 0.028 18944 745 1 3 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.153 -0.723 18944 746 1 3 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.125 0.547 18944 747 1 3 . 1 1 21 21 GLU H H 21 7.564 7.564 8.438 -0.874 18944 748 1 3 . 1 1 22 22 LEU N N 22 122.405 122.405 118.764 3.641 18944 749 1 3 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.782 -0.266 18944 750 1 3 . 1 1 22 22 LEU CA C 22 58.229 58.229 56.921 1.308 18944 751 1 3 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.888 -2.892 18944 752 1 3 . 1 1 22 22 LEU H H 22 8.148 8.148 7.176 0.972 18944 753 1 3 . 1 1 23 23 GLU N N 23 118.202 118.202 116.310 1.892 18944 754 1 3 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.163 0.119 18944 755 1 3 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.422 0.394 18944 756 1 3 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.426 -0.472 18944 757 1 3 . 1 1 23 23 GLU H H 23 7.853 7.853 7.590 0.263 18944 758 1 3 . 1 1 24 24 LYS N N 24 120.955 120.955 121.836 -0.881 18944 759 1 3 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.081 -0.055 18944 760 1 3 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.677 0.177 18944 761 1 3 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.389 -0.099 18944 762 1 3 . 1 1 24 24 LYS H H 24 7.828 7.828 7.559 0.269 18944 763 1 3 . 1 1 25 25 GLU N N 25 120.791 120.791 117.761 3.030 18944 764 1 3 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.205 0.054 18944 765 1 3 . 1 1 25 25 GLU CA C 25 58.720 58.720 57.408 1.312 18944 766 1 3 . 1 1 25 25 GLU CB C 25 28.575 28.575 28.941 -0.366 18944 767 1 3 . 1 1 25 25 GLU H H 25 8.153 8.153 8.295 -0.142 18944 768 1 3 . 1 1 26 26 PHE N N 26 115.094 115.094 119.238 -4.144 18944 769 1 3 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.585 -0.093 18944 770 1 3 . 1 1 26 26 PHE CA C 26 56.446 56.446 57.428 -0.982 18944 771 1 3 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.384 2.438 18944 772 1 3 . 1 1 26 26 PHE H H 26 7.404 7.404 7.469 -0.065 18944 773 1 3 . 1 1 27 27 HIS N N 27 115.592 115.592 119.889 -4.297 18944 774 1 3 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.105 -0.052 18944 775 1 3 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.680 -2.190 18944 776 1 3 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.384 -1.554 18944 777 1 3 . 1 1 27 27 HIS H H 27 8.057 8.057 8.273 -0.216 18944 778 1 3 . 1 1 28 28 CYS N N 28 116.364 116.364 116.200 0.164 18944 779 1 3 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.208 -0.183 18944 780 1 3 . 1 1 28 28 CYS CA C 28 58.623 58.623 62.053 -3.430 18944 781 1 3 . 1 1 28 28 CYS CB C 28 29.921 29.921 27.750 2.171 18944 782 1 3 . 1 1 28 28 CYS H H 28 7.972 7.972 8.692 -0.720 18944 783 1 3 . 1 1 29 29 LYS N N 29 122.054 122.054 118.751 3.303 18944 784 1 3 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.214 0.086 18944 785 1 3 . 1 1 29 29 LYS CA C 29 56.241 56.241 57.476 -1.235 18944 786 1 3 . 1 1 29 29 LYS CB C 29 35.189 35.189 33.060 2.129 18944 787 1 3 . 1 1 29 29 LYS H H 29 8.521 8.521 8.292 0.229 18944 788 1 3 . 1 1 30 30 LYS N N 30 118.250 118.250 118.403 -0.153 18944 789 1 3 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.372 -0.669 18944 790 1 3 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.967 -1.150 18944 791 1 3 . 1 1 30 30 LYS CB C 30 32.454 32.454 34.190 -1.736 18944 792 1 3 . 1 1 30 30 LYS H H 30 7.830 7.830 8.470 -0.640 18944 793 1 3 . 1 1 31 31 TYR N N 31 112.854 112.854 119.459 -6.605 18944 794 1 3 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.780 -0.300 18944 795 1 3 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.802 -0.430 18944 796 1 3 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.522 1.637 18944 797 1 3 . 1 1 31 31 TYR H H 31 7.294 7.294 7.946 -0.652 18944 798 1 3 . 1 1 32 32 LEU N N 32 122.615 122.615 126.322 -3.707 18944 799 1 3 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.384 0.326 18944 800 1 3 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.614 -0.712 18944 801 1 3 . 1 1 32 32 LEU CB C 32 44.626 44.626 41.076 3.550 18944 802 1 3 . 1 1 32 32 LEU H H 32 8.426 8.426 8.317 0.109 18944 803 1 3 . 1 1 33 33 SER N N 33 119.224 119.224 117.554 1.670 18944 804 1 3 . 1 1 33 33 SER HA H 33 4.583 4.583 4.365 0.218 18944 805 1 3 . 1 1 33 33 SER CA C 33 56.483 56.483 58.659 -2.176 18944 806 1 3 . 1 1 33 33 SER CB C 33 65.258 65.258 64.407 0.851 18944 807 1 3 . 1 1 33 33 SER H H 33 9.322 9.322 8.373 0.949 18944 808 1 3 . 1 1 34 34 LEU N N 34 121.601 121.601 123.174 -1.573 18944 809 1 3 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.021 -0.044 18944 810 1 3 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.546 0.325 18944 811 1 3 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.569 -0.206 18944 812 1 3 . 1 1 34 34 LEU H H 34 8.808 8.808 8.648 0.160 18944 813 1 3 . 1 1 35 35 THR N N 35 113.816 113.816 113.956 -0.140 18944 814 1 3 . 1 1 35 35 THR HA H 35 3.944 3.944 3.966 -0.022 18944 815 1 3 . 1 1 35 35 THR CA C 35 65.721 65.721 66.315 -0.594 18944 816 1 3 . 1 1 35 35 THR CB C 35 68.367 68.367 67.780 0.587 18944 817 1 3 . 1 1 35 35 THR H H 35 8.104 8.104 8.226 -0.122 18944 818 1 3 . 1 1 36 36 GLU N N 36 123.125 123.125 121.488 1.637 18944 819 1 3 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.071 -0.094 18944 820 1 3 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.493 -0.615 18944 821 1 3 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.831 1.575 18944 822 1 3 . 1 1 36 36 GLU H H 36 7.691 7.691 7.886 -0.195 18944 823 1 3 . 1 1 37 37 ARG N N 37 119.258 119.258 120.384 -1.126 18944 824 1 3 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.869 -0.113 18944 825 1 3 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.612 0.409 18944 826 1 3 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.163 0.692 18944 827 1 3 . 1 1 37 37 ARG H H 37 8.726 8.726 8.275 0.451 18944 828 1 3 . 1 1 38 38 SER N N 38 113.573 113.573 115.196 -1.623 18944 829 1 3 . 1 1 38 38 SER HA H 38 4.073 4.073 4.030 0.043 18944 830 1 3 . 1 1 38 38 SER CA C 38 61.865 61.865 61.514 0.352 18944 831 1 3 . 1 1 38 38 SER CB C 38 62.685 62.685 62.721 -0.036 18944 832 1 3 . 1 1 38 38 SER H H 38 8.039 8.039 8.354 -0.315 18944 833 1 3 . 1 1 39 39 GLN N N 39 121.912 121.912 120.758 1.154 18944 834 1 3 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.903 0.212 18944 835 1 3 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.255 -0.170 18944 836 1 3 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.741 -0.574 18944 837 1 3 . 1 1 39 39 GLN H H 39 8.033 8.033 7.810 0.223 18944 838 1 3 . 1 1 40 40 ILE N N 40 121.716 121.716 119.857 1.859 18944 839 1 3 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.581 0.298 18944 840 1 3 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.415 -1.054 18944 841 1 3 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.507 0.622 18944 842 1 3 . 1 1 40 40 ILE H H 40 8.205 8.205 7.986 0.219 18944 843 1 3 . 1 1 41 41 ALA N N 41 122.005 122.005 122.719 -0.714 18944 844 1 3 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.952 -0.289 18944 845 1 3 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.203 0.744 18944 846 1 3 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.196 -0.680 18944 847 1 3 . 1 1 41 41 ALA H H 41 8.301 8.301 7.988 0.313 18944 848 1 3 . 1 1 42 42 HIS N N 42 114.193 114.193 117.817 -3.624 18944 849 1 3 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.233 0.161 18944 850 1 3 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.474 0.175 18944 851 1 3 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.067 -1.196 18944 852 1 3 . 1 1 42 42 HIS H H 42 8.091 8.091 8.366 -0.275 18944 853 1 3 . 1 1 43 43 ALA N N 43 122.121 122.121 121.056 1.065 18944 854 1 3 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.195 -0.129 18944 855 1 3 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.419 0.437 18944 856 1 3 . 1 1 43 43 ALA CB C 43 18.317 18.317 19.196 -0.879 18944 857 1 3 . 1 1 43 43 ALA H H 43 8.167 8.167 8.398 -0.231 18944 858 1 3 . 1 1 44 44 LEU N N 44 114.117 114.117 116.122 -2.005 18944 859 1 3 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.422 -0.095 18944 860 1 3 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.488 -0.317 18944 861 1 3 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.575 -0.103 18944 862 1 3 . 1 1 44 44 LEU H H 44 8.037 8.037 7.782 0.255 18944 863 1 3 . 1 1 45 45 LYS N N 45 117.081 117.081 117.111 -0.030 18944 864 1 3 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.966 -0.018 18944 865 1 3 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.060 0.153 18944 866 1 3 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.867 -2.509 18944 867 1 3 . 1 1 45 45 LYS H H 45 7.806 7.806 7.831 -0.025 18944 868 1 3 . 1 1 46 46 LEU N N 46 119.781 119.781 118.245 1.536 18944 869 1 3 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.248 0.531 18944 870 1 3 . 1 1 46 46 LEU CA C 46 52.375 52.375 55.460 -3.085 18944 871 1 3 . 1 1 46 46 LEU CB C 46 47.430 47.430 42.908 4.522 18944 872 1 3 . 1 1 46 46 LEU H H 46 8.393 8.393 7.626 0.767 18944 873 1 3 . 1 1 47 47 SER N N 47 114.982 114.982 111.901 3.081 18944 874 1 3 . 1 1 47 47 SER HA H 47 4.772 4.772 4.740 0.032 18944 875 1 3 . 1 1 47 47 SER CA C 47 56.659 56.659 57.100 -0.441 18944 876 1 3 . 1 1 47 47 SER CB C 47 64.905 64.905 65.827 -0.922 18944 877 1 3 . 1 1 47 47 SER H H 47 8.817 8.817 8.175 0.642 18944 878 1 3 . 1 1 48 48 GLU N N 48 122.917 122.917 122.081 0.836 18944 879 1 3 . 1 1 48 48 GLU HA H 48 3.663 3.663 3.980 -0.317 18944 880 1 3 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.297 0.845 18944 881 1 3 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.430 -0.437 18944 882 1 3 . 1 1 48 48 GLU H H 48 9.232 9.232 8.864 0.368 18944 883 1 3 . 1 1 49 49 VAL N N 49 118.250 118.250 119.814 -1.564 18944 884 1 3 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.809 -0.039 18944 885 1 3 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.399 -0.706 18944 886 1 3 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.027 0.793 18944 887 1 3 . 1 1 49 49 VAL H H 49 8.015 8.015 8.231 -0.216 18944 888 1 3 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.196 -0.041 18944 889 1 3 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.260 -0.019 18944 890 1 3 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.487 1.030 18944 891 1 3 . 1 1 50 50 GLN H H 50 7.714 7.714 7.806 -0.092 18944 892 1 3 . 1 1 51 51 VAL N N 51 119.155 119.155 121.013 -1.858 18944 893 1 3 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.704 -0.011 18944 894 1 3 . 1 1 51 51 VAL CA C 51 67.404 67.404 67.246 0.158 18944 895 1 3 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.299 0.894 18944 896 1 3 . 1 1 51 51 VAL H H 51 7.705 7.705 8.067 -0.362 18944 897 1 3 . 1 1 52 52 LYS N N 52 121.165 121.165 120.597 0.568 18944 898 1 3 . 1 1 52 52 LYS HA H 52 4.273 4.273 3.906 0.367 18944 899 1 3 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.922 -0.076 18944 900 1 3 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.355 0.840 18944 901 1 3 . 1 1 52 52 LYS H H 52 8.545 8.545 7.989 0.556 18944 902 1 3 . 1 1 53 53 ILE N N 53 120.436 120.436 118.729 1.707 18944 903 1 3 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.773 0.056 18944 904 1 3 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.088 -0.856 18944 905 1 3 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.885 0.093 18944 906 1 3 . 1 1 53 53 ILE H H 53 8.733 8.733 8.556 0.177 18944 907 1 3 . 1 1 54 54 TRP N N 54 122.076 122.076 121.596 0.480 18944 908 1 3 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.158 -0.144 18944 909 1 3 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.739 1.663 18944 910 1 3 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.597 -0.740 18944 911 1 3 . 1 1 54 54 TRP H H 54 8.522 8.522 7.800 0.722 18944 912 1 3 . 1 1 55 55 PHE N N 55 119.314 119.314 118.561 0.753 18944 913 1 3 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.890 -0.172 18944 914 1 3 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.547 0.826 18944 915 1 3 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.351 0.974 18944 916 1 3 . 1 1 55 55 PHE H H 55 9.087 9.087 9.144 -0.057 18944 917 1 3 . 1 1 56 56 GLN N N 56 119.067 119.067 118.126 0.941 18944 918 1 3 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.859 0.136 18944 919 1 3 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.370 0.108 18944 920 1 3 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.338 0.190 18944 921 1 3 . 1 1 56 56 GLN H H 56 8.148 8.148 8.696 -0.548 18944 922 1 3 . 1 1 57 57 ASN N N 57 119.662 119.662 117.607 2.055 18944 923 1 3 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.371 -0.017 18944 924 1 3 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.959 -0.642 18944 925 1 3 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.099 -0.374 18944 926 1 3 . 1 1 57 57 ASN H H 57 8.396 8.396 7.715 0.681 18944 927 1 3 . 1 1 58 58 ARG N N 58 124.411 124.411 120.062 4.349 18944 928 1 3 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.636 -0.128 18944 929 1 3 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.872 -2.727 18944 930 1 3 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.390 -1.433 18944 931 1 3 . 1 1 58 58 ARG H H 58 8.454 8.454 7.587 0.867 18944 932 1 3 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.101 0.253 18944 933 1 3 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.246 1.213 18944 934 1 3 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.033 1.985 18944 935 1 3 . 1 1 60 60 ALA N N 60 121.683 121.683 122.316 -0.633 18944 936 1 3 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.100 0.095 18944 937 1 3 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.177 -0.231 18944 938 1 3 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.095 -0.424 18944 939 1 3 . 1 1 60 60 ALA H H 60 7.524 7.524 7.668 -0.144 18944 940 1 3 . 1 1 61 61 LYS N N 61 118.243 118.243 118.952 -0.709 18944 941 1 3 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.975 0.051 18944 942 1 3 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.032 -0.428 18944 943 1 3 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.401 0.326 18944 944 1 3 . 1 1 61 61 LYS H H 61 7.352 7.352 7.403 -0.051 18944 945 1 3 . 1 1 62 62 TRP N N 62 121.102 121.102 121.326 -0.224 18944 946 1 3 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.343 0.300 18944 947 1 3 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.129 -2.205 18944 948 1 3 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.546 0.040 18944 949 1 3 . 1 1 62 62 TRP H H 62 7.934 7.934 8.628 -0.694 18944 950 1 3 . 1 1 63 63 LYS N N 63 118.454 118.454 117.345 1.109 18944 951 1 3 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.466 0.191 18944 952 1 3 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.565 -1.857 18944 953 1 3 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.982 0.692 18944 954 1 3 . 1 1 63 63 LYS H H 63 8.328 8.328 7.892 0.436 18944 955 1 3 . 1 1 64 64 ARG N N 64 119.371 119.371 117.583 1.788 18944 956 1 3 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.213 -0.119 18944 957 1 3 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.594 -0.019 18944 958 1 3 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.865 0.177 18944 959 1 3 . 1 1 64 64 ARG H H 64 7.605 7.605 7.633 -0.028 18944 960 1 3 . 1 1 65 65 ILE N N 65 120.717 120.717 120.197 0.520 18944 961 1 3 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.159 -0.165 18944 962 1 3 . 1 1 65 65 ILE CA C 65 62.122 62.122 62.577 -0.455 18944 963 1 3 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.866 -1.666 18944 964 1 3 . 1 1 65 65 ILE H H 65 7.933 7.933 7.942 -0.009 18944 965 1 3 . 1 1 66 66 LYS N N 66 123.684 123.684 121.206 2.478 18944 966 1 3 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.943 0.197 18944 967 1 3 . 1 1 66 66 LYS CA C 66 56.691 56.691 59.101 -2.410 18944 968 1 3 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.066 0.290 18944 969 1 3 . 1 1 66 66 LYS H H 66 8.180 8.180 8.179 0.001 18944 970 1 3 . 1 1 67 67 ALA N N 67 123.678 123.678 119.618 4.060 18944 971 1 3 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.464 -0.190 18944 972 1 3 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.118 0.430 18944 973 1 3 . 1 1 67 67 ALA CB C 67 19.080 19.080 19.807 -0.727 18944 974 1 3 . 1 1 67 67 ALA H H 67 7.959 7.959 7.455 0.504 18944 975 1 3 . 1 1 68 68 GLY N N 68 107.345 107.345 106.306 1.039 18944 976 1 3 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.151 0.123 18944 977 1 3 . 1 1 68 68 GLY H H 68 8.157 8.157 8.331 -0.174 18944 978 1 3 . 1 1 69 69 ASN N N 69 118.854 118.854 118.685 0.169 18944 979 1 3 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.691 0.066 18944 980 1 3 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.893 0.173 18944 981 1 3 . 1 1 69 69 ASN CB C 69 38.948 38.948 38.534 0.414 18944 982 1 3 . 1 1 69 69 ASN H H 69 8.230 8.230 8.057 0.173 18944 983 1 3 . 1 1 70 70 VAL N N 70 119.499 119.499 117.458 2.041 18944 984 1 3 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.688 0.518 18944 985 1 3 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.503 -1.441 18944 986 1 3 . 1 1 70 70 VAL CB C 70 32.804 32.804 30.240 2.564 18944 987 1 3 . 1 1 70 70 VAL H H 70 8.109 8.109 8.074 0.035 18944 988 1 4 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.372 0.068 18944 989 1 4 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.638 -0.337 18944 990 1 4 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.269 -0.399 18944 991 1 4 . 1 1 4 4 GLY N N 4 109.613 109.613 109.747 -0.134 18944 992 1 4 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.585 0.659 18944 993 1 4 . 1 1 4 4 GLY H H 4 8.536 8.536 8.400 0.136 18944 994 1 4 . 1 1 5 5 GLY N N 5 108.797 108.797 111.168 -2.371 18944 995 1 4 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.932 0.320 18944 996 1 4 . 1 1 5 5 GLY H H 5 8.298 8.298 7.936 0.362 18944 997 1 4 . 1 1 6 6 LYS N N 6 120.988 120.988 121.708 -0.720 18944 998 1 4 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.515 -0.568 18944 999 1 4 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.758 1.500 18944 1000 1 4 . 1 1 6 6 LYS CB C 6 32.910 32.910 33.500 -0.590 18944 1001 1 4 . 1 1 6 6 LYS H H 6 8.313 8.313 8.294 0.019 18944 1002 1 4 . 1 1 7 7 SER N N 7 116.912 116.912 119.984 -3.072 18944 1003 1 4 . 1 1 7 7 SER HA H 7 4.420 4.420 4.238 0.182 18944 1004 1 4 . 1 1 7 7 SER CA C 7 58.338 58.338 59.368 -1.030 18944 1005 1 4 . 1 1 7 7 SER CB C 7 63.540 63.540 63.538 0.003 18944 1006 1 4 . 1 1 7 7 SER H H 7 8.345 8.345 8.801 -0.456 18944 1007 1 4 . 1 1 8 8 ARG N N 8 123.496 123.496 120.475 3.021 18944 1008 1 4 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.098 0.241 18944 1009 1 4 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.360 -0.322 18944 1010 1 4 . 1 1 8 8 ARG CB C 8 30.596 30.596 29.445 1.151 18944 1011 1 4 . 1 1 8 8 ARG H H 8 8.410 8.410 8.182 0.228 18944 1012 1 4 . 1 1 9 9 ARG N N 9 122.569 122.569 121.718 0.851 18944 1013 1 4 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.020 0.288 18944 1014 1 4 . 1 1 9 9 ARG CA C 9 55.979 55.979 57.898 -1.919 18944 1015 1 4 . 1 1 9 9 ARG CB C 9 30.700 30.700 30.378 0.322 18944 1016 1 4 . 1 1 9 9 ARG H H 9 8.340 8.340 8.151 0.189 18944 1017 1 4 . 1 1 10 10 ARG N N 10 123.464 123.464 116.756 6.708 18944 1018 1 4 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.094 0.234 18944 1019 1 4 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.231 -1.305 18944 1020 1 4 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.890 1.931 18944 1021 1 4 . 1 1 10 10 ARG H H 10 8.457 8.457 8.424 0.033 18944 1022 1 4 . 1 1 11 11 ARG N N 11 123.477 123.477 117.781 5.696 18944 1023 1 4 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.541 -0.152 18944 1024 1 4 . 1 1 11 11 ARG CA C 11 55.969 55.969 54.352 1.617 18944 1025 1 4 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.346 -1.506 18944 1026 1 4 . 1 1 11 11 ARG H H 11 8.540 8.540 7.865 0.675 18944 1027 1 4 . 1 1 12 12 THR N N 12 116.338 116.338 113.319 3.019 18944 1028 1 4 . 1 1 12 12 THR HA H 12 4.289 4.289 4.097 0.192 18944 1029 1 4 . 1 1 12 12 THR CA C 12 61.393 61.393 63.262 -1.869 18944 1030 1 4 . 1 1 12 12 THR CB C 12 69.660 69.660 69.453 0.207 18944 1031 1 4 . 1 1 12 12 THR H H 12 8.249 8.249 8.169 0.080 18944 1032 1 4 . 1 1 13 13 ALA N N 13 127.182 127.182 122.885 4.297 18944 1033 1 4 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.014 0.291 18944 1034 1 4 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.845 -1.821 18944 1035 1 4 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.386 0.268 18944 1036 1 4 . 1 1 13 13 ALA H H 13 8.275 8.275 8.348 -0.073 18944 1037 1 4 . 1 1 14 14 PHE N N 14 118.661 118.661 114.376 4.285 18944 1038 1 4 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.117 -0.154 18944 1039 1 4 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.001 1.257 18944 1040 1 4 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.744 -1.025 18944 1041 1 4 . 1 1 14 14 PHE H H 14 8.060 8.060 7.735 0.325 18944 1042 1 4 . 1 1 15 15 THR N N 15 113.672 113.672 114.624 -0.952 18944 1043 1 4 . 1 1 15 15 THR HA H 15 4.522 4.522 4.833 -0.311 18944 1044 1 4 . 1 1 15 15 THR CA C 15 60.272 60.272 60.813 -0.541 18944 1045 1 4 . 1 1 15 15 THR CB C 15 70.919 70.919 70.569 0.351 18944 1046 1 4 . 1 1 15 15 THR H H 15 9.139 9.139 8.981 0.158 18944 1047 1 4 . 1 1 16 16 SER N N 16 116.722 116.722 117.207 -0.485 18944 1048 1 4 . 1 1 16 16 SER HA H 16 3.934 3.934 4.077 -0.143 18944 1049 1 4 . 1 1 16 16 SER CA C 16 62.071 62.071 62.934 -0.863 18944 1050 1 4 . 1 1 16 16 SER CB C 16 61.814 61.814 62.571 -0.757 18944 1051 1 4 . 1 1 16 16 SER H H 16 9.094 9.094 8.802 0.292 18944 1052 1 4 . 1 1 17 17 GLU N N 17 120.784 120.784 121.001 -0.217 18944 1053 1 4 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.070 -0.048 18944 1054 1 4 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.490 0.637 18944 1055 1 4 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.410 -0.302 18944 1056 1 4 . 1 1 17 17 GLU H H 17 8.673 8.673 8.578 0.095 18944 1057 1 4 . 1 1 18 18 GLN N N 18 118.707 118.707 119.019 -0.312 18944 1058 1 4 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.948 -0.139 18944 1059 1 4 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.961 -0.000 18944 1060 1 4 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.956 -0.976 18944 1061 1 4 . 1 1 18 18 GLN H H 18 7.748 7.748 7.819 -0.071 18944 1062 1 4 . 1 1 19 19 LEU N N 19 117.129 117.129 120.403 -3.274 18944 1063 1 4 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.718 -0.089 18944 1064 1 4 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.739 0.056 18944 1065 1 4 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.774 -0.163 18944 1066 1 4 . 1 1 19 19 LEU H H 19 8.109 8.109 8.493 -0.384 18944 1067 1 4 . 1 1 20 20 LEU N N 20 119.459 119.459 120.798 -1.339 18944 1068 1 4 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.979 0.023 18944 1069 1 4 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.278 -0.275 18944 1070 1 4 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.263 0.695 18944 1071 1 4 . 1 1 20 20 LEU H H 20 7.948 7.948 8.266 -0.318 18944 1072 1 4 . 1 1 21 21 GLU N N 21 118.593 118.593 117.679 0.914 18944 1073 1 4 . 1 1 21 21 GLU HA H 21 4.086 4.086 3.935 0.151 18944 1074 1 4 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.213 -0.783 18944 1075 1 4 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.245 0.427 18944 1076 1 4 . 1 1 21 21 GLU H H 21 7.564 7.564 8.225 -0.661 18944 1077 1 4 . 1 1 22 22 LEU N N 22 122.405 122.405 118.410 3.995 18944 1078 1 4 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.956 -0.440 18944 1079 1 4 . 1 1 22 22 LEU CA C 22 58.229 58.229 56.910 1.319 18944 1080 1 4 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.429 -3.433 18944 1081 1 4 . 1 1 22 22 LEU H H 22 8.148 8.148 7.338 0.810 18944 1082 1 4 . 1 1 23 23 GLU N N 23 118.202 118.202 119.752 -1.550 18944 1083 1 4 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.157 0.125 18944 1084 1 4 . 1 1 23 23 GLU CA C 23 58.816 58.816 59.132 -0.316 18944 1085 1 4 . 1 1 23 23 GLU CB C 23 28.954 28.954 28.932 0.022 18944 1086 1 4 . 1 1 23 23 GLU H H 23 7.853 7.853 8.336 -0.483 18944 1087 1 4 . 1 1 24 24 LYS N N 24 120.955 120.955 119.861 1.094 18944 1088 1 4 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.013 0.013 18944 1089 1 4 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.025 0.829 18944 1090 1 4 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.165 0.125 18944 1091 1 4 . 1 1 24 24 LYS H H 24 7.828 7.828 7.765 0.063 18944 1092 1 4 . 1 1 25 25 GLU N N 25 120.791 120.791 120.210 0.581 18944 1093 1 4 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.098 0.161 18944 1094 1 4 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.860 -0.140 18944 1095 1 4 . 1 1 25 25 GLU CB C 25 28.575 28.575 28.952 -0.377 18944 1096 1 4 . 1 1 25 25 GLU H H 25 8.153 8.153 7.999 0.154 18944 1097 1 4 . 1 1 26 26 PHE N N 26 115.094 115.094 118.723 -3.629 18944 1098 1 4 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.550 -0.058 18944 1099 1 4 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.899 -2.453 18944 1100 1 4 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.319 2.503 18944 1101 1 4 . 1 1 26 26 PHE H H 26 7.404 7.404 7.555 -0.151 18944 1102 1 4 . 1 1 27 27 HIS N N 27 115.592 115.592 118.715 -3.123 18944 1103 1 4 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.269 -0.216 18944 1104 1 4 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.071 -1.581 18944 1105 1 4 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.360 -1.530 18944 1106 1 4 . 1 1 27 27 HIS H H 27 8.057 8.057 7.751 0.306 18944 1107 1 4 . 1 1 28 28 CYS N N 28 116.364 116.364 114.894 1.470 18944 1108 1 4 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.527 -0.502 18944 1109 1 4 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.005 -0.382 18944 1110 1 4 . 1 1 28 28 CYS CB C 28 29.921 29.921 30.129 -0.208 18944 1111 1 4 . 1 1 28 28 CYS H H 28 7.972 7.972 7.718 0.254 18944 1112 1 4 . 1 1 29 29 LYS N N 29 122.054 122.054 121.125 0.929 18944 1113 1 4 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.994 0.306 18944 1114 1 4 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.497 -0.256 18944 1115 1 4 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.985 2.204 18944 1116 1 4 . 1 1 29 29 LYS H H 29 8.521 8.521 8.018 0.503 18944 1117 1 4 . 1 1 30 30 LYS N N 30 118.250 118.250 116.113 2.137 18944 1118 1 4 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.885 -0.182 18944 1119 1 4 . 1 1 30 30 LYS CA C 30 55.817 55.817 54.910 0.907 18944 1120 1 4 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.990 -0.536 18944 1121 1 4 . 1 1 30 30 LYS H H 30 7.830 7.830 8.108 -0.278 18944 1122 1 4 . 1 1 31 31 TYR N N 31 112.854 112.854 114.305 -1.451 18944 1123 1 4 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.738 -0.258 18944 1124 1 4 . 1 1 31 31 TYR CA C 31 56.372 56.372 57.728 -1.356 18944 1125 1 4 . 1 1 31 31 TYR CB C 31 41.159 41.159 38.444 2.715 18944 1126 1 4 . 1 1 31 31 TYR H H 31 7.294 7.294 7.124 0.170 18944 1127 1 4 . 1 1 32 32 LEU N N 32 122.615 122.615 120.459 2.156 18944 1128 1 4 . 1 1 32 32 LEU HA H 32 4.710 4.710 5.045 -0.335 18944 1129 1 4 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.544 -0.642 18944 1130 1 4 . 1 1 32 32 LEU CB C 32 44.626 44.626 46.094 -1.468 18944 1131 1 4 . 1 1 32 32 LEU H H 32 8.426 8.426 8.264 0.162 18944 1132 1 4 . 1 1 33 33 SER N N 33 119.224 119.224 116.362 2.862 18944 1133 1 4 . 1 1 33 33 SER HA H 33 4.583 4.583 4.667 -0.084 18944 1134 1 4 . 1 1 33 33 SER CA C 33 56.483 56.483 57.415 -0.932 18944 1135 1 4 . 1 1 33 33 SER CB C 33 65.258 65.258 65.058 0.200 18944 1136 1 4 . 1 1 33 33 SER H H 33 9.322 9.322 8.867 0.455 18944 1137 1 4 . 1 1 34 34 LEU N N 34 121.601 121.601 122.008 -0.407 18944 1138 1 4 . 1 1 34 34 LEU HA H 34 3.977 3.977 3.987 -0.010 18944 1139 1 4 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.577 0.294 18944 1140 1 4 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.175 0.188 18944 1141 1 4 . 1 1 34 34 LEU H H 34 8.808 8.808 8.697 0.111 18944 1142 1 4 . 1 1 35 35 THR N N 35 113.816 113.816 114.654 -0.838 18944 1143 1 4 . 1 1 35 35 THR HA H 35 3.944 3.944 3.919 0.025 18944 1144 1 4 . 1 1 35 35 THR CA C 35 65.721 65.721 66.375 -0.654 18944 1145 1 4 . 1 1 35 35 THR CB C 35 68.367 68.367 68.579 -0.212 18944 1146 1 4 . 1 1 35 35 THR H H 35 8.104 8.104 7.889 0.215 18944 1147 1 4 . 1 1 36 36 GLU N N 36 123.125 123.125 121.649 1.476 18944 1148 1 4 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.243 -0.266 18944 1149 1 4 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.111 -0.233 18944 1150 1 4 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.403 1.004 18944 1151 1 4 . 1 1 36 36 GLU H H 36 7.691 7.691 7.967 -0.276 18944 1152 1 4 . 1 1 37 37 ARG N N 37 119.258 119.258 119.073 0.185 18944 1153 1 4 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.853 -0.097 18944 1154 1 4 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.430 0.591 18944 1155 1 4 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.155 0.700 18944 1156 1 4 . 1 1 37 37 ARG H H 37 8.726 8.726 8.207 0.519 18944 1157 1 4 . 1 1 38 38 SER N N 38 113.573 113.573 114.295 -0.722 18944 1158 1 4 . 1 1 38 38 SER HA H 38 4.073 4.073 3.965 0.108 18944 1159 1 4 . 1 1 38 38 SER CA C 38 61.865 61.865 60.934 0.931 18944 1160 1 4 . 1 1 38 38 SER CB C 38 62.685 62.685 62.442 0.243 18944 1161 1 4 . 1 1 38 38 SER H H 38 8.039 8.039 7.686 0.353 18944 1162 1 4 . 1 1 39 39 GLN N N 39 121.912 121.912 121.715 0.197 18944 1163 1 4 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.913 0.202 18944 1164 1 4 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.375 -0.290 18944 1165 1 4 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.742 -0.575 18944 1166 1 4 . 1 1 39 39 GLN H H 39 8.033 8.033 7.684 0.349 18944 1167 1 4 . 1 1 40 40 ILE N N 40 121.716 121.716 119.231 2.485 18944 1168 1 4 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.600 0.279 18944 1169 1 4 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.307 -0.946 18944 1170 1 4 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.709 0.420 18944 1171 1 4 . 1 1 40 40 ILE H H 40 8.205 8.205 7.733 0.472 18944 1172 1 4 . 1 1 41 41 ALA N N 41 122.005 122.005 123.353 -1.348 18944 1173 1 4 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.918 -0.255 18944 1174 1 4 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.263 0.684 18944 1175 1 4 . 1 1 41 41 ALA CB C 41 17.516 17.516 17.972 -0.456 18944 1176 1 4 . 1 1 41 41 ALA H H 41 8.301 8.301 7.763 0.538 18944 1177 1 4 . 1 1 42 42 HIS N N 42 114.193 114.193 118.852 -4.659 18944 1178 1 4 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.262 0.132 18944 1179 1 4 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.266 0.383 18944 1180 1 4 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.048 -1.177 18944 1181 1 4 . 1 1 42 42 HIS H H 42 8.091 8.091 8.358 -0.267 18944 1182 1 4 . 1 1 43 43 ALA N N 43 122.121 122.121 123.059 -0.938 18944 1183 1 4 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.126 -0.060 18944 1184 1 4 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.898 -0.042 18944 1185 1 4 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.650 -0.333 18944 1186 1 4 . 1 1 43 43 ALA H H 43 8.167 8.167 8.153 0.014 18944 1187 1 4 . 1 1 44 44 LEU N N 44 114.117 114.117 116.403 -2.286 18944 1188 1 4 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.321 0.006 18944 1189 1 4 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.250 -0.079 18944 1190 1 4 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.089 0.383 18944 1191 1 4 . 1 1 44 44 LEU H H 44 8.037 8.037 7.452 0.585 18944 1192 1 4 . 1 1 45 45 LYS N N 45 117.081 117.081 117.464 -0.383 18944 1193 1 4 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.953 -0.005 18944 1194 1 4 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.877 0.337 18944 1195 1 4 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.046 -1.687 18944 1196 1 4 . 1 1 45 45 LYS H H 45 7.806 7.806 7.488 0.318 18944 1197 1 4 . 1 1 46 46 LEU N N 46 119.781 119.781 119.324 0.457 18944 1198 1 4 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.622 0.157 18944 1199 1 4 . 1 1 46 46 LEU CA C 46 52.375 52.375 52.969 -0.594 18944 1200 1 4 . 1 1 46 46 LEU CB C 46 47.430 47.430 45.506 1.924 18944 1201 1 4 . 1 1 46 46 LEU H H 46 8.393 8.393 8.023 0.370 18944 1202 1 4 . 1 1 47 47 SER N N 47 114.982 114.982 114.050 0.932 18944 1203 1 4 . 1 1 47 47 SER HA H 47 4.772 4.772 4.674 0.098 18944 1204 1 4 . 1 1 47 47 SER CA C 47 56.659 56.659 57.089 -0.430 18944 1205 1 4 . 1 1 47 47 SER CB C 47 64.905 64.905 64.675 0.230 18944 1206 1 4 . 1 1 47 47 SER H H 47 8.817 8.817 8.449 0.368 18944 1207 1 4 . 1 1 48 48 GLU N N 48 122.917 122.917 123.368 -0.451 18944 1208 1 4 . 1 1 48 48 GLU HA H 48 3.663 3.663 3.909 -0.246 18944 1209 1 4 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.011 1.131 18944 1210 1 4 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.230 -0.237 18944 1211 1 4 . 1 1 48 48 GLU H H 48 9.232 9.232 8.992 0.240 18944 1212 1 4 . 1 1 49 49 VAL N N 49 118.250 118.250 119.381 -1.131 18944 1213 1 4 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.803 -0.033 18944 1214 1 4 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.440 -0.747 18944 1215 1 4 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.079 0.741 18944 1216 1 4 . 1 1 49 49 VAL H H 49 8.015 8.015 8.234 -0.219 18944 1217 1 4 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.216 -0.061 18944 1218 1 4 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.495 -0.254 18944 1219 1 4 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.555 0.962 18944 1220 1 4 . 1 1 50 50 GLN H H 50 7.714 7.714 7.675 0.039 18944 1221 1 4 . 1 1 51 51 VAL N N 51 119.155 119.155 119.977 -0.822 18944 1222 1 4 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.808 -0.115 18944 1223 1 4 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.459 0.945 18944 1224 1 4 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.317 0.876 18944 1225 1 4 . 1 1 51 51 VAL H H 51 7.705 7.705 8.290 -0.585 18944 1226 1 4 . 1 1 52 52 LYS N N 52 121.165 121.165 121.184 -0.019 18944 1227 1 4 . 1 1 52 52 LYS HA H 52 4.273 4.273 3.982 0.291 18944 1228 1 4 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.941 -0.095 18944 1229 1 4 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.434 0.761 18944 1230 1 4 . 1 1 52 52 LYS H H 52 8.545 8.545 8.019 0.526 18944 1231 1 4 . 1 1 53 53 ILE N N 53 120.436 120.436 119.298 1.138 18944 1232 1 4 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.760 0.069 18944 1233 1 4 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.265 -1.034 18944 1234 1 4 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.946 0.032 18944 1235 1 4 . 1 1 53 53 ILE H H 53 8.733 8.733 8.409 0.324 18944 1236 1 4 . 1 1 54 54 TRP N N 54 122.076 122.076 121.557 0.519 18944 1237 1 4 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.147 -0.133 18944 1238 1 4 . 1 1 54 54 TRP CA C 54 63.402 63.402 62.066 1.336 18944 1239 1 4 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.686 -0.829 18944 1240 1 4 . 1 1 54 54 TRP H H 54 8.522 8.522 8.543 -0.021 18944 1241 1 4 . 1 1 55 55 PHE N N 55 119.314 119.314 117.120 2.194 18944 1242 1 4 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.224 -0.506 18944 1243 1 4 . 1 1 55 55 PHE CA C 55 63.373 63.373 61.791 1.582 18944 1244 1 4 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.561 0.764 18944 1245 1 4 . 1 1 55 55 PHE H H 55 9.087 9.087 8.855 0.232 18944 1246 1 4 . 1 1 56 56 GLN N N 56 119.067 119.067 120.006 -0.939 18944 1247 1 4 . 1 1 56 56 GLN HA H 56 3.995 3.995 4.010 -0.015 18944 1248 1 4 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.607 -0.129 18944 1249 1 4 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.414 0.114 18944 1250 1 4 . 1 1 56 56 GLN H H 56 8.148 8.148 8.714 -0.566 18944 1251 1 4 . 1 1 57 57 ASN N N 57 119.662 119.662 118.213 1.449 18944 1252 1 4 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.406 -0.052 18944 1253 1 4 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.922 -0.605 18944 1254 1 4 . 1 1 57 57 ASN CB C 57 37.725 37.725 37.877 -0.152 18944 1255 1 4 . 1 1 57 57 ASN H H 57 8.396 8.396 8.144 0.252 18944 1256 1 4 . 1 1 58 58 ARG N N 58 124.411 124.411 120.435 3.976 18944 1257 1 4 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.615 -0.107 18944 1258 1 4 . 1 1 58 58 ARG CA C 58 56.145 56.145 59.133 -2.988 18944 1259 1 4 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.458 -1.501 18944 1260 1 4 . 1 1 58 58 ARG H H 58 8.454 8.454 7.949 0.505 18944 1261 1 4 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.317 0.037 18944 1262 1 4 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.245 1.214 18944 1263 1 4 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.151 1.867 18944 1264 1 4 . 1 1 60 60 ALA N N 60 121.683 121.683 123.069 -1.386 18944 1265 1 4 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.113 0.082 18944 1266 1 4 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.290 -0.344 18944 1267 1 4 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.042 -0.371 18944 1268 1 4 . 1 1 60 60 ALA H H 60 7.524 7.524 8.290 -0.766 18944 1269 1 4 . 1 1 61 61 LYS N N 61 118.243 118.243 119.118 -0.875 18944 1270 1 4 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.948 0.078 18944 1271 1 4 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.260 -0.656 18944 1272 1 4 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.419 0.308 18944 1273 1 4 . 1 1 61 61 LYS H H 61 7.352 7.352 7.516 -0.164 18944 1274 1 4 . 1 1 62 62 TRP N N 62 121.102 121.102 120.828 0.274 18944 1275 1 4 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.299 0.344 18944 1276 1 4 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.130 -2.207 18944 1277 1 4 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.588 -0.002 18944 1278 1 4 . 1 1 62 62 TRP H H 62 7.934 7.934 8.236 -0.302 18944 1279 1 4 . 1 1 63 63 LYS N N 63 118.454 118.454 118.047 0.407 18944 1280 1 4 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.842 -0.185 18944 1281 1 4 . 1 1 63 63 LYS CA C 63 57.708 57.708 58.772 -1.064 18944 1282 1 4 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.824 0.849 18944 1283 1 4 . 1 1 63 63 LYS H H 63 8.328 8.328 8.255 0.073 18944 1284 1 4 . 1 1 64 64 ARG N N 64 119.371 119.371 115.682 3.689 18944 1285 1 4 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.328 -0.234 18944 1286 1 4 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.110 0.465 18944 1287 1 4 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.215 -0.173 18944 1288 1 4 . 1 1 64 64 ARG H H 64 7.605 7.605 7.815 -0.210 18944 1289 1 4 . 1 1 65 65 ILE N N 65 120.717 120.717 118.371 2.346 18944 1290 1 4 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.154 -0.160 18944 1291 1 4 . 1 1 65 65 ILE CA C 65 62.122 62.122 61.657 0.465 18944 1292 1 4 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.734 -1.534 18944 1293 1 4 . 1 1 65 65 ILE H H 65 7.933 7.933 7.390 0.543 18944 1294 1 4 . 1 1 66 66 LYS N N 66 123.684 123.684 122.946 0.738 18944 1295 1 4 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.026 0.114 18944 1296 1 4 . 1 1 66 66 LYS CA C 66 56.691 56.691 57.309 -0.618 18944 1297 1 4 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.013 0.343 18944 1298 1 4 . 1 1 66 66 LYS H H 66 8.180 8.180 8.024 0.155 18944 1299 1 4 . 1 1 67 67 ALA N N 67 123.678 123.678 127.984 -4.306 18944 1300 1 4 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.377 -0.103 18944 1301 1 4 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.347 0.201 18944 1302 1 4 . 1 1 67 67 ALA CB C 67 19.080 19.080 18.833 0.247 18944 1303 1 4 . 1 1 67 67 ALA H H 67 7.959 7.959 8.426 -0.467 18944 1304 1 4 . 1 1 68 68 GLY N N 68 107.345 107.345 110.446 -3.101 18944 1305 1 4 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.014 0.260 18944 1306 1 4 . 1 1 68 68 GLY H H 68 8.157 8.157 8.683 -0.526 18944 1307 1 4 . 1 1 69 69 ASN N N 69 118.854 118.854 118.777 0.077 18944 1308 1 4 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.811 -0.054 18944 1309 1 4 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.930 0.136 18944 1310 1 4 . 1 1 69 69 ASN CB C 69 38.948 38.948 40.247 -1.299 18944 1311 1 4 . 1 1 69 69 ASN H H 69 8.230 8.230 8.073 0.157 18944 1312 1 4 . 1 1 70 70 VAL N N 70 119.499 119.499 122.208 -2.709 18944 1313 1 4 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.265 -0.059 18944 1314 1 4 . 1 1 70 70 VAL CA C 70 62.062 62.062 61.987 0.075 18944 1315 1 4 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.021 0.783 18944 1316 1 4 . 1 1 70 70 VAL H H 70 8.109 8.109 8.437 -0.328 18944 1317 1 5 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.498 -0.058 18944 1318 1 5 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.718 0.583 18944 1319 1 5 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.703 -0.832 18944 1320 1 5 . 1 1 4 4 GLY N N 4 109.613 109.613 107.537 2.076 18944 1321 1 5 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.748 0.496 18944 1322 1 5 . 1 1 4 4 GLY H H 4 8.536 8.536 8.181 0.355 18944 1323 1 5 . 1 1 5 5 GLY N N 5 108.797 108.797 107.074 1.723 18944 1324 1 5 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.920 0.332 18944 1325 1 5 . 1 1 5 5 GLY H H 5 8.298 8.298 8.351 -0.053 18944 1326 1 5 . 1 1 6 6 LYS N N 6 120.988 120.988 117.923 3.065 18944 1327 1 5 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.566 -0.619 18944 1328 1 5 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.706 1.552 18944 1329 1 5 . 1 1 6 6 LYS CB C 6 32.910 32.910 33.862 -0.952 18944 1330 1 5 . 1 1 6 6 LYS H H 6 8.313 8.313 8.081 0.232 18944 1331 1 5 . 1 1 7 7 SER N N 7 116.912 116.912 115.160 1.752 18944 1332 1 5 . 1 1 7 7 SER HA H 7 4.420 4.420 4.658 -0.238 18944 1333 1 5 . 1 1 7 7 SER CA C 7 58.338 58.338 58.280 0.058 18944 1334 1 5 . 1 1 7 7 SER CB C 7 63.540 63.540 63.905 -0.365 18944 1335 1 5 . 1 1 7 7 SER H H 7 8.345 8.345 8.491 -0.146 18944 1336 1 5 . 1 1 8 8 ARG N N 8 123.496 123.496 120.989 2.507 18944 1337 1 5 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.648 -0.309 18944 1338 1 5 . 1 1 8 8 ARG CA C 8 56.038 56.038 55.886 0.152 18944 1339 1 5 . 1 1 8 8 ARG CB C 8 30.596 30.596 31.751 -1.155 18944 1340 1 5 . 1 1 8 8 ARG H H 8 8.410 8.410 7.626 0.784 18944 1341 1 5 . 1 1 9 9 ARG N N 9 122.569 122.569 121.284 1.285 18944 1342 1 5 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.415 -0.107 18944 1343 1 5 . 1 1 9 9 ARG CA C 9 55.979 55.979 56.554 -0.575 18944 1344 1 5 . 1 1 9 9 ARG CB C 9 30.700 30.700 31.508 -0.808 18944 1345 1 5 . 1 1 9 9 ARG H H 9 8.340 8.340 8.651 -0.311 18944 1346 1 5 . 1 1 10 10 ARG N N 10 123.464 123.464 118.621 4.843 18944 1347 1 5 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.078 0.250 18944 1348 1 5 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.132 -1.206 18944 1349 1 5 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.507 2.314 18944 1350 1 5 . 1 1 10 10 ARG H H 10 8.457 8.457 8.532 -0.075 18944 1351 1 5 . 1 1 11 11 ARG N N 11 123.477 123.477 117.614 5.863 18944 1352 1 5 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.637 -0.248 18944 1353 1 5 . 1 1 11 11 ARG CA C 11 55.969 55.969 54.577 1.392 18944 1354 1 5 . 1 1 11 11 ARG CB C 11 30.839 30.839 33.401 -2.562 18944 1355 1 5 . 1 1 11 11 ARG H H 11 8.540 8.540 8.057 0.483 18944 1356 1 5 . 1 1 12 12 THR N N 12 116.338 116.338 114.087 2.251 18944 1357 1 5 . 1 1 12 12 THR HA H 12 4.289 4.289 4.126 0.163 18944 1358 1 5 . 1 1 12 12 THR CA C 12 61.393 61.393 62.988 -1.595 18944 1359 1 5 . 1 1 12 12 THR CB C 12 69.660 69.660 69.146 0.514 18944 1360 1 5 . 1 1 12 12 THR H H 12 8.249 8.249 8.232 0.017 18944 1361 1 5 . 1 1 13 13 ALA N N 13 127.182 127.182 123.428 3.754 18944 1362 1 5 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.080 0.225 18944 1363 1 5 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.516 -1.492 18944 1364 1 5 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.359 0.295 18944 1365 1 5 . 1 1 13 13 ALA H H 13 8.275 8.275 8.500 -0.225 18944 1366 1 5 . 1 1 14 14 PHE N N 14 118.661 118.661 114.586 4.075 18944 1367 1 5 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.025 -0.062 18944 1368 1 5 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.162 1.096 18944 1369 1 5 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.036 -1.317 18944 1370 1 5 . 1 1 14 14 PHE H H 14 8.060 8.060 7.579 0.481 18944 1371 1 5 . 1 1 15 15 THR N N 15 113.672 113.672 112.941 0.731 18944 1372 1 5 . 1 1 15 15 THR HA H 15 4.522 4.522 4.842 -0.320 18944 1373 1 5 . 1 1 15 15 THR CA C 15 60.272 60.272 59.989 0.283 18944 1374 1 5 . 1 1 15 15 THR CB C 15 70.919 70.919 70.701 0.218 18944 1375 1 5 . 1 1 15 15 THR H H 15 9.139 9.139 8.865 0.274 18944 1376 1 5 . 1 1 16 16 SER N N 16 116.722 116.722 116.155 0.567 18944 1377 1 5 . 1 1 16 16 SER HA H 16 3.934 3.934 4.078 -0.144 18944 1378 1 5 . 1 1 16 16 SER CA C 16 62.071 62.071 62.040 0.031 18944 1379 1 5 . 1 1 16 16 SER CB C 16 61.814 61.814 62.638 -0.824 18944 1380 1 5 . 1 1 16 16 SER H H 16 9.094 9.094 8.753 0.341 18944 1381 1 5 . 1 1 17 17 GLU N N 17 120.784 120.784 121.624 -0.840 18944 1382 1 5 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.048 -0.026 18944 1383 1 5 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.708 0.419 18944 1384 1 5 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.425 -0.317 18944 1385 1 5 . 1 1 17 17 GLU H H 17 8.673 8.673 8.455 0.218 18944 1386 1 5 . 1 1 18 18 GLN N N 18 118.707 118.707 119.251 -0.544 18944 1387 1 5 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.042 -0.233 18944 1388 1 5 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.890 0.071 18944 1389 1 5 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.986 -1.006 18944 1390 1 5 . 1 1 18 18 GLN H H 18 7.748 7.748 7.605 0.143 18944 1391 1 5 . 1 1 19 19 LEU N N 19 117.129 117.129 119.060 -1.931 18944 1392 1 5 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.726 -0.097 18944 1393 1 5 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.136 0.659 18944 1394 1 5 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.629 -0.018 18944 1395 1 5 . 1 1 19 19 LEU H H 19 8.109 8.109 8.504 -0.395 18944 1396 1 5 . 1 1 20 20 LEU N N 20 119.459 119.459 120.277 -0.818 18944 1397 1 5 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.021 -0.019 18944 1398 1 5 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.794 0.209 18944 1399 1 5 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.068 -0.110 18944 1400 1 5 . 1 1 20 20 LEU H H 20 7.948 7.948 7.341 0.607 18944 1401 1 5 . 1 1 21 21 GLU N N 21 118.593 118.593 118.019 0.574 18944 1402 1 5 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.119 -0.033 18944 1403 1 5 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.685 -0.255 18944 1404 1 5 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.583 0.089 18944 1405 1 5 . 1 1 21 21 GLU H H 21 7.564 7.564 7.708 -0.144 18944 1406 1 5 . 1 1 22 22 LEU N N 22 122.405 122.405 119.413 2.992 18944 1407 1 5 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.990 -0.474 18944 1408 1 5 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.629 0.600 18944 1409 1 5 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.819 -2.823 18944 1410 1 5 . 1 1 22 22 LEU H H 22 8.148 8.148 7.909 0.239 18944 1411 1 5 . 1 1 23 23 GLU N N 23 118.202 118.202 117.703 0.499 18944 1412 1 5 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.282 0.000 18944 1413 1 5 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.694 0.122 18944 1414 1 5 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.062 -0.108 18944 1415 1 5 . 1 1 23 23 GLU H H 23 7.853 7.853 7.643 0.210 18944 1416 1 5 . 1 1 24 24 LYS N N 24 120.955 120.955 121.308 -0.353 18944 1417 1 5 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.083 -0.057 18944 1418 1 5 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.701 0.153 18944 1419 1 5 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.424 -0.134 18944 1420 1 5 . 1 1 24 24 LYS H H 24 7.828 7.828 7.455 0.373 18944 1421 1 5 . 1 1 25 25 GLU N N 25 120.791 120.791 117.525 3.266 18944 1422 1 5 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.281 -0.022 18944 1423 1 5 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.258 0.462 18944 1424 1 5 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.656 -1.081 18944 1425 1 5 . 1 1 25 25 GLU H H 25 8.153 8.153 7.913 0.240 18944 1426 1 5 . 1 1 26 26 PHE N N 26 115.094 115.094 117.174 -2.080 18944 1427 1 5 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.749 -0.257 18944 1428 1 5 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.200 -1.754 18944 1429 1 5 . 1 1 26 26 PHE CB C 26 41.822 41.822 40.167 1.655 18944 1430 1 5 . 1 1 26 26 PHE H H 26 7.404 7.404 7.456 -0.052 18944 1431 1 5 . 1 1 27 27 HIS N N 27 115.592 115.592 120.861 -5.269 18944 1432 1 5 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.427 -0.374 18944 1433 1 5 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.216 -1.726 18944 1434 1 5 . 1 1 27 27 HIS CB C 27 28.830 28.830 31.398 -2.568 18944 1435 1 5 . 1 1 27 27 HIS H H 27 8.057 8.057 8.487 -0.430 18944 1436 1 5 . 1 1 28 28 CYS N N 28 116.364 116.364 116.286 0.078 18944 1437 1 5 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.110 -0.085 18944 1438 1 5 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.652 -2.029 18944 1439 1 5 . 1 1 28 28 CYS CB C 28 29.921 29.921 27.552 2.369 18944 1440 1 5 . 1 1 28 28 CYS H H 28 7.972 7.972 8.288 -0.316 18944 1441 1 5 . 1 1 29 29 LYS N N 29 122.054 122.054 118.953 3.101 18944 1442 1 5 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.123 0.177 18944 1443 1 5 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.343 -0.102 18944 1444 1 5 . 1 1 29 29 LYS CB C 29 35.189 35.189 33.158 2.031 18944 1445 1 5 . 1 1 29 29 LYS H H 29 8.521 8.521 7.936 0.585 18944 1446 1 5 . 1 1 30 30 LYS N N 30 118.250 118.250 116.165 2.085 18944 1447 1 5 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.704 -0.001 18944 1448 1 5 . 1 1 30 30 LYS CA C 30 55.817 55.817 55.339 0.478 18944 1449 1 5 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.585 -0.131 18944 1450 1 5 . 1 1 30 30 LYS H H 30 7.830 7.830 8.060 -0.230 18944 1451 1 5 . 1 1 31 31 TYR N N 31 112.854 112.854 114.458 -1.604 18944 1452 1 5 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.940 -0.460 18944 1453 1 5 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.531 -0.159 18944 1454 1 5 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.401 1.758 18944 1455 1 5 . 1 1 31 31 TYR H H 31 7.294 7.294 7.141 0.153 18944 1456 1 5 . 1 1 32 32 LEU N N 32 122.615 122.615 121.257 1.358 18944 1457 1 5 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.612 0.098 18944 1458 1 5 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.844 -0.942 18944 1459 1 5 . 1 1 32 32 LEU CB C 32 44.626 44.626 44.934 -0.308 18944 1460 1 5 . 1 1 32 32 LEU H H 32 8.426 8.426 8.281 0.145 18944 1461 1 5 . 1 1 33 33 SER N N 33 119.224 119.224 116.350 2.874 18944 1462 1 5 . 1 1 33 33 SER HA H 33 4.583 4.583 4.519 0.064 18944 1463 1 5 . 1 1 33 33 SER CA C 33 56.483 56.483 57.309 -0.826 18944 1464 1 5 . 1 1 33 33 SER CB C 33 65.258 65.258 64.596 0.662 18944 1465 1 5 . 1 1 33 33 SER H H 33 9.322 9.322 8.429 0.893 18944 1466 1 5 . 1 1 34 34 LEU N N 34 121.601 121.601 122.668 -1.067 18944 1467 1 5 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.080 -0.103 18944 1468 1 5 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.003 0.868 18944 1469 1 5 . 1 1 34 34 LEU CB C 34 41.363 41.363 42.081 -0.718 18944 1470 1 5 . 1 1 34 34 LEU H H 34 8.808 8.808 8.692 0.116 18944 1471 1 5 . 1 1 35 35 THR N N 35 113.816 113.816 113.670 0.146 18944 1472 1 5 . 1 1 35 35 THR HA H 35 3.944 3.944 3.937 0.007 18944 1473 1 5 . 1 1 35 35 THR CA C 35 65.721 65.721 66.538 -0.817 18944 1474 1 5 . 1 1 35 35 THR CB C 35 68.367 68.367 67.912 0.455 18944 1475 1 5 . 1 1 35 35 THR H H 35 8.104 8.104 8.358 -0.254 18944 1476 1 5 . 1 1 36 36 GLU N N 36 123.125 123.125 121.470 1.655 18944 1477 1 5 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.004 -0.027 18944 1478 1 5 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.767 -0.889 18944 1479 1 5 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.873 1.534 18944 1480 1 5 . 1 1 36 36 GLU H H 36 7.691 7.691 8.548 -0.857 18944 1481 1 5 . 1 1 37 37 ARG N N 37 119.258 119.258 119.159 0.099 18944 1482 1 5 . 1 1 37 37 ARG HA H 37 3.756 3.756 4.034 -0.278 18944 1483 1 5 . 1 1 37 37 ARG CA C 37 60.021 60.021 58.987 1.034 18944 1484 1 5 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.100 0.755 18944 1485 1 5 . 1 1 37 37 ARG H H 37 8.726 8.726 8.008 0.718 18944 1486 1 5 . 1 1 38 38 SER N N 38 113.573 113.573 115.908 -2.335 18944 1487 1 5 . 1 1 38 38 SER HA H 38 4.073 4.073 4.147 -0.074 18944 1488 1 5 . 1 1 38 38 SER CA C 38 61.865 61.865 61.695 0.170 18944 1489 1 5 . 1 1 38 38 SER CB C 38 62.685 62.685 62.744 -0.059 18944 1490 1 5 . 1 1 38 38 SER H H 38 8.039 8.039 7.795 0.244 18944 1491 1 5 . 1 1 39 39 GLN N N 39 121.912 121.912 120.222 1.690 18944 1492 1 5 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.958 0.157 18944 1493 1 5 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.691 0.394 18944 1494 1 5 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.372 -0.205 18944 1495 1 5 . 1 1 39 39 GLN H H 39 8.033 8.033 7.864 0.169 18944 1496 1 5 . 1 1 40 40 ILE N N 40 121.716 121.716 119.946 1.770 18944 1497 1 5 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.623 0.256 18944 1498 1 5 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.327 -0.966 18944 1499 1 5 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.558 0.571 18944 1500 1 5 . 1 1 40 40 ILE H H 40 8.205 8.205 8.530 -0.325 18944 1501 1 5 . 1 1 41 41 ALA N N 41 122.005 122.005 122.853 -0.848 18944 1502 1 5 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.933 -0.270 18944 1503 1 5 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.316 0.631 18944 1504 1 5 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.111 -0.595 18944 1505 1 5 . 1 1 41 41 ALA H H 41 8.301 8.301 7.870 0.431 18944 1506 1 5 . 1 1 42 42 HIS N N 42 114.193 114.193 117.907 -3.714 18944 1507 1 5 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.256 0.138 18944 1508 1 5 . 1 1 42 42 HIS CA C 42 58.649 58.649 59.215 -0.566 18944 1509 1 5 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.025 -1.154 18944 1510 1 5 . 1 1 42 42 HIS H H 42 8.091 8.091 8.467 -0.376 18944 1511 1 5 . 1 1 43 43 ALA N N 43 122.121 122.121 121.937 0.184 18944 1512 1 5 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.219 -0.153 18944 1513 1 5 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.552 0.304 18944 1514 1 5 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.993 -0.676 18944 1515 1 5 . 1 1 43 43 ALA H H 43 8.167 8.167 8.420 -0.253 18944 1516 1 5 . 1 1 44 44 LEU N N 44 114.117 114.117 115.912 -1.795 18944 1517 1 5 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.515 -0.188 18944 1518 1 5 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.130 0.041 18944 1519 1 5 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.867 -0.395 18944 1520 1 5 . 1 1 44 44 LEU H H 44 8.037 8.037 7.753 0.284 18944 1521 1 5 . 1 1 45 45 LYS N N 45 117.081 117.081 118.236 -1.155 18944 1522 1 5 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.973 -0.025 18944 1523 1 5 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.991 0.223 18944 1524 1 5 . 1 1 45 45 LYS CB C 45 28.359 28.359 29.845 -1.486 18944 1525 1 5 . 1 1 45 45 LYS H H 45 7.806 7.806 7.779 0.027 18944 1526 1 5 . 1 1 46 46 LEU N N 46 119.781 119.781 119.790 -0.009 18944 1527 1 5 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.835 -0.056 18944 1528 1 5 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.246 -0.871 18944 1529 1 5 . 1 1 46 46 LEU CB C 46 47.430 47.430 45.612 1.818 18944 1530 1 5 . 1 1 46 46 LEU H H 46 8.393 8.393 8.172 0.221 18944 1531 1 5 . 1 1 47 47 SER N N 47 114.982 114.982 112.636 2.346 18944 1532 1 5 . 1 1 47 47 SER HA H 47 4.772 4.772 4.733 0.039 18944 1533 1 5 . 1 1 47 47 SER CA C 47 56.659 56.659 56.167 0.492 18944 1534 1 5 . 1 1 47 47 SER CB C 47 64.905 64.905 66.013 -1.108 18944 1535 1 5 . 1 1 47 47 SER H H 47 8.817 8.817 8.230 0.587 18944 1536 1 5 . 1 1 48 48 GLU N N 48 122.917 122.917 123.019 -0.102 18944 1537 1 5 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.056 -0.393 18944 1538 1 5 . 1 1 48 48 GLU CA C 48 61.142 61.142 59.985 1.157 18944 1539 1 5 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.392 -0.399 18944 1540 1 5 . 1 1 48 48 GLU H H 48 9.232 9.232 8.901 0.331 18944 1541 1 5 . 1 1 49 49 VAL N N 49 118.250 118.250 119.748 -1.498 18944 1542 1 5 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.823 -0.053 18944 1543 1 5 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.473 -0.780 18944 1544 1 5 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.093 0.727 18944 1545 1 5 . 1 1 49 49 VAL H H 49 8.015 8.015 8.215 -0.200 18944 1546 1 5 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.182 -0.027 18944 1547 1 5 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.193 0.048 18944 1548 1 5 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.350 1.167 18944 1549 1 5 . 1 1 50 50 GLN H H 50 7.714 7.714 7.765 -0.051 18944 1550 1 5 . 1 1 51 51 VAL N N 51 119.155 119.155 120.050 -0.895 18944 1551 1 5 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.946 -0.253 18944 1552 1 5 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.304 1.100 18944 1553 1 5 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.037 1.156 18944 1554 1 5 . 1 1 51 51 VAL H H 51 7.705 7.705 8.333 -0.628 18944 1555 1 5 . 1 1 52 52 LYS N N 52 121.165 121.165 121.155 0.010 18944 1556 1 5 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.111 0.162 18944 1557 1 5 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.096 -0.250 18944 1558 1 5 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.459 0.736 18944 1559 1 5 . 1 1 52 52 LYS H H 52 8.545 8.545 7.992 0.553 18944 1560 1 5 . 1 1 53 53 ILE N N 53 120.436 120.436 119.031 1.405 18944 1561 1 5 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.764 0.065 18944 1562 1 5 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.189 -0.958 18944 1563 1 5 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.851 0.127 18944 1564 1 5 . 1 1 53 53 ILE H H 53 8.733 8.733 8.559 0.174 18944 1565 1 5 . 1 1 54 54 TRP N N 54 122.076 122.076 121.648 0.428 18944 1566 1 5 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.030 -0.016 18944 1567 1 5 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.892 1.510 18944 1568 1 5 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.372 -0.515 18944 1569 1 5 . 1 1 54 54 TRP H H 54 8.522 8.522 7.840 0.682 18944 1570 1 5 . 1 1 55 55 PHE N N 55 119.314 119.314 117.979 1.335 18944 1571 1 5 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.923 -0.205 18944 1572 1 5 . 1 1 55 55 PHE CA C 55 63.373 63.373 63.114 0.259 18944 1573 1 5 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.772 0.553 18944 1574 1 5 . 1 1 55 55 PHE H H 55 9.087 9.087 8.949 0.138 18944 1575 1 5 . 1 1 56 56 GLN N N 56 119.067 119.067 118.900 0.167 18944 1576 1 5 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.969 0.026 18944 1577 1 5 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.440 0.038 18944 1578 1 5 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.499 0.029 18944 1579 1 5 . 1 1 56 56 GLN H H 56 8.148 8.148 8.603 -0.455 18944 1580 1 5 . 1 1 57 57 ASN N N 57 119.662 119.662 118.068 1.594 18944 1581 1 5 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.419 -0.065 18944 1582 1 5 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.800 -0.483 18944 1583 1 5 . 1 1 57 57 ASN CB C 57 37.725 37.725 37.935 -0.210 18944 1584 1 5 . 1 1 57 57 ASN H H 57 8.396 8.396 8.210 0.186 18944 1585 1 5 . 1 1 58 58 ARG N N 58 124.411 124.411 120.248 4.163 18944 1586 1 5 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.640 -0.132 18944 1587 1 5 . 1 1 58 58 ARG CA C 58 56.145 56.145 57.842 -1.697 18944 1588 1 5 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.862 -0.905 18944 1589 1 5 . 1 1 58 58 ARG H H 58 8.454 8.454 8.150 0.304 18944 1590 1 5 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.357 -0.003 18944 1591 1 5 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.533 0.926 18944 1592 1 5 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.054 1.964 18944 1593 1 5 . 1 1 60 60 ALA N N 60 121.683 121.683 122.521 -0.838 18944 1594 1 5 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.130 0.065 18944 1595 1 5 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.206 -0.260 18944 1596 1 5 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.067 -0.396 18944 1597 1 5 . 1 1 60 60 ALA H H 60 7.524 7.524 7.746 -0.222 18944 1598 1 5 . 1 1 61 61 LYS N N 61 118.243 118.243 118.540 -0.297 18944 1599 1 5 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.959 0.067 18944 1600 1 5 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.117 -0.513 18944 1601 1 5 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.389 0.338 18944 1602 1 5 . 1 1 61 61 LYS H H 61 7.352 7.352 7.505 -0.153 18944 1603 1 5 . 1 1 62 62 TRP N N 62 121.102 121.102 120.307 0.795 18944 1604 1 5 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.378 0.265 18944 1605 1 5 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.398 -1.475 18944 1606 1 5 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.915 -0.329 18944 1607 1 5 . 1 1 62 62 TRP H H 62 7.934 7.934 8.033 -0.099 18944 1608 1 5 . 1 1 63 63 LYS N N 63 118.454 118.454 118.033 0.421 18944 1609 1 5 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.672 -0.015 18944 1610 1 5 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.509 -1.801 18944 1611 1 5 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.931 0.742 18944 1612 1 5 . 1 1 63 63 LYS H H 63 8.328 8.328 8.216 0.112 18944 1613 1 5 . 1 1 64 64 ARG N N 64 119.371 119.371 115.355 4.016 18944 1614 1 5 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.195 -0.101 18944 1615 1 5 . 1 1 64 64 ARG CA C 64 57.575 57.575 56.413 1.162 18944 1616 1 5 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.561 0.481 18944 1617 1 5 . 1 1 64 64 ARG H H 64 7.605 7.605 7.547 0.058 18944 1618 1 5 . 1 1 65 65 ILE N N 65 120.717 120.717 116.320 4.397 18944 1619 1 5 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.163 -0.169 18944 1620 1 5 . 1 1 65 65 ILE CA C 65 62.122 62.122 61.632 0.490 18944 1621 1 5 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.542 -1.342 18944 1622 1 5 . 1 1 65 65 ILE H H 65 7.933 7.933 7.750 0.183 18944 1623 1 5 . 1 1 66 66 LYS N N 66 123.684 123.684 121.721 1.963 18944 1624 1 5 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.952 0.188 18944 1625 1 5 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.764 -2.072 18944 1626 1 5 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.751 -0.395 18944 1627 1 5 . 1 1 66 66 LYS H H 66 8.180 8.180 8.035 0.145 18944 1628 1 5 . 1 1 67 67 ALA N N 67 123.678 123.678 117.266 6.412 18944 1629 1 5 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.464 -0.190 18944 1630 1 5 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.782 0.766 18944 1631 1 5 . 1 1 67 67 ALA CB C 67 19.080 19.080 20.890 -1.810 18944 1632 1 5 . 1 1 67 67 ALA H H 67 7.959 7.959 7.481 0.478 18944 1633 1 5 . 1 1 68 68 GLY N N 68 107.345 107.345 109.087 -1.742 18944 1634 1 5 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.072 0.202 18944 1635 1 5 . 1 1 68 68 GLY H H 68 8.157 8.157 7.977 0.180 18944 1636 1 5 . 1 1 69 69 ASN N N 69 118.854 118.854 121.955 -3.101 18944 1637 1 5 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.880 -0.123 18944 1638 1 5 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.296 0.770 18944 1639 1 5 . 1 1 69 69 ASN CB C 69 38.948 38.948 40.760 -1.812 18944 1640 1 5 . 1 1 69 69 ASN H H 69 8.230 8.230 7.839 0.391 18944 1641 1 5 . 1 1 70 70 VAL N N 70 119.499 119.499 124.118 -4.619 18944 1642 1 5 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.958 0.248 18944 1643 1 5 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.319 -1.258 18944 1644 1 5 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.781 1.023 18944 1645 1 5 . 1 1 70 70 VAL H H 70 8.109 8.109 8.301 -0.192 18944 1646 1 6 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.480 -0.040 18944 1647 1 6 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.943 0.358 18944 1648 1 6 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.389 -0.519 18944 1649 1 6 . 1 1 4 4 GLY N N 4 109.613 109.613 114.933 -5.320 18944 1650 1 6 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.326 -0.082 18944 1651 1 6 . 1 1 4 4 GLY H H 4 8.536 8.536 8.737 -0.201 18944 1652 1 6 . 1 1 5 5 GLY N N 5 108.797 108.797 108.948 -0.151 18944 1653 1 6 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.356 -0.104 18944 1654 1 6 . 1 1 5 5 GLY H H 5 8.298 8.298 7.878 0.420 18944 1655 1 6 . 1 1 6 6 LYS N N 6 120.988 120.988 118.791 2.197 18944 1656 1 6 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.559 -0.612 18944 1657 1 6 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.745 0.513 18944 1658 1 6 . 1 1 6 6 LYS CB C 6 32.910 32.910 33.598 -0.688 18944 1659 1 6 . 1 1 6 6 LYS H H 6 8.313 8.313 8.158 0.155 18944 1660 1 6 . 1 1 7 7 SER N N 7 116.912 116.912 116.284 0.628 18944 1661 1 6 . 1 1 7 7 SER HA H 7 4.420 4.420 4.539 -0.119 18944 1662 1 6 . 1 1 7 7 SER CA C 7 58.338 58.338 58.701 -0.363 18944 1663 1 6 . 1 1 7 7 SER CB C 7 63.540 63.540 63.983 -0.443 18944 1664 1 6 . 1 1 7 7 SER H H 7 8.345 8.345 7.957 0.388 18944 1665 1 6 . 1 1 8 8 ARG N N 8 123.496 123.496 120.582 2.914 18944 1666 1 6 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.034 0.305 18944 1667 1 6 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.504 -1.466 18944 1668 1 6 . 1 1 8 8 ARG CB C 8 30.596 30.596 27.984 2.612 18944 1669 1 6 . 1 1 8 8 ARG H H 8 8.410 8.410 8.599 -0.189 18944 1670 1 6 . 1 1 9 9 ARG N N 9 122.569 122.569 113.562 9.007 18944 1671 1 6 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.685 -0.377 18944 1672 1 6 . 1 1 9 9 ARG CA C 9 55.979 55.979 54.041 1.938 18944 1673 1 6 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.715 -2.015 18944 1674 1 6 . 1 1 9 9 ARG H H 9 8.340 8.340 7.893 0.447 18944 1675 1 6 . 1 1 10 10 ARG N N 10 123.464 123.464 122.215 1.249 18944 1676 1 6 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.176 0.152 18944 1677 1 6 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.323 -1.397 18944 1678 1 6 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.677 2.144 18944 1679 1 6 . 1 1 10 10 ARG H H 10 8.457 8.457 8.690 -0.233 18944 1680 1 6 . 1 1 11 11 ARG N N 11 123.477 123.477 122.328 1.149 18944 1681 1 6 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.406 -0.017 18944 1682 1 6 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.568 -0.599 18944 1683 1 6 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.593 -0.753 18944 1684 1 6 . 1 1 11 11 ARG H H 11 8.540 8.540 8.636 -0.096 18944 1685 1 6 . 1 1 12 12 THR N N 12 116.338 116.338 112.108 4.230 18944 1686 1 6 . 1 1 12 12 THR HA H 12 4.289 4.289 4.587 -0.298 18944 1687 1 6 . 1 1 12 12 THR CA C 12 61.393 61.393 61.390 0.003 18944 1688 1 6 . 1 1 12 12 THR CB C 12 69.660 69.660 70.050 -0.390 18944 1689 1 6 . 1 1 12 12 THR H H 12 8.249 8.249 7.434 0.815 18944 1690 1 6 . 1 1 13 13 ALA N N 13 127.182 127.182 123.588 3.594 18944 1691 1 6 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.064 0.241 18944 1692 1 6 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.725 -1.701 18944 1693 1 6 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.883 0.771 18944 1694 1 6 . 1 1 13 13 ALA H H 13 8.275 8.275 8.382 -0.107 18944 1695 1 6 . 1 1 14 14 PHE N N 14 118.661 118.661 115.755 2.906 18944 1696 1 6 . 1 1 14 14 PHE HA H 14 4.963 4.963 4.720 0.243 18944 1697 1 6 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.171 0.087 18944 1698 1 6 . 1 1 14 14 PHE CB C 14 40.719 40.719 40.891 -0.172 18944 1699 1 6 . 1 1 14 14 PHE H H 14 8.060 8.060 7.618 0.442 18944 1700 1 6 . 1 1 15 15 THR N N 15 113.672 113.672 112.866 0.806 18944 1701 1 6 . 1 1 15 15 THR HA H 15 4.522 4.522 4.915 -0.393 18944 1702 1 6 . 1 1 15 15 THR CA C 15 60.272 60.272 60.043 0.229 18944 1703 1 6 . 1 1 15 15 THR CB C 15 70.919 70.919 70.469 0.450 18944 1704 1 6 . 1 1 15 15 THR H H 15 9.139 9.139 9.002 0.137 18944 1705 1 6 . 1 1 16 16 SER N N 16 116.722 116.722 114.743 1.979 18944 1706 1 6 . 1 1 16 16 SER HA H 16 3.934 3.934 4.258 -0.324 18944 1707 1 6 . 1 1 16 16 SER CA C 16 62.071 62.071 61.329 0.742 18944 1708 1 6 . 1 1 16 16 SER CB C 16 61.814 61.814 62.853 -1.039 18944 1709 1 6 . 1 1 16 16 SER H H 16 9.094 9.094 8.709 0.385 18944 1710 1 6 . 1 1 17 17 GLU N N 17 120.784 120.784 122.977 -2.193 18944 1711 1 6 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.013 0.009 18944 1712 1 6 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.684 0.444 18944 1713 1 6 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.343 -0.235 18944 1714 1 6 . 1 1 17 17 GLU H H 17 8.673 8.673 7.667 1.006 18944 1715 1 6 . 1 1 18 18 GLN N N 18 118.707 118.707 119.393 -0.686 18944 1716 1 6 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.936 -0.127 18944 1717 1 6 . 1 1 18 18 GLN CA C 18 58.961 58.961 59.662 -0.701 18944 1718 1 6 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.823 -0.843 18944 1719 1 6 . 1 1 18 18 GLN H H 18 7.748 7.748 7.716 0.032 18944 1720 1 6 . 1 1 19 19 LEU N N 19 117.129 117.129 117.872 -0.743 18944 1721 1 6 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.994 -0.365 18944 1722 1 6 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.496 1.299 18944 1723 1 6 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.658 -0.047 18944 1724 1 6 . 1 1 19 19 LEU H H 19 8.109 8.109 8.062 0.047 18944 1725 1 6 . 1 1 20 20 LEU N N 20 119.459 119.459 122.145 -2.686 18944 1726 1 6 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.103 -0.101 18944 1727 1 6 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.446 0.557 18944 1728 1 6 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.076 -0.118 18944 1729 1 6 . 1 1 20 20 LEU H H 20 7.948 7.948 7.421 0.527 18944 1730 1 6 . 1 1 21 21 GLU N N 21 118.593 118.593 117.468 1.125 18944 1731 1 6 . 1 1 21 21 GLU HA H 21 4.086 4.086 3.998 0.088 18944 1732 1 6 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.038 -0.608 18944 1733 1 6 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.662 0.010 18944 1734 1 6 . 1 1 21 21 GLU H H 21 7.564 7.564 8.296 -0.732 18944 1735 1 6 . 1 1 22 22 LEU N N 22 122.405 122.405 118.017 4.388 18944 1736 1 6 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.949 -0.433 18944 1737 1 6 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.134 1.095 18944 1738 1 6 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.234 -3.238 18944 1739 1 6 . 1 1 22 22 LEU H H 22 8.148 8.148 8.101 0.047 18944 1740 1 6 . 1 1 23 23 GLU N N 23 118.202 118.202 119.170 -0.968 18944 1741 1 6 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.204 0.078 18944 1742 1 6 . 1 1 23 23 GLU CA C 23 58.816 58.816 59.031 -0.215 18944 1743 1 6 . 1 1 23 23 GLU CB C 23 28.954 28.954 28.704 0.250 18944 1744 1 6 . 1 1 23 23 GLU H H 23 7.853 7.853 8.265 -0.412 18944 1745 1 6 . 1 1 24 24 LYS N N 24 120.955 120.955 120.278 0.677 18944 1746 1 6 . 1 1 24 24 LYS HA H 24 4.026 4.026 3.956 0.070 18944 1747 1 6 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.597 0.257 18944 1748 1 6 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.226 0.064 18944 1749 1 6 . 1 1 24 24 LYS H H 24 7.828 7.828 7.923 -0.095 18944 1750 1 6 . 1 1 25 25 GLU N N 25 120.791 120.791 119.529 1.262 18944 1751 1 6 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.130 0.129 18944 1752 1 6 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.994 -0.274 18944 1753 1 6 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.012 -0.437 18944 1754 1 6 . 1 1 25 25 GLU H H 25 8.153 8.153 8.234 -0.081 18944 1755 1 6 . 1 1 26 26 PHE N N 26 115.094 115.094 117.781 -2.687 18944 1756 1 6 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.680 -0.188 18944 1757 1 6 . 1 1 26 26 PHE CA C 26 56.446 56.446 57.585 -1.139 18944 1758 1 6 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.409 2.413 18944 1759 1 6 . 1 1 26 26 PHE H H 26 7.404 7.404 7.539 -0.135 18944 1760 1 6 . 1 1 27 27 HIS N N 27 115.592 115.592 121.025 -5.433 18944 1761 1 6 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.256 -0.203 18944 1762 1 6 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.935 -2.445 18944 1763 1 6 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.343 -1.513 18944 1764 1 6 . 1 1 27 27 HIS H H 27 8.057 8.057 7.847 0.210 18944 1765 1 6 . 1 1 28 28 CYS N N 28 116.364 116.364 116.059 0.305 18944 1766 1 6 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.277 -0.252 18944 1767 1 6 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.949 -2.326 18944 1768 1 6 . 1 1 28 28 CYS CB C 28 29.921 29.921 27.402 2.519 18944 1769 1 6 . 1 1 28 28 CYS H H 28 7.972 7.972 8.639 -0.667 18944 1770 1 6 . 1 1 29 29 LYS N N 29 122.054 122.054 120.028 2.026 18944 1771 1 6 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.230 0.070 18944 1772 1 6 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.683 -0.442 18944 1773 1 6 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.727 2.462 18944 1774 1 6 . 1 1 29 29 LYS H H 29 8.521 8.521 8.109 0.412 18944 1775 1 6 . 1 1 30 30 LYS N N 30 118.250 118.250 116.305 1.945 18944 1776 1 6 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.026 -0.323 18944 1777 1 6 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.432 -0.615 18944 1778 1 6 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.915 -1.461 18944 1779 1 6 . 1 1 30 30 LYS H H 30 7.830 7.830 8.626 -0.796 18944 1780 1 6 . 1 1 31 31 TYR N N 31 112.854 112.854 117.320 -4.466 18944 1781 1 6 . 1 1 31 31 TYR HA H 31 4.480 4.480 5.050 -0.570 18944 1782 1 6 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.912 -0.540 18944 1783 1 6 . 1 1 31 31 TYR CB C 31 41.159 41.159 40.777 0.382 18944 1784 1 6 . 1 1 31 31 TYR H H 31 7.294 7.294 7.849 -0.555 18944 1785 1 6 . 1 1 32 32 LEU N N 32 122.615 122.615 122.410 0.205 18944 1786 1 6 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.940 -0.230 18944 1787 1 6 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.178 -1.276 18944 1788 1 6 . 1 1 32 32 LEU CB C 32 44.626 44.626 43.470 1.156 18944 1789 1 6 . 1 1 32 32 LEU H H 32 8.426 8.426 8.494 -0.068 18944 1790 1 6 . 1 1 33 33 SER N N 33 119.224 119.224 113.960 5.264 18944 1791 1 6 . 1 1 33 33 SER HA H 33 4.583 4.583 4.753 -0.170 18944 1792 1 6 . 1 1 33 33 SER CA C 33 56.483 56.483 56.064 0.419 18944 1793 1 6 . 1 1 33 33 SER CB C 33 65.258 65.258 65.197 0.061 18944 1794 1 6 . 1 1 33 33 SER H H 33 9.322 9.322 7.975 1.347 18944 1795 1 6 . 1 1 34 34 LEU N N 34 121.601 121.601 124.017 -2.416 18944 1796 1 6 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.017 -0.040 18944 1797 1 6 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.384 0.487 18944 1798 1 6 . 1 1 34 34 LEU CB C 34 41.363 41.363 42.196 -0.833 18944 1799 1 6 . 1 1 34 34 LEU H H 34 8.808 8.808 8.717 0.091 18944 1800 1 6 . 1 1 35 35 THR N N 35 113.816 113.816 113.775 0.041 18944 1801 1 6 . 1 1 35 35 THR HA H 35 3.944 3.944 3.999 -0.055 18944 1802 1 6 . 1 1 35 35 THR CA C 35 65.721 65.721 66.776 -1.055 18944 1803 1 6 . 1 1 35 35 THR CB C 35 68.367 68.367 68.523 -0.156 18944 1804 1 6 . 1 1 35 35 THR H H 35 8.104 8.104 8.105 -0.001 18944 1805 1 6 . 1 1 36 36 GLU N N 36 123.125 123.125 121.825 1.300 18944 1806 1 6 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.034 -0.057 18944 1807 1 6 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.641 -0.763 18944 1808 1 6 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.282 1.125 18944 1809 1 6 . 1 1 36 36 GLU H H 36 7.691 7.691 8.495 -0.804 18944 1810 1 6 . 1 1 37 37 ARG N N 37 119.258 119.258 118.893 0.365 18944 1811 1 6 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.931 -0.175 18944 1812 1 6 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.201 0.820 18944 1813 1 6 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.174 0.681 18944 1814 1 6 . 1 1 37 37 ARG H H 37 8.726 8.726 8.467 0.259 18944 1815 1 6 . 1 1 38 38 SER N N 38 113.573 113.573 115.357 -1.784 18944 1816 1 6 . 1 1 38 38 SER HA H 38 4.073 4.073 4.096 -0.023 18944 1817 1 6 . 1 1 38 38 SER CA C 38 61.865 61.865 61.330 0.535 18944 1818 1 6 . 1 1 38 38 SER CB C 38 62.685 62.685 62.795 -0.111 18944 1819 1 6 . 1 1 38 38 SER H H 38 8.039 8.039 7.702 0.337 18944 1820 1 6 . 1 1 39 39 GLN N N 39 121.912 121.912 121.024 0.888 18944 1821 1 6 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.959 0.156 18944 1822 1 6 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.263 -0.178 18944 1823 1 6 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.762 -0.596 18944 1824 1 6 . 1 1 39 39 GLN H H 39 8.033 8.033 7.945 0.088 18944 1825 1 6 . 1 1 40 40 ILE N N 40 121.716 121.716 119.637 2.079 18944 1826 1 6 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.670 0.209 18944 1827 1 6 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.822 -0.461 18944 1828 1 6 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.612 0.517 18944 1829 1 6 . 1 1 40 40 ILE H H 40 8.205 8.205 8.381 -0.176 18944 1830 1 6 . 1 1 41 41 ALA N N 41 122.005 122.005 122.927 -0.922 18944 1831 1 6 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.934 -0.271 18944 1832 1 6 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.239 0.708 18944 1833 1 6 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.006 -0.490 18944 1834 1 6 . 1 1 41 41 ALA H H 41 8.301 8.301 7.485 0.816 18944 1835 1 6 . 1 1 42 42 HIS N N 42 114.193 114.193 118.859 -4.666 18944 1836 1 6 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.261 0.133 18944 1837 1 6 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.670 -0.021 18944 1838 1 6 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.122 -1.251 18944 1839 1 6 . 1 1 42 42 HIS H H 42 8.091 8.091 8.160 -0.069 18944 1840 1 6 . 1 1 43 43 ALA N N 43 122.121 122.121 123.056 -0.935 18944 1841 1 6 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.125 -0.059 18944 1842 1 6 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.987 -0.131 18944 1843 1 6 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.805 -0.488 18944 1844 1 6 . 1 1 43 43 ALA H H 43 8.167 8.167 8.717 -0.550 18944 1845 1 6 . 1 1 44 44 LEU N N 44 114.117 114.117 114.703 -0.586 18944 1846 1 6 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.541 -0.214 18944 1847 1 6 . 1 1 44 44 LEU CA C 44 54.171 54.171 53.450 0.721 18944 1848 1 6 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.250 0.222 18944 1849 1 6 . 1 1 44 44 LEU H H 44 8.037 8.037 7.378 0.659 18944 1850 1 6 . 1 1 45 45 LYS N N 45 117.081 117.081 118.759 -1.678 18944 1851 1 6 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.899 0.049 18944 1852 1 6 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.285 -0.071 18944 1853 1 6 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.776 -2.417 18944 1854 1 6 . 1 1 45 45 LYS H H 45 7.806 7.806 7.700 0.106 18944 1855 1 6 . 1 1 46 46 LEU N N 46 119.781 119.781 117.284 2.497 18944 1856 1 6 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.587 0.192 18944 1857 1 6 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.074 -0.699 18944 1858 1 6 . 1 1 46 46 LEU CB C 46 47.430 47.430 45.575 1.855 18944 1859 1 6 . 1 1 46 46 LEU H H 46 8.393 8.393 8.092 0.301 18944 1860 1 6 . 1 1 47 47 SER N N 47 114.982 114.982 113.999 0.983 18944 1861 1 6 . 1 1 47 47 SER HA H 47 4.772 4.772 4.726 0.046 18944 1862 1 6 . 1 1 47 47 SER CA C 47 56.659 56.659 56.849 -0.190 18944 1863 1 6 . 1 1 47 47 SER CB C 47 64.905 64.905 65.971 -1.066 18944 1864 1 6 . 1 1 47 47 SER H H 47 8.817 8.817 8.074 0.743 18944 1865 1 6 . 1 1 48 48 GLU N N 48 122.917 122.917 122.024 0.893 18944 1866 1 6 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.039 -0.376 18944 1867 1 6 . 1 1 48 48 GLU CA C 48 61.142 61.142 59.684 1.458 18944 1868 1 6 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.559 -0.566 18944 1869 1 6 . 1 1 48 48 GLU H H 48 9.232 9.232 9.031 0.201 18944 1870 1 6 . 1 1 49 49 VAL N N 49 118.250 118.250 120.339 -2.089 18944 1871 1 6 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.761 0.009 18944 1872 1 6 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.260 -0.567 18944 1873 1 6 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.461 0.359 18944 1874 1 6 . 1 1 49 49 VAL H H 49 8.015 8.015 8.064 -0.049 18944 1875 1 6 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.089 0.066 18944 1876 1 6 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.448 -0.207 18944 1877 1 6 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.354 1.163 18944 1878 1 6 . 1 1 50 50 GLN H H 50 7.714 7.714 7.561 0.153 18944 1879 1 6 . 1 1 51 51 VAL N N 51 119.155 119.155 119.386 -0.231 18944 1880 1 6 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.822 -0.129 18944 1881 1 6 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.206 1.198 18944 1882 1 6 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.163 1.030 18944 1883 1 6 . 1 1 51 51 VAL H H 51 7.705 7.705 8.498 -0.793 18944 1884 1 6 . 1 1 52 52 LYS N N 52 121.165 121.165 121.553 -0.388 18944 1885 1 6 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.016 0.257 18944 1886 1 6 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.660 0.187 18944 1887 1 6 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.361 0.834 18944 1888 1 6 . 1 1 52 52 LYS H H 52 8.545 8.545 7.576 0.969 18944 1889 1 6 . 1 1 53 53 ILE N N 53 120.436 120.436 119.543 0.893 18944 1890 1 6 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.824 0.005 18944 1891 1 6 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.878 -1.647 18944 1892 1 6 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.885 0.094 18944 1893 1 6 . 1 1 53 53 ILE H H 53 8.733 8.733 8.482 0.251 18944 1894 1 6 . 1 1 54 54 TRP N N 54 122.076 122.076 121.546 0.530 18944 1895 1 6 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.214 -0.200 18944 1896 1 6 . 1 1 54 54 TRP CA C 54 63.402 63.402 62.183 1.219 18944 1897 1 6 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.801 -0.944 18944 1898 1 6 . 1 1 54 54 TRP H H 54 8.522 8.522 8.693 -0.171 18944 1899 1 6 . 1 1 55 55 PHE N N 55 119.314 119.314 118.486 0.828 18944 1900 1 6 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.303 -0.585 18944 1901 1 6 . 1 1 55 55 PHE CA C 55 63.373 63.373 60.443 2.930 18944 1902 1 6 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.551 0.774 18944 1903 1 6 . 1 1 55 55 PHE H H 55 9.087 9.087 8.393 0.694 18944 1904 1 6 . 1 1 56 56 GLN N N 56 119.067 119.067 119.580 -0.513 18944 1905 1 6 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.882 0.113 18944 1906 1 6 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.642 -0.164 18944 1907 1 6 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.493 0.035 18944 1908 1 6 . 1 1 56 56 GLN H H 56 8.148 8.148 8.852 -0.704 18944 1909 1 6 . 1 1 57 57 ASN N N 57 119.662 119.662 117.529 2.133 18944 1910 1 6 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.420 -0.066 18944 1911 1 6 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.728 -0.411 18944 1912 1 6 . 1 1 57 57 ASN CB C 57 37.725 37.725 37.901 -0.176 18944 1913 1 6 . 1 1 57 57 ASN H H 57 8.396 8.396 8.235 0.161 18944 1914 1 6 . 1 1 58 58 ARG N N 58 124.411 124.411 120.760 3.651 18944 1915 1 6 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.521 -0.013 18944 1916 1 6 . 1 1 58 58 ARG CA C 58 56.145 56.145 59.210 -3.065 18944 1917 1 6 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.285 -1.328 18944 1918 1 6 . 1 1 58 58 ARG H H 58 8.454 8.454 7.886 0.568 18944 1919 1 6 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.130 0.224 18944 1920 1 6 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.235 1.224 18944 1921 1 6 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.016 2.002 18944 1922 1 6 . 1 1 60 60 ALA N N 60 121.683 121.683 122.500 -0.817 18944 1923 1 6 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.075 0.120 18944 1924 1 6 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.316 -0.370 18944 1925 1 6 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.039 -0.368 18944 1926 1 6 . 1 1 60 60 ALA H H 60 7.524 7.524 8.491 -0.967 18944 1927 1 6 . 1 1 61 61 LYS N N 61 118.243 118.243 119.154 -0.911 18944 1928 1 6 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.935 0.091 18944 1929 1 6 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.271 -0.667 18944 1930 1 6 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.392 0.335 18944 1931 1 6 . 1 1 61 61 LYS H H 61 7.352 7.352 7.474 -0.122 18944 1932 1 6 . 1 1 62 62 TRP N N 62 121.102 121.102 120.947 0.155 18944 1933 1 6 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.222 0.421 18944 1934 1 6 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.998 -2.075 18944 1935 1 6 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.395 0.191 18944 1936 1 6 . 1 1 62 62 TRP H H 62 7.934 7.934 8.402 -0.468 18944 1937 1 6 . 1 1 63 63 LYS N N 63 118.454 118.454 117.961 0.493 18944 1938 1 6 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.553 0.104 18944 1939 1 6 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.326 -1.618 18944 1940 1 6 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.689 0.984 18944 1941 1 6 . 1 1 63 63 LYS H H 63 8.328 8.328 8.515 -0.187 18944 1942 1 6 . 1 1 64 64 ARG N N 64 119.371 119.371 118.066 1.305 18944 1943 1 6 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.173 -0.079 18944 1944 1 6 . 1 1 64 64 ARG CA C 64 57.575 57.575 58.869 -1.294 18944 1945 1 6 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.115 -0.073 18944 1946 1 6 . 1 1 64 64 ARG H H 64 7.605 7.605 7.929 -0.324 18944 1947 1 6 . 1 1 65 65 ILE N N 65 120.717 120.717 119.233 1.484 18944 1948 1 6 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.960 0.034 18944 1949 1 6 . 1 1 65 65 ILE CA C 65 62.122 62.122 63.708 -1.585 18944 1950 1 6 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.661 -0.461 18944 1951 1 6 . 1 1 65 65 ILE H H 65 7.933 7.933 7.549 0.384 18944 1952 1 6 . 1 1 66 66 LYS N N 66 123.684 123.684 119.288 4.396 18944 1953 1 6 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.241 -0.101 18944 1954 1 6 . 1 1 66 66 LYS CA C 66 56.691 56.691 57.594 -0.903 18944 1955 1 6 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.510 -0.154 18944 1956 1 6 . 1 1 66 66 LYS H H 66 8.180 8.180 8.287 -0.107 18944 1957 1 6 . 1 1 67 67 ALA N N 67 123.678 123.678 120.518 3.160 18944 1958 1 6 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.482 -0.208 18944 1959 1 6 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.876 0.672 18944 1960 1 6 . 1 1 67 67 ALA CB C 67 19.080 19.080 20.398 -1.318 18944 1961 1 6 . 1 1 67 67 ALA H H 67 7.959 7.959 7.749 0.210 18944 1962 1 6 . 1 1 68 68 GLY N N 68 107.345 107.345 109.138 -1.793 18944 1963 1 6 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.876 0.398 18944 1964 1 6 . 1 1 68 68 GLY H H 68 8.157 8.157 7.860 0.297 18944 1965 1 6 . 1 1 69 69 ASN N N 69 118.854 118.854 119.051 -0.197 18944 1966 1 6 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.285 0.472 18944 1967 1 6 . 1 1 69 69 ASN CA C 69 53.066 53.066 54.000 -0.934 18944 1968 1 6 . 1 1 69 69 ASN CB C 69 38.948 38.948 38.422 0.526 18944 1969 1 6 . 1 1 69 69 ASN H H 69 8.230 8.230 8.336 -0.106 18944 1970 1 6 . 1 1 70 70 VAL N N 70 119.499 119.499 122.241 -2.742 18944 1971 1 6 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.971 0.235 18944 1972 1 6 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.545 -1.483 18944 1973 1 6 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.961 0.843 18944 1974 1 6 . 1 1 70 70 VAL H H 70 8.109 8.109 8.203 -0.094 18944 1975 1 7 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.329 0.111 18944 1976 1 7 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.259 0.042 18944 1977 1 7 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.530 -0.660 18944 1978 1 7 . 1 1 4 4 GLY N N 4 109.613 109.613 108.347 1.266 18944 1979 1 7 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.293 0.951 18944 1980 1 7 . 1 1 4 4 GLY H H 4 8.536 8.536 8.074 0.462 18944 1981 1 7 . 1 1 5 5 GLY N N 5 108.797 108.797 108.760 0.037 18944 1982 1 7 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.608 0.643 18944 1983 1 7 . 1 1 5 5 GLY H H 5 8.298 8.298 7.772 0.526 18944 1984 1 7 . 1 1 6 6 LYS N N 6 120.988 120.988 121.074 -0.086 18944 1985 1 7 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.256 -0.309 18944 1986 1 7 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.064 1.194 18944 1987 1 7 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.539 0.371 18944 1988 1 7 . 1 1 6 6 LYS H H 6 8.313 8.313 8.417 -0.104 18944 1989 1 7 . 1 1 7 7 SER N N 7 116.912 116.912 113.892 3.020 18944 1990 1 7 . 1 1 7 7 SER HA H 7 4.420 4.420 4.086 0.334 18944 1991 1 7 . 1 1 7 7 SER CA C 7 58.338 58.338 60.636 -2.298 18944 1992 1 7 . 1 1 7 7 SER CB C 7 63.540 63.540 62.325 1.215 18944 1993 1 7 . 1 1 7 7 SER H H 7 8.345 8.345 8.624 -0.279 18944 1994 1 7 . 1 1 8 8 ARG N N 8 123.496 123.496 122.512 0.984 18944 1995 1 7 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.511 -0.172 18944 1996 1 7 . 1 1 8 8 ARG CA C 8 56.038 56.038 55.714 0.324 18944 1997 1 7 . 1 1 8 8 ARG CB C 8 30.596 30.596 31.054 -0.458 18944 1998 1 7 . 1 1 8 8 ARG H H 8 8.410 8.410 8.114 0.296 18944 1999 1 7 . 1 1 9 9 ARG N N 9 122.569 122.569 118.993 3.576 18944 2000 1 7 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.582 -0.274 18944 2001 1 7 . 1 1 9 9 ARG CA C 9 55.979 55.979 55.288 0.691 18944 2002 1 7 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.896 -2.196 18944 2003 1 7 . 1 1 9 9 ARG H H 9 8.340 8.340 7.920 0.420 18944 2004 1 7 . 1 1 10 10 ARG N N 10 123.464 123.464 122.894 0.570 18944 2005 1 7 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.371 -0.043 18944 2006 1 7 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.741 -1.815 18944 2007 1 7 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.281 2.540 18944 2008 1 7 . 1 1 10 10 ARG H H 10 8.457 8.457 8.878 -0.421 18944 2009 1 7 . 1 1 11 11 ARG N N 11 123.477 123.477 118.783 4.694 18944 2010 1 7 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.542 -0.153 18944 2011 1 7 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.609 0.360 18944 2012 1 7 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.454 -1.615 18944 2013 1 7 . 1 1 11 11 ARG H H 11 8.540 8.540 8.328 0.212 18944 2014 1 7 . 1 1 12 12 THR N N 12 116.338 116.338 114.638 1.700 18944 2015 1 7 . 1 1 12 12 THR HA H 12 4.289 4.289 4.639 -0.350 18944 2016 1 7 . 1 1 12 12 THR CA C 12 61.393 61.393 61.505 -0.112 18944 2017 1 7 . 1 1 12 12 THR CB C 12 69.660 69.660 70.226 -0.566 18944 2018 1 7 . 1 1 12 12 THR H H 12 8.249 8.249 7.541 0.708 18944 2019 1 7 . 1 1 13 13 ALA N N 13 127.182 127.182 130.594 -3.412 18944 2020 1 7 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.720 0.585 18944 2021 1 7 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.847 -1.823 18944 2022 1 7 . 1 1 13 13 ALA CB C 13 19.654 19.654 17.509 2.146 18944 2023 1 7 . 1 1 13 13 ALA H H 13 8.275 8.275 8.556 -0.281 18944 2024 1 7 . 1 1 14 14 PHE N N 14 118.661 118.661 117.593 1.068 18944 2025 1 7 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.093 -0.130 18944 2026 1 7 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.923 0.335 18944 2027 1 7 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.203 -0.484 18944 2028 1 7 . 1 1 14 14 PHE H H 14 8.060 8.060 7.989 0.071 18944 2029 1 7 . 1 1 15 15 THR N N 15 113.672 113.672 110.054 3.618 18944 2030 1 7 . 1 1 15 15 THR HA H 15 4.522 4.522 4.827 -0.305 18944 2031 1 7 . 1 1 15 15 THR CA C 15 60.272 60.272 60.117 0.155 18944 2032 1 7 . 1 1 15 15 THR CB C 15 70.919 70.919 71.492 -0.573 18944 2033 1 7 . 1 1 15 15 THR H H 15 9.139 9.139 8.021 1.118 18944 2034 1 7 . 1 1 16 16 SER N N 16 116.722 116.722 115.046 1.676 18944 2035 1 7 . 1 1 16 16 SER HA H 16 3.934 3.934 4.301 -0.367 18944 2036 1 7 . 1 1 16 16 SER CA C 16 62.071 62.071 61.351 0.720 18944 2037 1 7 . 1 1 16 16 SER CB C 16 61.814 61.814 62.852 -1.038 18944 2038 1 7 . 1 1 16 16 SER H H 16 9.094 9.094 8.595 0.499 18944 2039 1 7 . 1 1 17 17 GLU N N 17 120.784 120.784 122.329 -1.545 18944 2040 1 7 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.906 0.116 18944 2041 1 7 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.462 0.665 18944 2042 1 7 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.511 -0.403 18944 2043 1 7 . 1 1 17 17 GLU H H 17 8.673 8.673 7.799 0.874 18944 2044 1 7 . 1 1 18 18 GLN N N 18 118.707 118.707 115.029 3.678 18944 2045 1 7 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.087 -0.278 18944 2046 1 7 . 1 1 18 18 GLN CA C 18 58.961 58.961 57.179 1.782 18944 2047 1 7 . 1 1 18 18 GLN CB C 18 27.980 27.980 29.092 -1.112 18944 2048 1 7 . 1 1 18 18 GLN H H 18 7.748 7.748 7.751 -0.003 18944 2049 1 7 . 1 1 19 19 LEU N N 19 117.129 117.129 116.397 0.732 18944 2050 1 7 . 1 1 19 19 LEU HA H 19 3.629 3.629 4.116 -0.487 18944 2051 1 7 . 1 1 19 19 LEU CA C 19 57.795 57.795 54.466 3.329 18944 2052 1 7 . 1 1 19 19 LEU CB C 19 41.611 41.611 43.196 -1.585 18944 2053 1 7 . 1 1 19 19 LEU H H 19 8.109 8.109 7.545 0.564 18944 2054 1 7 . 1 1 20 20 LEU N N 20 119.459 119.459 120.669 -1.210 18944 2055 1 7 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.233 -0.231 18944 2056 1 7 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.600 0.403 18944 2057 1 7 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.641 -0.683 18944 2058 1 7 . 1 1 20 20 LEU H H 20 7.948 7.948 7.904 0.044 18944 2059 1 7 . 1 1 21 21 GLU N N 21 118.593 118.593 117.808 0.785 18944 2060 1 7 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.048 0.038 18944 2061 1 7 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.762 -0.332 18944 2062 1 7 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.528 0.144 18944 2063 1 7 . 1 1 21 21 GLU H H 21 7.564 7.564 8.241 -0.677 18944 2064 1 7 . 1 1 22 22 LEU N N 22 122.405 122.405 118.451 3.954 18944 2065 1 7 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.892 -0.376 18944 2066 1 7 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.644 0.585 18944 2067 1 7 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.117 -3.121 18944 2068 1 7 . 1 1 22 22 LEU H H 22 8.148 8.148 8.048 0.100 18944 2069 1 7 . 1 1 23 23 GLU N N 23 118.202 118.202 116.298 1.904 18944 2070 1 7 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.304 -0.022 18944 2071 1 7 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.741 0.075 18944 2072 1 7 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.010 -0.056 18944 2073 1 7 . 1 1 23 23 GLU H H 23 7.853 7.853 8.372 -0.519 18944 2074 1 7 . 1 1 24 24 LYS N N 24 120.955 120.955 119.403 1.552 18944 2075 1 7 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.259 -0.233 18944 2076 1 7 . 1 1 24 24 LYS CA C 24 59.854 59.854 58.875 0.979 18944 2077 1 7 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.444 -0.154 18944 2078 1 7 . 1 1 24 24 LYS H H 24 7.828 7.828 7.524 0.304 18944 2079 1 7 . 1 1 25 25 GLU N N 25 120.791 120.791 121.020 -0.229 18944 2080 1 7 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.151 0.108 18944 2081 1 7 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.079 -0.359 18944 2082 1 7 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.495 -0.920 18944 2083 1 7 . 1 1 25 25 GLU H H 25 8.153 8.153 7.944 0.209 18944 2084 1 7 . 1 1 26 26 PHE N N 26 115.094 115.094 116.712 -1.618 18944 2085 1 7 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.914 -0.422 18944 2086 1 7 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.609 -2.163 18944 2087 1 7 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.412 2.410 18944 2088 1 7 . 1 1 26 26 PHE H H 26 7.404 7.404 7.660 -0.256 18944 2089 1 7 . 1 1 27 27 HIS N N 27 115.592 115.592 118.550 -2.958 18944 2090 1 7 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.333 -0.280 18944 2091 1 7 . 1 1 27 27 HIS CA C 27 58.490 58.490 59.433 -0.943 18944 2092 1 7 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.700 -1.869 18944 2093 1 7 . 1 1 27 27 HIS H H 27 8.057 8.057 8.147 -0.090 18944 2094 1 7 . 1 1 28 28 CYS N N 28 116.364 116.364 114.528 1.836 18944 2095 1 7 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.508 -0.483 18944 2096 1 7 . 1 1 28 28 CYS CA C 28 58.623 58.623 58.183 0.440 18944 2097 1 7 . 1 1 28 28 CYS CB C 28 29.921 29.921 30.092 -0.171 18944 2098 1 7 . 1 1 28 28 CYS H H 28 7.972 7.972 7.596 0.376 18944 2099 1 7 . 1 1 29 29 LYS N N 29 122.054 122.054 122.169 -0.115 18944 2100 1 7 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.150 0.150 18944 2101 1 7 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.291 0.950 18944 2102 1 7 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.234 2.955 18944 2103 1 7 . 1 1 29 29 LYS H H 29 8.521 8.521 7.478 1.044 18944 2104 1 7 . 1 1 30 30 LYS N N 30 118.250 118.250 122.079 -3.829 18944 2105 1 7 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.249 0.454 18944 2106 1 7 . 1 1 30 30 LYS CA C 30 55.817 55.817 57.100 -1.283 18944 2107 1 7 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.318 0.136 18944 2108 1 7 . 1 1 30 30 LYS H H 30 7.830 7.830 8.195 -0.365 18944 2109 1 7 . 1 1 31 31 TYR N N 31 112.854 112.854 113.566 -0.712 18944 2110 1 7 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.811 -0.331 18944 2111 1 7 . 1 1 31 31 TYR CA C 31 56.372 56.372 55.272 1.100 18944 2112 1 7 . 1 1 31 31 TYR CB C 31 41.159 41.159 38.669 2.490 18944 2113 1 7 . 1 1 31 31 TYR H H 31 7.294 7.294 7.013 0.281 18944 2114 1 7 . 1 1 32 32 LEU N N 32 122.615 122.615 125.943 -3.328 18944 2115 1 7 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.320 0.390 18944 2116 1 7 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.438 -1.536 18944 2117 1 7 . 1 1 32 32 LEU CB C 32 44.626 44.626 42.204 2.422 18944 2118 1 7 . 1 1 32 32 LEU H H 32 8.426 8.426 8.301 0.125 18944 2119 1 7 . 1 1 33 33 SER N N 33 119.224 119.224 117.579 1.645 18944 2120 1 7 . 1 1 33 33 SER HA H 33 4.583 4.583 4.438 0.145 18944 2121 1 7 . 1 1 33 33 SER CA C 33 56.483 56.483 57.663 -1.180 18944 2122 1 7 . 1 1 33 33 SER CB C 33 65.258 65.258 64.484 0.774 18944 2123 1 7 . 1 1 33 33 SER H H 33 9.322 9.322 8.288 1.034 18944 2124 1 7 . 1 1 34 34 LEU N N 34 121.601 121.601 121.342 0.259 18944 2125 1 7 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.152 -0.175 18944 2126 1 7 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.181 0.690 18944 2127 1 7 . 1 1 34 34 LEU CB C 34 41.363 41.363 42.119 -0.756 18944 2128 1 7 . 1 1 34 34 LEU H H 34 8.808 8.808 8.642 0.166 18944 2129 1 7 . 1 1 35 35 THR N N 35 113.816 113.816 113.718 0.098 18944 2130 1 7 . 1 1 35 35 THR HA H 35 3.944 3.944 3.979 -0.035 18944 2131 1 7 . 1 1 35 35 THR CA C 35 65.721 65.721 66.943 -1.222 18944 2132 1 7 . 1 1 35 35 THR CB C 35 68.367 68.367 67.767 0.600 18944 2133 1 7 . 1 1 35 35 THR H H 35 8.104 8.104 8.425 -0.321 18944 2134 1 7 . 1 1 36 36 GLU N N 36 123.125 123.125 120.930 2.195 18944 2135 1 7 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.018 -0.041 18944 2136 1 7 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.885 -1.007 18944 2137 1 7 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.900 1.507 18944 2138 1 7 . 1 1 36 36 GLU H H 36 7.691 7.691 8.667 -0.976 18944 2139 1 7 . 1 1 37 37 ARG N N 37 119.258 119.258 119.505 -0.247 18944 2140 1 7 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.975 -0.219 18944 2141 1 7 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.111 0.909 18944 2142 1 7 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.170 0.685 18944 2143 1 7 . 1 1 37 37 ARG H H 37 8.726 8.726 8.043 0.683 18944 2144 1 7 . 1 1 38 38 SER N N 38 113.573 113.573 115.269 -1.696 18944 2145 1 7 . 1 1 38 38 SER HA H 38 4.073 4.073 4.213 -0.140 18944 2146 1 7 . 1 1 38 38 SER CA C 38 61.865 61.865 61.395 0.470 18944 2147 1 7 . 1 1 38 38 SER CB C 38 62.685 62.685 62.597 0.088 18944 2148 1 7 . 1 1 38 38 SER H H 38 8.039 8.039 7.701 0.338 18944 2149 1 7 . 1 1 39 39 GLN N N 39 121.912 121.912 120.575 1.337 18944 2150 1 7 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.936 0.179 18944 2151 1 7 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.213 -0.128 18944 2152 1 7 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.421 -0.254 18944 2153 1 7 . 1 1 39 39 GLN H H 39 8.033 8.033 7.869 0.164 18944 2154 1 7 . 1 1 40 40 ILE N N 40 121.716 121.716 119.826 1.890 18944 2155 1 7 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.692 0.187 18944 2156 1 7 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.485 -1.124 18944 2157 1 7 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.634 0.495 18944 2158 1 7 . 1 1 40 40 ILE H H 40 8.205 8.205 7.502 0.703 18944 2159 1 7 . 1 1 41 41 ALA N N 41 122.005 122.005 121.963 0.042 18944 2160 1 7 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.977 -0.314 18944 2161 1 7 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.125 0.822 18944 2162 1 7 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.203 -0.687 18944 2163 1 7 . 1 1 41 41 ALA H H 41 8.301 8.301 8.163 0.138 18944 2164 1 7 . 1 1 42 42 HIS N N 42 114.193 114.193 118.820 -4.627 18944 2165 1 7 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.267 0.127 18944 2166 1 7 . 1 1 42 42 HIS CA C 42 58.649 58.649 59.769 -1.120 18944 2167 1 7 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.139 -1.268 18944 2168 1 7 . 1 1 42 42 HIS H H 42 8.091 8.091 8.257 -0.166 18944 2169 1 7 . 1 1 43 43 ALA N N 43 122.121 122.121 123.002 -0.881 18944 2170 1 7 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.106 -0.040 18944 2171 1 7 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.972 -0.116 18944 2172 1 7 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.639 -0.322 18944 2173 1 7 . 1 1 43 43 ALA H H 43 8.167 8.167 8.563 -0.396 18944 2174 1 7 . 1 1 44 44 LEU N N 44 114.117 114.117 117.783 -3.666 18944 2175 1 7 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.262 0.065 18944 2176 1 7 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.624 -0.453 18944 2177 1 7 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.352 0.120 18944 2178 1 7 . 1 1 44 44 LEU H H 44 8.037 8.037 7.911 0.126 18944 2179 1 7 . 1 1 45 45 LYS N N 45 117.081 117.081 118.874 -1.793 18944 2180 1 7 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.844 0.104 18944 2181 1 7 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.446 -0.232 18944 2182 1 7 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.123 -1.764 18944 2183 1 7 . 1 1 45 45 LYS H H 45 7.806 7.806 7.796 0.010 18944 2184 1 7 . 1 1 46 46 LEU N N 46 119.781 119.781 120.774 -0.993 18944 2185 1 7 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.604 0.175 18944 2186 1 7 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.661 -1.286 18944 2187 1 7 . 1 1 46 46 LEU CB C 46 47.430 47.430 45.371 2.059 18944 2188 1 7 . 1 1 46 46 LEU H H 46 8.393 8.393 8.268 0.125 18944 2189 1 7 . 1 1 47 47 SER N N 47 114.982 114.982 114.101 0.881 18944 2190 1 7 . 1 1 47 47 SER HA H 47 4.772 4.772 4.824 -0.052 18944 2191 1 7 . 1 1 47 47 SER CA C 47 56.659 56.659 57.013 -0.354 18944 2192 1 7 . 1 1 47 47 SER CB C 47 64.905 64.905 65.834 -0.929 18944 2193 1 7 . 1 1 47 47 SER H H 47 8.817 8.817 8.251 0.566 18944 2194 1 7 . 1 1 48 48 GLU N N 48 122.917 122.917 122.756 0.161 18944 2195 1 7 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.014 -0.351 18944 2196 1 7 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.175 0.967 18944 2197 1 7 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.483 -0.490 18944 2198 1 7 . 1 1 48 48 GLU H H 48 9.232 9.232 9.032 0.200 18944 2199 1 7 . 1 1 49 49 VAL N N 49 118.250 118.250 119.863 -1.613 18944 2200 1 7 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.834 -0.064 18944 2201 1 7 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.352 -0.659 18944 2202 1 7 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.121 0.699 18944 2203 1 7 . 1 1 49 49 VAL H H 49 8.015 8.015 8.213 -0.198 18944 2204 1 7 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.163 -0.008 18944 2205 1 7 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.362 -0.121 18944 2206 1 7 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.449 1.068 18944 2207 1 7 . 1 1 50 50 GLN H H 50 7.714 7.714 7.771 -0.057 18944 2208 1 7 . 1 1 51 51 VAL N N 51 119.155 119.155 120.263 -1.108 18944 2209 1 7 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.842 -0.149 18944 2210 1 7 . 1 1 51 51 VAL CA C 51 67.404 67.404 67.192 0.212 18944 2211 1 7 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.305 0.888 18944 2212 1 7 . 1 1 51 51 VAL H H 51 7.705 7.705 8.523 -0.818 18944 2213 1 7 . 1 1 52 52 LYS N N 52 121.165 121.165 120.924 0.241 18944 2214 1 7 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.043 0.230 18944 2215 1 7 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.048 -0.202 18944 2216 1 7 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.440 0.755 18944 2217 1 7 . 1 1 52 52 LYS H H 52 8.545 8.545 7.796 0.749 18944 2218 1 7 . 1 1 53 53 ILE N N 53 120.436 120.436 118.540 1.896 18944 2219 1 7 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.774 0.055 18944 2220 1 7 . 1 1 53 53 ILE CA C 53 64.231 64.231 64.975 -0.744 18944 2221 1 7 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.828 0.150 18944 2222 1 7 . 1 1 53 53 ILE H H 53 8.733 8.733 8.575 0.158 18944 2223 1 7 . 1 1 54 54 TRP N N 54 122.076 122.076 122.075 0.001 18944 2224 1 7 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.138 -0.124 18944 2225 1 7 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.966 1.436 18944 2226 1 7 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.570 -0.713 18944 2227 1 7 . 1 1 54 54 TRP H H 54 8.522 8.522 8.146 0.376 18944 2228 1 7 . 1 1 55 55 PHE N N 55 119.314 119.314 117.762 1.552 18944 2229 1 7 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.825 -0.107 18944 2230 1 7 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.558 0.815 18944 2231 1 7 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.751 0.575 18944 2232 1 7 . 1 1 55 55 PHE H H 55 9.087 9.087 8.943 0.144 18944 2233 1 7 . 1 1 56 56 GLN N N 56 119.067 119.067 118.736 0.331 18944 2234 1 7 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.924 0.071 18944 2235 1 7 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.404 0.074 18944 2236 1 7 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.402 0.126 18944 2237 1 7 . 1 1 56 56 GLN H H 56 8.148 8.148 8.805 -0.657 18944 2238 1 7 . 1 1 57 57 ASN N N 57 119.662 119.662 117.922 1.740 18944 2239 1 7 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.396 -0.042 18944 2240 1 7 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.048 -0.731 18944 2241 1 7 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.209 -0.484 18944 2242 1 7 . 1 1 57 57 ASN H H 57 8.396 8.396 7.892 0.504 18944 2243 1 7 . 1 1 58 58 ARG N N 58 124.411 124.411 120.126 4.285 18944 2244 1 7 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.694 -0.186 18944 2245 1 7 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.121 -1.976 18944 2246 1 7 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.087 -1.130 18944 2247 1 7 . 1 1 58 58 ARG H H 58 8.454 8.454 7.641 0.813 18944 2248 1 7 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.192 0.162 18944 2249 1 7 . 1 1 59 59 ARG CA C 59 60.459 60.459 58.692 1.767 18944 2250 1 7 . 1 1 59 59 ARG CB C 59 32.018 32.018 29.828 2.191 18944 2251 1 7 . 1 1 60 60 ALA N N 60 121.683 121.683 122.090 -0.407 18944 2252 1 7 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.077 0.118 18944 2253 1 7 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.256 -0.310 18944 2254 1 7 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.048 -0.377 18944 2255 1 7 . 1 1 60 60 ALA H H 60 7.524 7.524 7.781 -0.257 18944 2256 1 7 . 1 1 61 61 LYS N N 61 118.243 118.243 119.008 -0.765 18944 2257 1 7 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.993 0.033 18944 2258 1 7 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.100 -0.496 18944 2259 1 7 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.383 0.344 18944 2260 1 7 . 1 1 61 61 LYS H H 61 7.352 7.352 7.289 0.063 18944 2261 1 7 . 1 1 62 62 TRP N N 62 121.102 121.102 121.409 -0.307 18944 2262 1 7 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.293 0.350 18944 2263 1 7 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.009 -2.086 18944 2264 1 7 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.460 0.126 18944 2265 1 7 . 1 1 62 62 TRP H H 62 7.934 7.934 8.250 -0.316 18944 2266 1 7 . 1 1 63 63 LYS N N 63 118.454 118.454 117.530 0.924 18944 2267 1 7 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.546 0.111 18944 2268 1 7 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.594 -1.886 18944 2269 1 7 . 1 1 63 63 LYS CB C 63 32.673 32.673 32.040 0.633 18944 2270 1 7 . 1 1 63 63 LYS H H 63 8.328 8.328 8.172 0.156 18944 2271 1 7 . 1 1 64 64 ARG N N 64 119.371 119.371 116.290 3.081 18944 2272 1 7 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.234 -0.140 18944 2273 1 7 . 1 1 64 64 ARG CA C 64 57.575 57.575 56.097 1.478 18944 2274 1 7 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.551 0.491 18944 2275 1 7 . 1 1 64 64 ARG H H 64 7.605 7.605 7.658 -0.053 18944 2276 1 7 . 1 1 65 65 ILE N N 65 120.717 120.717 118.034 2.683 18944 2277 1 7 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.290 -0.296 18944 2278 1 7 . 1 1 65 65 ILE CA C 65 62.122 62.122 62.664 -0.542 18944 2279 1 7 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.860 -1.660 18944 2280 1 7 . 1 1 65 65 ILE H H 65 7.933 7.933 7.905 0.028 18944 2281 1 7 . 1 1 66 66 LYS N N 66 123.684 123.684 121.615 2.069 18944 2282 1 7 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.059 0.081 18944 2283 1 7 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.443 -1.752 18944 2284 1 7 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.483 0.873 18944 2285 1 7 . 1 1 66 66 LYS H H 66 8.180 8.180 8.478 -0.298 18944 2286 1 7 . 1 1 67 67 ALA N N 67 123.678 123.678 120.261 3.417 18944 2287 1 7 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.376 -0.102 18944 2288 1 7 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.202 1.346 18944 2289 1 7 . 1 1 67 67 ALA CB C 67 19.080 19.080 18.409 0.671 18944 2290 1 7 . 1 1 67 67 ALA H H 67 7.959 7.959 7.565 0.394 18944 2291 1 7 . 1 1 68 68 GLY N N 68 107.345 107.345 108.855 -1.510 18944 2292 1 7 . 1 1 68 68 GLY CA C 68 45.274 45.274 46.341 -1.067 18944 2293 1 7 . 1 1 68 68 GLY H H 68 8.157 8.157 8.316 -0.159 18944 2294 1 7 . 1 1 69 69 ASN N N 69 118.854 118.854 121.273 -2.419 18944 2295 1 7 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.845 -0.088 18944 2296 1 7 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.223 0.843 18944 2297 1 7 . 1 1 69 69 ASN CB C 69 38.948 38.948 39.403 -0.455 18944 2298 1 7 . 1 1 69 69 ASN H H 69 8.230 8.230 8.019 0.211 18944 2299 1 7 . 1 1 70 70 VAL N N 70 119.499 119.499 118.337 1.162 18944 2300 1 7 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.313 -0.107 18944 2301 1 7 . 1 1 70 70 VAL CA C 70 62.062 62.062 61.769 0.293 18944 2302 1 7 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.481 0.323 18944 2303 1 7 . 1 1 70 70 VAL H H 70 8.109 8.109 8.230 -0.121 18944 2304 1 8 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.520 -0.080 18944 2305 1 8 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.932 0.369 18944 2306 1 8 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.564 -0.694 18944 2307 1 8 . 1 1 4 4 GLY N N 4 109.613 109.613 109.952 -0.339 18944 2308 1 8 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.016 0.228 18944 2309 1 8 . 1 1 4 4 GLY H H 4 8.536 8.536 8.443 0.093 18944 2310 1 8 . 1 1 5 5 GLY N N 5 108.797 108.797 107.074 1.723 18944 2311 1 8 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.489 -0.237 18944 2312 1 8 . 1 1 5 5 GLY H H 5 8.298 8.298 8.594 -0.296 18944 2313 1 8 . 1 1 6 6 LYS N N 6 120.988 120.988 119.010 1.978 18944 2314 1 8 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.258 -0.311 18944 2315 1 8 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.658 0.600 18944 2316 1 8 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.613 0.297 18944 2317 1 8 . 1 1 6 6 LYS H H 6 8.313 8.313 8.335 -0.022 18944 2318 1 8 . 1 1 7 7 SER N N 7 116.912 116.912 115.584 1.328 18944 2319 1 8 . 1 1 7 7 SER HA H 7 4.420 4.420 4.676 -0.256 18944 2320 1 8 . 1 1 7 7 SER CA C 7 58.338 58.338 57.519 0.819 18944 2321 1 8 . 1 1 7 7 SER CB C 7 63.540 63.540 66.099 -2.559 18944 2322 1 8 . 1 1 7 7 SER H H 7 8.345 8.345 7.647 0.698 18944 2323 1 8 . 1 1 8 8 ARG N N 8 123.496 123.496 121.463 2.033 18944 2324 1 8 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.577 -0.238 18944 2325 1 8 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.984 -0.946 18944 2326 1 8 . 1 1 8 8 ARG CB C 8 30.596 30.596 30.922 -0.326 18944 2327 1 8 . 1 1 8 8 ARG H H 8 8.410 8.410 8.615 -0.205 18944 2328 1 8 . 1 1 9 9 ARG N N 9 122.569 122.569 122.117 0.452 18944 2329 1 8 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.706 -0.398 18944 2330 1 8 . 1 1 9 9 ARG CA C 9 55.979 55.979 54.426 1.553 18944 2331 1 8 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.290 -1.590 18944 2332 1 8 . 1 1 9 9 ARG H H 9 8.340 8.340 8.200 0.140 18944 2333 1 8 . 1 1 10 10 ARG N N 10 123.464 123.464 121.034 2.430 18944 2334 1 8 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.162 0.166 18944 2335 1 8 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.628 -1.702 18944 2336 1 8 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.670 2.151 18944 2337 1 8 . 1 1 10 10 ARG H H 10 8.457 8.457 8.729 -0.272 18944 2338 1 8 . 1 1 11 11 ARG N N 11 123.477 123.477 119.365 4.112 18944 2339 1 8 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.473 -0.084 18944 2340 1 8 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.477 -0.508 18944 2341 1 8 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.405 -0.566 18944 2342 1 8 . 1 1 11 11 ARG H H 11 8.540 8.540 8.390 0.150 18944 2343 1 8 . 1 1 12 12 THR N N 12 116.338 116.338 112.423 3.915 18944 2344 1 8 . 1 1 12 12 THR HA H 12 4.289 4.289 4.612 -0.323 18944 2345 1 8 . 1 1 12 12 THR CA C 12 61.393 61.393 60.806 0.587 18944 2346 1 8 . 1 1 12 12 THR CB C 12 69.660 69.660 70.100 -0.440 18944 2347 1 8 . 1 1 12 12 THR H H 12 8.249 8.249 7.638 0.611 18944 2348 1 8 . 1 1 13 13 ALA N N 13 127.182 127.182 123.998 3.184 18944 2349 1 8 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.026 0.279 18944 2350 1 8 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.640 -1.616 18944 2351 1 8 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.880 0.774 18944 2352 1 8 . 1 1 13 13 ALA H H 13 8.275 8.275 8.259 0.016 18944 2353 1 8 . 1 1 14 14 PHE N N 14 118.661 118.661 115.397 3.264 18944 2354 1 8 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.103 -0.140 18944 2355 1 8 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.584 0.674 18944 2356 1 8 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.380 -1.661 18944 2357 1 8 . 1 1 14 14 PHE H H 14 8.060 8.060 7.720 0.340 18944 2358 1 8 . 1 1 15 15 THR N N 15 113.672 113.672 114.005 -0.333 18944 2359 1 8 . 1 1 15 15 THR HA H 15 4.522 4.522 4.797 -0.275 18944 2360 1 8 . 1 1 15 15 THR CA C 15 60.272 60.272 60.390 -0.118 18944 2361 1 8 . 1 1 15 15 THR CB C 15 70.919 70.919 70.496 0.423 18944 2362 1 8 . 1 1 15 15 THR H H 15 9.139 9.139 8.468 0.671 18944 2363 1 8 . 1 1 16 16 SER N N 16 116.722 116.722 115.397 1.325 18944 2364 1 8 . 1 1 16 16 SER HA H 16 3.934 3.934 4.150 -0.216 18944 2365 1 8 . 1 1 16 16 SER CA C 16 62.071 62.071 62.162 -0.091 18944 2366 1 8 . 1 1 16 16 SER CB C 16 61.814 61.814 62.879 -1.065 18944 2367 1 8 . 1 1 16 16 SER H H 16 9.094 9.094 8.706 0.388 18944 2368 1 8 . 1 1 17 17 GLU N N 17 120.784 120.784 122.918 -2.134 18944 2369 1 8 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.935 0.087 18944 2370 1 8 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.370 0.757 18944 2371 1 8 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.540 -0.432 18944 2372 1 8 . 1 1 17 17 GLU H H 17 8.673 8.673 7.702 0.971 18944 2373 1 8 . 1 1 18 18 GLN N N 18 118.707 118.707 118.845 -0.138 18944 2374 1 8 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.985 -0.176 18944 2375 1 8 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.846 0.115 18944 2376 1 8 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.874 -0.894 18944 2377 1 8 . 1 1 18 18 GLN H H 18 7.748 7.748 8.025 -0.277 18944 2378 1 8 . 1 1 19 19 LEU N N 19 117.129 117.129 118.668 -1.539 18944 2379 1 8 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.721 -0.092 18944 2380 1 8 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.515 0.280 18944 2381 1 8 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.797 -0.186 18944 2382 1 8 . 1 1 19 19 LEU H H 19 8.109 8.109 8.145 -0.036 18944 2383 1 8 . 1 1 20 20 LEU N N 20 119.459 119.459 118.544 0.915 18944 2384 1 8 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.057 -0.055 18944 2385 1 8 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.204 -0.201 18944 2386 1 8 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.582 0.376 18944 2387 1 8 . 1 1 20 20 LEU H H 20 7.948 7.948 7.625 0.323 18944 2388 1 8 . 1 1 21 21 GLU N N 21 118.593 118.593 118.077 0.516 18944 2389 1 8 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.149 -0.063 18944 2390 1 8 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.633 -0.203 18944 2391 1 8 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.350 0.322 18944 2392 1 8 . 1 1 21 21 GLU H H 21 7.564 7.564 8.177 -0.613 18944 2393 1 8 . 1 1 22 22 LEU N N 22 122.405 122.405 119.811 2.594 18944 2394 1 8 . 1 1 22 22 LEU HA H 22 3.516 3.516 4.213 -0.697 18944 2395 1 8 . 1 1 22 22 LEU CA C 22 58.229 58.229 56.795 1.434 18944 2396 1 8 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.429 -3.433 18944 2397 1 8 . 1 1 22 22 LEU H H 22 8.148 8.148 7.663 0.485 18944 2398 1 8 . 1 1 23 23 GLU N N 23 118.202 118.202 118.814 -0.612 18944 2399 1 8 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.125 0.157 18944 2400 1 8 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.974 -0.157 18944 2401 1 8 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.104 -0.150 18944 2402 1 8 . 1 1 23 23 GLU H H 23 7.853 7.853 7.846 0.007 18944 2403 1 8 . 1 1 24 24 LYS N N 24 120.955 120.955 119.923 1.032 18944 2404 1 8 . 1 1 24 24 LYS HA H 24 4.026 4.026 3.981 0.045 18944 2405 1 8 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.686 0.168 18944 2406 1 8 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.347 -0.057 18944 2407 1 8 . 1 1 24 24 LYS H H 24 7.828 7.828 7.614 0.214 18944 2408 1 8 . 1 1 25 25 GLU N N 25 120.791 120.791 119.039 1.752 18944 2409 1 8 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.254 0.005 18944 2410 1 8 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.908 -0.188 18944 2411 1 8 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.263 -0.688 18944 2412 1 8 . 1 1 25 25 GLU H H 25 8.153 8.153 8.139 0.014 18944 2413 1 8 . 1 1 26 26 PHE N N 26 115.094 115.094 120.732 -5.638 18944 2414 1 8 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.760 -0.268 18944 2415 1 8 . 1 1 26 26 PHE CA C 26 56.446 56.446 59.928 -3.482 18944 2416 1 8 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.038 2.784 18944 2417 1 8 . 1 1 26 26 PHE H H 26 7.404 7.404 7.784 -0.380 18944 2418 1 8 . 1 1 27 27 HIS N N 27 115.592 115.592 118.254 -2.662 18944 2419 1 8 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.211 -0.158 18944 2420 1 8 . 1 1 27 27 HIS CA C 27 58.490 58.490 59.763 -1.273 18944 2421 1 8 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.547 -1.717 18944 2422 1 8 . 1 1 27 27 HIS H H 27 8.057 8.057 7.953 0.104 18944 2423 1 8 . 1 1 28 28 CYS N N 28 116.364 116.364 114.253 2.111 18944 2424 1 8 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.405 -0.380 18944 2425 1 8 . 1 1 28 28 CYS CA C 28 58.623 58.623 58.551 0.072 18944 2426 1 8 . 1 1 28 28 CYS CB C 28 29.921 29.921 29.801 0.120 18944 2427 1 8 . 1 1 28 28 CYS H H 28 7.972 7.972 7.837 0.135 18944 2428 1 8 . 1 1 29 29 LYS N N 29 122.054 122.054 122.027 0.027 18944 2429 1 8 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.329 -0.029 18944 2430 1 8 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.029 1.212 18944 2431 1 8 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.450 2.739 18944 2432 1 8 . 1 1 29 29 LYS H H 29 8.521 8.521 8.012 0.509 18944 2433 1 8 . 1 1 30 30 LYS N N 30 118.250 118.250 121.831 -3.581 18944 2434 1 8 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.562 0.141 18944 2435 1 8 . 1 1 30 30 LYS CA C 30 55.817 55.817 57.824 -2.007 18944 2436 1 8 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.556 -0.102 18944 2437 1 8 . 1 1 30 30 LYS H H 30 7.830 7.830 8.406 -0.577 18944 2438 1 8 . 1 1 31 31 TYR N N 31 112.854 112.854 113.235 -0.381 18944 2439 1 8 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.695 -0.215 18944 2440 1 8 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.213 0.159 18944 2441 1 8 . 1 1 31 31 TYR CB C 31 41.159 41.159 40.075 1.084 18944 2442 1 8 . 1 1 31 31 TYR H H 31 7.294 7.294 7.205 0.089 18944 2443 1 8 . 1 1 32 32 LEU N N 32 122.615 122.615 124.180 -1.565 18944 2444 1 8 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.327 0.383 18944 2445 1 8 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.126 -1.224 18944 2446 1 8 . 1 1 32 32 LEU CB C 32 44.626 44.626 41.654 2.972 18944 2447 1 8 . 1 1 32 32 LEU H H 32 8.426 8.426 8.321 0.105 18944 2448 1 8 . 1 1 33 33 SER N N 33 119.224 119.224 117.004 2.220 18944 2449 1 8 . 1 1 33 33 SER HA H 33 4.583 4.583 4.493 0.090 18944 2450 1 8 . 1 1 33 33 SER CA C 33 56.483 56.483 58.088 -1.605 18944 2451 1 8 . 1 1 33 33 SER CB C 33 65.258 65.258 64.394 0.864 18944 2452 1 8 . 1 1 33 33 SER H H 33 9.322 9.322 8.266 1.056 18944 2453 1 8 . 1 1 34 34 LEU N N 34 121.601 121.601 123.090 -1.489 18944 2454 1 8 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.021 -0.044 18944 2455 1 8 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.533 0.337 18944 2456 1 8 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.856 -0.493 18944 2457 1 8 . 1 1 34 34 LEU H H 34 8.808 8.808 8.708 0.100 18944 2458 1 8 . 1 1 35 35 THR N N 35 113.816 113.816 113.600 0.216 18944 2459 1 8 . 1 1 35 35 THR HA H 35 3.944 3.944 4.070 -0.126 18944 2460 1 8 . 1 1 35 35 THR CA C 35 65.721 65.721 65.918 -0.197 18944 2461 1 8 . 1 1 35 35 THR CB C 35 68.367 68.367 68.161 0.206 18944 2462 1 8 . 1 1 35 35 THR H H 35 8.104 8.104 8.018 0.086 18944 2463 1 8 . 1 1 36 36 GLU N N 36 123.125 123.125 121.259 1.866 18944 2464 1 8 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.041 -0.064 18944 2465 1 8 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.246 -0.368 18944 2466 1 8 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.750 1.657 18944 2467 1 8 . 1 1 36 36 GLU H H 36 7.691 7.691 8.370 -0.679 18944 2468 1 8 . 1 1 37 37 ARG N N 37 119.258 119.258 120.210 -0.952 18944 2469 1 8 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.929 -0.173 18944 2470 1 8 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.169 0.852 18944 2471 1 8 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.119 0.736 18944 2472 1 8 . 1 1 37 37 ARG H H 37 8.726 8.726 8.453 0.273 18944 2473 1 8 . 1 1 38 38 SER N N 38 113.573 113.573 114.275 -0.702 18944 2474 1 8 . 1 1 38 38 SER HA H 38 4.073 4.073 3.918 0.155 18944 2475 1 8 . 1 1 38 38 SER CA C 38 61.865 61.865 61.765 0.100 18944 2476 1 8 . 1 1 38 38 SER CB C 38 62.685 62.685 62.632 0.053 18944 2477 1 8 . 1 1 38 38 SER H H 38 8.039 8.039 7.588 0.451 18944 2478 1 8 . 1 1 39 39 GLN N N 39 121.912 121.912 120.147 1.765 18944 2479 1 8 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.905 0.210 18944 2480 1 8 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.751 0.334 18944 2481 1 8 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.706 -0.539 18944 2482 1 8 . 1 1 39 39 GLN H H 39 8.033 8.033 7.426 0.607 18944 2483 1 8 . 1 1 40 40 ILE N N 40 121.716 121.716 119.866 1.850 18944 2484 1 8 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.626 0.253 18944 2485 1 8 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.874 -0.513 18944 2486 1 8 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.539 0.590 18944 2487 1 8 . 1 1 40 40 ILE H H 40 8.205 8.205 7.675 0.530 18944 2488 1 8 . 1 1 41 41 ALA N N 41 122.005 122.005 121.664 0.341 18944 2489 1 8 . 1 1 41 41 ALA HA H 41 3.663 3.663 4.013 -0.350 18944 2490 1 8 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.044 0.903 18944 2491 1 8 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.371 -0.855 18944 2492 1 8 . 1 1 41 41 ALA H H 41 8.301 8.301 7.722 0.579 18944 2493 1 8 . 1 1 42 42 HIS N N 42 114.193 114.193 116.679 -2.486 18944 2494 1 8 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.397 -0.003 18944 2495 1 8 . 1 1 42 42 HIS CA C 42 58.649 58.649 57.319 1.330 18944 2496 1 8 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.433 -1.562 18944 2497 1 8 . 1 1 42 42 HIS H H 42 8.091 8.091 7.958 0.133 18944 2498 1 8 . 1 1 43 43 ALA N N 43 122.121 122.121 123.570 -1.449 18944 2499 1 8 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.189 -0.123 18944 2500 1 8 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.366 0.490 18944 2501 1 8 . 1 1 43 43 ALA CB C 43 18.317 18.317 19.089 -0.772 18944 2502 1 8 . 1 1 43 43 ALA H H 43 8.167 8.167 8.201 -0.034 18944 2503 1 8 . 1 1 44 44 LEU N N 44 114.117 114.117 118.710 -4.593 18944 2504 1 8 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.351 -0.024 18944 2505 1 8 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.558 -0.387 18944 2506 1 8 . 1 1 44 44 LEU CB C 44 42.472 42.472 41.067 1.405 18944 2507 1 8 . 1 1 44 44 LEU H H 44 8.037 8.037 7.768 0.269 18944 2508 1 8 . 1 1 45 45 LYS N N 45 117.081 117.081 117.994 -0.913 18944 2509 1 8 . 1 1 45 45 LYS HA H 45 3.948 3.948 4.020 -0.072 18944 2510 1 8 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.840 0.374 18944 2511 1 8 . 1 1 45 45 LYS CB C 45 28.359 28.359 29.959 -1.600 18944 2512 1 8 . 1 1 45 45 LYS H H 45 7.806 7.806 7.749 0.057 18944 2513 1 8 . 1 1 46 46 LEU N N 46 119.781 119.781 120.965 -1.184 18944 2514 1 8 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.612 0.167 18944 2515 1 8 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.560 -1.185 18944 2516 1 8 . 1 1 46 46 LEU CB C 46 47.430 47.430 45.779 1.651 18944 2517 1 8 . 1 1 46 46 LEU H H 46 8.393 8.393 8.327 0.066 18944 2518 1 8 . 1 1 47 47 SER N N 47 114.982 114.982 113.531 1.451 18944 2519 1 8 . 1 1 47 47 SER HA H 47 4.772 4.772 4.828 -0.056 18944 2520 1 8 . 1 1 47 47 SER CA C 47 56.659 56.659 56.895 -0.236 18944 2521 1 8 . 1 1 47 47 SER CB C 47 64.905 64.905 65.767 -0.862 18944 2522 1 8 . 1 1 47 47 SER H H 47 8.817 8.817 8.146 0.671 18944 2523 1 8 . 1 1 48 48 GLU N N 48 122.917 122.917 123.688 -0.771 18944 2524 1 8 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.041 -0.378 18944 2525 1 8 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.233 0.909 18944 2526 1 8 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.588 -0.595 18944 2527 1 8 . 1 1 48 48 GLU H H 48 9.232 9.232 9.111 0.121 18944 2528 1 8 . 1 1 49 49 VAL N N 49 118.250 118.250 119.481 -1.231 18944 2529 1 8 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.768 0.002 18944 2530 1 8 . 1 1 49 49 VAL CA C 49 65.693 65.693 65.963 -0.270 18944 2531 1 8 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.490 0.330 18944 2532 1 8 . 1 1 49 49 VAL H H 49 8.015 8.015 8.142 -0.127 18944 2533 1 8 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.209 -0.054 18944 2534 1 8 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.529 -0.288 18944 2535 1 8 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.597 0.920 18944 2536 1 8 . 1 1 50 50 GLN H H 50 7.714 7.714 7.837 -0.123 18944 2537 1 8 . 1 1 51 51 VAL N N 51 119.155 119.155 120.453 -1.298 18944 2538 1 8 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.823 -0.130 18944 2539 1 8 . 1 1 51 51 VAL CA C 51 67.404 67.404 67.143 0.261 18944 2540 1 8 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.290 0.903 18944 2541 1 8 . 1 1 51 51 VAL H H 51 7.705 7.705 8.259 -0.554 18944 2542 1 8 . 1 1 52 52 LYS N N 52 121.165 121.165 120.657 0.508 18944 2543 1 8 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.094 0.179 18944 2544 1 8 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.002 -0.156 18944 2545 1 8 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.454 0.741 18944 2546 1 8 . 1 1 52 52 LYS H H 52 8.545 8.545 8.051 0.494 18944 2547 1 8 . 1 1 53 53 ILE N N 53 120.436 120.436 119.495 0.941 18944 2548 1 8 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.839 -0.010 18944 2549 1 8 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.681 -1.450 18944 2550 1 8 . 1 1 53 53 ILE CB C 53 37.978 37.978 38.058 -0.080 18944 2551 1 8 . 1 1 53 53 ILE H H 53 8.733 8.733 8.429 0.304 18944 2552 1 8 . 1 1 54 54 TRP N N 54 122.076 122.076 121.669 0.407 18944 2553 1 8 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.108 -0.094 18944 2554 1 8 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.909 1.493 18944 2555 1 8 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.490 -0.633 18944 2556 1 8 . 1 1 54 54 TRP H H 54 8.522 8.522 8.254 0.268 18944 2557 1 8 . 1 1 55 55 PHE N N 55 119.314 119.314 118.290 1.024 18944 2558 1 8 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.042 -0.324 18944 2559 1 8 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.873 0.500 18944 2560 1 8 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.938 0.388 18944 2561 1 8 . 1 1 55 55 PHE H H 55 9.087 9.087 9.112 -0.025 18944 2562 1 8 . 1 1 56 56 GLN N N 56 119.067 119.067 118.544 0.523 18944 2563 1 8 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.986 0.009 18944 2564 1 8 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.577 -0.098 18944 2565 1 8 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.356 0.172 18944 2566 1 8 . 1 1 56 56 GLN H H 56 8.148 8.148 8.590 -0.442 18944 2567 1 8 . 1 1 57 57 ASN N N 57 119.662 119.662 118.385 1.277 18944 2568 1 8 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.433 -0.079 18944 2569 1 8 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.514 -0.197 18944 2570 1 8 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.032 -0.307 18944 2571 1 8 . 1 1 57 57 ASN H H 57 8.396 8.396 8.017 0.379 18944 2572 1 8 . 1 1 58 58 ARG N N 58 124.411 124.411 120.785 3.626 18944 2573 1 8 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.441 0.067 18944 2574 1 8 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.116 -1.971 18944 2575 1 8 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.142 -1.185 18944 2576 1 8 . 1 1 58 58 ARG H H 58 8.454 8.454 8.112 0.342 18944 2577 1 8 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.196 0.158 18944 2578 1 8 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.010 1.449 18944 2579 1 8 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.353 1.665 18944 2580 1 8 . 1 1 60 60 ALA N N 60 121.683 121.683 122.161 -0.478 18944 2581 1 8 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.092 0.103 18944 2582 1 8 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.061 -0.115 18944 2583 1 8 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.023 -0.351 18944 2584 1 8 . 1 1 60 60 ALA H H 60 7.524 7.524 7.480 0.044 18944 2585 1 8 . 1 1 61 61 LYS N N 61 118.243 118.243 118.663 -0.420 18944 2586 1 8 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.977 0.049 18944 2587 1 8 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.187 -0.583 18944 2588 1 8 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.320 0.407 18944 2589 1 8 . 1 1 61 61 LYS H H 61 7.352 7.352 7.319 0.033 18944 2590 1 8 . 1 1 62 62 TRP N N 62 121.102 121.102 121.224 -0.122 18944 2591 1 8 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.380 0.263 18944 2592 1 8 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.927 -2.004 18944 2593 1 8 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.550 0.036 18944 2594 1 8 . 1 1 62 62 TRP H H 62 7.934 7.934 7.696 0.238 18944 2595 1 8 . 1 1 63 63 LYS N N 63 118.454 118.454 117.410 1.044 18944 2596 1 8 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.648 0.009 18944 2597 1 8 . 1 1 63 63 LYS CA C 63 57.708 57.708 58.694 -0.986 18944 2598 1 8 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.945 0.728 18944 2599 1 8 . 1 1 63 63 LYS H H 63 8.328 8.328 7.522 0.806 18944 2600 1 8 . 1 1 64 64 ARG N N 64 119.371 119.371 115.550 3.821 18944 2601 1 8 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.311 -0.217 18944 2602 1 8 . 1 1 64 64 ARG CA C 64 57.575 57.575 55.465 2.110 18944 2603 1 8 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.224 -0.181 18944 2604 1 8 . 1 1 64 64 ARG H H 64 7.605 7.605 7.479 0.126 18944 2605 1 8 . 1 1 65 65 ILE N N 65 120.717 120.717 117.273 3.444 18944 2606 1 8 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.580 -0.586 18944 2607 1 8 . 1 1 65 65 ILE CA C 65 62.122 62.122 61.411 0.711 18944 2608 1 8 . 1 1 65 65 ILE CB C 65 38.200 38.200 40.876 -2.676 18944 2609 1 8 . 1 1 65 65 ILE H H 65 7.933 7.933 7.746 0.187 18944 2610 1 8 . 1 1 66 66 LYS N N 66 123.684 123.684 121.021 2.663 18944 2611 1 8 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.115 0.025 18944 2612 1 8 . 1 1 66 66 LYS CA C 66 56.691 56.691 57.561 -0.870 18944 2613 1 8 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.575 0.781 18944 2614 1 8 . 1 1 66 66 LYS H H 66 8.180 8.180 7.955 0.225 18944 2615 1 8 . 1 1 67 67 ALA N N 67 123.678 123.678 128.513 -4.835 18944 2616 1 8 . 1 1 67 67 ALA HA H 67 4.274 4.274 3.923 0.351 18944 2617 1 8 . 1 1 67 67 ALA CA C 67 52.548 52.548 53.395 -0.847 18944 2618 1 8 . 1 1 67 67 ALA CB C 67 19.080 19.080 17.629 1.451 18944 2619 1 8 . 1 1 67 67 ALA H H 67 7.959 7.959 8.846 -0.887 18944 2620 1 8 . 1 1 68 68 GLY N N 68 107.345 107.345 107.988 -0.643 18944 2621 1 8 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.635 0.639 18944 2622 1 8 . 1 1 68 68 GLY H H 68 8.157 8.157 8.134 0.023 18944 2623 1 8 . 1 1 69 69 ASN N N 69 118.854 118.854 123.898 -5.044 18944 2624 1 8 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.917 -0.160 18944 2625 1 8 . 1 1 69 69 ASN CA C 69 53.066 53.066 51.852 1.214 18944 2626 1 8 . 1 1 69 69 ASN CB C 69 38.948 38.948 38.843 0.105 18944 2627 1 8 . 1 1 69 69 ASN H H 69 8.230 8.230 8.369 -0.139 18944 2628 1 8 . 1 1 70 70 VAL N N 70 119.499 119.499 122.328 -2.829 18944 2629 1 8 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.118 0.088 18944 2630 1 8 . 1 1 70 70 VAL CA C 70 62.062 62.062 62.642 -0.580 18944 2631 1 8 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.502 0.302 18944 2632 1 8 . 1 1 70 70 VAL H H 70 8.109 8.109 8.614 -0.505 18944 2633 1 9 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.459 -0.019 18944 2634 1 9 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.520 0.781 18944 2635 1 9 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.573 -0.703 18944 2636 1 9 . 1 1 4 4 GLY N N 4 109.613 109.613 109.836 -0.223 18944 2637 1 9 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.024 0.220 18944 2638 1 9 . 1 1 4 4 GLY H H 4 8.536 8.536 8.597 -0.061 18944 2639 1 9 . 1 1 5 5 GLY N N 5 108.797 108.797 110.345 -1.548 18944 2640 1 9 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.028 0.224 18944 2641 1 9 . 1 1 5 5 GLY H H 5 8.298 8.298 7.840 0.458 18944 2642 1 9 . 1 1 6 6 LYS N N 6 120.988 120.988 121.528 -0.540 18944 2643 1 9 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.808 -0.861 18944 2644 1 9 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.850 1.408 18944 2645 1 9 . 1 1 6 6 LYS CB C 6 32.910 32.910 35.521 -2.611 18944 2646 1 9 . 1 1 6 6 LYS H H 6 8.313 8.313 8.833 -0.520 18944 2647 1 9 . 1 1 7 7 SER N N 7 116.912 116.912 118.266 -1.354 18944 2648 1 9 . 1 1 7 7 SER HA H 7 4.420 4.420 4.858 -0.438 18944 2649 1 9 . 1 1 7 7 SER CA C 7 58.338 58.338 57.502 0.836 18944 2650 1 9 . 1 1 7 7 SER CB C 7 63.540 63.540 65.499 -1.959 18944 2651 1 9 . 1 1 7 7 SER H H 7 8.345 8.345 8.345 -0.000 18944 2652 1 9 . 1 1 8 8 ARG N N 8 123.496 123.496 121.665 1.831 18944 2653 1 9 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.637 -0.298 18944 2654 1 9 . 1 1 8 8 ARG CA C 8 56.038 56.038 55.452 0.586 18944 2655 1 9 . 1 1 8 8 ARG CB C 8 30.596 30.596 30.626 -0.030 18944 2656 1 9 . 1 1 8 8 ARG H H 8 8.410 8.410 8.626 -0.216 18944 2657 1 9 . 1 1 9 9 ARG N N 9 122.569 122.569 125.711 -3.142 18944 2658 1 9 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.109 0.199 18944 2659 1 9 . 1 1 9 9 ARG CA C 9 55.979 55.979 57.025 -1.046 18944 2660 1 9 . 1 1 9 9 ARG CB C 9 30.700 30.700 30.625 0.076 18944 2661 1 9 . 1 1 9 9 ARG H H 9 8.340 8.340 8.865 -0.525 18944 2662 1 9 . 1 1 10 10 ARG N N 10 123.464 123.464 113.279 10.185 18944 2663 1 9 . 1 1 10 10 ARG HA H 10 4.328 4.328 3.935 0.393 18944 2664 1 9 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.517 -1.591 18944 2665 1 9 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.025 2.796 18944 2666 1 9 . 1 1 10 10 ARG H H 10 8.457 8.457 8.631 -0.174 18944 2667 1 9 . 1 1 11 11 ARG N N 11 123.477 123.477 116.836 6.641 18944 2668 1 9 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.443 -0.054 18944 2669 1 9 . 1 1 11 11 ARG CA C 11 55.969 55.969 54.501 1.468 18944 2670 1 9 . 1 1 11 11 ARG CB C 11 30.839 30.839 33.376 -2.537 18944 2671 1 9 . 1 1 11 11 ARG H H 11 8.540 8.540 7.835 0.705 18944 2672 1 9 . 1 1 12 12 THR N N 12 116.338 116.338 113.543 2.795 18944 2673 1 9 . 1 1 12 12 THR HA H 12 4.289 4.289 3.983 0.306 18944 2674 1 9 . 1 1 12 12 THR CA C 12 61.393 61.393 62.259 -0.866 18944 2675 1 9 . 1 1 12 12 THR CB C 12 69.660 69.660 68.623 1.037 18944 2676 1 9 . 1 1 12 12 THR H H 12 8.249 8.249 8.289 -0.040 18944 2677 1 9 . 1 1 13 13 ALA N N 13 127.182 127.182 128.941 -1.759 18944 2678 1 9 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.701 0.604 18944 2679 1 9 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.844 -1.821 18944 2680 1 9 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.159 1.495 18944 2681 1 9 . 1 1 13 13 ALA H H 13 8.275 8.275 8.513 -0.238 18944 2682 1 9 . 1 1 14 14 PHE N N 14 118.661 118.661 115.384 3.277 18944 2683 1 9 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.138 -0.175 18944 2684 1 9 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.064 0.194 18944 2685 1 9 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.817 -1.098 18944 2686 1 9 . 1 1 14 14 PHE H H 14 8.060 8.060 7.983 0.077 18944 2687 1 9 . 1 1 15 15 THR N N 15 113.672 113.672 110.015 3.657 18944 2688 1 9 . 1 1 15 15 THR HA H 15 4.522 4.522 4.821 -0.299 18944 2689 1 9 . 1 1 15 15 THR CA C 15 60.272 60.272 59.835 0.437 18944 2690 1 9 . 1 1 15 15 THR CB C 15 70.919 70.919 71.738 -0.819 18944 2691 1 9 . 1 1 15 15 THR H H 15 9.139 9.139 7.921 1.218 18944 2692 1 9 . 1 1 16 16 SER N N 16 116.722 116.722 115.522 1.200 18944 2693 1 9 . 1 1 16 16 SER HA H 16 3.934 3.934 4.279 -0.345 18944 2694 1 9 . 1 1 16 16 SER CA C 16 62.071 62.071 61.122 0.949 18944 2695 1 9 . 1 1 16 16 SER CB C 16 61.814 61.814 62.866 -1.052 18944 2696 1 9 . 1 1 16 16 SER H H 16 9.094 9.094 8.645 0.449 18944 2697 1 9 . 1 1 17 17 GLU N N 17 120.784 120.784 121.472 -0.688 18944 2698 1 9 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.191 -0.169 18944 2699 1 9 . 1 1 17 17 GLU CA C 17 60.127 60.127 58.589 1.538 18944 2700 1 9 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.982 -0.874 18944 2701 1 9 . 1 1 17 17 GLU H H 17 8.673 8.673 7.603 1.070 18944 2702 1 9 . 1 1 18 18 GLN N N 18 118.707 118.707 119.822 -1.115 18944 2703 1 9 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.012 -0.203 18944 2704 1 9 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.916 0.045 18944 2705 1 9 . 1 1 18 18 GLN CB C 18 27.980 27.980 29.002 -1.022 18944 2706 1 9 . 1 1 18 18 GLN H H 18 7.748 7.748 7.595 0.153 18944 2707 1 9 . 1 1 19 19 LEU N N 19 117.129 117.129 118.451 -1.322 18944 2708 1 9 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.568 0.061 18944 2709 1 9 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.900 0.895 18944 2710 1 9 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.543 0.068 18944 2711 1 9 . 1 1 19 19 LEU H H 19 8.109 8.109 8.352 -0.243 18944 2712 1 9 . 1 1 20 20 LEU N N 20 119.459 119.459 119.576 -0.117 18944 2713 1 9 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.049 -0.047 18944 2714 1 9 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.532 0.471 18944 2715 1 9 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.072 -0.114 18944 2716 1 9 . 1 1 20 20 LEU H H 20 7.948 7.948 7.041 0.907 18944 2717 1 9 . 1 1 21 21 GLU N N 21 118.593 118.593 118.496 0.097 18944 2718 1 9 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.008 0.078 18944 2719 1 9 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.212 -0.782 18944 2720 1 9 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.514 0.159 18944 2721 1 9 . 1 1 21 21 GLU H H 21 7.564 7.564 7.780 -0.216 18944 2722 1 9 . 1 1 22 22 LEU N N 22 122.405 122.405 119.083 3.322 18944 2723 1 9 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.905 -0.389 18944 2724 1 9 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.975 0.254 18944 2725 1 9 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.900 -2.904 18944 2726 1 9 . 1 1 22 22 LEU H H 22 8.148 8.148 7.866 0.282 18944 2727 1 9 . 1 1 23 23 GLU N N 23 118.202 118.202 116.595 1.607 18944 2728 1 9 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.221 0.061 18944 2729 1 9 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.797 0.019 18944 2730 1 9 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.072 -0.118 18944 2731 1 9 . 1 1 23 23 GLU H H 23 7.853 7.853 7.906 -0.053 18944 2732 1 9 . 1 1 24 24 LYS N N 24 120.955 120.955 120.786 0.169 18944 2733 1 9 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.156 -0.130 18944 2734 1 9 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.250 0.604 18944 2735 1 9 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.153 0.137 18944 2736 1 9 . 1 1 24 24 LYS H H 24 7.828 7.828 7.412 0.416 18944 2737 1 9 . 1 1 25 25 GLU N N 25 120.791 120.791 118.678 2.113 18944 2738 1 9 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.205 0.054 18944 2739 1 9 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.021 -0.301 18944 2740 1 9 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.604 -1.029 18944 2741 1 9 . 1 1 25 25 GLU H H 25 8.153 8.153 7.839 0.314 18944 2742 1 9 . 1 1 26 26 PHE N N 26 115.094 115.094 118.235 -3.141 18944 2743 1 9 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.767 -0.275 18944 2744 1 9 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.600 -2.154 18944 2745 1 9 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.038 2.784 18944 2746 1 9 . 1 1 26 26 PHE H H 26 7.404 7.404 7.655 -0.251 18944 2747 1 9 . 1 1 27 27 HIS N N 27 115.592 115.592 118.797 -3.205 18944 2748 1 9 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.338 -0.285 18944 2749 1 9 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.703 -2.213 18944 2750 1 9 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.739 -1.909 18944 2751 1 9 . 1 1 27 27 HIS H H 27 8.057 8.057 7.589 0.468 18944 2752 1 9 . 1 1 28 28 CYS N N 28 116.364 116.364 115.869 0.495 18944 2753 1 9 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.356 -0.331 18944 2754 1 9 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.364 -1.741 18944 2755 1 9 . 1 1 28 28 CYS CB C 28 29.921 29.921 28.367 1.554 18944 2756 1 9 . 1 1 28 28 CYS H H 28 7.972 7.972 8.298 -0.326 18944 2757 1 9 . 1 1 29 29 LYS N N 29 122.054 122.054 120.918 1.136 18944 2758 1 9 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.346 -0.046 18944 2759 1 9 . 1 1 29 29 LYS CA C 29 56.241 56.241 54.187 2.054 18944 2760 1 9 . 1 1 29 29 LYS CB C 29 35.189 35.189 31.660 3.529 18944 2761 1 9 . 1 1 29 29 LYS H H 29 8.521 8.521 7.924 0.597 18944 2762 1 9 . 1 1 30 30 LYS N N 30 118.250 118.250 121.590 -3.340 18944 2763 1 9 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.290 0.413 18944 2764 1 9 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.968 -1.151 18944 2765 1 9 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.048 0.406 18944 2766 1 9 . 1 1 30 30 LYS H H 30 7.830 7.830 8.477 -0.647 18944 2767 1 9 . 1 1 31 31 TYR N N 31 112.854 112.854 111.710 1.144 18944 2768 1 9 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.760 -0.280 18944 2769 1 9 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.123 0.249 18944 2770 1 9 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.432 1.727 18944 2771 1 9 . 1 1 31 31 TYR H H 31 7.294 7.294 7.086 0.208 18944 2772 1 9 . 1 1 32 32 LEU N N 32 122.615 122.615 120.839 1.776 18944 2773 1 9 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.544 0.166 18944 2774 1 9 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.764 -0.862 18944 2775 1 9 . 1 1 32 32 LEU CB C 32 44.626 44.626 42.778 1.848 18944 2776 1 9 . 1 1 32 32 LEU H H 32 8.426 8.426 8.059 0.367 18944 2777 1 9 . 1 1 33 33 SER N N 33 119.224 119.224 113.384 5.840 18944 2778 1 9 . 1 1 33 33 SER HA H 33 4.583 4.583 4.751 -0.168 18944 2779 1 9 . 1 1 33 33 SER CA C 33 56.483 56.483 56.487 -0.004 18944 2780 1 9 . 1 1 33 33 SER CB C 33 65.258 65.258 64.896 0.362 18944 2781 1 9 . 1 1 33 33 SER H H 33 9.322 9.322 7.900 1.422 18944 2782 1 9 . 1 1 34 34 LEU N N 34 121.601 121.601 122.084 -0.483 18944 2783 1 9 . 1 1 34 34 LEU HA H 34 3.977 3.977 3.959 0.018 18944 2784 1 9 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.875 -0.004 18944 2785 1 9 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.956 -0.593 18944 2786 1 9 . 1 1 34 34 LEU H H 34 8.808 8.808 8.743 0.065 18944 2787 1 9 . 1 1 35 35 THR N N 35 113.816 113.816 113.068 0.748 18944 2788 1 9 . 1 1 35 35 THR HA H 35 3.944 3.944 3.902 0.042 18944 2789 1 9 . 1 1 35 35 THR CA C 35 65.721 65.721 66.806 -1.085 18944 2790 1 9 . 1 1 35 35 THR CB C 35 68.367 68.367 68.303 0.064 18944 2791 1 9 . 1 1 35 35 THR H H 35 8.104 8.104 8.194 -0.090 18944 2792 1 9 . 1 1 36 36 GLU N N 36 123.125 123.125 120.694 2.431 18944 2793 1 9 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.941 0.036 18944 2794 1 9 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.588 -0.710 18944 2795 1 9 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.980 1.427 18944 2796 1 9 . 1 1 36 36 GLU H H 36 7.691 7.691 7.940 -0.249 18944 2797 1 9 . 1 1 37 37 ARG N N 37 119.258 119.258 119.975 -0.717 18944 2798 1 9 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.955 -0.199 18944 2799 1 9 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.022 0.999 18944 2800 1 9 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.245 0.610 18944 2801 1 9 . 1 1 37 37 ARG H H 37 8.726 8.726 8.544 0.182 18944 2802 1 9 . 1 1 38 38 SER N N 38 113.573 113.573 114.756 -1.183 18944 2803 1 9 . 1 1 38 38 SER HA H 38 4.073 4.073 3.964 0.109 18944 2804 1 9 . 1 1 38 38 SER CA C 38 61.865 61.865 61.748 0.117 18944 2805 1 9 . 1 1 38 38 SER CB C 38 62.685 62.685 62.653 0.032 18944 2806 1 9 . 1 1 38 38 SER H H 38 8.039 8.039 8.333 -0.294 18944 2807 1 9 . 1 1 39 39 GLN N N 39 121.912 121.912 120.301 1.611 18944 2808 1 9 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.932 0.183 18944 2809 1 9 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.829 0.256 18944 2810 1 9 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.685 -0.518 18944 2811 1 9 . 1 1 39 39 GLN H H 39 8.033 8.033 7.353 0.680 18944 2812 1 9 . 1 1 40 40 ILE N N 40 121.716 121.716 120.179 1.537 18944 2813 1 9 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.647 0.232 18944 2814 1 9 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.972 -0.611 18944 2815 1 9 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.563 0.566 18944 2816 1 9 . 1 1 40 40 ILE H H 40 8.205 8.205 7.768 0.437 18944 2817 1 9 . 1 1 41 41 ALA N N 41 122.005 122.005 122.207 -0.202 18944 2818 1 9 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.977 -0.314 18944 2819 1 9 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.167 0.780 18944 2820 1 9 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.240 -0.724 18944 2821 1 9 . 1 1 41 41 ALA H H 41 8.301 8.301 8.056 0.245 18944 2822 1 9 . 1 1 42 42 HIS N N 42 114.193 114.193 118.326 -4.133 18944 2823 1 9 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.236 0.158 18944 2824 1 9 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.737 -0.088 18944 2825 1 9 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.070 -1.199 18944 2826 1 9 . 1 1 42 42 HIS H H 42 8.091 8.091 8.523 -0.432 18944 2827 1 9 . 1 1 43 43 ALA N N 43 122.121 122.121 122.817 -0.696 18944 2828 1 9 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.148 -0.082 18944 2829 1 9 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.834 0.022 18944 2830 1 9 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.853 -0.536 18944 2831 1 9 . 1 1 43 43 ALA H H 43 8.167 8.167 8.328 -0.161 18944 2832 1 9 . 1 1 44 44 LEU N N 44 114.117 114.117 117.303 -3.186 18944 2833 1 9 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.312 0.015 18944 2834 1 9 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.352 -0.180 18944 2835 1 9 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.268 0.204 18944 2836 1 9 . 1 1 44 44 LEU H H 44 8.037 8.037 7.890 0.147 18944 2837 1 9 . 1 1 45 45 LYS N N 45 117.081 117.081 118.164 -1.083 18944 2838 1 9 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.909 0.039 18944 2839 1 9 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.440 -0.226 18944 2840 1 9 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.277 -1.918 18944 2841 1 9 . 1 1 45 45 LYS H H 45 7.806 7.806 7.593 0.213 18944 2842 1 9 . 1 1 46 46 LEU N N 46 119.781 119.781 117.779 2.002 18944 2843 1 9 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.798 -0.019 18944 2844 1 9 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.946 -1.571 18944 2845 1 9 . 1 1 46 46 LEU CB C 46 47.430 47.430 44.387 3.043 18944 2846 1 9 . 1 1 46 46 LEU H H 46 8.393 8.393 7.797 0.596 18944 2847 1 9 . 1 1 47 47 SER N N 47 114.982 114.982 113.173 1.809 18944 2848 1 9 . 1 1 47 47 SER HA H 47 4.772 4.772 4.777 -0.005 18944 2849 1 9 . 1 1 47 47 SER CA C 47 56.659 56.659 57.015 -0.356 18944 2850 1 9 . 1 1 47 47 SER CB C 47 64.905 64.905 66.052 -1.147 18944 2851 1 9 . 1 1 47 47 SER H H 47 8.817 8.817 8.157 0.660 18944 2852 1 9 . 1 1 48 48 GLU N N 48 122.917 122.917 122.630 0.287 18944 2853 1 9 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.085 -0.422 18944 2854 1 9 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.002 1.140 18944 2855 1 9 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.604 -0.611 18944 2856 1 9 . 1 1 48 48 GLU H H 48 9.232 9.232 8.966 0.266 18944 2857 1 9 . 1 1 49 49 VAL N N 49 118.250 118.250 119.562 -1.312 18944 2858 1 9 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.693 0.077 18944 2859 1 9 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.216 -0.523 18944 2860 1 9 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.514 0.306 18944 2861 1 9 . 1 1 49 49 VAL H H 49 8.015 8.015 8.201 -0.186 18944 2862 1 9 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.108 0.047 18944 2863 1 9 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.189 0.052 18944 2864 1 9 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.498 1.019 18944 2865 1 9 . 1 1 50 50 GLN H H 50 7.714 7.714 7.774 -0.060 18944 2866 1 9 . 1 1 51 51 VAL N N 51 119.155 119.155 120.458 -1.303 18944 2867 1 9 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.889 -0.196 18944 2868 1 9 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.968 0.436 18944 2869 1 9 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.275 0.918 18944 2870 1 9 . 1 1 51 51 VAL H H 51 7.705 7.705 8.197 -0.492 18944 2871 1 9 . 1 1 52 52 LYS N N 52 121.165 121.165 120.817 0.348 18944 2872 1 9 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.051 0.222 18944 2873 1 9 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.064 -0.218 18944 2874 1 9 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.454 0.741 18944 2875 1 9 . 1 1 52 52 LYS H H 52 8.545 8.545 8.050 0.495 18944 2876 1 9 . 1 1 53 53 ILE N N 53 120.436 120.436 119.023 1.413 18944 2877 1 9 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.756 0.073 18944 2878 1 9 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.197 -0.966 18944 2879 1 9 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.939 0.039 18944 2880 1 9 . 1 1 53 53 ILE H H 53 8.733 8.733 8.442 0.291 18944 2881 1 9 . 1 1 54 54 TRP N N 54 122.076 122.076 121.575 0.501 18944 2882 1 9 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.199 -0.185 18944 2883 1 9 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.968 1.435 18944 2884 1 9 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.637 -0.780 18944 2885 1 9 . 1 1 54 54 TRP H H 54 8.522 8.522 8.207 0.315 18944 2886 1 9 . 1 1 55 55 PHE N N 55 119.314 119.314 118.078 1.236 18944 2887 1 9 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.901 -0.183 18944 2888 1 9 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.665 0.708 18944 2889 1 9 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.802 0.523 18944 2890 1 9 . 1 1 55 55 PHE H H 55 9.087 9.087 9.166 -0.079 18944 2891 1 9 . 1 1 56 56 GLN N N 56 119.067 119.067 118.233 0.834 18944 2892 1 9 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.909 0.086 18944 2893 1 9 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.683 -0.205 18944 2894 1 9 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.471 0.057 18944 2895 1 9 . 1 1 56 56 GLN H H 56 8.148 8.148 8.698 -0.550 18944 2896 1 9 . 1 1 57 57 ASN N N 57 119.662 119.662 118.657 1.005 18944 2897 1 9 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.383 -0.029 18944 2898 1 9 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.044 -0.727 18944 2899 1 9 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.044 -0.319 18944 2900 1 9 . 1 1 57 57 ASN H H 57 8.396 8.396 7.991 0.405 18944 2901 1 9 . 1 1 58 58 ARG N N 58 124.411 124.411 119.919 4.492 18944 2902 1 9 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.563 -0.055 18944 2903 1 9 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.912 -2.767 18944 2904 1 9 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.032 -1.075 18944 2905 1 9 . 1 1 58 58 ARG H H 58 8.454 8.454 7.800 0.654 18944 2906 1 9 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.392 -0.038 18944 2907 1 9 . 1 1 59 59 ARG CA C 59 60.459 60.459 60.121 0.338 18944 2908 1 9 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.176 1.842 18944 2909 1 9 . 1 1 60 60 ALA N N 60 121.683 121.683 121.412 0.271 18944 2910 1 9 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.098 0.097 18944 2911 1 9 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.167 -0.221 18944 2912 1 9 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.069 -0.398 18944 2913 1 9 . 1 1 60 60 ALA H H 60 7.524 7.524 7.795 -0.271 18944 2914 1 9 . 1 1 61 61 LYS N N 61 118.243 118.243 119.015 -0.772 18944 2915 1 9 . 1 1 61 61 LYS HA H 61 4.026 4.026 4.011 0.015 18944 2916 1 9 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.088 -0.484 18944 2917 1 9 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.477 0.250 18944 2918 1 9 . 1 1 61 61 LYS H H 61 7.352 7.352 7.361 -0.009 18944 2919 1 9 . 1 1 62 62 TRP N N 62 121.102 121.102 121.610 -0.508 18944 2920 1 9 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.313 0.330 18944 2921 1 9 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.721 -1.798 18944 2922 1 9 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.524 0.062 18944 2923 1 9 . 1 1 62 62 TRP H H 62 7.934 7.934 8.383 -0.449 18944 2924 1 9 . 1 1 63 63 LYS N N 63 118.454 118.454 117.581 0.873 18944 2925 1 9 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.345 0.312 18944 2926 1 9 . 1 1 63 63 LYS CA C 63 57.708 57.708 60.014 -2.306 18944 2927 1 9 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.741 0.932 18944 2928 1 9 . 1 1 63 63 LYS H H 63 8.328 8.328 8.322 0.006 18944 2929 1 9 . 1 1 64 64 ARG N N 64 119.371 119.371 117.805 1.566 18944 2930 1 9 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.076 0.018 18944 2931 1 9 . 1 1 64 64 ARG CA C 64 57.575 57.575 58.954 -1.379 18944 2932 1 9 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.114 -0.073 18944 2933 1 9 . 1 1 64 64 ARG H H 64 7.605 7.605 7.672 -0.067 18944 2934 1 9 . 1 1 65 65 ILE N N 65 120.717 120.717 120.077 0.640 18944 2935 1 9 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.767 0.227 18944 2936 1 9 . 1 1 65 65 ILE CA C 65 62.122 62.122 64.417 -2.295 18944 2937 1 9 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.006 0.194 18944 2938 1 9 . 1 1 65 65 ILE H H 65 7.933 7.933 7.664 0.269 18944 2939 1 9 . 1 1 66 66 LYS N N 66 123.684 123.684 118.740 4.944 18944 2940 1 9 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.050 0.090 18944 2941 1 9 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.346 -1.655 18944 2942 1 9 . 1 1 66 66 LYS CB C 66 32.356 32.356 33.127 -0.771 18944 2943 1 9 . 1 1 66 66 LYS H H 66 8.180 8.180 7.920 0.261 18944 2944 1 9 . 1 1 67 67 ALA N N 67 123.678 123.678 118.064 5.614 18944 2945 1 9 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.553 -0.279 18944 2946 1 9 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.345 1.203 18944 2947 1 9 . 1 1 67 67 ALA CB C 67 19.080 19.080 20.652 -1.572 18944 2948 1 9 . 1 1 67 67 ALA H H 67 7.959 7.959 7.914 0.045 18944 2949 1 9 . 1 1 68 68 GLY N N 68 107.345 107.345 107.105 0.240 18944 2950 1 9 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.790 0.484 18944 2951 1 9 . 1 1 68 68 GLY H H 68 8.157 8.157 7.422 0.735 18944 2952 1 9 . 1 1 69 69 ASN N N 69 118.854 118.854 121.513 -2.659 18944 2953 1 9 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.303 0.454 18944 2954 1 9 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.770 -0.703 18944 2955 1 9 . 1 1 69 69 ASN CB C 69 38.948 38.948 37.329 1.619 18944 2956 1 9 . 1 1 69 69 ASN H H 69 8.230 8.230 8.576 -0.346 18944 2957 1 9 . 1 1 70 70 VAL N N 70 119.499 119.499 118.828 0.671 18944 2958 1 9 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.983 0.223 18944 2959 1 9 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.264 -1.202 18944 2960 1 9 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.018 0.786 18944 2961 1 9 . 1 1 70 70 VAL H H 70 8.109 8.109 8.606 -0.497 18944 2962 1 10 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.523 -0.083 18944 2963 1 10 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.055 0.246 18944 2964 1 10 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.551 -0.681 18944 2965 1 10 . 1 1 4 4 GLY N N 4 109.613 109.613 106.112 3.501 18944 2966 1 10 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.236 0.008 18944 2967 1 10 . 1 1 4 4 GLY H H 4 8.536 8.536 8.657 -0.121 18944 2968 1 10 . 1 1 5 5 GLY N N 5 108.797 108.797 108.228 0.569 18944 2969 1 10 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.820 0.432 18944 2970 1 10 . 1 1 5 5 GLY H H 5 8.298 8.298 8.202 0.096 18944 2971 1 10 . 1 1 6 6 LYS N N 6 120.988 120.988 120.102 0.886 18944 2972 1 10 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.023 -0.076 18944 2973 1 10 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.200 1.058 18944 2974 1 10 . 1 1 6 6 LYS CB C 6 32.910 32.910 31.175 1.735 18944 2975 1 10 . 1 1 6 6 LYS H H 6 8.313 8.313 8.007 0.306 18944 2976 1 10 . 1 1 7 7 SER N N 7 116.912 116.912 112.545 4.367 18944 2977 1 10 . 1 1 7 7 SER HA H 7 4.420 4.420 4.183 0.237 18944 2978 1 10 . 1 1 7 7 SER CA C 7 58.338 58.338 58.622 -0.284 18944 2979 1 10 . 1 1 7 7 SER CB C 7 63.540 63.540 63.312 0.228 18944 2980 1 10 . 1 1 7 7 SER H H 7 8.345 8.345 8.194 0.151 18944 2981 1 10 . 1 1 8 8 ARG N N 8 123.496 123.496 122.666 0.830 18944 2982 1 10 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.483 -0.144 18944 2983 1 10 . 1 1 8 8 ARG CA C 8 56.038 56.038 55.083 0.955 18944 2984 1 10 . 1 1 8 8 ARG CB C 8 30.596 30.596 31.364 -0.768 18944 2985 1 10 . 1 1 8 8 ARG H H 8 8.410 8.410 8.530 -0.120 18944 2986 1 10 . 1 1 9 9 ARG N N 9 122.569 122.569 123.477 -0.908 18944 2987 1 10 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.501 -0.193 18944 2988 1 10 . 1 1 9 9 ARG CA C 9 55.979 55.979 55.164 0.815 18944 2989 1 10 . 1 1 9 9 ARG CB C 9 30.700 30.700 31.145 -0.445 18944 2990 1 10 . 1 1 9 9 ARG H H 9 8.340 8.340 8.713 -0.373 18944 2991 1 10 . 1 1 10 10 ARG N N 10 123.464 123.464 120.575 2.889 18944 2992 1 10 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.345 -0.017 18944 2993 1 10 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.315 -1.389 18944 2994 1 10 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.275 2.546 18944 2995 1 10 . 1 1 10 10 ARG H H 10 8.457 8.457 8.683 -0.226 18944 2996 1 10 . 1 1 11 11 ARG N N 11 123.477 123.477 120.151 3.326 18944 2997 1 10 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.597 -0.208 18944 2998 1 10 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.093 -0.124 18944 2999 1 10 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.621 -0.782 18944 3000 1 10 . 1 1 11 11 ARG H H 11 8.540 8.540 8.871 -0.331 18944 3001 1 10 . 1 1 12 12 THR N N 12 116.338 116.338 114.385 1.953 18944 3002 1 10 . 1 1 12 12 THR HA H 12 4.289 4.289 4.754 -0.465 18944 3003 1 10 . 1 1 12 12 THR CA C 12 61.393 61.393 60.648 0.745 18944 3004 1 10 . 1 1 12 12 THR CB C 12 69.660 69.660 70.587 -0.927 18944 3005 1 10 . 1 1 12 12 THR H H 12 8.249 8.249 7.560 0.689 18944 3006 1 10 . 1 1 13 13 ALA N N 13 127.182 127.182 123.560 3.622 18944 3007 1 10 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.134 0.171 18944 3008 1 10 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.770 -1.746 18944 3009 1 10 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.513 1.141 18944 3010 1 10 . 1 1 13 13 ALA H H 13 8.275 8.275 8.461 -0.186 18944 3011 1 10 . 1 1 14 14 PHE N N 14 118.661 118.661 115.773 2.888 18944 3012 1 10 . 1 1 14 14 PHE HA H 14 4.963 4.963 4.943 0.020 18944 3013 1 10 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.964 -0.706 18944 3014 1 10 . 1 1 14 14 PHE CB C 14 40.719 40.719 40.446 0.273 18944 3015 1 10 . 1 1 14 14 PHE H H 14 8.060 8.060 7.779 0.281 18944 3016 1 10 . 1 1 15 15 THR N N 15 113.672 113.672 110.160 3.512 18944 3017 1 10 . 1 1 15 15 THR HA H 15 4.522 4.522 4.976 -0.454 18944 3018 1 10 . 1 1 15 15 THR CA C 15 60.272 60.272 59.551 0.721 18944 3019 1 10 . 1 1 15 15 THR CB C 15 70.919 70.919 71.213 -0.294 18944 3020 1 10 . 1 1 15 15 THR H H 15 9.139 9.139 8.559 0.580 18944 3021 1 10 . 1 1 16 16 SER N N 16 116.722 116.722 114.824 1.898 18944 3022 1 10 . 1 1 16 16 SER HA H 16 3.934 3.934 4.419 -0.485 18944 3023 1 10 . 1 1 16 16 SER CA C 16 62.071 62.071 60.968 1.103 18944 3024 1 10 . 1 1 16 16 SER CB C 16 61.814 61.814 63.302 -1.488 18944 3025 1 10 . 1 1 16 16 SER H H 16 9.094 9.094 8.692 0.402 18944 3026 1 10 . 1 1 17 17 GLU N N 17 120.784 120.784 122.874 -2.090 18944 3027 1 10 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.996 0.026 18944 3028 1 10 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.320 0.807 18944 3029 1 10 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.502 -0.394 18944 3030 1 10 . 1 1 17 17 GLU H H 17 8.673 8.673 7.637 1.036 18944 3031 1 10 . 1 1 18 18 GLN N N 18 118.707 118.707 119.458 -0.751 18944 3032 1 10 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.010 -0.201 18944 3033 1 10 . 1 1 18 18 GLN CA C 18 58.961 58.961 59.066 -0.104 18944 3034 1 10 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.966 -0.986 18944 3035 1 10 . 1 1 18 18 GLN H H 18 7.748 7.748 7.703 0.045 18944 3036 1 10 . 1 1 19 19 LEU N N 19 117.129 117.129 117.866 -0.737 18944 3037 1 10 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.848 -0.219 18944 3038 1 10 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.031 0.764 18944 3039 1 10 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.725 -0.114 18944 3040 1 10 . 1 1 19 19 LEU H H 19 8.109 8.109 8.239 -0.130 18944 3041 1 10 . 1 1 20 20 LEU N N 20 119.459 119.459 119.514 -0.055 18944 3042 1 10 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.115 -0.113 18944 3043 1 10 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.431 0.572 18944 3044 1 10 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.380 -0.422 18944 3045 1 10 . 1 1 20 20 LEU H H 20 7.948 7.948 7.255 0.693 18944 3046 1 10 . 1 1 21 21 GLU N N 21 118.593 118.593 117.701 0.892 18944 3047 1 10 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.185 -0.099 18944 3048 1 10 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.142 0.288 18944 3049 1 10 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.638 0.034 18944 3050 1 10 . 1 1 21 21 GLU H H 21 7.564 7.564 8.250 -0.686 18944 3051 1 10 . 1 1 22 22 LEU N N 22 122.405 122.405 119.098 3.307 18944 3052 1 10 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.856 -0.340 18944 3053 1 10 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.619 0.610 18944 3054 1 10 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.789 -2.793 18944 3055 1 10 . 1 1 22 22 LEU H H 22 8.148 8.148 7.992 0.156 18944 3056 1 10 . 1 1 23 23 GLU N N 23 118.202 118.202 116.551 1.651 18944 3057 1 10 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.280 0.002 18944 3058 1 10 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.376 0.440 18944 3059 1 10 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.130 -0.176 18944 3060 1 10 . 1 1 23 23 GLU H H 23 7.853 7.853 7.977 -0.124 18944 3061 1 10 . 1 1 24 24 LYS N N 24 120.955 120.955 120.073 0.882 18944 3062 1 10 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.108 -0.082 18944 3063 1 10 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.181 0.673 18944 3064 1 10 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.054 0.236 18944 3065 1 10 . 1 1 24 24 LYS H H 24 7.828 7.828 7.743 0.085 18944 3066 1 10 . 1 1 25 25 GLU N N 25 120.791 120.791 120.390 0.401 18944 3067 1 10 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.126 0.133 18944 3068 1 10 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.874 -0.154 18944 3069 1 10 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.206 -0.631 18944 3070 1 10 . 1 1 25 25 GLU H H 25 8.153 8.153 7.858 0.295 18944 3071 1 10 . 1 1 26 26 PHE N N 26 115.094 115.094 117.228 -2.134 18944 3072 1 10 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.369 0.123 18944 3073 1 10 . 1 1 26 26 PHE CA C 26 56.446 56.446 60.353 -3.907 18944 3074 1 10 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.088 2.734 18944 3075 1 10 . 1 1 26 26 PHE H H 26 7.404 7.404 7.805 -0.401 18944 3076 1 10 . 1 1 27 27 HIS N N 27 115.592 115.592 116.745 -1.153 18944 3077 1 10 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.430 -0.377 18944 3078 1 10 . 1 1 27 27 HIS CA C 27 58.490 58.490 58.943 -0.453 18944 3079 1 10 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.633 -1.803 18944 3080 1 10 . 1 1 27 27 HIS H H 27 8.057 8.057 8.251 -0.194 18944 3081 1 10 . 1 1 28 28 CYS N N 28 116.364 116.364 115.888 0.476 18944 3082 1 10 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.617 -0.592 18944 3083 1 10 . 1 1 28 28 CYS CA C 28 58.623 58.623 58.094 0.529 18944 3084 1 10 . 1 1 28 28 CYS CB C 28 29.921 29.921 29.425 0.496 18944 3085 1 10 . 1 1 28 28 CYS H H 28 7.972 7.972 7.588 0.384 18944 3086 1 10 . 1 1 29 29 LYS N N 29 122.054 122.054 122.613 -0.559 18944 3087 1 10 . 1 1 29 29 LYS HA H 29 4.300 4.300 3.979 0.321 18944 3088 1 10 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.281 -0.040 18944 3089 1 10 . 1 1 29 29 LYS CB C 29 35.189 35.189 33.170 2.019 18944 3090 1 10 . 1 1 29 29 LYS H H 29 8.521 8.521 7.605 0.916 18944 3091 1 10 . 1 1 30 30 LYS N N 30 118.250 118.250 117.611 0.639 18944 3092 1 10 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.077 -0.374 18944 3093 1 10 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.236 -0.419 18944 3094 1 10 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.277 -0.823 18944 3095 1 10 . 1 1 30 30 LYS H H 30 7.830 7.830 8.384 -0.554 18944 3096 1 10 . 1 1 31 31 TYR N N 31 112.854 112.854 113.363 -0.509 18944 3097 1 10 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.750 -0.270 18944 3098 1 10 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.105 0.267 18944 3099 1 10 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.439 1.720 18944 3100 1 10 . 1 1 31 31 TYR H H 31 7.294 7.294 7.177 0.117 18944 3101 1 10 . 1 1 32 32 LEU N N 32 122.615 122.615 123.446 -0.831 18944 3102 1 10 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.465 0.245 18944 3103 1 10 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.870 -0.968 18944 3104 1 10 . 1 1 32 32 LEU CB C 32 44.626 44.626 42.147 2.479 18944 3105 1 10 . 1 1 32 32 LEU H H 32 8.426 8.426 8.184 0.242 18944 3106 1 10 . 1 1 33 33 SER N N 33 119.224 119.224 116.117 3.107 18944 3107 1 10 . 1 1 33 33 SER HA H 33 4.583 4.583 4.486 0.097 18944 3108 1 10 . 1 1 33 33 SER CA C 33 56.483 56.483 57.529 -1.046 18944 3109 1 10 . 1 1 33 33 SER CB C 33 65.258 65.258 64.498 0.760 18944 3110 1 10 . 1 1 33 33 SER H H 33 9.322 9.322 8.297 1.025 18944 3111 1 10 . 1 1 34 34 LEU N N 34 121.601 121.601 121.406 0.195 18944 3112 1 10 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.061 -0.084 18944 3113 1 10 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.524 0.347 18944 3114 1 10 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.919 -0.556 18944 3115 1 10 . 1 1 34 34 LEU H H 34 8.808 8.808 8.679 0.129 18944 3116 1 10 . 1 1 35 35 THR N N 35 113.816 113.816 112.708 1.108 18944 3117 1 10 . 1 1 35 35 THR HA H 35 3.944 3.944 3.939 0.005 18944 3118 1 10 . 1 1 35 35 THR CA C 35 65.721 65.721 66.372 -0.651 18944 3119 1 10 . 1 1 35 35 THR CB C 35 68.367 68.367 68.089 0.278 18944 3120 1 10 . 1 1 35 35 THR H H 35 8.104 8.104 8.203 -0.099 18944 3121 1 10 . 1 1 36 36 GLU N N 36 123.125 123.125 120.272 2.853 18944 3122 1 10 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.186 -0.209 18944 3123 1 10 . 1 1 36 36 GLU CA C 36 58.878 58.878 58.566 0.312 18944 3124 1 10 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.129 1.278 18944 3125 1 10 . 1 1 36 36 GLU H H 36 7.691 7.691 8.237 -0.546 18944 3126 1 10 . 1 1 37 37 ARG N N 37 119.258 119.258 120.669 -1.411 18944 3127 1 10 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.923 -0.167 18944 3128 1 10 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.393 0.628 18944 3129 1 10 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.209 0.646 18944 3130 1 10 . 1 1 37 37 ARG H H 37 8.726 8.726 8.500 0.226 18944 3131 1 10 . 1 1 38 38 SER N N 38 113.573 113.573 113.469 0.104 18944 3132 1 10 . 1 1 38 38 SER HA H 38 4.073 4.073 4.165 -0.092 18944 3133 1 10 . 1 1 38 38 SER CA C 38 61.865 61.865 61.063 0.802 18944 3134 1 10 . 1 1 38 38 SER CB C 38 62.685 62.685 62.777 -0.092 18944 3135 1 10 . 1 1 38 38 SER H H 38 8.039 8.039 7.990 0.049 18944 3136 1 10 . 1 1 39 39 GLN N N 39 121.912 121.912 121.010 0.902 18944 3137 1 10 . 1 1 39 39 GLN HA H 39 4.115 4.115 4.045 0.070 18944 3138 1 10 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.979 0.106 18944 3139 1 10 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.927 -0.760 18944 3140 1 10 . 1 1 39 39 GLN H H 39 8.033 8.033 7.611 0.422 18944 3141 1 10 . 1 1 40 40 ILE N N 40 121.716 121.716 120.284 1.432 18944 3142 1 10 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.598 0.281 18944 3143 1 10 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.969 -0.608 18944 3144 1 10 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.264 0.865 18944 3145 1 10 . 1 1 40 40 ILE H H 40 8.205 8.205 7.929 0.276 18944 3146 1 10 . 1 1 41 41 ALA N N 41 122.005 122.005 123.092 -1.087 18944 3147 1 10 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.907 -0.244 18944 3148 1 10 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.447 0.500 18944 3149 1 10 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.086 -0.570 18944 3150 1 10 . 1 1 41 41 ALA H H 41 8.301 8.301 8.184 0.117 18944 3151 1 10 . 1 1 42 42 HIS N N 42 114.193 114.193 117.954 -3.761 18944 3152 1 10 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.319 0.075 18944 3153 1 10 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.974 -0.325 18944 3154 1 10 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.084 -1.213 18944 3155 1 10 . 1 1 42 42 HIS H H 42 8.091 8.091 7.967 0.124 18944 3156 1 10 . 1 1 43 43 ALA N N 43 122.121 122.121 123.170 -1.049 18944 3157 1 10 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.176 -0.110 18944 3158 1 10 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.847 0.009 18944 3159 1 10 . 1 1 43 43 ALA CB C 43 18.317 18.317 19.049 -0.732 18944 3160 1 10 . 1 1 43 43 ALA H H 43 8.167 8.167 8.659 -0.492 18944 3161 1 10 . 1 1 44 44 LEU N N 44 114.117 114.117 116.320 -2.203 18944 3162 1 10 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.560 -0.233 18944 3163 1 10 . 1 1 44 44 LEU CA C 44 54.171 54.171 53.921 0.250 18944 3164 1 10 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.392 0.080 18944 3165 1 10 . 1 1 44 44 LEU H H 44 8.037 8.037 7.691 0.346 18944 3166 1 10 . 1 1 45 45 LYS N N 45 117.081 117.081 114.895 2.186 18944 3167 1 10 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.789 0.159 18944 3168 1 10 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.457 -0.243 18944 3169 1 10 . 1 1 45 45 LYS CB C 45 28.359 28.359 29.815 -1.456 18944 3170 1 10 . 1 1 45 45 LYS H H 45 7.806 7.806 7.583 0.223 18944 3171 1 10 . 1 1 46 46 LEU N N 46 119.781 119.781 118.666 1.115 18944 3172 1 10 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.443 0.336 18944 3173 1 10 . 1 1 46 46 LEU CA C 46 52.375 52.375 54.153 -1.778 18944 3174 1 10 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.694 3.736 18944 3175 1 10 . 1 1 46 46 LEU H H 46 8.393 8.393 8.013 0.380 18944 3176 1 10 . 1 1 47 47 SER N N 47 114.982 114.982 112.226 2.756 18944 3177 1 10 . 1 1 47 47 SER HA H 47 4.772 4.772 4.750 0.022 18944 3178 1 10 . 1 1 47 47 SER CA C 47 56.659 56.659 56.883 -0.224 18944 3179 1 10 . 1 1 47 47 SER CB C 47 64.905 64.905 65.775 -0.870 18944 3180 1 10 . 1 1 47 47 SER H H 47 8.817 8.817 8.185 0.632 18944 3181 1 10 . 1 1 48 48 GLU N N 48 122.917 122.917 121.529 1.388 18944 3182 1 10 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.017 -0.354 18944 3183 1 10 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.351 0.791 18944 3184 1 10 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.350 -0.357 18944 3185 1 10 . 1 1 48 48 GLU H H 48 9.232 9.232 8.855 0.377 18944 3186 1 10 . 1 1 49 49 VAL N N 49 118.250 118.250 121.024 -2.774 18944 3187 1 10 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.813 -0.043 18944 3188 1 10 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.501 -0.808 18944 3189 1 10 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.314 0.506 18944 3190 1 10 . 1 1 49 49 VAL H H 49 8.015 8.015 7.992 0.023 18944 3191 1 10 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.240 -0.085 18944 3192 1 10 . 1 1 50 50 GLN CA C 50 59.241 59.241 58.643 0.598 18944 3193 1 10 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.111 1.406 18944 3194 1 10 . 1 1 50 50 GLN H H 50 7.714 7.714 8.770 -1.056 18944 3195 1 10 . 1 1 51 51 VAL N N 51 119.155 119.155 119.660 -0.505 18944 3196 1 10 . 1 1 51 51 VAL HA H 51 3.693 3.693 4.186 -0.493 18944 3197 1 10 . 1 1 51 51 VAL CA C 51 67.404 67.404 65.388 2.016 18944 3198 1 10 . 1 1 51 51 VAL CB C 51 32.193 32.193 32.147 0.046 18944 3199 1 10 . 1 1 51 51 VAL H H 51 7.705 7.705 8.061 -0.356 18944 3200 1 10 . 1 1 52 52 LYS N N 52 121.165 121.165 121.841 -0.676 18944 3201 1 10 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.100 0.173 18944 3202 1 10 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.205 -0.358 18944 3203 1 10 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.508 0.687 18944 3204 1 10 . 1 1 52 52 LYS H H 52 8.545 8.545 8.167 0.378 18944 3205 1 10 . 1 1 53 53 ILE N N 53 120.436 120.436 117.993 2.443 18944 3206 1 10 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.841 -0.012 18944 3207 1 10 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.035 -0.804 18944 3208 1 10 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.760 0.218 18944 3209 1 10 . 1 1 53 53 ILE H H 53 8.733 8.733 8.350 0.383 18944 3210 1 10 . 1 1 54 54 TRP N N 54 122.076 122.076 121.597 0.479 18944 3211 1 10 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.242 -0.228 18944 3212 1 10 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.337 2.065 18944 3213 1 10 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.812 -0.955 18944 3214 1 10 . 1 1 54 54 TRP H H 54 8.522 8.522 7.883 0.639 18944 3215 1 10 . 1 1 55 55 PHE N N 55 119.314 119.314 117.515 1.799 18944 3216 1 10 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.277 -0.559 18944 3217 1 10 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.844 0.529 18944 3218 1 10 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.721 0.604 18944 3219 1 10 . 1 1 55 55 PHE H H 55 9.087 9.087 8.803 0.284 18944 3220 1 10 . 1 1 56 56 GLN N N 56 119.067 119.067 118.940 0.127 18944 3221 1 10 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.945 0.050 18944 3222 1 10 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.793 -0.315 18944 3223 1 10 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.470 0.058 18944 3224 1 10 . 1 1 56 56 GLN H H 56 8.148 8.148 8.865 -0.717 18944 3225 1 10 . 1 1 57 57 ASN N N 57 119.662 119.662 118.162 1.500 18944 3226 1 10 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.391 -0.037 18944 3227 1 10 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.281 -0.964 18944 3228 1 10 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.351 -0.626 18944 3229 1 10 . 1 1 57 57 ASN H H 57 8.396 8.396 7.968 0.428 18944 3230 1 10 . 1 1 58 58 ARG N N 58 124.411 124.411 120.293 4.118 18944 3231 1 10 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.727 -0.219 18944 3232 1 10 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.323 -2.178 18944 3233 1 10 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.502 -1.545 18944 3234 1 10 . 1 1 58 58 ARG H H 58 8.454 8.454 7.967 0.487 18944 3235 1 10 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.417 -0.063 18944 3236 1 10 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.716 0.743 18944 3237 1 10 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.346 1.672 18944 3238 1 10 . 1 1 60 60 ALA N N 60 121.683 121.683 121.737 -0.054 18944 3239 1 10 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.088 0.107 18944 3240 1 10 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.462 -0.516 18944 3241 1 10 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.040 -0.368 18944 3242 1 10 . 1 1 60 60 ALA H H 60 7.524 7.524 7.903 -0.379 18944 3243 1 10 . 1 1 61 61 LYS N N 61 118.243 118.243 119.025 -0.782 18944 3244 1 10 . 1 1 61 61 LYS HA H 61 4.026 4.026 4.049 -0.023 18944 3245 1 10 . 1 1 61 61 LYS CA C 61 58.604 58.604 58.871 -0.267 18944 3246 1 10 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.249 0.478 18944 3247 1 10 . 1 1 61 61 LYS H H 61 7.352 7.352 7.697 -0.345 18944 3248 1 10 . 1 1 62 62 TRP N N 62 121.102 121.102 121.788 -0.686 18944 3249 1 10 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.335 0.308 18944 3250 1 10 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.812 -1.889 18944 3251 1 10 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.502 0.084 18944 3252 1 10 . 1 1 62 62 TRP H H 62 7.934 7.934 8.098 -0.164 18944 3253 1 10 . 1 1 63 63 LYS N N 63 118.454 118.454 117.710 0.744 18944 3254 1 10 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.443 0.214 18944 3255 1 10 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.829 -2.121 18944 3256 1 10 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.845 0.828 18944 3257 1 10 . 1 1 63 63 LYS H H 63 8.328 8.328 8.410 -0.082 18944 3258 1 10 . 1 1 64 64 ARG N N 64 119.371 119.371 116.798 2.573 18944 3259 1 10 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.150 -0.056 18944 3260 1 10 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.980 -0.404 18944 3261 1 10 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.078 -0.036 18944 3262 1 10 . 1 1 64 64 ARG H H 64 7.605 7.605 7.665 -0.060 18944 3263 1 10 . 1 1 65 65 ILE N N 65 120.717 120.717 117.664 3.053 18944 3264 1 10 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.208 -0.214 18944 3265 1 10 . 1 1 65 65 ILE CA C 65 62.122 62.122 62.606 -0.484 18944 3266 1 10 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.457 -1.257 18944 3267 1 10 . 1 1 65 65 ILE H H 65 7.933 7.933 7.905 0.028 18944 3268 1 10 . 1 1 66 66 LYS N N 66 123.684 123.684 121.931 1.753 18944 3269 1 10 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.152 -0.012 18944 3270 1 10 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.615 -1.924 18944 3271 1 10 . 1 1 66 66 LYS CB C 66 32.356 32.356 33.215 -0.859 18944 3272 1 10 . 1 1 66 66 LYS H H 66 8.180 8.180 8.195 -0.015 18944 3273 1 10 . 1 1 67 67 ALA N N 67 123.678 123.678 118.838 4.840 18944 3274 1 10 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.553 -0.279 18944 3275 1 10 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.494 1.054 18944 3276 1 10 . 1 1 67 67 ALA CB C 67 19.080 19.080 20.684 -1.604 18944 3277 1 10 . 1 1 67 67 ALA H H 67 7.959 7.959 7.476 0.483 18944 3278 1 10 . 1 1 68 68 GLY N N 68 107.345 107.345 108.000 -0.655 18944 3279 1 10 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.593 -0.319 18944 3280 1 10 . 1 1 68 68 GLY H H 68 8.157 8.157 7.766 0.391 18944 3281 1 10 . 1 1 69 69 ASN N N 69 118.854 118.854 122.374 -3.520 18944 3282 1 10 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.866 -0.109 18944 3283 1 10 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.826 0.240 18944 3284 1 10 . 1 1 69 69 ASN CB C 69 38.948 38.948 39.339 -0.391 18944 3285 1 10 . 1 1 69 69 ASN H H 69 8.230 8.230 8.480 -0.250 18944 3286 1 10 . 1 1 70 70 VAL N N 70 119.499 119.499 120.366 -0.867 18944 3287 1 10 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.929 0.277 18944 3288 1 10 . 1 1 70 70 VAL CA C 70 62.062 62.062 64.459 -2.397 18944 3289 1 10 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.182 1.622 18944 3290 1 10 . 1 1 70 70 VAL H H 70 8.109 8.109 8.062 0.047 18944 3291 1 11 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.578 -0.138 18944 3292 1 11 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.804 0.497 18944 3293 1 11 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.399 -0.529 18944 3294 1 11 . 1 1 4 4 GLY N N 4 109.613 109.613 106.976 2.637 18944 3295 1 11 . 1 1 4 4 GLY CA C 4 45.244 45.244 43.809 1.435 18944 3296 1 11 . 1 1 4 4 GLY H H 4 8.536 8.536 8.635 -0.099 18944 3297 1 11 . 1 1 5 5 GLY N N 5 108.797 108.797 111.426 -2.629 18944 3298 1 11 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.498 -0.246 18944 3299 1 11 . 1 1 5 5 GLY H H 5 8.298 8.298 8.589 -0.291 18944 3300 1 11 . 1 1 6 6 LYS N N 6 120.988 120.988 120.053 0.935 18944 3301 1 11 . 1 1 6 6 LYS HA H 6 3.947 3.947 3.887 0.060 18944 3302 1 11 . 1 1 6 6 LYS CA C 6 57.258 57.258 57.254 0.004 18944 3303 1 11 . 1 1 6 6 LYS CB C 6 32.910 32.910 31.102 1.808 18944 3304 1 11 . 1 1 6 6 LYS H H 6 8.313 8.313 8.193 0.120 18944 3305 1 11 . 1 1 7 7 SER N N 7 116.912 116.912 114.425 2.487 18944 3306 1 11 . 1 1 7 7 SER HA H 7 4.420 4.420 4.664 -0.244 18944 3307 1 11 . 1 1 7 7 SER CA C 7 58.338 58.338 57.524 0.814 18944 3308 1 11 . 1 1 7 7 SER CB C 7 63.540 63.540 65.851 -2.311 18944 3309 1 11 . 1 1 7 7 SER H H 7 8.345 8.345 7.944 0.401 18944 3310 1 11 . 1 1 8 8 ARG N N 8 123.496 123.496 121.319 2.177 18944 3311 1 11 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.574 -0.235 18944 3312 1 11 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.201 -0.163 18944 3313 1 11 . 1 1 8 8 ARG CB C 8 30.596 30.596 30.956 -0.360 18944 3314 1 11 . 1 1 8 8 ARG H H 8 8.410 8.410 8.699 -0.289 18944 3315 1 11 . 1 1 9 9 ARG N N 9 122.569 122.569 118.444 4.125 18944 3316 1 11 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.701 -0.393 18944 3317 1 11 . 1 1 9 9 ARG CA C 9 55.979 55.979 54.068 1.911 18944 3318 1 11 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.412 -1.712 18944 3319 1 11 . 1 1 9 9 ARG H H 9 8.340 8.340 7.539 0.801 18944 3320 1 11 . 1 1 10 10 ARG N N 10 123.464 123.464 121.977 1.487 18944 3321 1 11 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.108 0.220 18944 3322 1 11 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.208 -1.282 18944 3323 1 11 . 1 1 10 10 ARG CB C 10 30.821 30.821 29.023 1.798 18944 3324 1 11 . 1 1 10 10 ARG H H 10 8.457 8.457 8.562 -0.105 18944 3325 1 11 . 1 1 11 11 ARG N N 11 123.477 123.477 124.125 -0.648 18944 3326 1 11 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.482 -0.094 18944 3327 1 11 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.139 -0.170 18944 3328 1 11 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.727 -0.888 18944 3329 1 11 . 1 1 11 11 ARG H H 11 8.540 8.540 8.790 -0.250 18944 3330 1 11 . 1 1 12 12 THR N N 12 116.338 116.338 113.746 2.592 18944 3331 1 11 . 1 1 12 12 THR HA H 12 4.289 4.289 4.705 -0.416 18944 3332 1 11 . 1 1 12 12 THR CA C 12 61.393 61.393 60.452 0.941 18944 3333 1 11 . 1 1 12 12 THR CB C 12 69.660 69.660 70.547 -0.887 18944 3334 1 11 . 1 1 12 12 THR H H 12 8.249 8.249 7.621 0.628 18944 3335 1 11 . 1 1 13 13 ALA N N 13 127.182 127.182 123.938 3.244 18944 3336 1 11 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.064 0.241 18944 3337 1 11 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.796 -1.772 18944 3338 1 11 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.208 0.446 18944 3339 1 11 . 1 1 13 13 ALA H H 13 8.275 8.275 8.328 -0.053 18944 3340 1 11 . 1 1 14 14 PHE N N 14 118.661 118.661 113.032 5.629 18944 3341 1 11 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.273 -0.310 18944 3342 1 11 . 1 1 14 14 PHE CA C 14 56.258 56.258 54.685 1.573 18944 3343 1 11 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.137 -1.418 18944 3344 1 11 . 1 1 14 14 PHE H H 14 8.060 8.060 7.559 0.501 18944 3345 1 11 . 1 1 15 15 THR N N 15 113.672 113.672 112.387 1.285 18944 3346 1 11 . 1 1 15 15 THR HA H 15 4.522 4.522 4.858 -0.336 18944 3347 1 11 . 1 1 15 15 THR CA C 15 60.272 60.272 59.740 0.532 18944 3348 1 11 . 1 1 15 15 THR CB C 15 70.919 70.919 70.678 0.241 18944 3349 1 11 . 1 1 15 15 THR H H 15 9.139 9.139 8.386 0.753 18944 3350 1 11 . 1 1 16 16 SER N N 16 116.722 116.722 116.829 -0.107 18944 3351 1 11 . 1 1 16 16 SER HA H 16 3.934 3.934 4.029 -0.095 18944 3352 1 11 . 1 1 16 16 SER CA C 16 62.071 62.071 61.862 0.209 18944 3353 1 11 . 1 1 16 16 SER CB C 16 61.814 61.814 62.788 -0.974 18944 3354 1 11 . 1 1 16 16 SER H H 16 9.094 9.094 8.788 0.306 18944 3355 1 11 . 1 1 17 17 GLU N N 17 120.784 120.784 121.997 -1.213 18944 3356 1 11 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.019 0.003 18944 3357 1 11 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.103 1.024 18944 3358 1 11 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.292 -0.184 18944 3359 1 11 . 1 1 17 17 GLU H H 17 8.673 8.673 8.275 0.398 18944 3360 1 11 . 1 1 18 18 GLN N N 18 118.707 118.707 118.530 0.177 18944 3361 1 11 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.979 -0.170 18944 3362 1 11 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.803 0.158 18944 3363 1 11 . 1 1 18 18 GLN CB C 18 27.980 27.980 29.027 -1.047 18944 3364 1 11 . 1 1 18 18 GLN H H 18 7.748 7.748 7.751 -0.003 18944 3365 1 11 . 1 1 19 19 LEU N N 19 117.129 117.129 120.379 -3.250 18944 3366 1 11 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.741 -0.112 18944 3367 1 11 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.651 0.144 18944 3368 1 11 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.970 -0.359 18944 3369 1 11 . 1 1 19 19 LEU H H 19 8.109 8.109 8.115 -0.006 18944 3370 1 11 . 1 1 20 20 LEU N N 20 119.459 119.459 118.709 0.750 18944 3371 1 11 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.991 0.011 18944 3372 1 11 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.721 0.282 18944 3373 1 11 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.004 -0.046 18944 3374 1 11 . 1 1 20 20 LEU H H 20 7.948 7.948 8.176 -0.228 18944 3375 1 11 . 1 1 21 21 GLU N N 21 118.593 118.593 118.314 0.279 18944 3376 1 11 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.076 0.010 18944 3377 1 11 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.549 -0.119 18944 3378 1 11 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.809 -0.137 18944 3379 1 11 . 1 1 21 21 GLU H H 21 7.564 7.564 7.487 0.077 18944 3380 1 11 . 1 1 22 22 LEU N N 22 122.405 122.405 118.800 3.605 18944 3381 1 11 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.810 -0.294 18944 3382 1 11 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.262 0.967 18944 3383 1 11 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.859 -2.863 18944 3384 1 11 . 1 1 22 22 LEU H H 22 8.148 8.148 7.592 0.556 18944 3385 1 11 . 1 1 23 23 GLU N N 23 118.202 118.202 115.574 2.628 18944 3386 1 11 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.258 0.024 18944 3387 1 11 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.200 0.617 18944 3388 1 11 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.311 -0.357 18944 3389 1 11 . 1 1 23 23 GLU H H 23 7.853 7.853 7.616 0.237 18944 3390 1 11 . 1 1 24 24 LYS N N 24 120.955 120.955 122.086 -1.131 18944 3391 1 11 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.016 0.010 18944 3392 1 11 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.574 0.280 18944 3393 1 11 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.334 -0.044 18944 3394 1 11 . 1 1 24 24 LYS H H 24 7.828 7.828 7.626 0.202 18944 3395 1 11 . 1 1 25 25 GLU N N 25 120.791 120.791 119.232 1.559 18944 3396 1 11 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.124 0.135 18944 3397 1 11 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.172 -0.452 18944 3398 1 11 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.414 -0.839 18944 3399 1 11 . 1 1 25 25 GLU H H 25 8.153 8.153 7.922 0.231 18944 3400 1 11 . 1 1 26 26 PHE N N 26 115.094 115.094 118.061 -2.967 18944 3401 1 11 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.335 0.157 18944 3402 1 11 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.341 -1.895 18944 3403 1 11 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.901 2.921 18944 3404 1 11 . 1 1 26 26 PHE H H 26 7.404 7.404 7.736 -0.332 18944 3405 1 11 . 1 1 27 27 HIS N N 27 115.592 115.592 119.186 -3.594 18944 3406 1 11 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.350 -0.297 18944 3407 1 11 . 1 1 27 27 HIS CA C 27 58.490 58.490 59.783 -1.293 18944 3408 1 11 . 1 1 27 27 HIS CB C 27 28.830 28.830 31.151 -2.321 18944 3409 1 11 . 1 1 27 27 HIS H H 27 8.057 8.057 7.845 0.212 18944 3410 1 11 . 1 1 28 28 CYS N N 28 116.364 116.364 115.741 0.623 18944 3411 1 11 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.344 -0.319 18944 3412 1 11 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.265 -1.642 18944 3413 1 11 . 1 1 28 28 CYS CB C 28 29.921 29.921 28.913 1.008 18944 3414 1 11 . 1 1 28 28 CYS H H 28 7.972 7.972 8.358 -0.386 18944 3415 1 11 . 1 1 29 29 LYS N N 29 122.054 122.054 120.491 1.563 18944 3416 1 11 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.541 -0.241 18944 3417 1 11 . 1 1 29 29 LYS CA C 29 56.241 56.241 54.518 1.723 18944 3418 1 11 . 1 1 29 29 LYS CB C 29 35.189 35.189 31.226 3.963 18944 3419 1 11 . 1 1 29 29 LYS H H 29 8.521 8.521 8.173 0.348 18944 3420 1 11 . 1 1 30 30 LYS N N 30 118.250 118.250 119.805 -1.555 18944 3421 1 11 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.503 0.200 18944 3422 1 11 . 1 1 30 30 LYS CA C 30 55.817 55.817 57.802 -1.985 18944 3423 1 11 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.193 0.261 18944 3424 1 11 . 1 1 30 30 LYS H H 30 7.830 7.830 8.433 -0.603 18944 3425 1 11 . 1 1 31 31 TYR N N 31 112.854 112.854 116.089 -3.235 18944 3426 1 11 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.830 -0.350 18944 3427 1 11 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.427 -0.055 18944 3428 1 11 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.671 1.488 18944 3429 1 11 . 1 1 31 31 TYR H H 31 7.294 7.294 7.849 -0.555 18944 3430 1 11 . 1 1 32 32 LEU N N 32 122.615 122.615 125.944 -3.329 18944 3431 1 11 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.426 0.284 18944 3432 1 11 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.664 -1.762 18944 3433 1 11 . 1 1 32 32 LEU CB C 32 44.626 44.626 42.496 2.130 18944 3434 1 11 . 1 1 32 32 LEU H H 32 8.426 8.426 8.389 0.037 18944 3435 1 11 . 1 1 33 33 SER N N 33 119.224 119.224 116.614 2.610 18944 3436 1 11 . 1 1 33 33 SER HA H 33 4.583 4.583 4.461 0.122 18944 3437 1 11 . 1 1 33 33 SER CA C 33 56.483 56.483 57.493 -1.010 18944 3438 1 11 . 1 1 33 33 SER CB C 33 65.258 65.258 64.633 0.625 18944 3439 1 11 . 1 1 33 33 SER H H 33 9.322 9.322 8.161 1.161 18944 3440 1 11 . 1 1 34 34 LEU N N 34 121.601 121.601 120.731 0.870 18944 3441 1 11 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.199 -0.222 18944 3442 1 11 . 1 1 34 34 LEU CA C 34 58.871 58.871 56.794 2.077 18944 3443 1 11 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.967 -0.604 18944 3444 1 11 . 1 1 34 34 LEU H H 34 8.808 8.808 8.632 0.176 18944 3445 1 11 . 1 1 35 35 THR N N 35 113.816 113.816 113.179 0.637 18944 3446 1 11 . 1 1 35 35 THR HA H 35 3.944 3.944 4.398 -0.454 18944 3447 1 11 . 1 1 35 35 THR CA C 35 65.721 65.721 63.055 2.666 18944 3448 1 11 . 1 1 35 35 THR CB C 35 68.367 68.367 69.690 -1.323 18944 3449 1 11 . 1 1 35 35 THR H H 35 8.104 8.104 7.999 0.105 18944 3450 1 11 . 1 1 36 36 GLU N N 36 123.125 123.125 122.899 0.226 18944 3451 1 11 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.941 0.036 18944 3452 1 11 . 1 1 36 36 GLU CA C 36 58.878 58.878 60.047 -1.169 18944 3453 1 11 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.134 1.273 18944 3454 1 11 . 1 1 36 36 GLU H H 36 7.691 7.691 7.734 -0.043 18944 3455 1 11 . 1 1 37 37 ARG N N 37 119.258 119.258 119.473 -0.215 18944 3456 1 11 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.863 -0.107 18944 3457 1 11 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.277 0.744 18944 3458 1 11 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.005 0.850 18944 3459 1 11 . 1 1 37 37 ARG H H 37 8.726 8.726 7.722 1.004 18944 3460 1 11 . 1 1 38 38 SER N N 38 113.573 113.573 114.018 -0.445 18944 3461 1 11 . 1 1 38 38 SER HA H 38 4.073 4.073 4.157 -0.084 18944 3462 1 11 . 1 1 38 38 SER CA C 38 61.865 61.865 61.645 0.220 18944 3463 1 11 . 1 1 38 38 SER CB C 38 62.685 62.685 62.794 -0.109 18944 3464 1 11 . 1 1 38 38 SER H H 38 8.039 8.039 8.043 -0.004 18944 3465 1 11 . 1 1 39 39 GLN N N 39 121.912 121.912 120.907 1.005 18944 3466 1 11 . 1 1 39 39 GLN HA H 39 4.115 4.115 4.003 0.112 18944 3467 1 11 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.878 0.207 18944 3468 1 11 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.762 -0.595 18944 3469 1 11 . 1 1 39 39 GLN H H 39 8.033 8.033 7.497 0.536 18944 3470 1 11 . 1 1 40 40 ILE N N 40 121.716 121.716 120.266 1.450 18944 3471 1 11 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.624 0.255 18944 3472 1 11 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.198 -0.837 18944 3473 1 11 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.660 0.469 18944 3474 1 11 . 1 1 40 40 ILE H H 40 8.205 8.205 8.385 -0.180 18944 3475 1 11 . 1 1 41 41 ALA N N 41 122.005 122.005 122.457 -0.452 18944 3476 1 11 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.930 -0.267 18944 3477 1 11 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.346 0.601 18944 3478 1 11 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.195 -0.679 18944 3479 1 11 . 1 1 41 41 ALA H H 41 8.301 8.301 8.231 0.070 18944 3480 1 11 . 1 1 42 42 HIS N N 42 114.193 114.193 117.086 -2.893 18944 3481 1 11 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.361 0.033 18944 3482 1 11 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.690 -0.041 18944 3483 1 11 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.098 -1.227 18944 3484 1 11 . 1 1 42 42 HIS H H 42 8.091 8.091 8.377 -0.286 18944 3485 1 11 . 1 1 43 43 ALA N N 43 122.121 122.121 121.864 0.257 18944 3486 1 11 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.199 -0.133 18944 3487 1 11 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.392 0.464 18944 3488 1 11 . 1 1 43 43 ALA CB C 43 18.317 18.317 19.250 -0.933 18944 3489 1 11 . 1 1 43 43 ALA H H 43 8.167 8.167 8.190 -0.023 18944 3490 1 11 . 1 1 44 44 LEU N N 44 114.117 114.117 115.442 -1.325 18944 3491 1 11 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.376 -0.049 18944 3492 1 11 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.305 -0.134 18944 3493 1 11 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.585 -0.113 18944 3494 1 11 . 1 1 44 44 LEU H H 44 8.037 8.037 7.503 0.534 18944 3495 1 11 . 1 1 45 45 LYS N N 45 117.081 117.081 118.634 -1.553 18944 3496 1 11 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.917 0.031 18944 3497 1 11 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.728 0.486 18944 3498 1 11 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.062 -1.704 18944 3499 1 11 . 1 1 45 45 LYS H H 45 7.806 7.806 7.772 0.034 18944 3500 1 11 . 1 1 46 46 LEU N N 46 119.781 119.781 119.051 0.730 18944 3501 1 11 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.486 0.293 18944 3502 1 11 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.964 -1.589 18944 3503 1 11 . 1 1 46 46 LEU CB C 46 47.430 47.430 44.543 2.887 18944 3504 1 11 . 1 1 46 46 LEU H H 46 8.393 8.393 8.115 0.278 18944 3505 1 11 . 1 1 47 47 SER N N 47 114.982 114.982 112.367 2.615 18944 3506 1 11 . 1 1 47 47 SER HA H 47 4.772 4.772 4.708 0.064 18944 3507 1 11 . 1 1 47 47 SER CA C 47 56.659 56.659 56.692 -0.033 18944 3508 1 11 . 1 1 47 47 SER CB C 47 64.905 64.905 65.781 -0.876 18944 3509 1 11 . 1 1 47 47 SER H H 47 8.817 8.817 8.146 0.671 18944 3510 1 11 . 1 1 48 48 GLU N N 48 122.917 122.917 122.885 0.032 18944 3511 1 11 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.006 -0.343 18944 3512 1 11 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.016 1.126 18944 3513 1 11 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.335 -0.342 18944 3514 1 11 . 1 1 48 48 GLU H H 48 9.232 9.232 9.026 0.206 18944 3515 1 11 . 1 1 49 49 VAL N N 49 118.250 118.250 120.424 -2.174 18944 3516 1 11 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.823 -0.053 18944 3517 1 11 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.383 -0.690 18944 3518 1 11 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.031 0.789 18944 3519 1 11 . 1 1 49 49 VAL H H 49 8.015 8.015 8.226 -0.211 18944 3520 1 11 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.180 -0.025 18944 3521 1 11 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.197 0.044 18944 3522 1 11 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.204 1.313 18944 3523 1 11 . 1 1 50 50 GLN H H 50 7.714 7.714 7.724 -0.010 18944 3524 1 11 . 1 1 51 51 VAL N N 51 119.155 119.155 120.216 -1.061 18944 3525 1 11 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.901 -0.208 18944 3526 1 11 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.414 0.990 18944 3527 1 11 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.912 1.281 18944 3528 1 11 . 1 1 51 51 VAL H H 51 7.705 7.705 8.299 -0.594 18944 3529 1 11 . 1 1 52 52 LYS N N 52 121.165 121.165 121.138 0.027 18944 3530 1 11 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.026 0.247 18944 3531 1 11 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.140 -0.294 18944 3532 1 11 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.445 0.750 18944 3533 1 11 . 1 1 52 52 LYS H H 52 8.545 8.545 8.034 0.511 18944 3534 1 11 . 1 1 53 53 ILE N N 53 120.436 120.436 119.132 1.304 18944 3535 1 11 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.760 0.069 18944 3536 1 11 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.089 -0.858 18944 3537 1 11 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.846 0.132 18944 3538 1 11 . 1 1 53 53 ILE H H 53 8.733 8.733 8.533 0.200 18944 3539 1 11 . 1 1 54 54 TRP N N 54 122.076 122.076 121.918 0.158 18944 3540 1 11 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.119 -0.105 18944 3541 1 11 . 1 1 54 54 TRP CA C 54 63.402 63.402 62.093 1.308 18944 3542 1 11 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.657 -0.800 18944 3543 1 11 . 1 1 54 54 TRP H H 54 8.522 8.522 8.359 0.163 18944 3544 1 11 . 1 1 55 55 PHE N N 55 119.314 119.314 118.002 1.312 18944 3545 1 11 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.961 -0.243 18944 3546 1 11 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.588 0.785 18944 3547 1 11 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.523 0.803 18944 3548 1 11 . 1 1 55 55 PHE H H 55 9.087 9.087 9.173 -0.086 18944 3549 1 11 . 1 1 56 56 GLN N N 56 119.067 119.067 118.675 0.392 18944 3550 1 11 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.920 0.075 18944 3551 1 11 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.615 -0.138 18944 3552 1 11 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.332 0.196 18944 3553 1 11 . 1 1 56 56 GLN H H 56 8.148 8.148 8.800 -0.652 18944 3554 1 11 . 1 1 57 57 ASN N N 57 119.662 119.662 118.092 1.570 18944 3555 1 11 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.373 -0.019 18944 3556 1 11 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.165 -0.848 18944 3557 1 11 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.211 -0.486 18944 3558 1 11 . 1 1 57 57 ASN H H 57 8.396 8.396 7.993 0.403 18944 3559 1 11 . 1 1 58 58 ARG N N 58 124.411 124.411 120.894 3.517 18944 3560 1 11 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.565 -0.057 18944 3561 1 11 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.571 -2.426 18944 3562 1 11 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.905 -0.948 18944 3563 1 11 . 1 1 58 58 ARG H H 58 8.454 8.454 8.041 0.413 18944 3564 1 11 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.232 0.122 18944 3565 1 11 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.474 0.985 18944 3566 1 11 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.121 1.897 18944 3567 1 11 . 1 1 60 60 ALA N N 60 121.683 121.683 122.606 -0.923 18944 3568 1 11 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.119 0.076 18944 3569 1 11 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.189 -0.243 18944 3570 1 11 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.086 -0.415 18944 3571 1 11 . 1 1 60 60 ALA H H 60 7.524 7.524 8.310 -0.786 18944 3572 1 11 . 1 1 61 61 LYS N N 61 118.243 118.243 118.714 -0.471 18944 3573 1 11 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.940 0.086 18944 3574 1 11 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.159 -0.555 18944 3575 1 11 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.370 0.357 18944 3576 1 11 . 1 1 61 61 LYS H H 61 7.352 7.352 7.593 -0.241 18944 3577 1 11 . 1 1 62 62 TRP N N 62 121.102 121.102 121.138 -0.036 18944 3578 1 11 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.269 0.374 18944 3579 1 11 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.346 -2.423 18944 3580 1 11 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.602 -0.016 18944 3581 1 11 . 1 1 62 62 TRP H H 62 7.934 7.934 8.556 -0.622 18944 3582 1 11 . 1 1 63 63 LYS N N 63 118.454 118.454 117.435 1.019 18944 3583 1 11 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.885 -0.228 18944 3584 1 11 . 1 1 63 63 LYS CA C 63 57.708 57.708 58.905 -1.197 18944 3585 1 11 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.973 0.700 18944 3586 1 11 . 1 1 63 63 LYS H H 63 8.328 8.328 8.467 -0.139 18944 3587 1 11 . 1 1 64 64 ARG N N 64 119.371 119.371 116.599 2.772 18944 3588 1 11 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.233 -0.139 18944 3589 1 11 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.702 -0.126 18944 3590 1 11 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.434 -0.392 18944 3591 1 11 . 1 1 64 64 ARG H H 64 7.605 7.605 7.657 -0.052 18944 3592 1 11 . 1 1 65 65 ILE N N 65 120.717 120.717 120.562 0.155 18944 3593 1 11 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.974 0.020 18944 3594 1 11 . 1 1 65 65 ILE CA C 65 62.122 62.122 62.941 -0.819 18944 3595 1 11 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.959 -0.759 18944 3596 1 11 . 1 1 65 65 ILE H H 65 7.933 7.933 7.672 0.261 18944 3597 1 11 . 1 1 66 66 LYS N N 66 123.684 123.684 121.596 2.088 18944 3598 1 11 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.960 0.180 18944 3599 1 11 . 1 1 66 66 LYS CA C 66 56.691 56.691 56.403 0.288 18944 3600 1 11 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.115 0.241 18944 3601 1 11 . 1 1 66 66 LYS H H 66 8.180 8.180 7.827 0.353 18944 3602 1 11 . 1 1 67 67 ALA N N 67 123.678 123.678 128.579 -4.901 18944 3603 1 11 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.002 0.272 18944 3604 1 11 . 1 1 67 67 ALA CA C 67 52.548 52.548 53.631 -1.083 18944 3605 1 11 . 1 1 67 67 ALA CB C 67 19.080 19.080 18.888 0.192 18944 3606 1 11 . 1 1 67 67 ALA H H 67 7.959 7.959 8.509 -0.550 18944 3607 1 11 . 1 1 68 68 GLY N N 68 107.345 107.345 106.494 0.851 18944 3608 1 11 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.779 -0.505 18944 3609 1 11 . 1 1 68 68 GLY H H 68 8.157 8.157 8.322 -0.165 18944 3610 1 11 . 1 1 69 69 ASN N N 69 118.854 118.854 122.457 -3.603 18944 3611 1 11 . 1 1 69 69 ASN HA H 69 4.757 4.757 5.064 -0.307 18944 3612 1 11 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.639 0.427 18944 3613 1 11 . 1 1 69 69 ASN CB C 69 38.948 38.948 39.947 -0.999 18944 3614 1 11 . 1 1 69 69 ASN H H 69 8.230 8.230 7.964 0.266 18944 3615 1 11 . 1 1 70 70 VAL N N 70 119.499 119.499 119.978 -0.479 18944 3616 1 11 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.378 -0.172 18944 3617 1 11 . 1 1 70 70 VAL CA C 70 62.062 62.062 61.507 0.555 18944 3618 1 11 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.543 1.261 18944 3619 1 11 . 1 1 70 70 VAL H H 70 8.109 8.109 8.021 0.088 18944 3620 1 12 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.425 0.015 18944 3621 1 12 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.722 0.578 18944 3622 1 12 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.483 -0.613 18944 3623 1 12 . 1 1 4 4 GLY N N 4 109.613 109.613 106.099 3.514 18944 3624 1 12 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.647 0.597 18944 3625 1 12 . 1 1 4 4 GLY H H 4 8.536 8.536 8.234 0.302 18944 3626 1 12 . 1 1 5 5 GLY N N 5 108.797 108.797 107.591 1.206 18944 3627 1 12 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.317 -0.065 18944 3628 1 12 . 1 1 5 5 GLY H H 5 8.298 8.298 8.289 0.009 18944 3629 1 12 . 1 1 6 6 LYS N N 6 120.988 120.988 123.584 -2.596 18944 3630 1 12 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.576 -0.629 18944 3631 1 12 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.329 0.929 18944 3632 1 12 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.766 0.144 18944 3633 1 12 . 1 1 6 6 LYS H H 6 8.313 8.313 8.588 -0.275 18944 3634 1 12 . 1 1 7 7 SER N N 7 116.912 116.912 115.697 1.215 18944 3635 1 12 . 1 1 7 7 SER HA H 7 4.420 4.420 4.818 -0.398 18944 3636 1 12 . 1 1 7 7 SER CA C 7 58.338 58.338 57.413 0.925 18944 3637 1 12 . 1 1 7 7 SER CB C 7 63.540 63.540 64.250 -0.710 18944 3638 1 12 . 1 1 7 7 SER H H 7 8.345 8.345 8.206 0.139 18944 3639 1 12 . 1 1 8 8 ARG N N 8 123.496 123.496 119.444 4.052 18944 3640 1 12 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.720 -0.381 18944 3641 1 12 . 1 1 8 8 ARG CA C 8 56.038 56.038 55.480 0.558 18944 3642 1 12 . 1 1 8 8 ARG CB C 8 30.596 30.596 31.588 -0.992 18944 3643 1 12 . 1 1 8 8 ARG H H 8 8.410 8.410 8.433 -0.023 18944 3644 1 12 . 1 1 9 9 ARG N N 9 122.569 122.569 124.403 -1.834 18944 3645 1 12 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.269 0.039 18944 3646 1 12 . 1 1 9 9 ARG CA C 9 55.979 55.979 56.784 -0.805 18944 3647 1 12 . 1 1 9 9 ARG CB C 9 30.700 30.700 30.843 -0.143 18944 3648 1 12 . 1 1 9 9 ARG H H 9 8.340 8.340 8.902 -0.562 18944 3649 1 12 . 1 1 10 10 ARG N N 10 123.464 123.464 120.071 3.393 18944 3650 1 12 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.110 0.218 18944 3651 1 12 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.406 -1.480 18944 3652 1 12 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.535 2.286 18944 3653 1 12 . 1 1 10 10 ARG H H 10 8.457 8.457 8.360 0.097 18944 3654 1 12 . 1 1 11 11 ARG N N 11 123.477 123.477 119.879 3.598 18944 3655 1 12 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.553 -0.164 18944 3656 1 12 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.134 -0.165 18944 3657 1 12 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.387 -0.548 18944 3658 1 12 . 1 1 11 11 ARG H H 11 8.540 8.540 8.670 -0.130 18944 3659 1 12 . 1 1 12 12 THR N N 12 116.338 116.338 114.044 2.294 18944 3660 1 12 . 1 1 12 12 THR HA H 12 4.289 4.289 4.613 -0.324 18944 3661 1 12 . 1 1 12 12 THR CA C 12 61.393 61.393 61.270 0.123 18944 3662 1 12 . 1 1 12 12 THR CB C 12 69.660 69.660 70.149 -0.489 18944 3663 1 12 . 1 1 12 12 THR H H 12 8.249 8.249 7.618 0.631 18944 3664 1 12 . 1 1 13 13 ALA N N 13 127.182 127.182 123.136 4.046 18944 3665 1 12 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.064 0.241 18944 3666 1 12 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.772 -1.748 18944 3667 1 12 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.076 0.578 18944 3668 1 12 . 1 1 13 13 ALA H H 13 8.275 8.275 8.457 -0.182 18944 3669 1 12 . 1 1 14 14 PHE N N 14 118.661 118.661 113.662 4.999 18944 3670 1 12 . 1 1 14 14 PHE HA H 14 4.963 4.963 4.583 0.380 18944 3671 1 12 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.276 -0.018 18944 3672 1 12 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.886 -1.167 18944 3673 1 12 . 1 1 14 14 PHE H H 14 8.060 8.060 7.503 0.557 18944 3674 1 12 . 1 1 15 15 THR N N 15 113.672 113.672 109.602 4.070 18944 3675 1 12 . 1 1 15 15 THR HA H 15 4.522 4.522 4.749 -0.227 18944 3676 1 12 . 1 1 15 15 THR CA C 15 60.272 60.272 59.495 0.777 18944 3677 1 12 . 1 1 15 15 THR CB C 15 70.919 70.919 71.316 -0.397 18944 3678 1 12 . 1 1 15 15 THR H H 15 9.139 9.139 8.132 1.007 18944 3679 1 12 . 1 1 16 16 SER N N 16 116.722 116.722 115.995 0.727 18944 3680 1 12 . 1 1 16 16 SER HA H 16 3.934 3.934 4.163 -0.229 18944 3681 1 12 . 1 1 16 16 SER CA C 16 62.071 62.071 62.178 -0.107 18944 3682 1 12 . 1 1 16 16 SER CB C 16 61.814 61.814 62.878 -1.064 18944 3683 1 12 . 1 1 16 16 SER H H 16 9.094 9.094 8.780 0.314 18944 3684 1 12 . 1 1 17 17 GLU N N 17 120.784 120.784 122.951 -2.167 18944 3685 1 12 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.132 -0.110 18944 3686 1 12 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.124 1.003 18944 3687 1 12 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.466 -0.358 18944 3688 1 12 . 1 1 17 17 GLU H H 17 8.673 8.673 7.631 1.042 18944 3689 1 12 . 1 1 18 18 GLN N N 18 118.707 118.707 118.386 0.321 18944 3690 1 12 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.071 -0.262 18944 3691 1 12 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.525 0.436 18944 3692 1 12 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.833 -0.853 18944 3693 1 12 . 1 1 18 18 GLN H H 18 7.748 7.748 7.921 -0.173 18944 3694 1 12 . 1 1 19 19 LEU N N 19 117.129 117.129 118.473 -1.344 18944 3695 1 12 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.784 -0.155 18944 3696 1 12 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.996 0.799 18944 3697 1 12 . 1 1 19 19 LEU CB C 19 41.611 41.611 42.257 -0.646 18944 3698 1 12 . 1 1 19 19 LEU H H 19 8.109 8.109 8.225 -0.116 18944 3699 1 12 . 1 1 20 20 LEU N N 20 119.459 119.459 120.174 -0.715 18944 3700 1 12 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.879 0.123 18944 3701 1 12 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.042 -0.039 18944 3702 1 12 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.825 0.133 18944 3703 1 12 . 1 1 20 20 LEU H H 20 7.948 7.948 7.359 0.589 18944 3704 1 12 . 1 1 21 21 GLU N N 21 118.593 118.593 116.662 1.931 18944 3705 1 12 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.043 0.043 18944 3706 1 12 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.906 -0.476 18944 3707 1 12 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.428 0.244 18944 3708 1 12 . 1 1 21 21 GLU H H 21 7.564 7.564 8.170 -0.606 18944 3709 1 12 . 1 1 22 22 LEU N N 22 122.405 122.405 119.770 2.635 18944 3710 1 12 . 1 1 22 22 LEU HA H 22 3.516 3.516 4.031 -0.515 18944 3711 1 12 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.094 1.135 18944 3712 1 12 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.538 -3.542 18944 3713 1 12 . 1 1 22 22 LEU H H 22 8.148 8.148 7.394 0.754 18944 3714 1 12 . 1 1 23 23 GLU N N 23 118.202 118.202 118.881 -0.679 18944 3715 1 12 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.157 0.125 18944 3716 1 12 . 1 1 23 23 GLU CA C 23 58.816 58.816 59.361 -0.545 18944 3717 1 12 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.018 -0.064 18944 3718 1 12 . 1 1 23 23 GLU H H 23 7.853 7.853 7.746 0.107 18944 3719 1 12 . 1 1 24 24 LYS N N 24 120.955 120.955 118.996 1.959 18944 3720 1 12 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.050 -0.024 18944 3721 1 12 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.159 0.695 18944 3722 1 12 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.382 -0.092 18944 3723 1 12 . 1 1 24 24 LYS H H 24 7.828 7.828 7.401 0.427 18944 3724 1 12 . 1 1 25 25 GLU N N 25 120.791 120.791 117.521 3.270 18944 3725 1 12 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.376 -0.117 18944 3726 1 12 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.450 0.270 18944 3727 1 12 . 1 1 25 25 GLU CB C 25 28.575 28.575 30.432 -1.857 18944 3728 1 12 . 1 1 25 25 GLU H H 25 8.153 8.153 7.660 0.493 18944 3729 1 12 . 1 1 26 26 PHE N N 26 115.094 115.094 122.174 -7.080 18944 3730 1 12 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.650 -0.158 18944 3731 1 12 . 1 1 26 26 PHE CA C 26 56.446 56.446 59.212 -2.766 18944 3732 1 12 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.855 2.967 18944 3733 1 12 . 1 1 26 26 PHE H H 26 7.404 7.404 7.929 -0.525 18944 3734 1 12 . 1 1 27 27 HIS N N 27 115.592 115.592 118.259 -2.667 18944 3735 1 12 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.127 -0.074 18944 3736 1 12 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.103 -1.613 18944 3737 1 12 . 1 1 27 27 HIS CB C 27 28.830 28.830 29.764 -0.934 18944 3738 1 12 . 1 1 27 27 HIS H H 27 8.057 8.057 8.456 -0.399 18944 3739 1 12 . 1 1 28 28 CYS N N 28 116.364 116.364 114.010 2.354 18944 3740 1 12 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.341 -0.316 18944 3741 1 12 . 1 1 28 28 CYS CA C 28 58.623 58.623 58.996 -0.373 18944 3742 1 12 . 1 1 28 28 CYS CB C 28 29.921 29.921 29.743 0.178 18944 3743 1 12 . 1 1 28 28 CYS H H 28 7.972 7.972 8.189 -0.217 18944 3744 1 12 . 1 1 29 29 LYS N N 29 122.054 122.054 123.262 -1.208 18944 3745 1 12 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.071 0.229 18944 3746 1 12 . 1 1 29 29 LYS CA C 29 56.241 56.241 57.396 -1.155 18944 3747 1 12 . 1 1 29 29 LYS CB C 29 35.189 35.189 31.709 3.480 18944 3748 1 12 . 1 1 29 29 LYS H H 29 8.521 8.521 8.183 0.338 18944 3749 1 12 . 1 1 30 30 LYS N N 30 118.250 118.250 122.243 -3.993 18944 3750 1 12 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.031 -0.328 18944 3751 1 12 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.615 -0.798 18944 3752 1 12 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.493 -0.039 18944 3753 1 12 . 1 1 30 30 LYS H H 30 7.830 7.830 8.386 -0.556 18944 3754 1 12 . 1 1 31 31 TYR N N 31 112.854 112.854 113.478 -0.624 18944 3755 1 12 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.729 -0.249 18944 3756 1 12 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.917 -0.545 18944 3757 1 12 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.225 1.934 18944 3758 1 12 . 1 1 31 31 TYR H H 31 7.294 7.294 7.266 0.028 18944 3759 1 12 . 1 1 32 32 LEU N N 32 122.615 122.615 120.396 2.219 18944 3760 1 12 . 1 1 32 32 LEU HA H 32 4.710 4.710 5.169 -0.459 18944 3761 1 12 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.174 -0.272 18944 3762 1 12 . 1 1 32 32 LEU CB C 32 44.626 44.626 45.987 -1.361 18944 3763 1 12 . 1 1 32 32 LEU H H 32 8.426 8.426 8.221 0.205 18944 3764 1 12 . 1 1 33 33 SER N N 33 119.224 119.224 116.362 2.862 18944 3765 1 12 . 1 1 33 33 SER HA H 33 4.583 4.583 4.629 -0.046 18944 3766 1 12 . 1 1 33 33 SER CA C 33 56.483 56.483 57.375 -0.892 18944 3767 1 12 . 1 1 33 33 SER CB C 33 65.258 65.258 65.061 0.197 18944 3768 1 12 . 1 1 33 33 SER H H 33 9.322 9.322 9.034 0.288 18944 3769 1 12 . 1 1 34 34 LEU N N 34 121.601 121.601 121.813 -0.212 18944 3770 1 12 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.041 -0.064 18944 3771 1 12 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.808 0.063 18944 3772 1 12 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.373 -0.010 18944 3773 1 12 . 1 1 34 34 LEU H H 34 8.808 8.808 8.693 0.115 18944 3774 1 12 . 1 1 35 35 THR N N 35 113.816 113.816 114.206 -0.390 18944 3775 1 12 . 1 1 35 35 THR HA H 35 3.944 3.944 3.952 -0.008 18944 3776 1 12 . 1 1 35 35 THR CA C 35 65.721 65.721 66.232 -0.511 18944 3777 1 12 . 1 1 35 35 THR CB C 35 68.367 68.367 68.727 -0.360 18944 3778 1 12 . 1 1 35 35 THR H H 35 8.104 8.104 8.162 -0.058 18944 3779 1 12 . 1 1 36 36 GLU N N 36 123.125 123.125 121.021 2.104 18944 3780 1 12 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.929 0.048 18944 3781 1 12 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.718 -0.840 18944 3782 1 12 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.479 0.928 18944 3783 1 12 . 1 1 36 36 GLU H H 36 7.691 7.691 7.828 -0.137 18944 3784 1 12 . 1 1 37 37 ARG N N 37 119.258 119.258 119.940 -0.682 18944 3785 1 12 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.942 -0.186 18944 3786 1 12 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.331 0.690 18944 3787 1 12 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.136 0.719 18944 3788 1 12 . 1 1 37 37 ARG H H 37 8.726 8.726 8.130 0.596 18944 3789 1 12 . 1 1 38 38 SER N N 38 113.573 113.573 115.578 -2.005 18944 3790 1 12 . 1 1 38 38 SER HA H 38 4.073 4.073 4.122 -0.049 18944 3791 1 12 . 1 1 38 38 SER CA C 38 61.865 61.865 62.285 -0.419 18944 3792 1 12 . 1 1 38 38 SER CB C 38 62.685 62.685 62.850 -0.165 18944 3793 1 12 . 1 1 38 38 SER H H 38 8.039 8.039 7.790 0.249 18944 3794 1 12 . 1 1 39 39 GLN N N 39 121.912 121.912 120.483 1.429 18944 3795 1 12 . 1 1 39 39 GLN HA H 39 4.115 4.115 4.203 -0.088 18944 3796 1 12 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.672 0.413 18944 3797 1 12 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.857 -0.690 18944 3798 1 12 . 1 1 39 39 GLN H H 39 8.033 8.033 7.957 0.076 18944 3799 1 12 . 1 1 40 40 ILE N N 40 121.716 121.716 120.737 0.979 18944 3800 1 12 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.786 0.093 18944 3801 1 12 . 1 1 40 40 ILE CA C 40 64.361 64.361 62.048 2.313 18944 3802 1 12 . 1 1 40 40 ILE CB C 40 38.129 38.129 36.419 1.710 18944 3803 1 12 . 1 1 40 40 ILE H H 40 8.205 8.205 8.256 -0.051 18944 3804 1 12 . 1 1 41 41 ALA N N 41 122.005 122.005 122.790 -0.785 18944 3805 1 12 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.953 -0.290 18944 3806 1 12 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.385 0.562 18944 3807 1 12 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.362 -0.846 18944 3808 1 12 . 1 1 41 41 ALA H H 41 8.301 8.301 8.310 -0.009 18944 3809 1 12 . 1 1 42 42 HIS N N 42 114.193 114.193 117.907 -3.714 18944 3810 1 12 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.214 0.180 18944 3811 1 12 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.837 -0.188 18944 3812 1 12 . 1 1 42 42 HIS CB C 42 28.871 28.871 29.472 -0.601 18944 3813 1 12 . 1 1 42 42 HIS H H 42 8.091 8.091 8.748 -0.657 18944 3814 1 12 . 1 1 43 43 ALA N N 43 122.121 122.121 121.886 0.235 18944 3815 1 12 . 1 1 43 43 ALA HA H 43 4.066 4.066 3.812 0.254 18944 3816 1 12 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.236 0.620 18944 3817 1 12 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.565 -0.248 18944 3818 1 12 . 1 1 43 43 ALA H H 43 8.167 8.167 7.832 0.335 18944 3819 1 12 . 1 1 44 44 LEU N N 44 114.117 114.117 116.469 -2.352 18944 3820 1 12 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.519 -0.192 18944 3821 1 12 . 1 1 44 44 LEU CA C 44 54.171 54.171 53.919 0.252 18944 3822 1 12 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.585 -0.113 18944 3823 1 12 . 1 1 44 44 LEU H H 44 8.037 8.037 7.341 0.696 18944 3824 1 12 . 1 1 45 45 LYS N N 45 117.081 117.081 113.983 3.098 18944 3825 1 12 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.838 0.110 18944 3826 1 12 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.733 -0.519 18944 3827 1 12 . 1 1 45 45 LYS CB C 45 28.359 28.359 29.663 -1.304 18944 3828 1 12 . 1 1 45 45 LYS H H 45 7.806 7.806 7.712 0.094 18944 3829 1 12 . 1 1 46 46 LEU N N 46 119.781 119.781 119.591 0.190 18944 3830 1 12 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.415 0.364 18944 3831 1 12 . 1 1 46 46 LEU CA C 46 52.375 52.375 54.484 -2.109 18944 3832 1 12 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.206 4.224 18944 3833 1 12 . 1 1 46 46 LEU H H 46 8.393 8.393 7.933 0.460 18944 3834 1 12 . 1 1 47 47 SER N N 47 114.982 114.982 114.499 0.483 18944 3835 1 12 . 1 1 47 47 SER HA H 47 4.772 4.772 4.618 0.154 18944 3836 1 12 . 1 1 47 47 SER CA C 47 56.659 56.659 56.998 -0.339 18944 3837 1 12 . 1 1 47 47 SER CB C 47 64.905 64.905 64.389 0.516 18944 3838 1 12 . 1 1 47 47 SER H H 47 8.817 8.817 8.272 0.545 18944 3839 1 12 . 1 1 48 48 GLU N N 48 122.917 122.917 123.333 -0.416 18944 3840 1 12 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.058 -0.395 18944 3841 1 12 . 1 1 48 48 GLU CA C 48 61.142 61.142 59.807 1.335 18944 3842 1 12 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.328 -0.335 18944 3843 1 12 . 1 1 48 48 GLU H H 48 9.232 9.232 9.028 0.204 18944 3844 1 12 . 1 1 49 49 VAL N N 49 118.250 118.250 121.790 -3.540 18944 3845 1 12 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.843 -0.073 18944 3846 1 12 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.235 -0.542 18944 3847 1 12 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.251 0.569 18944 3848 1 12 . 1 1 49 49 VAL H H 49 8.015 8.015 7.985 0.030 18944 3849 1 12 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.307 -0.152 18944 3850 1 12 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.368 -0.127 18944 3851 1 12 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.073 1.444 18944 3852 1 12 . 1 1 50 50 GLN H H 50 7.714 7.714 8.602 -0.888 18944 3853 1 12 . 1 1 51 51 VAL N N 51 119.155 119.155 119.586 -0.431 18944 3854 1 12 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.867 -0.174 18944 3855 1 12 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.187 1.217 18944 3856 1 12 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.980 1.213 18944 3857 1 12 . 1 1 51 51 VAL H H 51 7.705 7.705 8.371 -0.666 18944 3858 1 12 . 1 1 52 52 LYS N N 52 121.165 121.165 121.389 -0.224 18944 3859 1 12 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.025 0.248 18944 3860 1 12 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.019 -0.173 18944 3861 1 12 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.382 0.813 18944 3862 1 12 . 1 1 52 52 LYS H H 52 8.545 8.545 7.913 0.632 18944 3863 1 12 . 1 1 53 53 ILE N N 53 120.436 120.436 119.260 1.176 18944 3864 1 12 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.805 0.024 18944 3865 1 12 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.727 -1.496 18944 3866 1 12 . 1 1 53 53 ILE CB C 53 37.978 37.978 38.057 -0.079 18944 3867 1 12 . 1 1 53 53 ILE H H 53 8.733 8.733 8.486 0.247 18944 3868 1 12 . 1 1 54 54 TRP N N 54 122.076 122.076 121.178 0.898 18944 3869 1 12 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.113 -0.099 18944 3870 1 12 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.682 1.720 18944 3871 1 12 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.559 -0.702 18944 3872 1 12 . 1 1 54 54 TRP H H 54 8.522 8.522 7.824 0.698 18944 3873 1 12 . 1 1 55 55 PHE N N 55 119.314 119.314 118.121 1.193 18944 3874 1 12 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.952 -0.234 18944 3875 1 12 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.635 0.738 18944 3876 1 12 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.798 0.527 18944 3877 1 12 . 1 1 55 55 PHE H H 55 9.087 9.087 9.122 -0.035 18944 3878 1 12 . 1 1 56 56 GLN N N 56 119.067 119.067 118.814 0.253 18944 3879 1 12 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.960 0.035 18944 3880 1 12 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.582 -0.104 18944 3881 1 12 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.323 0.205 18944 3882 1 12 . 1 1 56 56 GLN H H 56 8.148 8.148 8.426 -0.278 18944 3883 1 12 . 1 1 57 57 ASN N N 57 119.662 119.662 118.841 0.821 18944 3884 1 12 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.429 -0.075 18944 3885 1 12 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.831 -0.514 18944 3886 1 12 . 1 1 57 57 ASN CB C 57 37.725 37.725 37.859 -0.134 18944 3887 1 12 . 1 1 57 57 ASN H H 57 8.396 8.396 7.803 0.593 18944 3888 1 12 . 1 1 58 58 ARG N N 58 124.411 124.411 120.880 3.531 18944 3889 1 12 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.624 -0.116 18944 3890 1 12 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.452 -2.307 18944 3891 1 12 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.980 -1.023 18944 3892 1 12 . 1 1 58 58 ARG H H 58 8.454 8.454 7.611 0.843 18944 3893 1 12 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.209 0.145 18944 3894 1 12 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.659 0.800 18944 3895 1 12 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.213 1.805 18944 3896 1 12 . 1 1 60 60 ALA N N 60 121.683 121.683 122.139 -0.456 18944 3897 1 12 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.103 0.092 18944 3898 1 12 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.068 -0.122 18944 3899 1 12 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.097 -0.426 18944 3900 1 12 . 1 1 60 60 ALA H H 60 7.524 7.524 8.024 -0.500 18944 3901 1 12 . 1 1 61 61 LYS N N 61 118.243 118.243 119.269 -1.026 18944 3902 1 12 . 1 1 61 61 LYS HA H 61 4.026 4.026 4.007 0.019 18944 3903 1 12 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.047 -0.443 18944 3904 1 12 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.413 0.314 18944 3905 1 12 . 1 1 61 61 LYS H H 61 7.352 7.352 7.716 -0.364 18944 3906 1 12 . 1 1 62 62 TRP N N 62 121.102 121.102 120.884 0.218 18944 3907 1 12 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.391 0.252 18944 3908 1 12 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.067 -2.144 18944 3909 1 12 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.610 -0.024 18944 3910 1 12 . 1 1 62 62 TRP H H 62 7.934 7.934 8.065 -0.131 18944 3911 1 12 . 1 1 63 63 LYS N N 63 118.454 118.454 117.872 0.582 18944 3912 1 12 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.475 0.182 18944 3913 1 12 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.285 -1.577 18944 3914 1 12 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.900 0.773 18944 3915 1 12 . 1 1 63 63 LYS H H 63 8.328 8.328 8.022 0.306 18944 3916 1 12 . 1 1 64 64 ARG N N 64 119.371 119.371 118.059 1.312 18944 3917 1 12 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.116 -0.022 18944 3918 1 12 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.513 0.062 18944 3919 1 12 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.514 0.528 18944 3920 1 12 . 1 1 64 64 ARG H H 64 7.605 7.605 7.573 0.032 18944 3921 1 12 . 1 1 65 65 ILE N N 65 120.717 120.717 120.315 0.402 18944 3922 1 12 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.046 -0.052 18944 3923 1 12 . 1 1 65 65 ILE CA C 65 62.122 62.122 63.466 -1.344 18944 3924 1 12 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.958 -0.758 18944 3925 1 12 . 1 1 65 65 ILE H H 65 7.933 7.933 7.792 0.141 18944 3926 1 12 . 1 1 66 66 LYS N N 66 123.684 123.684 121.078 2.606 18944 3927 1 12 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.965 0.175 18944 3928 1 12 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.938 -2.247 18944 3929 1 12 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.348 0.008 18944 3930 1 12 . 1 1 66 66 LYS H H 66 8.180 8.180 7.955 0.225 18944 3931 1 12 . 1 1 67 67 ALA N N 67 123.678 123.678 120.509 3.169 18944 3932 1 12 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.486 -0.212 18944 3933 1 12 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.596 0.952 18944 3934 1 12 . 1 1 67 67 ALA CB C 67 19.080 19.080 20.006 -0.926 18944 3935 1 12 . 1 1 67 67 ALA H H 67 7.959 7.959 7.814 0.145 18944 3936 1 12 . 1 1 68 68 GLY N N 68 107.345 107.345 108.474 -1.129 18944 3937 1 12 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.762 0.512 18944 3938 1 12 . 1 1 68 68 GLY H H 68 8.157 8.157 7.231 0.926 18944 3939 1 12 . 1 1 69 69 ASN N N 69 118.854 118.854 120.680 -1.826 18944 3940 1 12 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.968 -0.211 18944 3941 1 12 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.112 -0.046 18944 3942 1 12 . 1 1 69 69 ASN CB C 69 38.948 38.948 41.922 -2.974 18944 3943 1 12 . 1 1 69 69 ASN H H 69 8.230 8.230 8.086 0.144 18944 3944 1 12 . 1 1 70 70 VAL N N 70 119.499 119.499 119.464 0.035 18944 3945 1 12 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.451 -0.245 18944 3946 1 12 . 1 1 70 70 VAL CA C 70 62.062 62.062 62.599 -0.537 18944 3947 1 12 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.180 0.624 18944 3948 1 12 . 1 1 70 70 VAL H H 70 8.109 8.109 8.139 -0.030 18944 3949 1 13 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.472 -0.032 18944 3950 1 13 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.329 -0.028 18944 3951 1 13 . 1 1 3 3 PRO CB C 3 31.870 31.870 31.636 0.234 18944 3952 1 13 . 1 1 4 4 GLY N N 4 109.613 109.613 112.916 -3.303 18944 3953 1 13 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.805 0.439 18944 3954 1 13 . 1 1 4 4 GLY H H 4 8.536 8.536 8.580 -0.044 18944 3955 1 13 . 1 1 5 5 GLY N N 5 108.797 108.797 107.405 1.392 18944 3956 1 13 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.457 0.795 18944 3957 1 13 . 1 1 5 5 GLY H H 5 8.298 8.298 7.724 0.574 18944 3958 1 13 . 1 1 6 6 LYS N N 6 120.988 120.988 123.583 -2.595 18944 3959 1 13 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.213 -0.266 18944 3960 1 13 . 1 1 6 6 LYS CA C 6 57.258 57.258 57.183 0.075 18944 3961 1 13 . 1 1 6 6 LYS CB C 6 32.910 32.910 31.726 1.184 18944 3962 1 13 . 1 1 6 6 LYS H H 6 8.313 8.313 8.695 -0.382 18944 3963 1 13 . 1 1 7 7 SER N N 7 116.912 116.912 115.175 1.737 18944 3964 1 13 . 1 1 7 7 SER HA H 7 4.420 4.420 4.613 -0.193 18944 3965 1 13 . 1 1 7 7 SER CA C 7 58.338 58.338 58.001 0.337 18944 3966 1 13 . 1 1 7 7 SER CB C 7 63.540 63.540 64.202 -0.662 18944 3967 1 13 . 1 1 7 7 SER H H 7 8.345 8.345 7.973 0.372 18944 3968 1 13 . 1 1 8 8 ARG N N 8 123.496 123.496 118.751 4.745 18944 3969 1 13 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.053 0.286 18944 3970 1 13 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.391 -1.353 18944 3971 1 13 . 1 1 8 8 ARG CB C 8 30.596 30.596 29.413 1.183 18944 3972 1 13 . 1 1 8 8 ARG H H 8 8.410 8.410 8.819 -0.409 18944 3973 1 13 . 1 1 9 9 ARG N N 9 122.569 122.569 115.641 6.928 18944 3974 1 13 . 1 1 9 9 ARG HA H 9 4.308 4.308 3.841 0.467 18944 3975 1 13 . 1 1 9 9 ARG CA C 9 55.979 55.979 56.841 -0.862 18944 3976 1 13 . 1 1 9 9 ARG CB C 9 30.700 30.700 29.454 1.246 18944 3977 1 13 . 1 1 9 9 ARG H H 9 8.340 8.340 7.648 0.692 18944 3978 1 13 . 1 1 10 10 ARG N N 10 123.464 123.464 123.916 -0.452 18944 3979 1 13 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.259 0.069 18944 3980 1 13 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.400 -1.474 18944 3981 1 13 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.590 2.232 18944 3982 1 13 . 1 1 10 10 ARG H H 10 8.457 8.457 8.509 -0.052 18944 3983 1 13 . 1 1 11 11 ARG N N 11 123.477 123.477 121.039 2.438 18944 3984 1 13 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.469 -0.080 18944 3985 1 13 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.260 -0.291 18944 3986 1 13 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.338 -1.499 18944 3987 1 13 . 1 1 11 11 ARG H H 11 8.540 8.540 8.460 0.080 18944 3988 1 13 . 1 1 12 12 THR N N 12 116.338 116.338 115.196 1.142 18944 3989 1 13 . 1 1 12 12 THR HA H 12 4.289 4.289 4.525 -0.236 18944 3990 1 13 . 1 1 12 12 THR CA C 12 61.393 61.393 62.187 -0.794 18944 3991 1 13 . 1 1 12 12 THR CB C 12 69.660 69.660 71.178 -1.518 18944 3992 1 13 . 1 1 12 12 THR H H 12 8.249 8.249 7.588 0.661 18944 3993 1 13 . 1 1 13 13 ALA N N 13 127.182 127.182 128.733 -1.551 18944 3994 1 13 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.888 0.417 18944 3995 1 13 . 1 1 13 13 ALA CA C 13 52.024 52.024 54.271 -2.247 18944 3996 1 13 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.418 1.236 18944 3997 1 13 . 1 1 13 13 ALA H H 13 8.275 8.275 8.728 -0.453 18944 3998 1 13 . 1 1 14 14 PHE N N 14 118.661 118.661 116.816 1.845 18944 3999 1 13 . 1 1 14 14 PHE HA H 14 4.963 4.963 4.977 -0.014 18944 4000 1 13 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.322 -0.064 18944 4001 1 13 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.257 -1.538 18944 4002 1 13 . 1 1 14 14 PHE H H 14 8.060 8.060 8.127 -0.067 18944 4003 1 13 . 1 1 15 15 THR N N 15 113.672 113.672 109.739 3.933 18944 4004 1 13 . 1 1 15 15 THR HA H 15 4.522 4.522 4.929 -0.407 18944 4005 1 13 . 1 1 15 15 THR CA C 15 60.272 60.272 59.312 0.960 18944 4006 1 13 . 1 1 15 15 THR CB C 15 70.919 70.919 71.384 -0.465 18944 4007 1 13 . 1 1 15 15 THR H H 15 9.139 9.139 8.004 1.135 18944 4008 1 13 . 1 1 16 16 SER N N 16 116.722 116.722 115.568 1.154 18944 4009 1 13 . 1 1 16 16 SER HA H 16 3.934 3.934 4.228 -0.294 18944 4010 1 13 . 1 1 16 16 SER CA C 16 62.071 62.071 60.660 1.411 18944 4011 1 13 . 1 1 16 16 SER CB C 16 61.814 61.814 63.073 -1.259 18944 4012 1 13 . 1 1 16 16 SER H H 16 9.094 9.094 8.662 0.432 18944 4013 1 13 . 1 1 17 17 GLU N N 17 120.784 120.784 122.292 -1.508 18944 4014 1 13 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.210 -0.188 18944 4015 1 13 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.091 1.036 18944 4016 1 13 . 1 1 17 17 GLU CB C 17 29.108 29.108 30.019 -0.911 18944 4017 1 13 . 1 1 17 17 GLU H H 17 8.673 8.673 7.753 0.920 18944 4018 1 13 . 1 1 18 18 GLN N N 18 118.707 118.707 117.680 1.027 18944 4019 1 13 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.089 -0.280 18944 4020 1 13 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.160 0.801 18944 4021 1 13 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.844 -0.864 18944 4022 1 13 . 1 1 18 18 GLN H H 18 7.748 7.748 7.976 -0.228 18944 4023 1 13 . 1 1 19 19 LEU N N 19 117.129 117.129 116.983 0.146 18944 4024 1 13 . 1 1 19 19 LEU HA H 19 3.629 3.629 4.086 -0.457 18944 4025 1 13 . 1 1 19 19 LEU CA C 19 57.795 57.795 54.416 3.379 18944 4026 1 13 . 1 1 19 19 LEU CB C 19 41.611 41.611 42.382 -0.771 18944 4027 1 13 . 1 1 19 19 LEU H H 19 8.109 8.109 7.319 0.790 18944 4028 1 13 . 1 1 20 20 LEU N N 20 119.459 119.459 119.809 -0.350 18944 4029 1 13 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.220 -0.218 18944 4030 1 13 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.257 0.746 18944 4031 1 13 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.648 -0.690 18944 4032 1 13 . 1 1 20 20 LEU H H 20 7.948 7.948 7.631 0.317 18944 4033 1 13 . 1 1 21 21 GLU N N 21 118.593 118.593 117.406 1.187 18944 4034 1 13 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.100 -0.014 18944 4035 1 13 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.520 -0.090 18944 4036 1 13 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.864 -0.192 18944 4037 1 13 . 1 1 21 21 GLU H H 21 7.564 7.564 8.368 -0.804 18944 4038 1 13 . 1 1 22 22 LEU N N 22 122.405 122.405 118.647 3.758 18944 4039 1 13 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.791 -0.275 18944 4040 1 13 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.611 0.618 18944 4041 1 13 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.618 -2.622 18944 4042 1 13 . 1 1 22 22 LEU H H 22 8.148 8.148 7.663 0.485 18944 4043 1 13 . 1 1 23 23 GLU N N 23 118.202 118.202 116.530 1.672 18944 4044 1 13 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.156 0.126 18944 4045 1 13 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.787 0.029 18944 4046 1 13 . 1 1 23 23 GLU CB C 23 28.954 28.954 28.953 0.001 18944 4047 1 13 . 1 1 23 23 GLU H H 23 7.853 7.853 8.140 -0.287 18944 4048 1 13 . 1 1 24 24 LYS N N 24 120.955 120.955 120.016 0.939 18944 4049 1 13 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.108 -0.082 18944 4050 1 13 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.519 0.335 18944 4051 1 13 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.551 -0.261 18944 4052 1 13 . 1 1 24 24 LYS H H 24 7.828 7.828 8.197 -0.369 18944 4053 1 13 . 1 1 25 25 GLU N N 25 120.791 120.791 119.565 1.226 18944 4054 1 13 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.151 0.108 18944 4055 1 13 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.393 -0.673 18944 4056 1 13 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.496 -0.921 18944 4057 1 13 . 1 1 25 25 GLU H H 25 8.153 8.153 8.087 0.066 18944 4058 1 13 . 1 1 26 26 PHE N N 26 115.094 115.094 118.260 -3.166 18944 4059 1 13 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.686 -0.194 18944 4060 1 13 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.604 -2.158 18944 4061 1 13 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.621 2.201 18944 4062 1 13 . 1 1 26 26 PHE H H 26 7.404 7.404 7.510 -0.106 18944 4063 1 13 . 1 1 27 27 HIS N N 27 115.592 115.592 119.599 -4.007 18944 4064 1 13 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.277 -0.224 18944 4065 1 13 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.516 -2.026 18944 4066 1 13 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.656 -1.826 18944 4067 1 13 . 1 1 27 27 HIS H H 27 8.057 8.057 7.872 0.185 18944 4068 1 13 . 1 1 28 28 CYS N N 28 116.364 116.364 115.328 1.036 18944 4069 1 13 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.461 -0.436 18944 4070 1 13 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.506 -1.883 18944 4071 1 13 . 1 1 28 28 CYS CB C 28 29.921 29.921 28.418 1.503 18944 4072 1 13 . 1 1 28 28 CYS H H 28 7.972 7.972 7.927 0.045 18944 4073 1 13 . 1 1 29 29 LYS N N 29 122.054 122.054 119.126 2.928 18944 4074 1 13 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.288 0.012 18944 4075 1 13 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.383 0.858 18944 4076 1 13 . 1 1 29 29 LYS CB C 29 35.189 35.189 34.191 0.998 18944 4077 1 13 . 1 1 29 29 LYS H H 29 8.521 8.521 7.324 1.197 18944 4078 1 13 . 1 1 30 30 LYS N N 30 118.250 118.250 115.998 2.252 18944 4079 1 13 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.587 0.116 18944 4080 1 13 . 1 1 30 30 LYS CA C 30 55.817 55.817 55.567 0.250 18944 4081 1 13 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.643 -1.189 18944 4082 1 13 . 1 1 30 30 LYS H H 30 7.830 7.830 8.237 -0.407 18944 4083 1 13 . 1 1 31 31 TYR N N 31 112.854 112.854 115.662 -2.808 18944 4084 1 13 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.888 -0.408 18944 4085 1 13 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.617 -0.245 18944 4086 1 13 . 1 1 31 31 TYR CB C 31 41.159 41.159 38.855 2.304 18944 4087 1 13 . 1 1 31 31 TYR H H 31 7.294 7.294 7.134 0.160 18944 4088 1 13 . 1 1 32 32 LEU N N 32 122.615 122.615 120.657 1.958 18944 4089 1 13 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.725 -0.015 18944 4090 1 13 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.327 -0.425 18944 4091 1 13 . 1 1 32 32 LEU CB C 32 44.626 44.626 43.785 0.841 18944 4092 1 13 . 1 1 32 32 LEU H H 32 8.426 8.426 8.338 0.088 18944 4093 1 13 . 1 1 33 33 SER N N 33 119.224 119.224 114.840 4.384 18944 4094 1 13 . 1 1 33 33 SER HA H 33 4.583 4.583 4.566 0.017 18944 4095 1 13 . 1 1 33 33 SER CA C 33 56.483 56.483 57.559 -1.076 18944 4096 1 13 . 1 1 33 33 SER CB C 33 65.258 65.258 64.278 0.980 18944 4097 1 13 . 1 1 33 33 SER H H 33 9.322 9.322 8.146 1.176 18944 4098 1 13 . 1 1 34 34 LEU N N 34 121.601 121.601 119.421 2.180 18944 4099 1 13 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.408 -0.431 18944 4100 1 13 . 1 1 34 34 LEU CA C 34 58.871 58.871 55.340 3.531 18944 4101 1 13 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.998 -0.635 18944 4102 1 13 . 1 1 34 34 LEU H H 34 8.808 8.808 8.599 0.209 18944 4103 1 13 . 1 1 35 35 THR N N 35 113.816 113.816 113.089 0.727 18944 4104 1 13 . 1 1 35 35 THR HA H 35 3.944 3.944 4.306 -0.362 18944 4105 1 13 . 1 1 35 35 THR CA C 35 65.721 65.721 64.249 1.472 18944 4106 1 13 . 1 1 35 35 THR CB C 35 68.367 68.367 70.069 -1.702 18944 4107 1 13 . 1 1 35 35 THR H H 35 8.104 8.104 7.392 0.712 18944 4108 1 13 . 1 1 36 36 GLU N N 36 123.125 123.125 121.727 1.398 18944 4109 1 13 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.017 -0.040 18944 4110 1 13 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.843 -0.965 18944 4111 1 13 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.348 1.059 18944 4112 1 13 . 1 1 36 36 GLU H H 36 7.691 7.691 7.980 -0.289 18944 4113 1 13 . 1 1 37 37 ARG N N 37 119.258 119.258 119.426 -0.168 18944 4114 1 13 . 1 1 37 37 ARG HA H 37 3.756 3.756 4.055 -0.299 18944 4115 1 13 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.186 0.835 18944 4116 1 13 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.107 0.748 18944 4117 1 13 . 1 1 37 37 ARG H H 37 8.726 8.726 7.713 1.013 18944 4118 1 13 . 1 1 38 38 SER N N 38 113.573 113.573 115.196 -1.623 18944 4119 1 13 . 1 1 38 38 SER HA H 38 4.073 4.073 4.123 -0.050 18944 4120 1 13 . 1 1 38 38 SER CA C 38 61.865 61.865 61.417 0.448 18944 4121 1 13 . 1 1 38 38 SER CB C 38 62.685 62.685 62.643 0.042 18944 4122 1 13 . 1 1 38 38 SER H H 38 8.039 8.039 7.797 0.242 18944 4123 1 13 . 1 1 39 39 GLN N N 39 121.912 121.912 120.894 1.018 18944 4124 1 13 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.961 0.154 18944 4125 1 13 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.156 -0.071 18944 4126 1 13 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.797 -0.630 18944 4127 1 13 . 1 1 39 39 GLN H H 39 8.033 8.033 7.627 0.406 18944 4128 1 13 . 1 1 40 40 ILE N N 40 121.716 121.716 120.370 1.346 18944 4129 1 13 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.642 0.237 18944 4130 1 13 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.071 -0.710 18944 4131 1 13 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.567 0.562 18944 4132 1 13 . 1 1 40 40 ILE H H 40 8.205 8.205 8.211 -0.006 18944 4133 1 13 . 1 1 41 41 ALA N N 41 122.005 122.005 122.367 -0.362 18944 4134 1 13 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.955 -0.292 18944 4135 1 13 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.311 0.636 18944 4136 1 13 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.218 -0.702 18944 4137 1 13 . 1 1 41 41 ALA H H 41 8.301 8.301 8.278 0.023 18944 4138 1 13 . 1 1 42 42 HIS N N 42 114.193 114.193 118.280 -4.087 18944 4139 1 13 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.268 0.126 18944 4140 1 13 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.875 -0.226 18944 4141 1 13 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.111 -1.240 18944 4142 1 13 . 1 1 42 42 HIS H H 42 8.091 8.091 8.157 -0.066 18944 4143 1 13 . 1 1 43 43 ALA N N 43 122.121 122.121 123.569 -1.448 18944 4144 1 13 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.114 -0.048 18944 4145 1 13 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.978 -0.122 18944 4146 1 13 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.692 -0.375 18944 4147 1 13 . 1 1 43 43 ALA H H 43 8.167 8.167 8.501 -0.334 18944 4148 1 13 . 1 1 44 44 LEU N N 44 114.117 114.117 117.314 -3.197 18944 4149 1 13 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.306 0.021 18944 4150 1 13 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.703 -0.532 18944 4151 1 13 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.242 0.230 18944 4152 1 13 . 1 1 44 44 LEU H H 44 8.037 8.037 7.962 0.075 18944 4153 1 13 . 1 1 45 45 LYS N N 45 117.081 117.081 116.289 0.792 18944 4154 1 13 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.925 0.023 18944 4155 1 13 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.498 -0.284 18944 4156 1 13 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.977 -2.618 18944 4157 1 13 . 1 1 45 45 LYS H H 45 7.806 7.806 7.671 0.135 18944 4158 1 13 . 1 1 46 46 LEU N N 46 119.781 119.781 118.766 1.015 18944 4159 1 13 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.369 0.410 18944 4160 1 13 . 1 1 46 46 LEU CA C 46 52.375 52.375 55.149 -2.774 18944 4161 1 13 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.021 4.409 18944 4162 1 13 . 1 1 46 46 LEU H H 46 8.393 8.393 8.022 0.371 18944 4163 1 13 . 1 1 47 47 SER N N 47 114.982 114.982 112.767 2.215 18944 4164 1 13 . 1 1 47 47 SER HA H 47 4.772 4.772 4.745 0.027 18944 4165 1 13 . 1 1 47 47 SER CA C 47 56.659 56.659 56.900 -0.241 18944 4166 1 13 . 1 1 47 47 SER CB C 47 64.905 64.905 65.657 -0.752 18944 4167 1 13 . 1 1 47 47 SER H H 47 8.817 8.817 8.069 0.748 18944 4168 1 13 . 1 1 48 48 GLU N N 48 122.917 122.917 123.037 -0.120 18944 4169 1 13 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.077 -0.414 18944 4170 1 13 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.207 0.935 18944 4171 1 13 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.621 -0.628 18944 4172 1 13 . 1 1 48 48 GLU H H 48 9.232 9.232 9.110 0.122 18944 4173 1 13 . 1 1 49 49 VAL N N 49 118.250 118.250 119.395 -1.145 18944 4174 1 13 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.786 -0.016 18944 4175 1 13 . 1 1 49 49 VAL CA C 49 65.693 65.693 65.963 -0.270 18944 4176 1 13 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.527 0.293 18944 4177 1 13 . 1 1 49 49 VAL H H 49 8.015 8.015 8.148 -0.133 18944 4178 1 13 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.106 0.049 18944 4179 1 13 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.221 0.020 18944 4180 1 13 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.306 1.211 18944 4181 1 13 . 1 1 50 50 GLN H H 50 7.714 7.714 7.781 -0.067 18944 4182 1 13 . 1 1 51 51 VAL N N 51 119.155 119.155 119.427 -0.272 18944 4183 1 13 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.955 -0.262 18944 4184 1 13 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.263 1.141 18944 4185 1 13 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.894 1.299 18944 4186 1 13 . 1 1 51 51 VAL H H 51 7.705 7.705 8.032 -0.327 18944 4187 1 13 . 1 1 52 52 LYS N N 52 121.165 121.165 121.400 -0.235 18944 4188 1 13 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.130 0.143 18944 4189 1 13 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.214 -0.368 18944 4190 1 13 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.481 0.714 18944 4191 1 13 . 1 1 52 52 LYS H H 52 8.545 8.545 8.033 0.512 18944 4192 1 13 . 1 1 53 53 ILE N N 53 120.436 120.436 119.321 1.115 18944 4193 1 13 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.723 0.106 18944 4194 1 13 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.170 -0.939 18944 4195 1 13 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.870 0.108 18944 4196 1 13 . 1 1 53 53 ILE H H 53 8.733 8.733 8.463 0.270 18944 4197 1 13 . 1 1 54 54 TRP N N 54 122.076 122.076 121.832 0.244 18944 4198 1 13 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.199 -0.185 18944 4199 1 13 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.881 1.521 18944 4200 1 13 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.484 -0.627 18944 4201 1 13 . 1 1 54 54 TRP H H 54 8.522 8.522 8.153 0.369 18944 4202 1 13 . 1 1 55 55 PHE N N 55 119.314 119.314 118.218 1.096 18944 4203 1 13 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.983 -0.265 18944 4204 1 13 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.935 0.438 18944 4205 1 13 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.772 0.553 18944 4206 1 13 . 1 1 55 55 PHE H H 55 9.087 9.087 9.267 -0.180 18944 4207 1 13 . 1 1 56 56 GLN N N 56 119.067 119.067 118.066 1.001 18944 4208 1 13 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.998 -0.003 18944 4209 1 13 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.286 0.192 18944 4210 1 13 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.279 0.249 18944 4211 1 13 . 1 1 56 56 GLN H H 56 8.148 8.148 8.855 -0.707 18944 4212 1 13 . 1 1 57 57 ASN N N 57 119.662 119.662 119.117 0.545 18944 4213 1 13 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.346 0.008 18944 4214 1 13 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.420 -1.103 18944 4215 1 13 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.195 -0.470 18944 4216 1 13 . 1 1 57 57 ASN H H 57 8.396 8.396 7.905 0.491 18944 4217 1 13 . 1 1 58 58 ARG N N 58 124.411 124.411 120.365 4.046 18944 4218 1 13 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.619 -0.111 18944 4219 1 13 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.291 -2.146 18944 4220 1 13 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.583 -0.626 18944 4221 1 13 . 1 1 58 58 ARG H H 58 8.454 8.454 7.339 1.115 18944 4222 1 13 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.455 -0.101 18944 4223 1 13 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.399 1.060 18944 4224 1 13 . 1 1 59 59 ARG CB C 59 32.018 32.018 29.859 2.159 18944 4225 1 13 . 1 1 60 60 ALA N N 60 121.683 121.683 121.585 0.098 18944 4226 1 13 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.114 0.081 18944 4227 1 13 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.085 -0.139 18944 4228 1 13 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.082 -0.411 18944 4229 1 13 . 1 1 60 60 ALA H H 60 7.524 7.524 7.723 -0.199 18944 4230 1 13 . 1 1 61 61 LYS N N 61 118.243 118.243 119.319 -1.076 18944 4231 1 13 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.956 0.070 18944 4232 1 13 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.289 -0.686 18944 4233 1 13 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.466 0.261 18944 4234 1 13 . 1 1 61 61 LYS H H 61 7.352 7.352 7.530 -0.178 18944 4235 1 13 . 1 1 62 62 TRP N N 62 121.102 121.102 120.845 0.257 18944 4236 1 13 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.320 0.323 18944 4237 1 13 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.927 -2.004 18944 4238 1 13 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.486 0.100 18944 4239 1 13 . 1 1 62 62 TRP H H 62 7.934 7.934 8.468 -0.534 18944 4240 1 13 . 1 1 63 63 LYS N N 63 118.454 118.454 117.823 0.631 18944 4241 1 13 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.460 0.197 18944 4242 1 13 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.837 -2.129 18944 4243 1 13 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.680 0.993 18944 4244 1 13 . 1 1 63 63 LYS H H 63 8.328 8.328 8.037 0.291 18944 4245 1 13 . 1 1 64 64 ARG N N 64 119.371 119.371 118.815 0.556 18944 4246 1 13 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.125 -0.031 18944 4247 1 13 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.935 -0.360 18944 4248 1 13 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.567 0.475 18944 4249 1 13 . 1 1 64 64 ARG H H 64 7.605 7.605 7.581 0.024 18944 4250 1 13 . 1 1 65 65 ILE N N 65 120.717 120.717 119.055 1.662 18944 4251 1 13 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.766 0.228 18944 4252 1 13 . 1 1 65 65 ILE CA C 65 62.122 62.122 64.865 -2.743 18944 4253 1 13 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.114 0.086 18944 4254 1 13 . 1 1 65 65 ILE H H 65 7.933 7.933 7.687 0.246 18944 4255 1 13 . 1 1 66 66 LYS N N 66 123.684 123.684 119.453 4.231 18944 4256 1 13 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.025 0.115 18944 4257 1 13 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.797 -2.106 18944 4258 1 13 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.779 -0.423 18944 4259 1 13 . 1 1 66 66 LYS H H 66 8.180 8.180 8.062 0.118 18944 4260 1 13 . 1 1 67 67 ALA N N 67 123.678 123.678 118.658 5.020 18944 4261 1 13 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.462 -0.188 18944 4262 1 13 . 1 1 67 67 ALA CA C 67 52.548 52.548 51.782 0.766 18944 4263 1 13 . 1 1 67 67 ALA CB C 67 19.080 19.080 20.482 -1.402 18944 4264 1 13 . 1 1 67 67 ALA H H 67 7.959 7.959 8.057 -0.098 18944 4265 1 13 . 1 1 68 68 GLY N N 68 107.345 107.345 108.265 -0.920 18944 4266 1 13 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.231 0.043 18944 4267 1 13 . 1 1 68 68 GLY H H 68 8.157 8.157 7.878 0.279 18944 4268 1 13 . 1 1 69 69 ASN N N 69 118.854 118.854 117.388 1.466 18944 4269 1 13 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.396 0.361 18944 4270 1 13 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.971 -0.905 18944 4271 1 13 . 1 1 69 69 ASN CB C 69 38.948 38.948 38.325 0.623 18944 4272 1 13 . 1 1 69 69 ASN H H 69 8.230 8.230 8.028 0.202 18944 4273 1 13 . 1 1 70 70 VAL N N 70 119.499 119.499 114.459 5.040 18944 4274 1 13 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.650 0.556 18944 4275 1 13 . 1 1 70 70 VAL CA C 70 62.062 62.062 62.919 -0.856 18944 4276 1 13 . 1 1 70 70 VAL CB C 70 32.804 32.804 30.090 2.714 18944 4277 1 13 . 1 1 70 70 VAL H H 70 8.109 8.109 8.160 -0.051 18944 4278 1 14 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.346 0.094 18944 4279 1 14 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.137 0.164 18944 4280 1 14 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.289 -0.419 18944 4281 1 14 . 1 1 4 4 GLY N N 4 109.613 109.613 105.381 4.232 18944 4282 1 14 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.059 0.185 18944 4283 1 14 . 1 1 4 4 GLY H H 4 8.536 8.536 8.355 0.181 18944 4284 1 14 . 1 1 5 5 GLY N N 5 108.797 108.797 108.012 0.785 18944 4285 1 14 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.249 0.003 18944 4286 1 14 . 1 1 5 5 GLY H H 5 8.298 8.298 8.093 0.205 18944 4287 1 14 . 1 1 6 6 LYS N N 6 120.988 120.988 123.474 -2.486 18944 4288 1 14 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.650 -0.703 18944 4289 1 14 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.782 1.476 18944 4290 1 14 . 1 1 6 6 LYS CB C 6 32.910 32.910 33.112 -0.202 18944 4291 1 14 . 1 1 6 6 LYS H H 6 8.313 8.313 8.208 0.105 18944 4292 1 14 . 1 1 7 7 SER N N 7 116.912 116.912 118.485 -1.573 18944 4293 1 14 . 1 1 7 7 SER HA H 7 4.420 4.420 4.509 -0.089 18944 4294 1 14 . 1 1 7 7 SER CA C 7 58.338 58.338 58.240 0.098 18944 4295 1 14 . 1 1 7 7 SER CB C 7 63.540 63.540 63.894 -0.354 18944 4296 1 14 . 1 1 7 7 SER H H 7 8.345 8.345 8.685 -0.340 18944 4297 1 14 . 1 1 8 8 ARG N N 8 123.496 123.496 116.773 6.723 18944 4298 1 14 . 1 1 8 8 ARG HA H 8 4.339 4.339 3.947 0.392 18944 4299 1 14 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.411 -1.373 18944 4300 1 14 . 1 1 8 8 ARG CB C 8 30.596 30.596 27.277 3.319 18944 4301 1 14 . 1 1 8 8 ARG H H 8 8.410 8.410 8.913 -0.503 18944 4302 1 14 . 1 1 9 9 ARG N N 9 122.569 122.569 119.223 3.346 18944 4303 1 14 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.018 0.290 18944 4304 1 14 . 1 1 9 9 ARG CA C 9 55.979 55.979 57.749 -1.770 18944 4305 1 14 . 1 1 9 9 ARG CB C 9 30.700 30.700 30.351 0.349 18944 4306 1 14 . 1 1 9 9 ARG H H 9 8.340 8.340 8.217 0.123 18944 4307 1 14 . 1 1 10 10 ARG N N 10 123.464 123.464 116.854 6.610 18944 4308 1 14 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.057 0.271 18944 4309 1 14 . 1 1 10 10 ARG CA C 10 55.926 55.926 56.961 -1.035 18944 4310 1 14 . 1 1 10 10 ARG CB C 10 30.821 30.821 27.787 3.034 18944 4311 1 14 . 1 1 10 10 ARG H H 10 8.457 8.457 8.278 0.179 18944 4312 1 14 . 1 1 11 11 ARG N N 11 123.477 123.477 119.921 3.556 18944 4313 1 14 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.596 -0.207 18944 4314 1 14 . 1 1 11 11 ARG CA C 11 55.969 55.969 54.736 1.233 18944 4315 1 14 . 1 1 11 11 ARG CB C 11 30.839 30.839 33.027 -2.188 18944 4316 1 14 . 1 1 11 11 ARG H H 11 8.540 8.540 8.279 0.261 18944 4317 1 14 . 1 1 12 12 THR N N 12 116.338 116.338 116.684 -0.346 18944 4318 1 14 . 1 1 12 12 THR HA H 12 4.289 4.289 4.116 0.173 18944 4319 1 14 . 1 1 12 12 THR CA C 12 61.393 61.393 62.887 -1.494 18944 4320 1 14 . 1 1 12 12 THR CB C 12 69.660 69.660 69.011 0.649 18944 4321 1 14 . 1 1 12 12 THR H H 12 8.249 8.249 8.262 -0.013 18944 4322 1 14 . 1 1 13 13 ALA N N 13 127.182 127.182 123.118 4.064 18944 4323 1 14 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.145 0.160 18944 4324 1 14 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.573 -1.549 18944 4325 1 14 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.435 0.219 18944 4326 1 14 . 1 1 13 13 ALA H H 13 8.275 8.275 8.532 -0.257 18944 4327 1 14 . 1 1 14 14 PHE N N 14 118.661 118.661 113.753 4.908 18944 4328 1 14 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.153 -0.190 18944 4329 1 14 . 1 1 14 14 PHE CA C 14 56.258 56.258 54.945 1.313 18944 4330 1 14 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.165 -1.446 18944 4331 1 14 . 1 1 14 14 PHE H H 14 8.060 8.060 7.669 0.391 18944 4332 1 14 . 1 1 15 15 THR N N 15 113.672 113.672 114.339 -0.667 18944 4333 1 14 . 1 1 15 15 THR HA H 15 4.522 4.522 4.724 -0.202 18944 4334 1 14 . 1 1 15 15 THR CA C 15 60.272 60.272 60.282 -0.010 18944 4335 1 14 . 1 1 15 15 THR CB C 15 70.919 70.919 70.769 0.150 18944 4336 1 14 . 1 1 15 15 THR H H 15 9.139 9.139 9.101 0.038 18944 4337 1 14 . 1 1 16 16 SER N N 16 116.722 116.722 115.222 1.500 18944 4338 1 14 . 1 1 16 16 SER HA H 16 3.934 3.934 4.275 -0.341 18944 4339 1 14 . 1 1 16 16 SER CA C 16 62.071 62.071 61.270 0.801 18944 4340 1 14 . 1 1 16 16 SER CB C 16 61.814 61.814 62.910 -1.096 18944 4341 1 14 . 1 1 16 16 SER H H 16 9.094 9.094 8.719 0.375 18944 4342 1 14 . 1 1 17 17 GLU N N 17 120.784 120.784 122.270 -1.486 18944 4343 1 14 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.017 0.005 18944 4344 1 14 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.427 0.700 18944 4345 1 14 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.757 -0.649 18944 4346 1 14 . 1 1 17 17 GLU H H 17 8.673 8.673 7.534 1.139 18944 4347 1 14 . 1 1 18 18 GLN N N 18 118.707 118.707 119.368 -0.661 18944 4348 1 14 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.912 -0.103 18944 4349 1 14 . 1 1 18 18 GLN CA C 18 58.961 58.961 59.248 -0.287 18944 4350 1 14 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.928 -0.948 18944 4351 1 14 . 1 1 18 18 GLN H H 18 7.748 7.748 7.690 0.058 18944 4352 1 14 . 1 1 19 19 LEU N N 19 117.129 117.129 117.901 -0.772 18944 4353 1 14 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.783 -0.154 18944 4354 1 14 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.689 1.106 18944 4355 1 14 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.681 -0.070 18944 4356 1 14 . 1 1 19 19 LEU H H 19 8.109 8.109 8.300 -0.191 18944 4357 1 14 . 1 1 20 20 LEU N N 20 119.459 119.459 120.310 -0.851 18944 4358 1 14 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.334 -0.332 18944 4359 1 14 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.105 0.898 18944 4360 1 14 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.320 -0.362 18944 4361 1 14 . 1 1 20 20 LEU H H 20 7.948 7.948 7.699 0.249 18944 4362 1 14 . 1 1 21 21 GLU N N 21 118.593 118.593 119.690 -1.097 18944 4363 1 14 . 1 1 21 21 GLU HA H 21 4.086 4.086 3.992 0.094 18944 4364 1 14 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.299 -0.869 18944 4365 1 14 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.081 0.591 18944 4366 1 14 . 1 1 21 21 GLU H H 21 7.564 7.564 8.346 -0.782 18944 4367 1 14 . 1 1 22 22 LEU N N 22 122.405 122.405 118.953 3.452 18944 4368 1 14 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.949 -0.433 18944 4369 1 14 . 1 1 22 22 LEU CA C 22 58.229 58.229 58.108 0.122 18944 4370 1 14 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.845 -2.849 18944 4371 1 14 . 1 1 22 22 LEU H H 22 8.148 8.148 7.624 0.524 18944 4372 1 14 . 1 1 23 23 GLU N N 23 118.202 118.202 116.265 1.937 18944 4373 1 14 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.349 -0.067 18944 4374 1 14 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.402 0.414 18944 4375 1 14 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.330 -0.376 18944 4376 1 14 . 1 1 23 23 GLU H H 23 7.853 7.853 7.708 0.145 18944 4377 1 14 . 1 1 24 24 LYS N N 24 120.955 120.955 120.484 0.471 18944 4378 1 14 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.063 -0.037 18944 4379 1 14 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.540 0.314 18944 4380 1 14 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.433 -0.143 18944 4381 1 14 . 1 1 24 24 LYS H H 24 7.828 7.828 7.687 0.141 18944 4382 1 14 . 1 1 25 25 GLU N N 25 120.791 120.791 119.028 1.763 18944 4383 1 14 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.200 0.059 18944 4384 1 14 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.191 -0.471 18944 4385 1 14 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.814 -1.239 18944 4386 1 14 . 1 1 25 25 GLU H H 25 8.153 8.153 8.087 0.066 18944 4387 1 14 . 1 1 26 26 PHE N N 26 115.094 115.094 119.112 -4.018 18944 4388 1 14 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.945 -0.453 18944 4389 1 14 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.321 -1.875 18944 4390 1 14 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.123 2.699 18944 4391 1 14 . 1 1 26 26 PHE H H 26 7.404 7.404 7.715 -0.311 18944 4392 1 14 . 1 1 27 27 HIS N N 27 115.592 115.592 119.072 -3.480 18944 4393 1 14 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.229 -0.176 18944 4394 1 14 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.427 -1.937 18944 4395 1 14 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.307 -1.477 18944 4396 1 14 . 1 1 27 27 HIS H H 27 8.057 8.057 7.945 0.112 18944 4397 1 14 . 1 1 28 28 CYS N N 28 116.364 116.364 116.407 -0.043 18944 4398 1 14 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.327 -0.302 18944 4399 1 14 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.029 -1.405 18944 4400 1 14 . 1 1 28 28 CYS CB C 28 29.921 29.921 29.611 0.310 18944 4401 1 14 . 1 1 28 28 CYS H H 28 7.972 7.972 7.944 0.028 18944 4402 1 14 . 1 1 29 29 LYS N N 29 122.054 122.054 120.875 1.179 18944 4403 1 14 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.150 0.150 18944 4404 1 14 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.949 -0.708 18944 4405 1 14 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.554 2.635 18944 4406 1 14 . 1 1 29 29 LYS H H 29 8.521 8.521 7.863 0.658 18944 4407 1 14 . 1 1 30 30 LYS N N 30 118.250 118.250 122.818 -4.568 18944 4408 1 14 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.125 -0.422 18944 4409 1 14 . 1 1 30 30 LYS CA C 30 55.817 55.817 58.144 -2.326 18944 4410 1 14 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.017 -0.563 18944 4411 1 14 . 1 1 30 30 LYS H H 30 7.830 7.830 8.572 -0.742 18944 4412 1 14 . 1 1 31 31 TYR N N 31 112.854 112.854 115.205 -2.351 18944 4413 1 14 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.816 -0.336 18944 4414 1 14 . 1 1 31 31 TYR CA C 31 56.372 56.372 55.691 0.680 18944 4415 1 14 . 1 1 31 31 TYR CB C 31 41.159 41.159 38.725 2.434 18944 4416 1 14 . 1 1 31 31 TYR H H 31 7.294 7.294 7.511 -0.217 18944 4417 1 14 . 1 1 32 32 LEU N N 32 122.615 122.615 125.850 -3.235 18944 4418 1 14 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.210 0.500 18944 4419 1 14 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.096 -1.194 18944 4420 1 14 . 1 1 32 32 LEU CB C 32 44.626 44.626 40.825 3.800 18944 4421 1 14 . 1 1 32 32 LEU H H 32 8.426 8.426 8.234 0.192 18944 4422 1 14 . 1 1 33 33 SER N N 33 119.224 119.224 117.645 1.579 18944 4423 1 14 . 1 1 33 33 SER HA H 33 4.583 4.583 4.403 0.180 18944 4424 1 14 . 1 1 33 33 SER CA C 33 56.483 56.483 58.074 -1.591 18944 4425 1 14 . 1 1 33 33 SER CB C 33 65.258 65.258 64.731 0.527 18944 4426 1 14 . 1 1 33 33 SER H H 33 9.322 9.322 8.179 1.143 18944 4427 1 14 . 1 1 34 34 LEU N N 34 121.601 121.601 121.493 0.108 18944 4428 1 14 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.103 -0.126 18944 4429 1 14 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.114 0.757 18944 4430 1 14 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.882 -0.519 18944 4431 1 14 . 1 1 34 34 LEU H H 34 8.808 8.808 8.603 0.205 18944 4432 1 14 . 1 1 35 35 THR N N 35 113.816 113.816 113.382 0.434 18944 4433 1 14 . 1 1 35 35 THR HA H 35 3.944 3.944 4.085 -0.141 18944 4434 1 14 . 1 1 35 35 THR CA C 35 65.721 65.721 66.164 -0.443 18944 4435 1 14 . 1 1 35 35 THR CB C 35 68.367 68.367 68.611 -0.244 18944 4436 1 14 . 1 1 35 35 THR H H 35 8.104 8.104 8.224 -0.120 18944 4437 1 14 . 1 1 36 36 GLU N N 36 123.125 123.125 120.061 3.064 18944 4438 1 14 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.045 -0.068 18944 4439 1 14 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.254 -0.376 18944 4440 1 14 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.871 1.536 18944 4441 1 14 . 1 1 36 36 GLU H H 36 7.691 7.691 8.445 -0.754 18944 4442 1 14 . 1 1 37 37 ARG N N 37 119.258 119.258 119.355 -0.097 18944 4443 1 14 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.911 -0.155 18944 4444 1 14 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.443 0.578 18944 4445 1 14 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.209 0.646 18944 4446 1 14 . 1 1 37 37 ARG H H 37 8.726 8.726 8.490 0.236 18944 4447 1 14 . 1 1 38 38 SER N N 38 113.573 113.573 113.390 0.183 18944 4448 1 14 . 1 1 38 38 SER HA H 38 4.073 4.073 3.823 0.250 18944 4449 1 14 . 1 1 38 38 SER CA C 38 61.865 61.865 61.778 0.087 18944 4450 1 14 . 1 1 38 38 SER CB C 38 62.685 62.685 62.461 0.224 18944 4451 1 14 . 1 1 38 38 SER H H 38 8.039 8.039 7.733 0.306 18944 4452 1 14 . 1 1 39 39 GLN N N 39 121.912 121.912 120.413 1.499 18944 4453 1 14 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.916 0.199 18944 4454 1 14 . 1 1 39 39 GLN CA C 39 59.085 59.085 58.974 0.111 18944 4455 1 14 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.654 -0.487 18944 4456 1 14 . 1 1 39 39 GLN H H 39 8.033 8.033 7.402 0.631 18944 4457 1 14 . 1 1 40 40 ILE N N 40 121.716 121.716 119.761 1.955 18944 4458 1 14 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.632 0.247 18944 4459 1 14 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.738 -0.377 18944 4460 1 14 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.468 0.662 18944 4461 1 14 . 1 1 40 40 ILE H H 40 8.205 8.205 7.541 0.664 18944 4462 1 14 . 1 1 41 41 ALA N N 41 122.005 122.005 122.610 -0.605 18944 4463 1 14 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.927 -0.264 18944 4464 1 14 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.185 0.762 18944 4465 1 14 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.176 -0.660 18944 4466 1 14 . 1 1 41 41 ALA H H 41 8.301 8.301 7.977 0.324 18944 4467 1 14 . 1 1 42 42 HIS N N 42 114.193 114.193 118.505 -4.312 18944 4468 1 14 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.276 0.118 18944 4469 1 14 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.255 0.394 18944 4470 1 14 . 1 1 42 42 HIS CB C 42 28.871 28.871 29.988 -1.117 18944 4471 1 14 . 1 1 42 42 HIS H H 42 8.091 8.091 8.282 -0.191 18944 4472 1 14 . 1 1 43 43 ALA N N 43 122.121 122.121 122.518 -0.397 18944 4473 1 14 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.134 -0.068 18944 4474 1 14 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.683 0.173 18944 4475 1 14 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.940 -0.623 18944 4476 1 14 . 1 1 43 43 ALA H H 43 8.167 8.167 8.271 -0.104 18944 4477 1 14 . 1 1 44 44 LEU N N 44 114.117 114.117 116.938 -2.821 18944 4478 1 14 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.476 -0.149 18944 4479 1 14 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.110 0.061 18944 4480 1 14 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.102 0.369 18944 4481 1 14 . 1 1 44 44 LEU H H 44 8.037 8.037 7.657 0.380 18944 4482 1 14 . 1 1 45 45 LYS N N 45 117.081 117.081 115.264 1.817 18944 4483 1 14 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.910 0.038 18944 4484 1 14 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.650 -0.436 18944 4485 1 14 . 1 1 45 45 LYS CB C 45 28.359 28.359 29.679 -1.320 18944 4486 1 14 . 1 1 45 45 LYS H H 45 7.806 7.806 7.793 0.013 18944 4487 1 14 . 1 1 46 46 LEU N N 46 119.781 119.781 119.085 0.696 18944 4488 1 14 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.463 0.316 18944 4489 1 14 . 1 1 46 46 LEU CA C 46 52.375 52.375 54.004 -1.629 18944 4490 1 14 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.359 4.071 18944 4491 1 14 . 1 1 46 46 LEU H H 46 8.393 8.393 8.212 0.181 18944 4492 1 14 . 1 1 47 47 SER N N 47 114.982 114.982 112.737 2.245 18944 4493 1 14 . 1 1 47 47 SER HA H 47 4.772 4.772 4.776 -0.004 18944 4494 1 14 . 1 1 47 47 SER CA C 47 56.659 56.659 56.869 -0.210 18944 4495 1 14 . 1 1 47 47 SER CB C 47 64.905 64.905 66.061 -1.157 18944 4496 1 14 . 1 1 47 47 SER H H 47 8.817 8.817 8.066 0.751 18944 4497 1 14 . 1 1 48 48 GLU N N 48 122.917 122.917 123.724 -0.807 18944 4498 1 14 . 1 1 48 48 GLU HA H 48 3.663 3.663 3.995 -0.332 18944 4499 1 14 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.265 0.877 18944 4500 1 14 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.436 -0.443 18944 4501 1 14 . 1 1 48 48 GLU H H 48 9.232 9.232 9.005 0.227 18944 4502 1 14 . 1 1 49 49 VAL N N 49 118.250 118.250 119.986 -1.736 18944 4503 1 14 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.713 0.057 18944 4504 1 14 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.548 -0.855 18944 4505 1 14 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.359 0.461 18944 4506 1 14 . 1 1 49 49 VAL H H 49 8.015 8.015 8.129 -0.114 18944 4507 1 14 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.256 -0.101 18944 4508 1 14 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.217 0.024 18944 4509 1 14 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.067 1.450 18944 4510 1 14 . 1 1 50 50 GLN H H 50 7.714 7.714 7.883 -0.169 18944 4511 1 14 . 1 1 51 51 VAL N N 51 119.155 119.155 120.136 -0.981 18944 4512 1 14 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.962 -0.269 18944 4513 1 14 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.452 0.952 18944 4514 1 14 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.324 0.869 18944 4515 1 14 . 1 1 51 51 VAL H H 51 7.705 7.705 8.401 -0.696 18944 4516 1 14 . 1 1 52 52 LYS N N 52 121.165 121.165 121.397 -0.232 18944 4517 1 14 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.064 0.209 18944 4518 1 14 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.132 -0.286 18944 4519 1 14 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.407 0.788 18944 4520 1 14 . 1 1 52 52 LYS H H 52 8.545 8.545 8.027 0.518 18944 4521 1 14 . 1 1 53 53 ILE N N 53 120.436 120.436 118.434 2.002 18944 4522 1 14 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.766 0.063 18944 4523 1 14 . 1 1 53 53 ILE CA C 53 64.231 64.231 64.899 -0.668 18944 4524 1 14 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.804 0.174 18944 4525 1 14 . 1 1 53 53 ILE H H 53 8.733 8.733 8.494 0.239 18944 4526 1 14 . 1 1 54 54 TRP N N 54 122.076 122.076 121.979 0.097 18944 4527 1 14 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.125 -0.111 18944 4528 1 14 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.909 1.493 18944 4529 1 14 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.638 -0.781 18944 4530 1 14 . 1 1 54 54 TRP H H 54 8.522 8.522 7.817 0.705 18944 4531 1 14 . 1 1 55 55 PHE N N 55 119.314 119.314 118.314 1.000 18944 4532 1 14 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.784 -0.066 18944 4533 1 14 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.744 0.629 18944 4534 1 14 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.834 0.491 18944 4535 1 14 . 1 1 55 55 PHE H H 55 9.087 9.087 9.105 -0.018 18944 4536 1 14 . 1 1 56 56 GLN N N 56 119.067 119.067 118.215 0.852 18944 4537 1 14 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.883 0.112 18944 4538 1 14 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.813 -0.335 18944 4539 1 14 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.219 0.309 18944 4540 1 14 . 1 1 56 56 GLN H H 56 8.148 8.148 8.868 -0.720 18944 4541 1 14 . 1 1 57 57 ASN N N 57 119.662 119.662 118.579 1.083 18944 4542 1 14 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.319 0.035 18944 4543 1 14 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.110 -0.793 18944 4544 1 14 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.105 -0.380 18944 4545 1 14 . 1 1 57 57 ASN H H 57 8.396 8.396 7.689 0.707 18944 4546 1 14 . 1 1 58 58 ARG N N 58 124.411 124.411 119.134 5.277 18944 4547 1 14 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.526 -0.018 18944 4548 1 14 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.473 -2.328 18944 4549 1 14 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.653 -0.696 18944 4550 1 14 . 1 1 58 58 ARG H H 58 8.454 8.454 7.655 0.799 18944 4551 1 14 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.402 -0.048 18944 4552 1 14 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.415 1.044 18944 4553 1 14 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.277 1.741 18944 4554 1 14 . 1 1 60 60 ALA N N 60 121.683 121.683 122.030 -0.347 18944 4555 1 14 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.031 0.164 18944 4556 1 14 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.289 -0.343 18944 4557 1 14 . 1 1 60 60 ALA CB C 60 17.671 17.671 17.977 -0.306 18944 4558 1 14 . 1 1 60 60 ALA H H 60 7.524 7.524 8.222 -0.698 18944 4559 1 14 . 1 1 61 61 LYS N N 61 118.243 118.243 118.169 0.074 18944 4560 1 14 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.996 0.030 18944 4561 1 14 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.288 -0.684 18944 4562 1 14 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.429 0.298 18944 4563 1 14 . 1 1 61 61 LYS H H 61 7.352 7.352 7.535 -0.183 18944 4564 1 14 . 1 1 62 62 TRP N N 62 121.102 121.102 120.528 0.574 18944 4565 1 14 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.386 0.257 18944 4566 1 14 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.237 -1.314 18944 4567 1 14 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.392 0.194 18944 4568 1 14 . 1 1 62 62 TRP H H 62 7.934 7.934 7.404 0.530 18944 4569 1 14 . 1 1 63 63 LYS N N 63 118.454 118.454 117.330 1.124 18944 4570 1 14 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.292 0.365 18944 4571 1 14 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.298 -1.590 18944 4572 1 14 . 1 1 63 63 LYS CB C 63 32.673 32.673 32.041 0.632 18944 4573 1 14 . 1 1 63 63 LYS H H 63 8.328 8.328 8.412 -0.084 18944 4574 1 14 . 1 1 64 64 ARG N N 64 119.371 119.371 116.524 2.847 18944 4575 1 14 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.194 -0.100 18944 4576 1 14 . 1 1 64 64 ARG CA C 64 57.575 57.575 58.252 -0.677 18944 4577 1 14 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.826 0.216 18944 4578 1 14 . 1 1 64 64 ARG H H 64 7.605 7.605 7.532 0.073 18944 4579 1 14 . 1 1 65 65 ILE N N 65 120.717 120.717 120.246 0.471 18944 4580 1 14 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.000 -0.006 18944 4581 1 14 . 1 1 65 65 ILE CA C 65 62.122 62.122 61.856 0.266 18944 4582 1 14 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.331 -1.131 18944 4583 1 14 . 1 1 65 65 ILE H H 65 7.933 7.933 7.667 0.266 18944 4584 1 14 . 1 1 66 66 LYS N N 66 123.684 123.684 120.740 2.944 18944 4585 1 14 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.090 0.050 18944 4586 1 14 . 1 1 66 66 LYS CA C 66 56.691 56.691 57.395 -0.704 18944 4587 1 14 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.482 0.874 18944 4588 1 14 . 1 1 66 66 LYS H H 66 8.180 8.180 7.692 0.488 18944 4589 1 14 . 1 1 67 67 ALA N N 67 123.678 123.678 129.701 -6.023 18944 4590 1 14 . 1 1 67 67 ALA HA H 67 4.274 4.274 3.896 0.378 18944 4591 1 14 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.780 -0.232 18944 4592 1 14 . 1 1 67 67 ALA CB C 67 19.080 19.080 17.751 1.329 18944 4593 1 14 . 1 1 67 67 ALA H H 67 7.959 7.959 8.835 -0.876 18944 4594 1 14 . 1 1 68 68 GLY N N 68 107.345 107.345 108.508 -1.163 18944 4595 1 14 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.078 0.196 18944 4596 1 14 . 1 1 68 68 GLY H H 68 8.157 8.157 8.285 -0.128 18944 4597 1 14 . 1 1 69 69 ASN N N 69 118.854 118.854 120.100 -1.246 18944 4598 1 14 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.753 0.004 18944 4599 1 14 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.647 0.419 18944 4600 1 14 . 1 1 69 69 ASN CB C 69 38.948 38.948 40.740 -1.792 18944 4601 1 14 . 1 1 69 69 ASN H H 69 8.230 8.230 8.372 -0.142 18944 4602 1 14 . 1 1 70 70 VAL N N 70 119.499 119.499 120.815 -1.316 18944 4603 1 14 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.381 -0.175 18944 4604 1 14 . 1 1 70 70 VAL CA C 70 62.062 62.062 62.235 -0.173 18944 4605 1 14 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.816 -0.011 18944 4606 1 14 . 1 1 70 70 VAL H H 70 8.109 8.109 8.316 -0.207 18944 4607 1 15 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.282 0.158 18944 4608 1 15 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.181 0.120 18944 4609 1 15 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.332 -0.462 18944 4610 1 15 . 1 1 4 4 GLY N N 4 109.613 109.613 109.959 -0.346 18944 4611 1 15 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.333 -0.089 18944 4612 1 15 . 1 1 4 4 GLY H H 4 8.536 8.536 8.534 0.002 18944 4613 1 15 . 1 1 5 5 GLY N N 5 108.797 108.797 107.665 1.132 18944 4614 1 15 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.559 0.693 18944 4615 1 15 . 1 1 5 5 GLY H H 5 8.298 8.298 7.890 0.408 18944 4616 1 15 . 1 1 6 6 LYS N N 6 120.988 120.988 119.241 1.747 18944 4617 1 15 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.686 -0.739 18944 4618 1 15 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.926 1.332 18944 4619 1 15 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.517 0.393 18944 4620 1 15 . 1 1 6 6 LYS H H 6 8.313 8.313 8.310 0.003 18944 4621 1 15 . 1 1 7 7 SER N N 7 116.912 116.912 119.116 -2.204 18944 4622 1 15 . 1 1 7 7 SER HA H 7 4.420 4.420 4.780 -0.360 18944 4623 1 15 . 1 1 7 7 SER CA C 7 58.338 58.338 57.492 0.846 18944 4624 1 15 . 1 1 7 7 SER CB C 7 63.540 63.540 66.007 -2.467 18944 4625 1 15 . 1 1 7 7 SER H H 7 8.345 8.345 8.265 0.080 18944 4626 1 15 . 1 1 8 8 ARG N N 8 123.496 123.496 118.929 4.567 18944 4627 1 15 . 1 1 8 8 ARG HA H 8 4.339 4.339 3.996 0.343 18944 4628 1 15 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.067 -1.029 18944 4629 1 15 . 1 1 8 8 ARG CB C 8 30.596 30.596 30.158 0.438 18944 4630 1 15 . 1 1 8 8 ARG H H 8 8.410 8.410 8.756 -0.346 18944 4631 1 15 . 1 1 9 9 ARG N N 9 122.569 122.569 118.381 4.188 18944 4632 1 15 . 1 1 9 9 ARG HA H 9 4.308 4.308 3.993 0.315 18944 4633 1 15 . 1 1 9 9 ARG CA C 9 55.979 55.979 56.454 -0.475 18944 4634 1 15 . 1 1 9 9 ARG CB C 9 30.700 30.700 30.564 0.136 18944 4635 1 15 . 1 1 9 9 ARG H H 9 8.340 8.340 8.489 -0.149 18944 4636 1 15 . 1 1 10 10 ARG N N 10 123.464 123.464 124.659 -1.195 18944 4637 1 15 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.178 0.150 18944 4638 1 15 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.523 -1.597 18944 4639 1 15 . 1 1 10 10 ARG CB C 10 30.821 30.821 29.868 0.953 18944 4640 1 15 . 1 1 10 10 ARG H H 10 8.457 8.457 8.815 -0.358 18944 4641 1 15 . 1 1 11 11 ARG N N 11 123.477 123.477 118.569 4.908 18944 4642 1 15 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.426 -0.037 18944 4643 1 15 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.296 0.673 18944 4644 1 15 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.501 -1.662 18944 4645 1 15 . 1 1 11 11 ARG H H 11 8.540 8.540 7.914 0.626 18944 4646 1 15 . 1 1 12 12 THR N N 12 116.338 116.338 117.578 -1.240 18944 4647 1 15 . 1 1 12 12 THR HA H 12 4.289 4.289 3.991 0.298 18944 4648 1 15 . 1 1 12 12 THR CA C 12 61.393 61.393 62.265 -0.872 18944 4649 1 15 . 1 1 12 12 THR CB C 12 69.660 69.660 68.607 1.053 18944 4650 1 15 . 1 1 12 12 THR H H 12 8.249 8.249 8.373 -0.124 18944 4651 1 15 . 1 1 13 13 ALA N N 13 127.182 127.182 128.972 -1.790 18944 4652 1 15 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.601 0.704 18944 4653 1 15 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.837 -1.812 18944 4654 1 15 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.067 1.587 18944 4655 1 15 . 1 1 13 13 ALA H H 13 8.275 8.275 8.492 -0.217 18944 4656 1 15 . 1 1 14 14 PHE N N 14 118.661 118.661 115.182 3.479 18944 4657 1 15 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.000 -0.037 18944 4658 1 15 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.803 0.455 18944 4659 1 15 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.611 -0.892 18944 4660 1 15 . 1 1 14 14 PHE H H 14 8.060 8.060 7.806 0.254 18944 4661 1 15 . 1 1 15 15 THR N N 15 113.672 113.672 108.063 5.609 18944 4662 1 15 . 1 1 15 15 THR HA H 15 4.522 4.522 5.011 -0.489 18944 4663 1 15 . 1 1 15 15 THR CA C 15 60.272 60.272 59.048 1.224 18944 4664 1 15 . 1 1 15 15 THR CB C 15 70.919 70.919 71.229 -0.310 18944 4665 1 15 . 1 1 15 15 THR H H 15 9.139 9.139 8.048 1.091 18944 4666 1 15 . 1 1 16 16 SER N N 16 116.722 116.722 116.702 0.020 18944 4667 1 15 . 1 1 16 16 SER HA H 16 3.934 3.934 4.137 -0.203 18944 4668 1 15 . 1 1 16 16 SER CA C 16 62.071 62.071 61.734 0.337 18944 4669 1 15 . 1 1 16 16 SER CB C 16 61.814 61.814 62.995 -1.181 18944 4670 1 15 . 1 1 16 16 SER H H 16 9.094 9.094 8.852 0.242 18944 4671 1 15 . 1 1 17 17 GLU N N 17 120.784 120.784 122.319 -1.535 18944 4672 1 15 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.067 -0.045 18944 4673 1 15 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.551 0.576 18944 4674 1 15 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.582 -0.474 18944 4675 1 15 . 1 1 17 17 GLU H H 17 8.673 8.673 7.790 0.883 18944 4676 1 15 . 1 1 18 18 GLN N N 18 118.707 118.707 118.419 0.288 18944 4677 1 15 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.038 -0.229 18944 4678 1 15 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.453 0.508 18944 4679 1 15 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.868 -0.888 18944 4680 1 15 . 1 1 18 18 GLN H H 18 7.748 7.748 7.765 -0.017 18944 4681 1 15 . 1 1 19 19 LEU N N 19 117.129 117.129 118.612 -1.483 18944 4682 1 15 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.917 -0.288 18944 4683 1 15 . 1 1 19 19 LEU CA C 19 57.795 57.795 57.103 0.692 18944 4684 1 15 . 1 1 19 19 LEU CB C 19 41.611 41.611 42.372 -0.761 18944 4685 1 15 . 1 1 19 19 LEU H H 19 8.109 8.109 8.216 -0.107 18944 4686 1 15 . 1 1 20 20 LEU N N 20 119.459 119.459 120.642 -1.183 18944 4687 1 15 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.996 0.006 18944 4688 1 15 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.932 0.071 18944 4689 1 15 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.954 0.004 18944 4690 1 15 . 1 1 20 20 LEU H H 20 7.948 7.948 7.393 0.555 18944 4691 1 15 . 1 1 21 21 GLU N N 21 118.593 118.593 116.625 1.968 18944 4692 1 15 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.143 -0.057 18944 4693 1 15 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.247 0.183 18944 4694 1 15 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.230 0.442 18944 4695 1 15 . 1 1 21 21 GLU H H 21 7.564 7.564 8.174 -0.610 18944 4696 1 15 . 1 1 22 22 LEU N N 22 122.405 122.405 119.899 2.506 18944 4697 1 15 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.989 -0.473 18944 4698 1 15 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.188 1.042 18944 4699 1 15 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.360 -3.364 18944 4700 1 15 . 1 1 22 22 LEU H H 22 8.148 8.148 7.165 0.983 18944 4701 1 15 . 1 1 23 23 GLU N N 23 118.202 118.202 118.541 -0.339 18944 4702 1 15 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.186 0.096 18944 4703 1 15 . 1 1 23 23 GLU CA C 23 58.816 58.816 59.028 -0.212 18944 4704 1 15 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.071 -0.117 18944 4705 1 15 . 1 1 23 23 GLU H H 23 7.853 7.853 7.848 0.005 18944 4706 1 15 . 1 1 24 24 LYS N N 24 120.955 120.955 120.498 0.457 18944 4707 1 15 . 1 1 24 24 LYS HA H 24 4.026 4.026 3.973 0.053 18944 4708 1 15 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.930 -0.076 18944 4709 1 15 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.237 0.053 18944 4710 1 15 . 1 1 24 24 LYS H H 24 7.828 7.828 7.362 0.466 18944 4711 1 15 . 1 1 25 25 GLU N N 25 120.791 120.791 119.162 1.629 18944 4712 1 15 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.186 0.073 18944 4713 1 15 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.144 -0.424 18944 4714 1 15 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.622 -1.047 18944 4715 1 15 . 1 1 25 25 GLU H H 25 8.153 8.153 7.885 0.268 18944 4716 1 15 . 1 1 26 26 PHE N N 26 115.094 115.094 120.866 -5.772 18944 4717 1 15 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.549 -0.057 18944 4718 1 15 . 1 1 26 26 PHE CA C 26 56.446 56.446 59.366 -2.920 18944 4719 1 15 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.907 2.915 18944 4720 1 15 . 1 1 26 26 PHE H H 26 7.404 7.404 7.752 -0.348 18944 4721 1 15 . 1 1 27 27 HIS N N 27 115.592 115.592 117.489 -1.897 18944 4722 1 15 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.307 -0.254 18944 4723 1 15 . 1 1 27 27 HIS CA C 27 58.490 58.490 58.973 -0.483 18944 4724 1 15 . 1 1 27 27 HIS CB C 27 28.830 28.830 29.875 -1.045 18944 4725 1 15 . 1 1 27 27 HIS H H 27 8.057 8.057 7.874 0.183 18944 4726 1 15 . 1 1 28 28 CYS N N 28 116.364 116.364 116.801 -0.437 18944 4727 1 15 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.548 -0.523 18944 4728 1 15 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.931 -1.308 18944 4729 1 15 . 1 1 28 28 CYS CB C 28 29.921 29.921 30.327 -0.406 18944 4730 1 15 . 1 1 28 28 CYS H H 28 7.972 7.972 7.965 0.007 18944 4731 1 15 . 1 1 29 29 LYS N N 29 122.054 122.054 121.347 0.707 18944 4732 1 15 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.216 0.084 18944 4733 1 15 . 1 1 29 29 LYS CA C 29 56.241 56.241 58.268 -2.027 18944 4734 1 15 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.985 2.204 18944 4735 1 15 . 1 1 29 29 LYS H H 29 8.521 8.521 8.258 0.263 18944 4736 1 15 . 1 1 30 30 LYS N N 30 118.250 118.250 117.468 0.782 18944 4737 1 15 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.510 -0.807 18944 4738 1 15 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.558 -0.741 18944 4739 1 15 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.854 -1.400 18944 4740 1 15 . 1 1 30 30 LYS H H 30 7.830 7.830 8.704 -0.874 18944 4741 1 15 . 1 1 31 31 TYR N N 31 112.854 112.854 119.680 -6.826 18944 4742 1 15 . 1 1 31 31 TYR HA H 31 4.480 4.480 5.051 -0.571 18944 4743 1 15 . 1 1 31 31 TYR CA C 31 56.372 56.372 57.237 -0.865 18944 4744 1 15 . 1 1 31 31 TYR CB C 31 41.159 41.159 41.084 0.075 18944 4745 1 15 . 1 1 31 31 TYR H H 31 7.294 7.294 7.813 -0.519 18944 4746 1 15 . 1 1 32 32 LEU N N 32 122.615 122.615 121.893 0.722 18944 4747 1 15 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.764 -0.054 18944 4748 1 15 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.528 -1.625 18944 4749 1 15 . 1 1 32 32 LEU CB C 32 44.626 44.626 44.656 -0.030 18944 4750 1 15 . 1 1 32 32 LEU H H 32 8.426 8.426 8.501 -0.075 18944 4751 1 15 . 1 1 33 33 SER N N 33 119.224 119.224 118.263 0.961 18944 4752 1 15 . 1 1 33 33 SER HA H 33 4.583 4.583 4.482 0.101 18944 4753 1 15 . 1 1 33 33 SER CA C 33 56.483 56.483 57.984 -1.501 18944 4754 1 15 . 1 1 33 33 SER CB C 33 65.258 65.258 64.754 0.504 18944 4755 1 15 . 1 1 33 33 SER H H 33 9.322 9.322 9.202 0.120 18944 4756 1 15 . 1 1 34 34 LEU N N 34 121.601 121.601 121.732 -0.131 18944 4757 1 15 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.115 -0.138 18944 4758 1 15 . 1 1 34 34 LEU CA C 34 58.871 58.871 57.981 0.890 18944 4759 1 15 . 1 1 34 34 LEU CB C 34 41.363 41.363 42.044 -0.681 18944 4760 1 15 . 1 1 34 34 LEU H H 34 8.808 8.808 8.719 0.089 18944 4761 1 15 . 1 1 35 35 THR N N 35 113.816 113.816 114.398 -0.582 18944 4762 1 15 . 1 1 35 35 THR HA H 35 3.944 3.944 4.006 -0.062 18944 4763 1 15 . 1 1 35 35 THR CA C 35 65.721 65.721 67.030 -1.309 18944 4764 1 15 . 1 1 35 35 THR CB C 35 68.367 68.367 68.490 -0.123 18944 4765 1 15 . 1 1 35 35 THR H H 35 8.104 8.104 8.114 -0.010 18944 4766 1 15 . 1 1 36 36 GLU N N 36 123.125 123.125 122.001 1.124 18944 4767 1 15 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.969 0.008 18944 4768 1 15 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.753 -0.875 18944 4769 1 15 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.410 0.997 18944 4770 1 15 . 1 1 36 36 GLU H H 36 7.691 7.691 8.566 -0.875 18944 4771 1 15 . 1 1 37 37 ARG N N 37 119.258 119.258 117.614 1.644 18944 4772 1 15 . 1 1 37 37 ARG HA H 37 3.756 3.756 4.031 -0.275 18944 4773 1 15 . 1 1 37 37 ARG CA C 37 60.021 60.021 58.854 1.167 18944 4774 1 15 . 1 1 37 37 ARG CB C 37 30.855 30.855 29.692 1.163 18944 4775 1 15 . 1 1 37 37 ARG H H 37 8.726 8.726 8.271 0.455 18944 4776 1 15 . 1 1 38 38 SER N N 38 113.573 113.573 117.188 -3.615 18944 4777 1 15 . 1 1 38 38 SER HA H 38 4.073 4.073 4.180 -0.107 18944 4778 1 15 . 1 1 38 38 SER CA C 38 61.865 61.865 61.794 0.071 18944 4779 1 15 . 1 1 38 38 SER CB C 38 62.685 62.685 63.083 -0.397 18944 4780 1 15 . 1 1 38 38 SER H H 38 8.039 8.039 7.891 0.148 18944 4781 1 15 . 1 1 39 39 GLN N N 39 121.912 121.912 120.911 1.001 18944 4782 1 15 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.924 0.191 18944 4783 1 15 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.017 0.068 18944 4784 1 15 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.826 -0.659 18944 4785 1 15 . 1 1 39 39 GLN H H 39 8.033 8.033 8.098 -0.065 18944 4786 1 15 . 1 1 40 40 ILE N N 40 121.716 121.716 119.907 1.809 18944 4787 1 15 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.665 0.214 18944 4788 1 15 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.695 -0.334 18944 4789 1 15 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.785 0.344 18944 4790 1 15 . 1 1 40 40 ILE H H 40 8.205 8.205 8.060 0.145 18944 4791 1 15 . 1 1 41 41 ALA N N 41 122.005 122.005 122.509 -0.504 18944 4792 1 15 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.916 -0.253 18944 4793 1 15 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.060 0.887 18944 4794 1 15 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.059 -0.543 18944 4795 1 15 . 1 1 41 41 ALA H H 41 8.301 8.301 7.932 0.369 18944 4796 1 15 . 1 1 42 42 HIS N N 42 114.193 114.193 116.540 -2.347 18944 4797 1 15 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.321 0.073 18944 4798 1 15 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.623 0.026 18944 4799 1 15 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.061 -1.190 18944 4800 1 15 . 1 1 42 42 HIS H H 42 8.091 8.091 8.553 -0.462 18944 4801 1 15 . 1 1 43 43 ALA N N 43 122.121 122.121 123.334 -1.213 18944 4802 1 15 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.158 -0.092 18944 4803 1 15 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.535 0.321 18944 4804 1 15 . 1 1 43 43 ALA CB C 43 18.317 18.317 19.197 -0.880 18944 4805 1 15 . 1 1 43 43 ALA H H 43 8.167 8.167 7.909 0.258 18944 4806 1 15 . 1 1 44 44 LEU N N 44 114.117 114.117 116.405 -2.288 18944 4807 1 15 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.310 0.017 18944 4808 1 15 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.609 -0.438 18944 4809 1 15 . 1 1 44 44 LEU CB C 44 42.472 42.472 41.028 1.444 18944 4810 1 15 . 1 1 44 44 LEU H H 44 8.037 8.037 7.711 0.326 18944 4811 1 15 . 1 1 45 45 LYS N N 45 117.081 117.081 117.069 0.012 18944 4812 1 15 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.867 0.081 18944 4813 1 15 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.817 0.397 18944 4814 1 15 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.086 -1.727 18944 4815 1 15 . 1 1 45 45 LYS H H 45 7.806 7.806 7.865 -0.059 18944 4816 1 15 . 1 1 46 46 LEU N N 46 119.781 119.781 118.500 1.281 18944 4817 1 15 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.396 0.383 18944 4818 1 15 . 1 1 46 46 LEU CA C 46 52.375 52.375 54.816 -2.441 18944 4819 1 15 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.388 4.042 18944 4820 1 15 . 1 1 46 46 LEU H H 46 8.393 8.393 7.938 0.455 18944 4821 1 15 . 1 1 47 47 SER N N 47 114.982 114.982 112.743 2.239 18944 4822 1 15 . 1 1 47 47 SER HA H 47 4.772 4.772 4.688 0.084 18944 4823 1 15 . 1 1 47 47 SER CA C 47 56.659 56.659 56.565 0.095 18944 4824 1 15 . 1 1 47 47 SER CB C 47 64.905 64.905 65.708 -0.803 18944 4825 1 15 . 1 1 47 47 SER H H 47 8.817 8.817 8.161 0.656 18944 4826 1 15 . 1 1 48 48 GLU N N 48 122.917 122.917 123.775 -0.858 18944 4827 1 15 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.015 -0.352 18944 4828 1 15 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.016 1.126 18944 4829 1 15 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.371 -0.378 18944 4830 1 15 . 1 1 48 48 GLU H H 48 9.232 9.232 9.030 0.202 18944 4831 1 15 . 1 1 49 49 VAL N N 49 118.250 118.250 119.199 -0.949 18944 4832 1 15 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.737 0.033 18944 4833 1 15 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.086 -0.393 18944 4834 1 15 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.448 0.372 18944 4835 1 15 . 1 1 49 49 VAL H H 49 8.015 8.015 8.173 -0.158 18944 4836 1 15 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.142 0.013 18944 4837 1 15 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.153 0.088 18944 4838 1 15 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.458 1.059 18944 4839 1 15 . 1 1 50 50 GLN H H 50 7.714 7.714 7.732 -0.018 18944 4840 1 15 . 1 1 51 51 VAL N N 51 119.155 119.155 119.841 -0.686 18944 4841 1 15 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.765 -0.072 18944 4842 1 15 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.451 0.953 18944 4843 1 15 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.104 1.089 18944 4844 1 15 . 1 1 51 51 VAL H H 51 7.705 7.705 8.056 -0.351 18944 4845 1 15 . 1 1 52 52 LYS N N 52 121.165 121.165 121.426 -0.261 18944 4846 1 15 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.031 0.242 18944 4847 1 15 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.281 -0.435 18944 4848 1 15 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.458 0.737 18944 4849 1 15 . 1 1 52 52 LYS H H 52 8.545 8.545 8.145 0.400 18944 4850 1 15 . 1 1 53 53 ILE N N 53 120.436 120.436 118.938 1.498 18944 4851 1 15 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.745 0.084 18944 4852 1 15 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.017 -0.786 18944 4853 1 15 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.790 0.188 18944 4854 1 15 . 1 1 53 53 ILE H H 53 8.733 8.733 8.495 0.238 18944 4855 1 15 . 1 1 54 54 TRP N N 54 122.076 122.076 121.680 0.396 18944 4856 1 15 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.136 -0.122 18944 4857 1 15 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.858 1.544 18944 4858 1 15 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.685 -0.828 18944 4859 1 15 . 1 1 54 54 TRP H H 54 8.522 8.522 7.855 0.667 18944 4860 1 15 . 1 1 55 55 PHE N N 55 119.314 119.314 117.754 1.560 18944 4861 1 15 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.011 -0.293 18944 4862 1 15 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.221 1.152 18944 4863 1 15 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.719 0.606 18944 4864 1 15 . 1 1 55 55 PHE H H 55 9.087 9.087 8.791 0.296 18944 4865 1 15 . 1 1 56 56 GLN N N 56 119.067 119.067 118.482 0.585 18944 4866 1 15 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.811 0.184 18944 4867 1 15 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.708 -0.230 18944 4868 1 15 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.316 0.212 18944 4869 1 15 . 1 1 56 56 GLN H H 56 8.148 8.148 8.519 -0.371 18944 4870 1 15 . 1 1 57 57 ASN N N 57 119.662 119.662 117.951 1.711 18944 4871 1 15 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.336 0.018 18944 4872 1 15 . 1 1 57 57 ASN CA C 57 55.317 55.317 56.192 -0.875 18944 4873 1 15 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.404 -0.680 18944 4874 1 15 . 1 1 57 57 ASN H H 57 8.396 8.396 8.134 0.262 18944 4875 1 15 . 1 1 58 58 ARG N N 58 124.411 124.411 120.064 4.347 18944 4876 1 15 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.606 -0.098 18944 4877 1 15 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.166 -2.021 18944 4878 1 15 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.921 -0.964 18944 4879 1 15 . 1 1 58 58 ARG H H 58 8.454 8.454 7.835 0.619 18944 4880 1 15 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.235 0.119 18944 4881 1 15 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.300 1.159 18944 4882 1 15 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.114 1.904 18944 4883 1 15 . 1 1 60 60 ALA N N 60 121.683 121.683 122.121 -0.438 18944 4884 1 15 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.204 -0.009 18944 4885 1 15 . 1 1 60 60 ALA CA C 60 54.946 54.946 54.753 0.193 18944 4886 1 15 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.205 -0.534 18944 4887 1 15 . 1 1 60 60 ALA H H 60 7.524 7.524 7.222 0.302 18944 4888 1 15 . 1 1 61 61 LYS N N 61 118.243 118.243 119.954 -1.711 18944 4889 1 15 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.985 0.041 18944 4890 1 15 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.109 -0.505 18944 4891 1 15 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.400 0.327 18944 4892 1 15 . 1 1 61 61 LYS H H 61 7.352 7.352 7.430 -0.078 18944 4893 1 15 . 1 1 62 62 TRP N N 62 121.102 121.102 121.367 -0.265 18944 4894 1 15 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.286 0.357 18944 4895 1 15 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.974 -2.051 18944 4896 1 15 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.363 0.223 18944 4897 1 15 . 1 1 62 62 TRP H H 62 7.934 7.934 8.247 -0.313 18944 4898 1 15 . 1 1 63 63 LYS N N 63 118.454 118.454 117.234 1.220 18944 4899 1 15 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.645 0.012 18944 4900 1 15 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.028 -1.320 18944 4901 1 15 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.862 0.811 18944 4902 1 15 . 1 1 63 63 LYS H H 63 8.328 8.328 7.877 0.451 18944 4903 1 15 . 1 1 64 64 ARG N N 64 119.371 119.371 116.235 3.136 18944 4904 1 15 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.215 -0.121 18944 4905 1 15 . 1 1 64 64 ARG CA C 64 57.575 57.575 56.833 0.742 18944 4906 1 15 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.237 -0.195 18944 4907 1 15 . 1 1 64 64 ARG H H 64 7.605 7.605 7.565 0.040 18944 4908 1 15 . 1 1 65 65 ILE N N 65 120.717 120.717 119.467 1.250 18944 4909 1 15 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.913 0.081 18944 4910 1 15 . 1 1 65 65 ILE CA C 65 62.122 62.122 64.329 -2.207 18944 4911 1 15 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.387 -0.187 18944 4912 1 15 . 1 1 65 65 ILE H H 65 7.933 7.933 7.745 0.188 18944 4913 1 15 . 1 1 66 66 LYS N N 66 123.684 123.684 118.969 4.715 18944 4914 1 15 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.001 0.139 18944 4915 1 15 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.030 -1.339 18944 4916 1 15 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.560 0.796 18944 4917 1 15 . 1 1 66 66 LYS H H 66 8.180 8.180 8.014 0.166 18944 4918 1 15 . 1 1 67 67 ALA N N 67 123.678 123.678 122.572 1.106 18944 4919 1 15 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.432 -0.158 18944 4920 1 15 . 1 1 67 67 ALA CA C 67 52.548 52.548 50.601 1.947 18944 4921 1 15 . 1 1 67 67 ALA CB C 67 19.080 19.080 17.254 1.826 18944 4922 1 15 . 1 1 67 67 ALA H H 67 7.959 7.959 7.491 0.468 18944 4923 1 15 . 1 1 68 68 GLY N N 68 107.345 107.345 113.047 -5.702 18944 4924 1 15 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.791 -0.517 18944 4925 1 15 . 1 1 68 68 GLY H H 68 8.157 8.157 7.966 0.191 18944 4926 1 15 . 1 1 69 69 ASN N N 69 118.854 118.854 118.751 0.103 18944 4927 1 15 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.763 -0.006 18944 4928 1 15 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.856 0.210 18944 4929 1 15 . 1 1 69 69 ASN CB C 69 38.948 38.948 40.500 -1.552 18944 4930 1 15 . 1 1 69 69 ASN H H 69 8.230 8.230 8.141 0.089 18944 4931 1 15 . 1 1 70 70 VAL N N 70 119.499 119.499 124.689 -5.190 18944 4932 1 15 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.947 0.259 18944 4933 1 15 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.340 -1.278 18944 4934 1 15 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.204 0.600 18944 4935 1 15 . 1 1 70 70 VAL H H 70 8.109 8.109 8.395 -0.286 18944 4936 1 16 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.415 0.025 18944 4937 1 16 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.960 0.341 18944 4938 1 16 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.435 -0.565 18944 4939 1 16 . 1 1 4 4 GLY N N 4 109.613 109.613 108.989 0.624 18944 4940 1 16 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.315 -0.071 18944 4941 1 16 . 1 1 4 4 GLY H H 4 8.536 8.536 8.287 0.249 18944 4942 1 16 . 1 1 5 5 GLY N N 5 108.797 108.797 108.160 0.637 18944 4943 1 16 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.307 -0.055 18944 4944 1 16 . 1 1 5 5 GLY H H 5 8.298 8.298 7.556 0.742 18944 4945 1 16 . 1 1 6 6 LYS N N 6 120.988 120.988 117.814 3.174 18944 4946 1 16 . 1 1 6 6 LYS HA H 6 3.947 3.947 3.942 0.005 18944 4947 1 16 . 1 1 6 6 LYS CA C 6 57.258 57.258 58.613 -1.355 18944 4948 1 16 . 1 1 6 6 LYS CB C 6 32.910 32.910 31.749 1.161 18944 4949 1 16 . 1 1 6 6 LYS H H 6 8.313 8.313 8.645 -0.332 18944 4950 1 16 . 1 1 7 7 SER N N 7 116.912 116.912 113.799 3.113 18944 4951 1 16 . 1 1 7 7 SER HA H 7 4.420 4.420 4.515 -0.095 18944 4952 1 16 . 1 1 7 7 SER CA C 7 58.338 58.338 58.414 -0.076 18944 4953 1 16 . 1 1 7 7 SER CB C 7 63.540 63.540 64.491 -0.951 18944 4954 1 16 . 1 1 7 7 SER H H 7 8.345 8.345 8.252 0.093 18944 4955 1 16 . 1 1 8 8 ARG N N 8 123.496 123.496 118.227 5.269 18944 4956 1 16 . 1 1 8 8 ARG HA H 8 4.339 4.339 3.981 0.358 18944 4957 1 16 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.614 -1.576 18944 4958 1 16 . 1 1 8 8 ARG CB C 8 30.596 30.596 29.080 1.516 18944 4959 1 16 . 1 1 8 8 ARG H H 8 8.410 8.410 7.784 0.626 18944 4960 1 16 . 1 1 9 9 ARG N N 9 122.569 122.569 121.565 1.004 18944 4961 1 16 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.398 -0.090 18944 4962 1 16 . 1 1 9 9 ARG CA C 9 55.979 55.979 56.072 -0.093 18944 4963 1 16 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.073 -1.373 18944 4964 1 16 . 1 1 9 9 ARG H H 9 8.340 8.340 8.189 0.151 18944 4965 1 16 . 1 1 10 10 ARG N N 10 123.464 123.464 119.938 3.526 18944 4966 1 16 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.096 0.232 18944 4967 1 16 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.502 -1.576 18944 4968 1 16 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.499 2.322 18944 4969 1 16 . 1 1 10 10 ARG H H 10 8.457 8.457 8.569 -0.112 18944 4970 1 16 . 1 1 11 11 ARG N N 11 123.477 123.477 118.339 5.138 18944 4971 1 16 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.533 -0.144 18944 4972 1 16 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.661 0.308 18944 4973 1 16 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.557 -0.718 18944 4974 1 16 . 1 1 11 11 ARG H H 11 8.540 8.540 8.680 -0.140 18944 4975 1 16 . 1 1 12 12 THR N N 12 116.338 116.338 112.889 3.449 18944 4976 1 16 . 1 1 12 12 THR HA H 12 4.289 4.289 4.603 -0.314 18944 4977 1 16 . 1 1 12 12 THR CA C 12 61.393 61.393 61.300 0.093 18944 4978 1 16 . 1 1 12 12 THR CB C 12 69.660 69.660 70.079 -0.419 18944 4979 1 16 . 1 1 12 12 THR H H 12 8.249 8.249 7.436 0.813 18944 4980 1 16 . 1 1 13 13 ALA N N 13 127.182 127.182 122.812 4.370 18944 4981 1 16 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.133 0.172 18944 4982 1 16 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.747 -1.723 18944 4983 1 16 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.099 0.555 18944 4984 1 16 . 1 1 13 13 ALA H H 13 8.275 8.275 8.447 -0.172 18944 4985 1 16 . 1 1 14 14 PHE N N 14 118.661 118.661 113.864 4.797 18944 4986 1 16 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.138 -0.175 18944 4987 1 16 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.587 0.671 18944 4988 1 16 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.736 -1.017 18944 4989 1 16 . 1 1 14 14 PHE H H 14 8.060 8.060 7.597 0.463 18944 4990 1 16 . 1 1 15 15 THR N N 15 113.672 113.672 113.810 -0.138 18944 4991 1 16 . 1 1 15 15 THR HA H 15 4.522 4.522 4.703 -0.181 18944 4992 1 16 . 1 1 15 15 THR CA C 15 60.272 60.272 60.301 -0.029 18944 4993 1 16 . 1 1 15 15 THR CB C 15 70.919 70.919 70.814 0.104 18944 4994 1 16 . 1 1 15 15 THR H H 15 9.139 9.139 8.750 0.389 18944 4995 1 16 . 1 1 16 16 SER N N 16 116.722 116.722 115.660 1.062 18944 4996 1 16 . 1 1 16 16 SER HA H 16 3.934 3.934 4.159 -0.225 18944 4997 1 16 . 1 1 16 16 SER CA C 16 62.071 62.071 61.825 0.246 18944 4998 1 16 . 1 1 16 16 SER CB C 16 61.814 61.814 63.114 -1.300 18944 4999 1 16 . 1 1 16 16 SER H H 16 9.094 9.094 8.681 0.413 18944 5000 1 16 . 1 1 17 17 GLU N N 17 120.784 120.784 122.687 -1.903 18944 5001 1 16 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.995 0.027 18944 5002 1 16 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.052 1.075 18944 5003 1 16 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.469 -0.361 18944 5004 1 16 . 1 1 17 17 GLU H H 17 8.673 8.673 7.787 0.886 18944 5005 1 16 . 1 1 18 18 GLN N N 18 118.707 118.707 119.193 -0.486 18944 5006 1 16 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.978 -0.169 18944 5007 1 16 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.907 0.054 18944 5008 1 16 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.851 -0.871 18944 5009 1 16 . 1 1 18 18 GLN H H 18 7.748 7.748 7.682 0.066 18944 5010 1 16 . 1 1 19 19 LEU N N 19 117.129 117.129 117.137 -0.008 18944 5011 1 16 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.743 -0.114 18944 5012 1 16 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.757 1.038 18944 5013 1 16 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.856 -0.245 18944 5014 1 16 . 1 1 19 19 LEU H H 19 8.109 8.109 7.993 0.116 18944 5015 1 16 . 1 1 20 20 LEU N N 20 119.459 119.459 118.476 0.983 18944 5016 1 16 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.284 -0.282 18944 5017 1 16 . 1 1 20 20 LEU CA C 20 58.003 58.003 56.631 1.372 18944 5018 1 16 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.755 -0.797 18944 5019 1 16 . 1 1 20 20 LEU H H 20 7.948 7.948 7.313 0.635 18944 5020 1 16 . 1 1 21 21 GLU N N 21 118.593 118.593 120.060 -1.467 18944 5021 1 16 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.082 0.004 18944 5022 1 16 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.152 -0.722 18944 5023 1 16 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.520 0.152 18944 5024 1 16 . 1 1 21 21 GLU H H 21 7.564 7.564 8.026 -0.462 18944 5025 1 16 . 1 1 22 22 LEU N N 22 122.405 122.405 118.819 3.586 18944 5026 1 16 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.938 -0.422 18944 5027 1 16 . 1 1 22 22 LEU CA C 22 58.229 58.229 58.143 0.086 18944 5028 1 16 . 1 1 22 22 LEU CB C 22 37.996 37.996 40.959 -2.963 18944 5029 1 16 . 1 1 22 22 LEU H H 22 8.148 8.148 7.679 0.469 18944 5030 1 16 . 1 1 23 23 GLU N N 23 118.202 118.202 116.515 1.687 18944 5031 1 16 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.303 -0.021 18944 5032 1 16 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.326 0.490 18944 5033 1 16 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.094 -0.140 18944 5034 1 16 . 1 1 23 23 GLU H H 23 7.853 7.853 8.185 -0.332 18944 5035 1 16 . 1 1 24 24 LYS N N 24 120.955 120.955 121.579 -0.624 18944 5036 1 16 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.076 -0.050 18944 5037 1 16 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.840 0.014 18944 5038 1 16 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.269 0.021 18944 5039 1 16 . 1 1 24 24 LYS H H 24 7.828 7.828 7.405 0.423 18944 5040 1 16 . 1 1 25 25 GLU N N 25 120.791 120.791 119.488 1.303 18944 5041 1 16 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.230 0.029 18944 5042 1 16 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.976 -0.256 18944 5043 1 16 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.508 -0.933 18944 5044 1 16 . 1 1 25 25 GLU H H 25 8.153 8.153 7.879 0.274 18944 5045 1 16 . 1 1 26 26 PHE N N 26 115.094 115.094 119.540 -4.446 18944 5046 1 16 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.814 -0.322 18944 5047 1 16 . 1 1 26 26 PHE CA C 26 56.446 56.446 59.730 -3.284 18944 5048 1 16 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.893 2.929 18944 5049 1 16 . 1 1 26 26 PHE H H 26 7.404 7.404 7.661 -0.257 18944 5050 1 16 . 1 1 27 27 HIS N N 27 115.592 115.592 117.756 -2.164 18944 5051 1 16 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.148 -0.095 18944 5052 1 16 . 1 1 27 27 HIS CA C 27 58.490 58.490 58.959 -0.469 18944 5053 1 16 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.109 -1.279 18944 5054 1 16 . 1 1 27 27 HIS H H 27 8.057 8.057 7.739 0.318 18944 5055 1 16 . 1 1 28 28 CYS N N 28 116.364 116.364 116.609 -0.245 18944 5056 1 16 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.332 -0.307 18944 5057 1 16 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.378 -0.755 18944 5058 1 16 . 1 1 28 28 CYS CB C 28 29.921 29.921 28.671 1.250 18944 5059 1 16 . 1 1 28 28 CYS H H 28 7.972 7.972 7.711 0.261 18944 5060 1 16 . 1 1 29 29 LYS N N 29 122.054 122.054 120.715 1.339 18944 5061 1 16 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.339 -0.039 18944 5062 1 16 . 1 1 29 29 LYS CA C 29 56.241 56.241 54.430 1.811 18944 5063 1 16 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.353 2.836 18944 5064 1 16 . 1 1 29 29 LYS H H 29 8.521 8.521 8.053 0.468 18944 5065 1 16 . 1 1 30 30 LYS N N 30 118.250 118.250 122.636 -4.386 18944 5066 1 16 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.767 -0.064 18944 5067 1 16 . 1 1 30 30 LYS CA C 30 55.817 55.817 58.396 -2.579 18944 5068 1 16 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.468 -0.014 18944 5069 1 16 . 1 1 30 30 LYS H H 30 7.830 7.830 8.638 -0.808 18944 5070 1 16 . 1 1 31 31 TYR N N 31 112.854 112.854 114.039 -1.185 18944 5071 1 16 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.764 -0.284 18944 5072 1 16 . 1 1 31 31 TYR CA C 31 56.372 56.372 55.909 0.463 18944 5073 1 16 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.813 1.346 18944 5074 1 16 . 1 1 31 31 TYR H H 31 7.294 7.294 7.071 0.223 18944 5075 1 16 . 1 1 32 32 LEU N N 32 122.615 122.615 124.582 -1.967 18944 5076 1 16 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.515 0.195 18944 5077 1 16 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.564 -0.662 18944 5078 1 16 . 1 1 32 32 LEU CB C 32 44.626 44.626 43.422 1.204 18944 5079 1 16 . 1 1 32 32 LEU H H 32 8.426 8.426 8.318 0.108 18944 5080 1 16 . 1 1 33 33 SER N N 33 119.224 119.224 117.908 1.316 18944 5081 1 16 . 1 1 33 33 SER HA H 33 4.583 4.583 4.414 0.169 18944 5082 1 16 . 1 1 33 33 SER CA C 33 56.483 56.483 58.520 -2.037 18944 5083 1 16 . 1 1 33 33 SER CB C 33 65.258 65.258 64.121 1.137 18944 5084 1 16 . 1 1 33 33 SER H H 33 9.322 9.322 8.670 0.652 18944 5085 1 16 . 1 1 34 34 LEU N N 34 121.601 121.601 123.037 -1.436 18944 5086 1 16 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.056 -0.079 18944 5087 1 16 . 1 1 34 34 LEU CA C 34 58.871 58.871 57.941 0.930 18944 5088 1 16 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.931 -0.568 18944 5089 1 16 . 1 1 34 34 LEU H H 34 8.808 8.808 8.581 0.227 18944 5090 1 16 . 1 1 35 35 THR N N 35 113.816 113.816 114.059 -0.243 18944 5091 1 16 . 1 1 35 35 THR HA H 35 3.944 3.944 4.014 -0.070 18944 5092 1 16 . 1 1 35 35 THR CA C 35 65.721 65.721 66.126 -0.405 18944 5093 1 16 . 1 1 35 35 THR CB C 35 68.367 68.367 68.588 -0.221 18944 5094 1 16 . 1 1 35 35 THR H H 35 8.104 8.104 8.263 -0.159 18944 5095 1 16 . 1 1 36 36 GLU N N 36 123.125 123.125 120.645 2.480 18944 5096 1 16 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.068 -0.091 18944 5097 1 16 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.633 -0.755 18944 5098 1 16 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.294 1.113 18944 5099 1 16 . 1 1 36 36 GLU H H 36 7.691 7.691 8.510 -0.819 18944 5100 1 16 . 1 1 37 37 ARG N N 37 119.258 119.258 119.170 0.088 18944 5101 1 16 . 1 1 37 37 ARG HA H 37 3.756 3.756 4.027 -0.271 18944 5102 1 16 . 1 1 37 37 ARG CA C 37 60.021 60.021 58.633 1.389 18944 5103 1 16 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.213 0.641 18944 5104 1 16 . 1 1 37 37 ARG H H 37 8.726 8.726 8.527 0.199 18944 5105 1 16 . 1 1 38 38 SER N N 38 113.573 113.573 114.710 -1.137 18944 5106 1 16 . 1 1 38 38 SER HA H 38 4.073 4.073 4.276 -0.203 18944 5107 1 16 . 1 1 38 38 SER CA C 38 61.865 61.865 61.140 0.725 18944 5108 1 16 . 1 1 38 38 SER CB C 38 62.685 62.685 63.147 -0.461 18944 5109 1 16 . 1 1 38 38 SER H H 38 8.039 8.039 7.869 0.170 18944 5110 1 16 . 1 1 39 39 GLN N N 39 121.912 121.912 120.905 1.007 18944 5111 1 16 . 1 1 39 39 GLN HA H 39 4.115 4.115 4.088 0.027 18944 5112 1 16 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.063 0.022 18944 5113 1 16 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.841 -0.674 18944 5114 1 16 . 1 1 39 39 GLN H H 39 8.033 8.033 7.898 0.135 18944 5115 1 16 . 1 1 40 40 ILE N N 40 121.716 121.716 119.229 2.487 18944 5116 1 16 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.667 0.212 18944 5117 1 16 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.279 -0.918 18944 5118 1 16 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.681 0.448 18944 5119 1 16 . 1 1 40 40 ILE H H 40 8.205 8.205 8.057 0.148 18944 5120 1 16 . 1 1 41 41 ALA N N 41 122.005 122.005 121.345 0.660 18944 5121 1 16 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.901 -0.238 18944 5122 1 16 . 1 1 41 41 ALA CA C 41 55.947 55.947 54.974 0.973 18944 5123 1 16 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.019 -0.503 18944 5124 1 16 . 1 1 41 41 ALA H H 41 8.301 8.301 8.079 0.222 18944 5125 1 16 . 1 1 42 42 HIS N N 42 114.193 114.193 116.909 -2.716 18944 5126 1 16 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.272 0.122 18944 5127 1 16 . 1 1 42 42 HIS CA C 42 58.649 58.649 59.887 -1.238 18944 5128 1 16 . 1 1 42 42 HIS CB C 42 28.871 28.871 29.767 -0.896 18944 5129 1 16 . 1 1 42 42 HIS H H 42 8.091 8.091 8.117 -0.026 18944 5130 1 16 . 1 1 43 43 ALA N N 43 122.121 122.121 122.309 -0.188 18944 5131 1 16 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.170 -0.104 18944 5132 1 16 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.480 0.376 18944 5133 1 16 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.900 -0.583 18944 5134 1 16 . 1 1 43 43 ALA H H 43 8.167 8.167 7.691 0.476 18944 5135 1 16 . 1 1 44 44 LEU N N 44 114.117 114.117 117.250 -3.133 18944 5136 1 16 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.373 -0.046 18944 5137 1 16 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.553 -0.382 18944 5138 1 16 . 1 1 44 44 LEU CB C 44 42.472 42.472 40.966 1.506 18944 5139 1 16 . 1 1 44 44 LEU H H 44 8.037 8.037 7.683 0.354 18944 5140 1 16 . 1 1 45 45 LYS N N 45 117.081 117.081 115.477 1.604 18944 5141 1 16 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.925 0.023 18944 5142 1 16 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.983 0.231 18944 5143 1 16 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.678 -2.319 18944 5144 1 16 . 1 1 45 45 LYS H H 45 7.806 7.806 7.501 0.305 18944 5145 1 16 . 1 1 46 46 LEU N N 46 119.781 119.781 119.059 0.722 18944 5146 1 16 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.470 0.309 18944 5147 1 16 . 1 1 46 46 LEU CA C 46 52.375 52.375 54.284 -1.909 18944 5148 1 16 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.883 3.547 18944 5149 1 16 . 1 1 46 46 LEU H H 46 8.393 8.393 8.054 0.339 18944 5150 1 16 . 1 1 47 47 SER N N 47 114.982 114.982 113.127 1.855 18944 5151 1 16 . 1 1 47 47 SER HA H 47 4.772 4.772 4.675 0.097 18944 5152 1 16 . 1 1 47 47 SER CA C 47 56.659 56.659 56.734 -0.075 18944 5153 1 16 . 1 1 47 47 SER CB C 47 64.905 64.905 65.757 -0.852 18944 5154 1 16 . 1 1 47 47 SER H H 47 8.817 8.817 8.136 0.681 18944 5155 1 16 . 1 1 48 48 GLU N N 48 122.917 122.917 121.639 1.278 18944 5156 1 16 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.190 -0.527 18944 5157 1 16 . 1 1 48 48 GLU CA C 48 61.142 61.142 59.524 1.618 18944 5158 1 16 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.668 -0.675 18944 5159 1 16 . 1 1 48 48 GLU H H 48 9.232 9.232 8.861 0.371 18944 5160 1 16 . 1 1 49 49 VAL N N 49 118.250 118.250 120.414 -2.164 18944 5161 1 16 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.760 0.010 18944 5162 1 16 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.493 -0.800 18944 5163 1 16 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.411 0.409 18944 5164 1 16 . 1 1 49 49 VAL H H 49 8.015 8.015 7.947 0.068 18944 5165 1 16 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.279 -0.124 18944 5166 1 16 . 1 1 50 50 GLN CA C 50 59.241 59.241 58.815 0.426 18944 5167 1 16 . 1 1 50 50 GLN CB C 50 29.517 29.517 27.834 1.683 18944 5168 1 16 . 1 1 50 50 GLN H H 50 7.714 7.714 7.813 -0.099 18944 5169 1 16 . 1 1 51 51 VAL N N 51 119.155 119.155 116.865 2.290 18944 5170 1 16 . 1 1 51 51 VAL HA H 51 3.693 3.693 4.233 -0.540 18944 5171 1 16 . 1 1 51 51 VAL CA C 51 67.404 67.404 64.502 2.902 18944 5172 1 16 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.960 1.233 18944 5173 1 16 . 1 1 51 51 VAL H H 51 7.705 7.705 8.125 -0.420 18944 5174 1 16 . 1 1 52 52 LYS N N 52 121.165 121.165 122.169 -1.004 18944 5175 1 16 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.210 0.063 18944 5176 1 16 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.416 0.430 18944 5177 1 16 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.777 0.418 18944 5178 1 16 . 1 1 52 52 LYS H H 52 8.545 8.545 7.365 1.180 18944 5179 1 16 . 1 1 53 53 ILE N N 53 120.436 120.436 119.868 0.568 18944 5180 1 16 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.712 0.117 18944 5181 1 16 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.260 -1.029 18944 5182 1 16 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.979 -0.001 18944 5183 1 16 . 1 1 53 53 ILE H H 53 8.733 8.733 8.519 0.214 18944 5184 1 16 . 1 1 54 54 TRP N N 54 122.076 122.076 120.716 1.360 18944 5185 1 16 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.159 -0.145 18944 5186 1 16 . 1 1 54 54 TRP CA C 54 63.402 63.402 62.138 1.264 18944 5187 1 16 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.391 -0.534 18944 5188 1 16 . 1 1 54 54 TRP H H 54 8.522 8.522 8.319 0.203 18944 5189 1 16 . 1 1 55 55 PHE N N 55 119.314 119.314 118.144 1.170 18944 5190 1 16 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.632 0.086 18944 5191 1 16 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.214 1.159 18944 5192 1 16 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.799 0.526 18944 5193 1 16 . 1 1 55 55 PHE H H 55 9.087 9.087 7.955 1.132 18944 5194 1 16 . 1 1 56 56 GLN N N 56 119.067 119.067 118.390 0.677 18944 5195 1 16 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.904 0.091 18944 5196 1 16 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.545 -0.067 18944 5197 1 16 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.200 0.328 18944 5198 1 16 . 1 1 56 56 GLN H H 56 8.148 8.148 8.789 -0.641 18944 5199 1 16 . 1 1 57 57 ASN N N 57 119.662 119.662 118.374 1.288 18944 5200 1 16 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.393 -0.039 18944 5201 1 16 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.906 -0.588 18944 5202 1 16 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.048 -0.323 18944 5203 1 16 . 1 1 57 57 ASN H H 57 8.396 8.396 7.746 0.650 18944 5204 1 16 . 1 1 58 58 ARG N N 58 124.411 124.411 120.061 4.350 18944 5205 1 16 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.550 -0.042 18944 5206 1 16 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.716 -2.571 18944 5207 1 16 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.826 -0.869 18944 5208 1 16 . 1 1 58 58 ARG H H 58 8.454 8.454 7.681 0.773 18944 5209 1 16 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.281 0.073 18944 5210 1 16 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.323 1.136 18944 5211 1 16 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.100 1.918 18944 5212 1 16 . 1 1 60 60 ALA N N 60 121.683 121.683 122.111 -0.428 18944 5213 1 16 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.075 0.120 18944 5214 1 16 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.217 -0.271 18944 5215 1 16 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.038 -0.367 18944 5216 1 16 . 1 1 60 60 ALA H H 60 7.524 7.524 8.072 -0.548 18944 5217 1 16 . 1 1 61 61 LYS N N 61 118.243 118.243 118.649 -0.406 18944 5218 1 16 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.998 0.028 18944 5219 1 16 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.105 -0.501 18944 5220 1 16 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.435 0.292 18944 5221 1 16 . 1 1 61 61 LYS H H 61 7.352 7.352 7.513 -0.161 18944 5222 1 16 . 1 1 62 62 TRP N N 62 121.102 121.102 121.781 -0.679 18944 5223 1 16 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.290 0.353 18944 5224 1 16 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.075 -2.152 18944 5225 1 16 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.506 0.080 18944 5226 1 16 . 1 1 62 62 TRP H H 62 7.934 7.934 8.246 -0.312 18944 5227 1 16 . 1 1 63 63 LYS N N 63 118.454 118.454 117.751 0.703 18944 5228 1 16 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.577 0.080 18944 5229 1 16 . 1 1 63 63 LYS CA C 63 57.708 57.708 58.874 -1.167 18944 5230 1 16 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.621 1.052 18944 5231 1 16 . 1 1 63 63 LYS H H 63 8.328 8.328 8.210 0.118 18944 5232 1 16 . 1 1 64 64 ARG N N 64 119.371 119.371 116.238 3.133 18944 5233 1 16 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.091 0.003 18944 5234 1 16 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.421 0.154 18944 5235 1 16 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.128 -0.086 18944 5236 1 16 . 1 1 64 64 ARG H H 64 7.605 7.605 7.559 0.046 18944 5237 1 16 . 1 1 65 65 ILE N N 65 120.717 120.717 119.007 1.710 18944 5238 1 16 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.919 0.075 18944 5239 1 16 . 1 1 65 65 ILE CA C 65 62.122 62.122 62.534 -0.412 18944 5240 1 16 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.651 -0.451 18944 5241 1 16 . 1 1 65 65 ILE H H 65 7.933 7.933 7.271 0.662 18944 5242 1 16 . 1 1 66 66 LYS N N 66 123.684 123.684 120.258 3.426 18944 5243 1 16 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.981 0.159 18944 5244 1 16 . 1 1 66 66 LYS CA C 66 56.691 56.691 57.381 -0.690 18944 5245 1 16 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.380 0.976 18944 5246 1 16 . 1 1 66 66 LYS H H 66 8.180 8.180 7.694 0.486 18944 5247 1 16 . 1 1 67 67 ALA N N 67 123.678 123.678 130.052 -6.374 18944 5248 1 16 . 1 1 67 67 ALA HA H 67 4.274 4.274 3.881 0.393 18944 5249 1 16 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.952 -0.404 18944 5250 1 16 . 1 1 67 67 ALA CB C 67 19.080 19.080 17.617 1.463 18944 5251 1 16 . 1 1 67 67 ALA H H 67 7.959 7.959 8.807 -0.848 18944 5252 1 16 . 1 1 68 68 GLY N N 68 107.345 107.345 108.709 -1.364 18944 5253 1 16 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.448 0.826 18944 5254 1 16 . 1 1 68 68 GLY H H 68 8.157 8.157 8.330 -0.173 18944 5255 1 16 . 1 1 69 69 ASN N N 69 118.854 118.854 122.740 -3.886 18944 5256 1 16 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.320 0.437 18944 5257 1 16 . 1 1 69 69 ASN CA C 69 53.066 53.066 54.328 -1.262 18944 5258 1 16 . 1 1 69 69 ASN CB C 69 38.948 38.948 38.430 0.518 18944 5259 1 16 . 1 1 69 69 ASN H H 69 8.230 8.230 8.852 -0.622 18944 5260 1 16 . 1 1 70 70 VAL N N 70 119.499 119.499 116.563 2.936 18944 5261 1 16 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.785 0.421 18944 5262 1 16 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.453 -1.391 18944 5263 1 16 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.025 1.779 18944 5264 1 16 . 1 1 70 70 VAL H H 70 8.109 8.109 8.155 -0.046 18944 5265 1 17 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.627 -0.187 18944 5266 1 17 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.641 0.660 18944 5267 1 17 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.472 -0.602 18944 5268 1 17 . 1 1 4 4 GLY N N 4 109.613 109.613 105.087 4.526 18944 5269 1 17 . 1 1 4 4 GLY CA C 4 45.244 45.244 45.312 -0.069 18944 5270 1 17 . 1 1 4 4 GLY H H 4 8.536 8.536 8.280 0.256 18944 5271 1 17 . 1 1 5 5 GLY N N 5 108.797 108.797 109.898 -1.101 18944 5272 1 17 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.059 0.192 18944 5273 1 17 . 1 1 5 5 GLY H H 5 8.298 8.298 8.188 0.110 18944 5274 1 17 . 1 1 6 6 LYS N N 6 120.988 120.988 124.069 -3.081 18944 5275 1 17 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.424 -0.477 18944 5276 1 17 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.629 1.629 18944 5277 1 17 . 1 1 6 6 LYS CB C 6 32.910 32.910 34.629 -1.718 18944 5278 1 17 . 1 1 6 6 LYS H H 6 8.313 8.313 7.916 0.397 18944 5279 1 17 . 1 1 7 7 SER N N 7 116.912 116.912 119.267 -2.355 18944 5280 1 17 . 1 1 7 7 SER HA H 7 4.420 4.420 4.500 -0.080 18944 5281 1 17 . 1 1 7 7 SER CA C 7 58.338 58.338 59.000 -0.662 18944 5282 1 17 . 1 1 7 7 SER CB C 7 63.540 63.540 63.434 0.106 18944 5283 1 17 . 1 1 7 7 SER H H 7 8.345 8.345 8.638 -0.293 18944 5284 1 17 . 1 1 8 8 ARG N N 8 123.496 123.496 122.108 1.388 18944 5285 1 17 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.491 -0.152 18944 5286 1 17 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.186 -0.148 18944 5287 1 17 . 1 1 8 8 ARG CB C 8 30.596 30.596 32.665 -2.069 18944 5288 1 17 . 1 1 8 8 ARG H H 8 8.410 8.410 8.398 0.012 18944 5289 1 17 . 1 1 9 9 ARG N N 9 122.569 122.569 118.140 4.429 18944 5290 1 17 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.864 -0.556 18944 5291 1 17 . 1 1 9 9 ARG CA C 9 55.979 55.979 54.621 1.357 18944 5292 1 17 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.708 -2.008 18944 5293 1 17 . 1 1 9 9 ARG H H 9 8.340 8.340 8.608 -0.268 18944 5294 1 17 . 1 1 10 10 ARG N N 10 123.464 123.464 122.680 0.784 18944 5295 1 17 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.113 0.215 18944 5296 1 17 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.431 -1.505 18944 5297 1 17 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.647 2.174 18944 5298 1 17 . 1 1 10 10 ARG H H 10 8.457 8.457 8.678 -0.221 18944 5299 1 17 . 1 1 11 11 ARG N N 11 123.477 123.477 123.586 -0.109 18944 5300 1 17 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.433 -0.044 18944 5301 1 17 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.174 -0.205 18944 5302 1 17 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.684 -0.845 18944 5303 1 17 . 1 1 11 11 ARG H H 11 8.540 8.540 8.647 -0.107 18944 5304 1 17 . 1 1 12 12 THR N N 12 116.338 116.338 114.669 1.669 18944 5305 1 17 . 1 1 12 12 THR HA H 12 4.289 4.289 4.710 -0.421 18944 5306 1 17 . 1 1 12 12 THR CA C 12 61.393 61.393 60.766 0.627 18944 5307 1 17 . 1 1 12 12 THR CB C 12 69.660 69.660 70.361 -0.701 18944 5308 1 17 . 1 1 12 12 THR H H 12 8.249 8.249 7.613 0.636 18944 5309 1 17 . 1 1 13 13 ALA N N 13 127.182 127.182 123.424 3.758 18944 5310 1 17 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.031 0.274 18944 5311 1 17 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.806 -1.782 18944 5312 1 17 . 1 1 13 13 ALA CB C 13 19.654 19.654 19.232 0.422 18944 5313 1 17 . 1 1 13 13 ALA H H 13 8.275 8.275 8.430 -0.155 18944 5314 1 17 . 1 1 14 14 PHE N N 14 118.661 118.661 112.456 6.205 18944 5315 1 17 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.059 -0.096 18944 5316 1 17 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.126 1.132 18944 5317 1 17 . 1 1 14 14 PHE CB C 14 40.719 40.719 42.108 -1.389 18944 5318 1 17 . 1 1 14 14 PHE H H 14 8.060 8.060 7.550 0.510 18944 5319 1 17 . 1 1 15 15 THR N N 15 113.672 113.672 110.397 3.275 18944 5320 1 17 . 1 1 15 15 THR HA H 15 4.522 4.522 4.815 -0.293 18944 5321 1 17 . 1 1 15 15 THR CA C 15 60.272 60.272 59.385 0.887 18944 5322 1 17 . 1 1 15 15 THR CB C 15 70.919 70.919 71.279 -0.360 18944 5323 1 17 . 1 1 15 15 THR H H 15 9.139 9.139 8.253 0.886 18944 5324 1 17 . 1 1 16 16 SER N N 16 116.722 116.722 114.282 2.440 18944 5325 1 17 . 1 1 16 16 SER HA H 16 3.934 3.934 4.313 -0.379 18944 5326 1 17 . 1 1 16 16 SER CA C 16 62.071 62.071 61.359 0.712 18944 5327 1 17 . 1 1 16 16 SER CB C 16 61.814 61.814 63.426 -1.612 18944 5328 1 17 . 1 1 16 16 SER H H 16 9.094 9.094 8.504 0.590 18944 5329 1 17 . 1 1 17 17 GLU N N 17 120.784 120.784 122.087 -1.303 18944 5330 1 17 . 1 1 17 17 GLU HA H 17 4.022 4.022 3.977 0.045 18944 5331 1 17 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.609 0.518 18944 5332 1 17 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.443 -0.335 18944 5333 1 17 . 1 1 17 17 GLU H H 17 8.673 8.673 8.015 0.658 18944 5334 1 17 . 1 1 18 18 GLN N N 18 118.707 118.707 114.892 3.815 18944 5335 1 17 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.312 -0.503 18944 5336 1 17 . 1 1 18 18 GLN CA C 18 58.961 58.961 56.557 2.404 18944 5337 1 17 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.742 -0.762 18944 5338 1 17 . 1 1 18 18 GLN H H 18 7.748 7.748 7.850 -0.102 18944 5339 1 17 . 1 1 19 19 LEU N N 19 117.129 117.129 116.625 0.504 18944 5340 1 17 . 1 1 19 19 LEU HA H 19 3.629 3.629 4.133 -0.504 18944 5341 1 17 . 1 1 19 19 LEU CA C 19 57.795 57.795 54.565 3.230 18944 5342 1 17 . 1 1 19 19 LEU CB C 19 41.611 41.611 43.175 -1.564 18944 5343 1 17 . 1 1 19 19 LEU H H 19 8.109 8.109 7.319 0.790 18944 5344 1 17 . 1 1 20 20 LEU N N 20 119.459 119.459 122.004 -2.545 18944 5345 1 17 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.261 -0.259 18944 5346 1 17 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.590 0.413 18944 5347 1 17 . 1 1 20 20 LEU CB C 20 41.958 41.958 43.212 -1.254 18944 5348 1 17 . 1 1 20 20 LEU H H 20 7.948 7.948 8.156 -0.208 18944 5349 1 17 . 1 1 21 21 GLU N N 21 118.593 118.593 119.542 -0.949 18944 5350 1 17 . 1 1 21 21 GLU HA H 21 4.086 4.086 3.974 0.112 18944 5351 1 17 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.284 -0.854 18944 5352 1 17 . 1 1 21 21 GLU CB C 21 29.672 29.672 28.881 0.791 18944 5353 1 17 . 1 1 21 21 GLU H H 21 7.564 7.564 8.348 -0.784 18944 5354 1 17 . 1 1 22 22 LEU N N 22 122.405 122.405 120.330 2.075 18944 5355 1 17 . 1 1 22 22 LEU HA H 22 3.516 3.516 4.013 -0.497 18944 5356 1 17 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.774 0.455 18944 5357 1 17 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.202 -3.206 18944 5358 1 17 . 1 1 22 22 LEU H H 22 8.148 8.148 7.942 0.206 18944 5359 1 17 . 1 1 23 23 GLU N N 23 118.202 118.202 118.529 -0.327 18944 5360 1 17 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.242 0.040 18944 5361 1 17 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.842 -0.026 18944 5362 1 17 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.102 -0.148 18944 5363 1 17 . 1 1 23 23 GLU H H 23 7.853 7.853 7.709 0.144 18944 5364 1 17 . 1 1 24 24 LYS N N 24 120.955 120.955 120.360 0.595 18944 5365 1 17 . 1 1 24 24 LYS HA H 24 4.026 4.026 3.978 0.048 18944 5366 1 17 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.889 -0.035 18944 5367 1 17 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.289 0.000 18944 5368 1 17 . 1 1 24 24 LYS H H 24 7.828 7.828 7.609 0.219 18944 5369 1 17 . 1 1 25 25 GLU N N 25 120.791 120.791 119.372 1.419 18944 5370 1 17 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.173 0.086 18944 5371 1 17 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.221 -0.501 18944 5372 1 17 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.686 -1.111 18944 5373 1 17 . 1 1 25 25 GLU H H 25 8.153 8.153 7.722 0.431 18944 5374 1 17 . 1 1 26 26 PHE N N 26 115.094 115.094 119.485 -4.391 18944 5375 1 17 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.455 0.037 18944 5376 1 17 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.655 -2.209 18944 5377 1 17 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.656 3.166 18944 5378 1 17 . 1 1 26 26 PHE H H 26 7.404 7.404 7.790 -0.386 18944 5379 1 17 . 1 1 27 27 HIS N N 27 115.592 115.592 118.755 -3.163 18944 5380 1 17 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.151 -0.098 18944 5381 1 17 . 1 1 27 27 HIS CA C 27 58.490 58.490 60.575 -2.085 18944 5382 1 17 . 1 1 27 27 HIS CB C 27 28.830 28.830 29.930 -1.100 18944 5383 1 17 . 1 1 27 27 HIS H H 27 8.057 8.057 8.041 0.016 18944 5384 1 17 . 1 1 28 28 CYS N N 28 116.364 116.364 116.411 -0.047 18944 5385 1 17 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.429 -0.404 18944 5386 1 17 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.314 -0.691 18944 5387 1 17 . 1 1 28 28 CYS CB C 28 29.921 29.921 30.341 -0.420 18944 5388 1 17 . 1 1 28 28 CYS H H 28 7.972 7.972 7.701 0.271 18944 5389 1 17 . 1 1 29 29 LYS N N 29 122.054 122.054 121.525 0.529 18944 5390 1 17 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.411 -0.111 18944 5391 1 17 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.098 1.143 18944 5392 1 17 . 1 1 29 29 LYS CB C 29 35.189 35.189 30.562 4.627 18944 5393 1 17 . 1 1 29 29 LYS H H 29 8.521 8.521 8.203 0.318 18944 5394 1 17 . 1 1 30 30 LYS N N 30 118.250 118.250 121.228 -2.978 18944 5395 1 17 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.734 -0.031 18944 5396 1 17 . 1 1 30 30 LYS CA C 30 55.817 55.817 57.739 -1.922 18944 5397 1 17 . 1 1 30 30 LYS CB C 30 32.454 32.454 32.463 -0.009 18944 5398 1 17 . 1 1 30 30 LYS H H 30 7.830 7.830 7.901 -0.071 18944 5399 1 17 . 1 1 31 31 TYR N N 31 112.854 112.854 117.152 -4.298 18944 5400 1 17 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.746 -0.266 18944 5401 1 17 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.997 -0.625 18944 5402 1 17 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.002 2.157 18944 5403 1 17 . 1 1 31 31 TYR H H 31 7.294 7.294 7.873 -0.579 18944 5404 1 17 . 1 1 32 32 LEU N N 32 122.615 122.615 125.594 -2.979 18944 5405 1 17 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.411 0.299 18944 5406 1 17 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.682 -1.780 18944 5407 1 17 . 1 1 32 32 LEU CB C 32 44.626 44.626 42.175 2.451 18944 5408 1 17 . 1 1 32 32 LEU H H 32 8.426 8.426 8.352 0.074 18944 5409 1 17 . 1 1 33 33 SER N N 33 119.224 119.224 118.095 1.129 18944 5410 1 17 . 1 1 33 33 SER HA H 33 4.583 4.583 4.444 0.139 18944 5411 1 17 . 1 1 33 33 SER CA C 33 56.483 56.483 57.414 -0.931 18944 5412 1 17 . 1 1 33 33 SER CB C 33 65.258 65.258 65.314 -0.056 18944 5413 1 17 . 1 1 33 33 SER H H 33 9.322 9.322 8.771 0.551 18944 5414 1 17 . 1 1 34 34 LEU N N 34 121.601 121.601 122.421 -0.820 18944 5415 1 17 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.121 -0.144 18944 5416 1 17 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.144 0.727 18944 5417 1 17 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.859 -0.496 18944 5418 1 17 . 1 1 34 34 LEU H H 34 8.808 8.808 8.694 0.114 18944 5419 1 17 . 1 1 35 35 THR N N 35 113.816 113.816 114.972 -1.156 18944 5420 1 17 . 1 1 35 35 THR HA H 35 3.944 3.944 3.941 0.003 18944 5421 1 17 . 1 1 35 35 THR CA C 35 65.721 65.721 66.519 -0.798 18944 5422 1 17 . 1 1 35 35 THR CB C 35 68.367 68.367 68.174 0.193 18944 5423 1 17 . 1 1 35 35 THR H H 35 8.104 8.104 7.932 0.172 18944 5424 1 17 . 1 1 36 36 GLU N N 36 123.125 123.125 122.381 0.744 18944 5425 1 17 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.002 -0.025 18944 5426 1 17 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.629 -0.751 18944 5427 1 17 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.309 1.098 18944 5428 1 17 . 1 1 36 36 GLU H H 36 7.691 7.691 8.184 -0.493 18944 5429 1 17 . 1 1 37 37 ARG N N 37 119.258 119.258 120.016 -0.758 18944 5430 1 17 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.937 -0.181 18944 5431 1 17 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.291 0.730 18944 5432 1 17 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.118 0.737 18944 5433 1 17 . 1 1 37 37 ARG H H 37 8.726 8.726 8.283 0.443 18944 5434 1 17 . 1 1 38 38 SER N N 38 113.573 113.573 115.451 -1.878 18944 5435 1 17 . 1 1 38 38 SER HA H 38 4.073 4.073 4.182 -0.109 18944 5436 1 17 . 1 1 38 38 SER CA C 38 61.865 61.865 62.351 -0.486 18944 5437 1 17 . 1 1 38 38 SER CB C 38 62.685 62.685 62.978 -0.293 18944 5438 1 17 . 1 1 38 38 SER H H 38 8.039 8.039 8.263 -0.224 18944 5439 1 17 . 1 1 39 39 GLN N N 39 121.912 121.912 120.873 1.039 18944 5440 1 17 . 1 1 39 39 GLN HA H 39 4.115 4.115 4.028 0.087 18944 5441 1 17 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.302 -0.217 18944 5442 1 17 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.793 -0.626 18944 5443 1 17 . 1 1 39 39 GLN H H 39 8.033 8.033 8.030 0.003 18944 5444 1 17 . 1 1 40 40 ILE N N 40 121.716 121.716 120.469 1.247 18944 5445 1 17 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.596 0.283 18944 5446 1 17 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.358 -0.996 18944 5447 1 17 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.665 0.464 18944 5448 1 17 . 1 1 40 40 ILE H H 40 8.205 8.205 8.746 -0.541 18944 5449 1 17 . 1 1 41 41 ALA N N 41 122.005 122.005 121.741 0.264 18944 5450 1 17 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.901 -0.238 18944 5451 1 17 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.238 0.709 18944 5452 1 17 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.124 -0.608 18944 5453 1 17 . 1 1 41 41 ALA H H 41 8.301 8.301 7.984 0.317 18944 5454 1 17 . 1 1 42 42 HIS N N 42 114.193 114.193 118.513 -4.320 18944 5455 1 17 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.221 0.173 18944 5456 1 17 . 1 1 42 42 HIS CA C 42 58.649 58.649 60.049 -1.400 18944 5457 1 17 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.012 -1.141 18944 5458 1 17 . 1 1 42 42 HIS H H 42 8.091 8.091 8.568 -0.477 18944 5459 1 17 . 1 1 43 43 ALA N N 43 122.121 122.121 123.027 -0.906 18944 5460 1 17 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.128 -0.062 18944 5461 1 17 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.812 0.044 18944 5462 1 17 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.738 -0.421 18944 5463 1 17 . 1 1 43 43 ALA H H 43 8.167 8.167 8.412 -0.245 18944 5464 1 17 . 1 1 44 44 LEU N N 44 114.117 114.117 115.208 -1.091 18944 5465 1 17 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.209 0.118 18944 5466 1 17 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.719 -0.548 18944 5467 1 17 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.154 0.318 18944 5468 1 17 . 1 1 44 44 LEU H H 44 8.037 8.037 7.891 0.146 18944 5469 1 17 . 1 1 45 45 LYS N N 45 117.081 117.081 117.582 -0.501 18944 5470 1 17 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.861 0.087 18944 5471 1 17 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.755 0.459 18944 5472 1 17 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.207 -1.848 18944 5473 1 17 . 1 1 45 45 LYS H H 45 7.806 7.806 7.492 0.314 18944 5474 1 17 . 1 1 46 46 LEU N N 46 119.781 119.781 117.951 1.830 18944 5475 1 17 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.449 0.330 18944 5476 1 17 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.344 -0.969 18944 5477 1 17 . 1 1 46 46 LEU CB C 46 47.430 47.430 44.307 3.123 18944 5478 1 17 . 1 1 46 46 LEU H H 46 8.393 8.393 7.894 0.499 18944 5479 1 17 . 1 1 47 47 SER N N 47 114.982 114.982 113.297 1.685 18944 5480 1 17 . 1 1 47 47 SER HA H 47 4.772 4.772 4.672 0.100 18944 5481 1 17 . 1 1 47 47 SER CA C 47 56.659 56.659 56.879 -0.220 18944 5482 1 17 . 1 1 47 47 SER CB C 47 64.905 64.905 65.576 -0.671 18944 5483 1 17 . 1 1 47 47 SER H H 47 8.817 8.817 8.219 0.598 18944 5484 1 17 . 1 1 48 48 GLU N N 48 122.917 122.917 122.682 0.235 18944 5485 1 17 . 1 1 48 48 GLU HA H 48 3.663 3.663 3.990 -0.327 18944 5486 1 17 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.312 0.830 18944 5487 1 17 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.499 -0.506 18944 5488 1 17 . 1 1 48 48 GLU H H 48 9.232 9.232 8.963 0.269 18944 5489 1 17 . 1 1 49 49 VAL N N 49 118.250 118.250 119.033 -0.783 18944 5490 1 17 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.725 0.045 18944 5491 1 17 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.081 -0.388 18944 5492 1 17 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.457 0.363 18944 5493 1 17 . 1 1 49 49 VAL H H 49 8.015 8.015 8.189 -0.174 18944 5494 1 17 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.181 -0.026 18944 5495 1 17 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.066 0.175 18944 5496 1 17 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.387 1.130 18944 5497 1 17 . 1 1 50 50 GLN H H 50 7.714 7.714 7.660 0.054 18944 5498 1 17 . 1 1 51 51 VAL N N 51 119.155 119.155 120.228 -1.073 18944 5499 1 17 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.771 -0.078 18944 5500 1 17 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.340 1.065 18944 5501 1 17 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.004 1.189 18944 5502 1 17 . 1 1 51 51 VAL H H 51 7.705 7.705 8.108 -0.403 18944 5503 1 17 . 1 1 52 52 LYS N N 52 121.165 121.165 120.951 0.214 18944 5504 1 17 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.023 0.250 18944 5505 1 17 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.016 -0.170 18944 5506 1 17 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.462 0.733 18944 5507 1 17 . 1 1 52 52 LYS H H 52 8.545 8.545 8.064 0.481 18944 5508 1 17 . 1 1 53 53 ILE N N 53 120.436 120.436 118.560 1.876 18944 5509 1 17 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.775 0.054 18944 5510 1 17 . 1 1 53 53 ILE CA C 53 64.231 64.231 64.994 -0.763 18944 5511 1 17 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.896 0.082 18944 5512 1 17 . 1 1 53 53 ILE H H 53 8.733 8.733 8.508 0.225 18944 5513 1 17 . 1 1 54 54 TRP N N 54 122.076 122.076 121.502 0.574 18944 5514 1 17 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.181 -0.167 18944 5515 1 17 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.779 1.623 18944 5516 1 17 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.645 -0.788 18944 5517 1 17 . 1 1 54 54 TRP H H 54 8.522 8.522 7.658 0.864 18944 5518 1 17 . 1 1 55 55 PHE N N 55 119.314 119.314 118.367 0.947 18944 5519 1 17 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.763 -0.045 18944 5520 1 17 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.217 1.156 18944 5521 1 17 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.546 0.779 18944 5522 1 17 . 1 1 55 55 PHE H H 55 9.087 9.087 8.546 0.541 18944 5523 1 17 . 1 1 56 56 GLN N N 56 119.067 119.067 118.169 0.898 18944 5524 1 17 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.905 0.090 18944 5525 1 17 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.484 -0.006 18944 5526 1 17 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.327 0.201 18944 5527 1 17 . 1 1 56 56 GLN H H 56 8.148 8.148 8.640 -0.492 18944 5528 1 17 . 1 1 57 57 ASN N N 57 119.662 119.662 117.657 2.005 18944 5529 1 17 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.406 -0.052 18944 5530 1 17 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.771 -0.454 18944 5531 1 17 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.098 -0.373 18944 5532 1 17 . 1 1 57 57 ASN H H 57 8.396 8.396 7.509 0.887 18944 5533 1 17 . 1 1 58 58 ARG N N 58 124.411 124.411 120.072 4.339 18944 5534 1 17 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.637 -0.129 18944 5535 1 17 . 1 1 58 58 ARG CA C 58 56.145 56.145 57.940 -1.795 18944 5536 1 17 . 1 1 58 58 ARG CB C 58 27.957 27.957 28.854 -0.897 18944 5537 1 17 . 1 1 58 58 ARG H H 58 8.454 8.454 7.923 0.531 18944 5538 1 17 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.104 0.250 18944 5539 1 17 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.250 1.209 18944 5540 1 17 . 1 1 59 59 ARG CB C 59 32.018 32.018 29.880 2.138 18944 5541 1 17 . 1 1 60 60 ALA N N 60 121.683 121.683 122.423 -0.740 18944 5542 1 17 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.075 0.120 18944 5543 1 17 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.133 -0.187 18944 5544 1 17 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.124 -0.453 18944 5545 1 17 . 1 1 60 60 ALA H H 60 7.524 7.524 7.786 -0.262 18944 5546 1 17 . 1 1 61 61 LYS N N 61 118.243 118.243 118.780 -0.537 18944 5547 1 17 . 1 1 61 61 LYS HA H 61 4.026 4.026 4.006 0.020 18944 5548 1 17 . 1 1 61 61 LYS CA C 61 58.604 58.604 58.878 -0.274 18944 5549 1 17 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.425 0.302 18944 5550 1 17 . 1 1 61 61 LYS H H 61 7.352 7.352 7.366 -0.014 18944 5551 1 17 . 1 1 62 62 TRP N N 62 121.102 121.102 122.065 -0.963 18944 5552 1 17 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.280 0.363 18944 5553 1 17 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.962 -2.039 18944 5554 1 17 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.406 0.180 18944 5555 1 17 . 1 1 62 62 TRP H H 62 7.934 7.934 8.693 -0.759 18944 5556 1 17 . 1 1 63 63 LYS N N 63 118.454 118.454 116.739 1.715 18944 5557 1 17 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.623 0.034 18944 5558 1 17 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.205 -1.497 18944 5559 1 17 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.940 0.733 18944 5560 1 17 . 1 1 63 63 LYS H H 63 8.328 8.328 7.923 0.406 18944 5561 1 17 . 1 1 64 64 ARG N N 64 119.371 119.371 116.335 3.036 18944 5562 1 17 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.238 -0.144 18944 5563 1 17 . 1 1 64 64 ARG CA C 64 57.575 57.575 56.184 1.391 18944 5564 1 17 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.755 0.287 18944 5565 1 17 . 1 1 64 64 ARG H H 64 7.605 7.605 7.570 0.035 18944 5566 1 17 . 1 1 65 65 ILE N N 65 120.717 120.717 117.123 3.594 18944 5567 1 17 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.234 -0.240 18944 5568 1 17 . 1 1 65 65 ILE CA C 65 62.122 62.122 62.190 -0.068 18944 5569 1 17 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.951 -1.751 18944 5570 1 17 . 1 1 65 65 ILE H H 65 7.933 7.933 7.830 0.103 18944 5571 1 17 . 1 1 66 66 LYS N N 66 123.684 123.684 118.954 4.730 18944 5572 1 17 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.084 0.056 18944 5573 1 17 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.010 -1.319 18944 5574 1 17 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.953 0.403 18944 5575 1 17 . 1 1 66 66 LYS H H 66 8.180 8.180 8.121 0.059 18944 5576 1 17 . 1 1 67 67 ALA N N 67 123.678 123.678 123.363 0.315 18944 5577 1 17 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.395 -0.121 18944 5578 1 17 . 1 1 67 67 ALA CA C 67 52.548 52.548 50.799 1.749 18944 5579 1 17 . 1 1 67 67 ALA CB C 67 19.080 19.080 16.989 2.091 18944 5580 1 17 . 1 1 67 67 ALA H H 67 7.959 7.959 7.533 0.426 18944 5581 1 17 . 1 1 68 68 GLY N N 68 107.345 107.345 111.146 -3.801 18944 5582 1 17 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.524 -0.250 18944 5583 1 17 . 1 1 68 68 GLY H H 68 8.157 8.157 7.782 0.375 18944 5584 1 17 . 1 1 69 69 ASN N N 69 118.854 118.854 120.861 -2.007 18944 5585 1 17 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.865 -0.108 18944 5586 1 17 . 1 1 69 69 ASN CA C 69 53.066 53.066 52.488 0.578 18944 5587 1 17 . 1 1 69 69 ASN CB C 69 38.948 38.948 39.223 -0.275 18944 5588 1 17 . 1 1 69 69 ASN H H 69 8.230 8.230 8.514 -0.284 18944 5589 1 17 . 1 1 70 70 VAL N N 70 119.499 119.499 124.569 -5.070 18944 5590 1 17 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.119 0.087 18944 5591 1 17 . 1 1 70 70 VAL CA C 70 62.062 62.062 61.717 0.345 18944 5592 1 17 . 1 1 70 70 VAL CB C 70 32.804 32.804 29.075 3.729 18944 5593 1 17 . 1 1 70 70 VAL H H 70 8.109 8.109 8.514 -0.405 18944 5594 1 18 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.415 0.025 18944 5595 1 18 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.948 0.353 18944 5596 1 18 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.200 -0.330 18944 5597 1 18 . 1 1 4 4 GLY N N 4 109.613 109.613 106.870 2.743 18944 5598 1 18 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.322 0.922 18944 5599 1 18 . 1 1 4 4 GLY H H 4 8.536 8.536 7.660 0.876 18944 5600 1 18 . 1 1 5 5 GLY N N 5 108.797 108.797 107.152 1.645 18944 5601 1 18 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.968 0.284 18944 5602 1 18 . 1 1 5 5 GLY H H 5 8.298 8.298 8.321 -0.023 18944 5603 1 18 . 1 1 6 6 LYS N N 6 120.988 120.988 119.763 1.225 18944 5604 1 18 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.579 -0.632 18944 5605 1 18 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.177 2.081 18944 5606 1 18 . 1 1 6 6 LYS CB C 6 32.910 32.910 34.816 -1.906 18944 5607 1 18 . 1 1 6 6 LYS H H 6 8.313 8.313 7.857 0.456 18944 5608 1 18 . 1 1 7 7 SER N N 7 116.912 116.912 115.249 1.663 18944 5609 1 18 . 1 1 7 7 SER HA H 7 4.420 4.420 4.011 0.409 18944 5610 1 18 . 1 1 7 7 SER CA C 7 58.338 58.338 60.214 -1.876 18944 5611 1 18 . 1 1 7 7 SER CB C 7 63.540 63.540 62.560 0.980 18944 5612 1 18 . 1 1 7 7 SER H H 7 8.345 8.345 8.735 -0.390 18944 5613 1 18 . 1 1 8 8 ARG N N 8 123.496 123.496 119.313 4.183 18944 5614 1 18 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.009 0.330 18944 5615 1 18 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.244 -1.206 18944 5616 1 18 . 1 1 8 8 ARG CB C 8 30.596 30.596 28.743 1.853 18944 5617 1 18 . 1 1 8 8 ARG H H 8 8.410 8.410 8.245 0.165 18944 5618 1 18 . 1 1 9 9 ARG N N 9 122.569 122.569 117.534 5.035 18944 5619 1 18 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.435 -0.127 18944 5620 1 18 . 1 1 9 9 ARG CA C 9 55.979 55.979 55.175 0.805 18944 5621 1 18 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.683 -1.983 18944 5622 1 18 . 1 1 9 9 ARG H H 9 8.340 8.340 7.495 0.845 18944 5623 1 18 . 1 1 10 10 ARG N N 10 123.464 123.464 125.039 -1.575 18944 5624 1 18 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.461 -0.133 18944 5625 1 18 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.505 -1.579 18944 5626 1 18 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.300 2.521 18944 5627 1 18 . 1 1 10 10 ARG H H 10 8.457 8.457 8.925 -0.468 18944 5628 1 18 . 1 1 11 11 ARG N N 11 123.477 123.477 118.426 5.051 18944 5629 1 18 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.562 -0.173 18944 5630 1 18 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.891 0.078 18944 5631 1 18 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.177 -1.338 18944 5632 1 18 . 1 1 11 11 ARG H H 11 8.540 8.540 8.101 0.439 18944 5633 1 18 . 1 1 12 12 THR N N 12 116.338 116.338 115.347 0.991 18944 5634 1 18 . 1 1 12 12 THR HA H 12 4.289 4.289 4.612 -0.323 18944 5635 1 18 . 1 1 12 12 THR CA C 12 61.393 61.393 61.520 -0.127 18944 5636 1 18 . 1 1 12 12 THR CB C 12 69.660 69.660 70.211 -0.551 18944 5637 1 18 . 1 1 12 12 THR H H 12 8.249 8.249 7.493 0.756 18944 5638 1 18 . 1 1 13 13 ALA N N 13 127.182 127.182 131.447 -4.265 18944 5639 1 18 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.790 0.515 18944 5640 1 18 . 1 1 13 13 ALA CA C 13 52.024 52.024 54.077 -2.053 18944 5641 1 18 . 1 1 13 13 ALA CB C 13 19.654 19.654 17.684 1.970 18944 5642 1 18 . 1 1 13 13 ALA H H 13 8.275 8.275 8.731 -0.456 18944 5643 1 18 . 1 1 14 14 PHE N N 14 118.661 118.661 118.435 0.226 18944 5644 1 18 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.124 -0.161 18944 5645 1 18 . 1 1 14 14 PHE CA C 14 56.258 56.258 56.359 -0.101 18944 5646 1 18 . 1 1 14 14 PHE CB C 14 40.719 40.719 40.986 -0.267 18944 5647 1 18 . 1 1 14 14 PHE H H 14 8.060 8.060 7.926 0.134 18944 5648 1 18 . 1 1 15 15 THR N N 15 113.672 113.672 107.993 5.679 18944 5649 1 18 . 1 1 15 15 THR HA H 15 4.522 4.522 4.868 -0.346 18944 5650 1 18 . 1 1 15 15 THR CA C 15 60.272 60.272 59.125 1.147 18944 5651 1 18 . 1 1 15 15 THR CB C 15 70.919 70.919 71.228 -0.309 18944 5652 1 18 . 1 1 15 15 THR H H 15 9.139 9.139 7.931 1.208 18944 5653 1 18 . 1 1 16 16 SER N N 16 116.722 116.722 115.736 0.986 18944 5654 1 18 . 1 1 16 16 SER HA H 16 3.934 3.934 4.315 -0.381 18944 5655 1 18 . 1 1 16 16 SER CA C 16 62.071 62.071 61.377 0.694 18944 5656 1 18 . 1 1 16 16 SER CB C 16 61.814 61.814 62.852 -1.038 18944 5657 1 18 . 1 1 16 16 SER H H 16 9.094 9.094 8.810 0.284 18944 5658 1 18 . 1 1 17 17 GLU N N 17 120.784 120.784 122.275 -1.491 18944 5659 1 18 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.076 -0.054 18944 5660 1 18 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.391 0.736 18944 5661 1 18 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.615 -0.507 18944 5662 1 18 . 1 1 17 17 GLU H H 17 8.673 8.673 7.843 0.830 18944 5663 1 18 . 1 1 18 18 GLN N N 18 118.707 118.707 119.271 -0.564 18944 5664 1 18 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.038 -0.230 18944 5665 1 18 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.858 0.103 18944 5666 1 18 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.990 -1.010 18944 5667 1 18 . 1 1 18 18 GLN H H 18 7.748 7.748 7.729 0.019 18944 5668 1 18 . 1 1 19 19 LEU N N 19 117.129 117.129 118.055 -0.926 18944 5669 1 18 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.806 -0.177 18944 5670 1 18 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.502 1.293 18944 5671 1 18 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.663 -0.051 18944 5672 1 18 . 1 1 19 19 LEU H H 19 8.109 8.109 8.321 -0.212 18944 5673 1 18 . 1 1 20 20 LEU N N 20 119.459 119.459 120.167 -0.708 18944 5674 1 18 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.134 -0.132 18944 5675 1 18 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.234 0.769 18944 5676 1 18 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.447 -0.489 18944 5677 1 18 . 1 1 20 20 LEU H H 20 7.948 7.948 7.455 0.493 18944 5678 1 18 . 1 1 21 21 GLU N N 21 118.593 118.593 119.977 -1.384 18944 5679 1 18 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.002 0.084 18944 5680 1 18 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.982 -0.552 18944 5681 1 18 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.018 0.654 18944 5682 1 18 . 1 1 21 21 GLU H H 21 7.564 7.564 8.261 -0.697 18944 5683 1 18 . 1 1 22 22 LEU N N 22 122.405 122.405 120.252 2.153 18944 5684 1 18 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.807 -0.291 18944 5685 1 18 . 1 1 22 22 LEU CA C 22 58.229 58.229 58.196 0.033 18944 5686 1 18 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.169 -3.173 18944 5687 1 18 . 1 1 22 22 LEU H H 22 8.148 8.148 7.860 0.288 18944 5688 1 18 . 1 1 23 23 GLU N N 23 118.202 118.202 116.526 1.676 18944 5689 1 18 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.223 0.059 18944 5690 1 18 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.800 0.016 18944 5691 1 18 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.045 -0.091 18944 5692 1 18 . 1 1 23 23 GLU H H 23 7.853 7.853 7.924 -0.071 18944 5693 1 18 . 1 1 24 24 LYS N N 24 120.955 120.955 118.792 2.163 18944 5694 1 18 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.141 -0.115 18944 5695 1 18 . 1 1 24 24 LYS CA C 24 59.854 59.854 58.754 1.100 18944 5696 1 18 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.748 -0.458 18944 5697 1 18 . 1 1 24 24 LYS H H 24 7.828 7.828 7.517 0.311 18944 5698 1 18 . 1 1 25 25 GLU N N 25 120.791 120.791 116.382 4.409 18944 5699 1 18 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.359 -0.100 18944 5700 1 18 . 1 1 25 25 GLU CA C 25 58.720 58.720 56.424 2.296 18944 5701 1 18 . 1 1 25 25 GLU CB C 25 28.575 28.575 30.061 -1.486 18944 5702 1 18 . 1 1 25 25 GLU H H 25 8.153 8.153 7.632 0.521 18944 5703 1 18 . 1 1 26 26 PHE N N 26 115.094 115.094 122.192 -7.098 18944 5704 1 18 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.571 -0.079 18944 5705 1 18 . 1 1 26 26 PHE CA C 26 56.446 56.446 57.763 -1.317 18944 5706 1 18 . 1 1 26 26 PHE CB C 26 41.822 41.822 37.105 4.717 18944 5707 1 18 . 1 1 26 26 PHE H H 26 7.404 7.404 7.587 -0.183 18944 5708 1 18 . 1 1 27 27 HIS N N 27 115.592 115.592 120.551 -4.959 18944 5709 1 18 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.398 -0.345 18944 5710 1 18 . 1 1 27 27 HIS CA C 27 58.490 58.490 57.780 0.710 18944 5711 1 18 . 1 1 27 27 HIS CB C 27 28.830 28.830 31.081 -2.251 18944 5712 1 18 . 1 1 27 27 HIS H H 27 8.057 8.057 8.162 -0.105 18944 5713 1 18 . 1 1 28 28 CYS N N 28 116.364 116.364 119.530 -3.166 18944 5714 1 18 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.247 -0.222 18944 5715 1 18 . 1 1 28 28 CYS CA C 28 58.623 58.623 61.109 -2.486 18944 5716 1 18 . 1 1 28 28 CYS CB C 28 29.921 29.921 28.385 1.536 18944 5717 1 18 . 1 1 28 28 CYS H H 28 7.972 7.972 8.405 -0.433 18944 5718 1 18 . 1 1 29 29 LYS N N 29 122.054 122.054 118.755 3.299 18944 5719 1 18 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.251 0.049 18944 5720 1 18 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.154 0.087 18944 5721 1 18 . 1 1 29 29 LYS CB C 29 35.189 35.189 33.404 1.785 18944 5722 1 18 . 1 1 29 29 LYS H H 29 8.521 8.521 7.508 1.012 18944 5723 1 18 . 1 1 30 30 LYS N N 30 118.250 118.250 118.178 0.072 18944 5724 1 18 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.377 -0.673 18944 5725 1 18 . 1 1 30 30 LYS CA C 30 55.817 55.817 57.023 -1.206 18944 5726 1 18 . 1 1 30 30 LYS CB C 30 32.454 32.454 34.807 -2.353 18944 5727 1 18 . 1 1 30 30 LYS H H 30 7.830 7.830 8.379 -0.549 18944 5728 1 18 . 1 1 31 31 TYR N N 31 112.854 112.854 117.191 -4.337 18944 5729 1 18 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.869 -0.389 18944 5730 1 18 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.304 0.068 18944 5731 1 18 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.319 1.841 18944 5732 1 18 . 1 1 31 31 TYR H H 31 7.294 7.294 7.129 0.165 18944 5733 1 18 . 1 1 32 32 LEU N N 32 122.615 122.615 124.683 -2.068 18944 5734 1 18 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.464 0.246 18944 5735 1 18 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.710 -0.808 18944 5736 1 18 . 1 1 32 32 LEU CB C 32 44.626 44.626 41.182 3.444 18944 5737 1 18 . 1 1 32 32 LEU H H 32 8.426 8.426 8.434 -0.008 18944 5738 1 18 . 1 1 33 33 SER N N 33 119.224 119.224 118.406 0.818 18944 5739 1 18 . 1 1 33 33 SER HA H 33 4.583 4.583 4.381 0.202 18944 5740 1 18 . 1 1 33 33 SER CA C 33 56.483 56.483 58.277 -1.794 18944 5741 1 18 . 1 1 33 33 SER CB C 33 65.258 65.258 64.219 1.039 18944 5742 1 18 . 1 1 33 33 SER H H 33 9.322 9.322 8.675 0.647 18944 5743 1 18 . 1 1 34 34 LEU N N 34 121.601 121.601 123.989 -2.388 18944 5744 1 18 . 1 1 34 34 LEU HA H 34 3.977 3.977 3.956 0.021 18944 5745 1 18 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.994 -0.123 18944 5746 1 18 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.516 -0.153 18944 5747 1 18 . 1 1 34 34 LEU H H 34 8.808 8.808 8.804 0.004 18944 5748 1 18 . 1 1 35 35 THR N N 35 113.816 113.816 114.270 -0.454 18944 5749 1 18 . 1 1 35 35 THR HA H 35 3.944 3.944 3.988 -0.044 18944 5750 1 18 . 1 1 35 35 THR CA C 35 65.721 65.721 66.235 -0.514 18944 5751 1 18 . 1 1 35 35 THR CB C 35 68.367 68.367 67.921 0.446 18944 5752 1 18 . 1 1 35 35 THR H H 35 8.104 8.104 8.066 0.038 18944 5753 1 18 . 1 1 36 36 GLU N N 36 123.125 123.125 121.014 2.111 18944 5754 1 18 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.947 0.030 18944 5755 1 18 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.831 -0.953 18944 5756 1 18 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.812 1.595 18944 5757 1 18 . 1 1 36 36 GLU H H 36 7.691 7.691 8.529 -0.838 18944 5758 1 18 . 1 1 37 37 ARG N N 37 119.258 119.258 119.868 -0.610 18944 5759 1 18 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.978 -0.222 18944 5760 1 18 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.266 0.755 18944 5761 1 18 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.276 0.579 18944 5762 1 18 . 1 1 37 37 ARG H H 37 8.726 8.726 8.353 0.373 18944 5763 1 18 . 1 1 38 38 SER N N 38 113.573 113.573 115.552 -1.979 18944 5764 1 18 . 1 1 38 38 SER HA H 38 4.073 4.073 4.082 -0.009 18944 5765 1 18 . 1 1 38 38 SER CA C 38 61.865 61.865 61.493 0.372 18944 5766 1 18 . 1 1 38 38 SER CB C 38 62.685 62.685 62.639 0.046 18944 5767 1 18 . 1 1 38 38 SER H H 38 8.039 8.039 8.219 -0.180 18944 5768 1 18 . 1 1 39 39 GLN N N 39 121.912 121.912 120.276 1.636 18944 5769 1 18 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.808 0.307 18944 5770 1 18 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.088 -0.003 18944 5771 1 18 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.642 -0.475 18944 5772 1 18 . 1 1 39 39 GLN H H 39 8.033 8.033 7.539 0.494 18944 5773 1 18 . 1 1 40 40 ILE N N 40 121.716 121.716 119.705 2.011 18944 5774 1 18 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.670 0.209 18944 5775 1 18 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.057 -0.696 18944 5776 1 18 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.628 0.501 18944 5777 1 18 . 1 1 40 40 ILE H H 40 8.205 8.205 7.786 0.419 18944 5778 1 18 . 1 1 41 41 ALA N N 41 122.005 122.005 122.750 -0.745 18944 5779 1 18 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.941 -0.278 18944 5780 1 18 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.234 0.713 18944 5781 1 18 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.262 -0.746 18944 5782 1 18 . 1 1 41 41 ALA H H 41 8.301 8.301 7.943 0.358 18944 5783 1 18 . 1 1 42 42 HIS N N 42 114.193 114.193 117.937 -3.744 18944 5784 1 18 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.190 0.204 18944 5785 1 18 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.559 0.090 18944 5786 1 18 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.066 -1.195 18944 5787 1 18 . 1 1 42 42 HIS H H 42 8.091 8.091 8.560 -0.469 18944 5788 1 18 . 1 1 43 43 ALA N N 43 122.121 122.121 121.536 0.585 18944 5789 1 18 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.128 -0.062 18944 5790 1 18 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.616 0.240 18944 5791 1 18 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.802 -0.485 18944 5792 1 18 . 1 1 43 43 ALA H H 43 8.167 8.167 7.800 0.367 18944 5793 1 18 . 1 1 44 44 LEU N N 44 114.117 114.117 116.268 -2.151 18944 5794 1 18 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.289 0.038 18944 5795 1 18 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.914 -0.743 18944 5796 1 18 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.511 -0.039 18944 5797 1 18 . 1 1 44 44 LEU H H 44 8.037 8.037 7.606 0.431 18944 5798 1 18 . 1 1 45 45 LYS N N 45 117.081 117.081 115.745 1.336 18944 5799 1 18 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.959 -0.011 18944 5800 1 18 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.045 0.169 18944 5801 1 18 . 1 1 45 45 LYS CB C 45 28.359 28.359 31.450 -3.091 18944 5802 1 18 . 1 1 45 45 LYS H H 45 7.806 7.806 7.701 0.105 18944 5803 1 18 . 1 1 46 46 LEU N N 46 119.781 119.781 119.250 0.531 18944 5804 1 18 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.275 0.504 18944 5805 1 18 . 1 1 46 46 LEU CA C 46 52.375 52.375 55.423 -3.049 18944 5806 1 18 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.025 4.405 18944 5807 1 18 . 1 1 46 46 LEU H H 46 8.393 8.393 7.803 0.590 18944 5808 1 18 . 1 1 47 47 SER N N 47 114.982 114.982 113.127 1.855 18944 5809 1 18 . 1 1 47 47 SER HA H 47 4.772 4.772 4.726 0.046 18944 5810 1 18 . 1 1 47 47 SER CA C 47 56.659 56.659 56.722 -0.063 18944 5811 1 18 . 1 1 47 47 SER CB C 47 64.905 64.905 65.269 -0.364 18944 5812 1 18 . 1 1 47 47 SER H H 47 8.817 8.817 8.135 0.682 18944 5813 1 18 . 1 1 48 48 GLU N N 48 122.917 122.917 121.823 1.094 18944 5814 1 18 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.002 -0.339 18944 5815 1 18 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.059 1.083 18944 5816 1 18 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.453 -0.460 18944 5817 1 18 . 1 1 48 48 GLU H H 48 9.232 9.232 8.999 0.233 18944 5818 1 18 . 1 1 49 49 VAL N N 49 118.250 118.250 119.141 -0.891 18944 5819 1 18 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.830 -0.060 18944 5820 1 18 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.341 -0.648 18944 5821 1 18 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.615 0.205 18944 5822 1 18 . 1 1 49 49 VAL H H 49 8.015 8.015 7.989 0.026 18944 5823 1 18 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.229 -0.074 18944 5824 1 18 . 1 1 50 50 GLN CA C 50 59.241 59.241 58.915 0.326 18944 5825 1 18 . 1 1 50 50 GLN CB C 50 29.517 29.517 27.969 1.548 18944 5826 1 18 . 1 1 50 50 GLN H H 50 7.714 7.714 7.766 -0.052 18944 5827 1 18 . 1 1 51 51 VAL N N 51 119.155 119.155 120.188 -1.033 18944 5828 1 18 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.850 -0.157 18944 5829 1 18 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.373 1.031 18944 5830 1 18 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.849 1.344 18944 5831 1 18 . 1 1 51 51 VAL H H 51 7.705 7.705 7.755 -0.050 18944 5832 1 18 . 1 1 52 52 LYS N N 52 121.165 121.165 120.851 0.314 18944 5833 1 18 . 1 1 52 52 LYS HA H 52 4.273 4.273 3.950 0.323 18944 5834 1 18 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.220 -0.374 18944 5835 1 18 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.438 0.756 18944 5836 1 18 . 1 1 52 52 LYS H H 52 8.545 8.545 8.001 0.544 18944 5837 1 18 . 1 1 53 53 ILE N N 53 120.436 120.436 119.049 1.387 18944 5838 1 18 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.754 0.075 18944 5839 1 18 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.202 -0.971 18944 5840 1 18 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.927 0.051 18944 5841 1 18 . 1 1 53 53 ILE H H 53 8.733 8.733 8.413 0.320 18944 5842 1 18 . 1 1 54 54 TRP N N 54 122.076 122.076 121.527 0.549 18944 5843 1 18 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.205 -0.191 18944 5844 1 18 . 1 1 54 54 TRP CA C 54 63.402 63.402 62.018 1.384 18944 5845 1 18 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.797 -0.940 18944 5846 1 18 . 1 1 54 54 TRP H H 54 8.522 8.522 8.154 0.368 18944 5847 1 18 . 1 1 55 55 PHE N N 55 119.314 119.314 117.928 1.386 18944 5848 1 18 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.081 -0.363 18944 5849 1 18 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.175 1.198 18944 5850 1 18 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.631 0.694 18944 5851 1 18 . 1 1 55 55 PHE H H 55 9.087 9.087 9.106 -0.019 18944 5852 1 18 . 1 1 56 56 GLN N N 56 119.067 119.067 119.186 -0.119 18944 5853 1 18 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.957 0.038 18944 5854 1 18 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.651 -0.173 18944 5855 1 18 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.420 0.108 18944 5856 1 18 . 1 1 56 56 GLN H H 56 8.148 8.148 8.676 -0.528 18944 5857 1 18 . 1 1 57 57 ASN N N 57 119.662 119.662 117.319 2.343 18944 5858 1 18 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.452 -0.098 18944 5859 1 18 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.591 -0.274 18944 5860 1 18 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.166 -0.441 18944 5861 1 18 . 1 1 57 57 ASN H H 57 8.396 8.396 7.927 0.469 18944 5862 1 18 . 1 1 58 58 ARG N N 58 124.411 124.411 120.443 3.968 18944 5863 1 18 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.637 -0.129 18944 5864 1 18 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.834 -2.689 18944 5865 1 18 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.449 -1.492 18944 5866 1 18 . 1 1 58 58 ARG H H 58 8.454 8.454 7.854 0.600 18944 5867 1 18 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.129 0.225 18944 5868 1 18 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.188 1.271 18944 5869 1 18 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.040 1.978 18944 5870 1 18 . 1 1 60 60 ALA N N 60 121.683 121.683 121.831 -0.148 18944 5871 1 18 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.056 0.139 18944 5872 1 18 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.313 -0.367 18944 5873 1 18 . 1 1 60 60 ALA CB C 60 17.671 17.671 17.989 -0.318 18944 5874 1 18 . 1 1 60 60 ALA H H 60 7.524 7.524 7.763 -0.239 18944 5875 1 18 . 1 1 61 61 LYS N N 61 118.243 118.243 119.114 -0.871 18944 5876 1 18 . 1 1 61 61 LYS HA H 61 4.026 4.026 4.040 -0.014 18944 5877 1 18 . 1 1 61 61 LYS CA C 61 58.604 58.604 58.881 -0.277 18944 5878 1 18 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.278 0.449 18944 5879 1 18 . 1 1 61 61 LYS H H 61 7.352 7.352 7.803 -0.451 18944 5880 1 18 . 1 1 62 62 TRP N N 62 121.102 121.102 121.464 -0.362 18944 5881 1 18 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.364 0.279 18944 5882 1 18 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.144 -2.221 18944 5883 1 18 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.628 -0.042 18944 5884 1 18 . 1 1 62 62 TRP H H 62 7.934 7.934 7.840 0.094 18944 5885 1 18 . 1 1 63 63 LYS N N 63 118.454 118.454 117.706 0.748 18944 5886 1 18 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.537 0.120 18944 5887 1 18 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.742 -2.034 18944 5888 1 18 . 1 1 63 63 LYS CB C 63 32.673 32.673 32.013 0.660 18944 5889 1 18 . 1 1 63 63 LYS H H 63 8.328 8.328 8.007 0.321 18944 5890 1 18 . 1 1 64 64 ARG N N 64 119.371 119.371 117.173 2.198 18944 5891 1 18 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.160 -0.066 18944 5892 1 18 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.360 0.215 18944 5893 1 18 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.651 0.391 18944 5894 1 18 . 1 1 64 64 ARG H H 64 7.605 7.605 7.712 -0.107 18944 5895 1 18 . 1 1 65 65 ILE N N 65 120.717 120.717 120.701 0.016 18944 5896 1 18 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.032 -0.038 18944 5897 1 18 . 1 1 65 65 ILE CA C 65 62.122 62.122 63.393 -1.271 18944 5898 1 18 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.936 -0.736 18944 5899 1 18 . 1 1 65 65 ILE H H 65 7.933 7.933 7.778 0.155 18944 5900 1 18 . 1 1 66 66 LYS N N 66 123.684 123.684 120.759 2.925 18944 5901 1 18 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.925 0.215 18944 5902 1 18 . 1 1 66 66 LYS CA C 66 56.691 56.691 59.120 -2.429 18944 5903 1 18 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.920 0.436 18944 5904 1 18 . 1 1 66 66 LYS H H 66 8.180 8.180 8.080 0.100 18944 5905 1 18 . 1 1 67 67 ALA N N 67 123.678 123.678 119.318 4.360 18944 5906 1 18 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.492 -0.218 18944 5907 1 18 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.069 0.479 18944 5908 1 18 . 1 1 67 67 ALA CB C 67 19.080 19.080 19.766 -0.686 18944 5909 1 18 . 1 1 67 67 ALA H H 67 7.959 7.959 7.625 0.334 18944 5910 1 18 . 1 1 68 68 GLY N N 68 107.345 107.345 107.284 0.061 18944 5911 1 18 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.902 0.372 18944 5912 1 18 . 1 1 68 68 GLY H H 68 8.157 8.157 7.532 0.625 18944 5913 1 18 . 1 1 69 69 ASN N N 69 118.854 118.854 118.915 -0.061 18944 5914 1 18 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.955 -0.198 18944 5915 1 18 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.570 -0.504 18944 5916 1 18 . 1 1 69 69 ASN CB C 69 38.948 38.948 41.274 -2.326 18944 5917 1 18 . 1 1 69 69 ASN H H 69 8.230 8.230 8.246 -0.016 18944 5918 1 18 . 1 1 70 70 VAL N N 70 119.499 119.499 117.406 2.093 18944 5919 1 18 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.296 -0.090 18944 5920 1 18 . 1 1 70 70 VAL CA C 70 62.062 62.062 61.864 0.198 18944 5921 1 18 . 1 1 70 70 VAL CB C 70 32.804 32.804 32.011 0.793 18944 5922 1 18 . 1 1 70 70 VAL H H 70 8.109 8.109 8.074 0.035 18944 5923 1 19 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.450 -0.010 18944 5924 1 19 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.713 0.588 18944 5925 1 19 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.527 -0.657 18944 5926 1 19 . 1 1 4 4 GLY N N 4 109.613 109.613 110.120 -0.507 18944 5927 1 19 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.718 0.526 18944 5928 1 19 . 1 1 4 4 GLY H H 4 8.536 8.536 8.549 -0.013 18944 5929 1 19 . 1 1 5 5 GLY N N 5 108.797 108.797 107.194 1.603 18944 5930 1 19 . 1 1 5 5 GLY CA C 5 45.252 45.252 46.007 -0.755 18944 5931 1 19 . 1 1 5 5 GLY H H 5 8.298 8.298 7.589 0.709 18944 5932 1 19 . 1 1 6 6 LYS N N 6 120.988 120.988 119.696 1.292 18944 5933 1 19 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.509 -0.562 18944 5934 1 19 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.382 0.876 18944 5935 1 19 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.307 0.603 18944 5936 1 19 . 1 1 6 6 LYS H H 6 8.313 8.313 8.467 -0.154 18944 5937 1 19 . 1 1 7 7 SER N N 7 116.912 116.912 114.489 2.423 18944 5938 1 19 . 1 1 7 7 SER HA H 7 4.420 4.420 3.890 0.530 18944 5939 1 19 . 1 1 7 7 SER CA C 7 58.338 58.338 60.838 -2.500 18944 5940 1 19 . 1 1 7 7 SER CB C 7 63.540 63.540 62.745 0.795 18944 5941 1 19 . 1 1 7 7 SER H H 7 8.345 8.345 8.507 -0.162 18944 5942 1 19 . 1 1 8 8 ARG N N 8 123.496 123.496 118.849 4.647 18944 5943 1 19 . 1 1 8 8 ARG HA H 8 4.339 4.339 3.970 0.369 18944 5944 1 19 . 1 1 8 8 ARG CA C 8 56.038 56.038 57.936 -1.898 18944 5945 1 19 . 1 1 8 8 ARG CB C 8 30.596 30.596 29.948 0.648 18944 5946 1 19 . 1 1 8 8 ARG H H 8 8.410 8.410 8.269 0.141 18944 5947 1 19 . 1 1 9 9 ARG N N 9 122.569 122.569 115.838 6.731 18944 5948 1 19 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.730 -0.422 18944 5949 1 19 . 1 1 9 9 ARG CA C 9 55.979 55.979 53.915 2.064 18944 5950 1 19 . 1 1 9 9 ARG CB C 9 30.700 30.700 32.369 -1.669 18944 5951 1 19 . 1 1 9 9 ARG H H 9 8.340 8.340 8.224 0.116 18944 5952 1 19 . 1 1 10 10 ARG N N 10 123.464 123.464 123.237 0.227 18944 5953 1 19 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.338 -0.010 18944 5954 1 19 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.124 -1.198 18944 5955 1 19 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.849 1.972 18944 5956 1 19 . 1 1 10 10 ARG H H 10 8.457 8.457 8.755 -0.298 18944 5957 1 19 . 1 1 11 11 ARG N N 11 123.477 123.477 124.165 -0.688 18944 5958 1 19 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.499 -0.110 18944 5959 1 19 . 1 1 11 11 ARG CA C 11 55.969 55.969 56.085 -0.116 18944 5960 1 19 . 1 1 11 11 ARG CB C 11 30.839 30.839 31.928 -1.089 18944 5961 1 19 . 1 1 11 11 ARG H H 11 8.540 8.540 8.660 -0.120 18944 5962 1 19 . 1 1 12 12 THR N N 12 116.338 116.338 113.424 2.914 18944 5963 1 19 . 1 1 12 12 THR HA H 12 4.289 4.289 4.628 -0.339 18944 5964 1 19 . 1 1 12 12 THR CA C 12 61.393 61.393 61.154 0.239 18944 5965 1 19 . 1 1 12 12 THR CB C 12 69.660 69.660 69.948 -0.288 18944 5966 1 19 . 1 1 12 12 THR H H 12 8.249 8.249 7.603 0.646 18944 5967 1 19 . 1 1 13 13 ALA N N 13 127.182 127.182 124.310 2.872 18944 5968 1 19 . 1 1 13 13 ALA HA H 13 4.305 4.305 4.061 0.244 18944 5969 1 19 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.741 -1.717 18944 5970 1 19 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.881 0.773 18944 5971 1 19 . 1 1 13 13 ALA H H 13 8.275 8.275 8.455 -0.180 18944 5972 1 19 . 1 1 14 14 PHE N N 14 118.661 118.661 112.662 5.999 18944 5973 1 19 . 1 1 14 14 PHE HA H 14 4.963 4.963 4.700 0.263 18944 5974 1 19 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.801 0.457 18944 5975 1 19 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.518 -0.799 18944 5976 1 19 . 1 1 14 14 PHE H H 14 8.060 8.060 7.784 0.276 18944 5977 1 19 . 1 1 15 15 THR N N 15 113.672 113.672 108.846 4.826 18944 5978 1 19 . 1 1 15 15 THR HA H 15 4.522 4.522 4.930 -0.408 18944 5979 1 19 . 1 1 15 15 THR CA C 15 60.272 60.272 59.386 0.886 18944 5980 1 19 . 1 1 15 15 THR CB C 15 70.919 70.919 71.384 -0.465 18944 5981 1 19 . 1 1 15 15 THR H H 15 9.139 9.139 8.098 1.041 18944 5982 1 19 . 1 1 16 16 SER N N 16 116.722 116.722 114.407 2.315 18944 5983 1 19 . 1 1 16 16 SER HA H 16 3.934 3.934 4.377 -0.443 18944 5984 1 19 . 1 1 16 16 SER CA C 16 62.071 62.071 60.861 1.210 18944 5985 1 19 . 1 1 16 16 SER CB C 16 61.814 61.814 63.417 -1.603 18944 5986 1 19 . 1 1 16 16 SER H H 16 9.094 9.094 8.640 0.454 18944 5987 1 19 . 1 1 17 17 GLU N N 17 120.784 120.784 122.771 -1.987 18944 5988 1 19 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.099 -0.077 18944 5989 1 19 . 1 1 17 17 GLU CA C 17 60.127 60.127 58.853 1.274 18944 5990 1 19 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.574 -0.466 18944 5991 1 19 . 1 1 17 17 GLU H H 17 8.673 8.673 7.647 1.026 18944 5992 1 19 . 1 1 18 18 GLN N N 18 118.707 118.707 118.430 0.277 18944 5993 1 19 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.023 -0.214 18944 5994 1 19 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.776 0.184 18944 5995 1 19 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.593 -0.613 18944 5996 1 19 . 1 1 18 18 GLN H H 18 7.748 7.748 8.185 -0.437 18944 5997 1 19 . 1 1 19 19 LEU N N 19 117.129 117.129 117.896 -0.767 18944 5998 1 19 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.834 -0.205 18944 5999 1 19 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.617 1.178 18944 6000 1 19 . 1 1 19 19 LEU CB C 19 41.611 41.611 42.373 -0.762 18944 6001 1 19 . 1 1 19 19 LEU H H 19 8.109 8.109 7.553 0.556 18944 6002 1 19 . 1 1 20 20 LEU N N 20 119.459 119.459 120.739 -1.280 18944 6003 1 19 . 1 1 20 20 LEU HA H 20 4.002 4.002 3.939 0.063 18944 6004 1 19 . 1 1 20 20 LEU CA C 20 58.003 58.003 58.070 -0.067 18944 6005 1 19 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.093 -0.135 18944 6006 1 19 . 1 1 20 20 LEU H H 20 7.948 7.948 7.570 0.378 18944 6007 1 19 . 1 1 21 21 GLU N N 21 118.593 118.593 117.792 0.801 18944 6008 1 19 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.034 0.052 18944 6009 1 19 . 1 1 21 21 GLU CA C 21 58.430 58.430 59.271 -0.841 18944 6010 1 19 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.369 0.303 18944 6011 1 19 . 1 1 21 21 GLU H H 21 7.564 7.564 8.497 -0.933 18944 6012 1 19 . 1 1 22 22 LEU N N 22 122.405 122.405 117.928 4.477 18944 6013 1 19 . 1 1 22 22 LEU HA H 22 3.516 3.516 4.136 -0.620 18944 6014 1 19 . 1 1 22 22 LEU CA C 22 58.229 58.229 56.343 1.886 18944 6015 1 19 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.337 -3.341 18944 6016 1 19 . 1 1 22 22 LEU H H 22 8.148 8.148 6.965 1.183 18944 6017 1 19 . 1 1 23 23 GLU N N 23 118.202 118.202 119.003 -0.801 18944 6018 1 19 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.127 0.155 18944 6019 1 19 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.865 -0.049 18944 6020 1 19 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.074 -0.120 18944 6021 1 19 . 1 1 23 23 GLU H H 23 7.853 7.853 7.627 0.226 18944 6022 1 19 . 1 1 24 24 LYS N N 24 120.955 120.955 120.294 0.661 18944 6023 1 19 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.043 -0.017 18944 6024 1 19 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.676 0.178 18944 6025 1 19 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.266 0.024 18944 6026 1 19 . 1 1 24 24 LYS H H 24 7.828 7.828 7.478 0.350 18944 6027 1 19 . 1 1 25 25 GLU N N 25 120.791 120.791 119.457 1.334 18944 6028 1 19 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.175 0.084 18944 6029 1 19 . 1 1 25 25 GLU CA C 25 58.720 58.720 59.464 -0.744 18944 6030 1 19 . 1 1 25 25 GLU CB C 25 28.575 28.575 30.006 -1.431 18944 6031 1 19 . 1 1 25 25 GLU H H 25 8.153 8.153 8.164 -0.011 18944 6032 1 19 . 1 1 26 26 PHE N N 26 115.094 115.094 117.883 -2.789 18944 6033 1 19 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.793 -0.301 18944 6034 1 19 . 1 1 26 26 PHE CA C 26 56.446 56.446 59.588 -3.142 18944 6035 1 19 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.354 2.468 18944 6036 1 19 . 1 1 26 26 PHE H H 26 7.404 7.404 7.547 -0.143 18944 6037 1 19 . 1 1 27 27 HIS N N 27 115.592 115.592 117.814 -2.222 18944 6038 1 19 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.332 -0.279 18944 6039 1 19 . 1 1 27 27 HIS CA C 27 58.490 58.490 58.829 -0.339 18944 6040 1 19 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.325 -1.495 18944 6041 1 19 . 1 1 27 27 HIS H H 27 8.057 8.057 7.887 0.170 18944 6042 1 19 . 1 1 28 28 CYS N N 28 116.364 116.364 115.927 0.437 18944 6043 1 19 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.337 -0.312 18944 6044 1 19 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.642 -1.019 18944 6045 1 19 . 1 1 28 28 CYS CB C 28 29.921 29.921 30.150 -0.229 18944 6046 1 19 . 1 1 28 28 CYS H H 28 7.972 7.972 7.744 0.228 18944 6047 1 19 . 1 1 29 29 LYS N N 29 122.054 122.054 119.583 2.471 18944 6048 1 19 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.060 0.240 18944 6049 1 19 . 1 1 29 29 LYS CA C 29 56.241 56.241 56.773 -0.532 18944 6050 1 19 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.807 2.382 18944 6051 1 19 . 1 1 29 29 LYS H H 29 8.521 8.521 7.637 0.884 18944 6052 1 19 . 1 1 30 30 LYS N N 30 118.250 118.250 117.195 1.055 18944 6053 1 19 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.052 -0.349 18944 6054 1 19 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.117 -0.300 18944 6055 1 19 . 1 1 30 30 LYS CB C 30 32.454 32.454 34.148 -1.694 18944 6056 1 19 . 1 1 30 30 LYS H H 30 7.830 7.830 8.295 -0.465 18944 6057 1 19 . 1 1 31 31 TYR N N 31 112.854 112.854 115.044 -2.190 18944 6058 1 19 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.801 -0.321 18944 6059 1 19 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.210 0.162 18944 6060 1 19 . 1 1 31 31 TYR CB C 31 41.159 41.159 38.974 2.185 18944 6061 1 19 . 1 1 31 31 TYR H H 31 7.294 7.294 7.262 0.032 18944 6062 1 19 . 1 1 32 32 LEU N N 32 122.615 122.615 124.567 -1.952 18944 6063 1 19 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.362 0.348 18944 6064 1 19 . 1 1 32 32 LEU CA C 32 52.902 52.902 54.014 -1.112 18944 6065 1 19 . 1 1 32 32 LEU CB C 32 44.626 44.626 41.978 2.648 18944 6066 1 19 . 1 1 32 32 LEU H H 32 8.426 8.426 8.099 0.327 18944 6067 1 19 . 1 1 33 33 SER N N 33 119.224 119.224 115.800 3.424 18944 6068 1 19 . 1 1 33 33 SER HA H 33 4.583 4.583 4.375 0.208 18944 6069 1 19 . 1 1 33 33 SER CA C 33 56.483 56.483 57.718 -1.235 18944 6070 1 19 . 1 1 33 33 SER CB C 33 65.258 65.258 64.404 0.854 18944 6071 1 19 . 1 1 33 33 SER H H 33 9.322 9.322 8.149 1.173 18944 6072 1 19 . 1 1 34 34 LEU N N 34 121.601 121.601 120.400 1.201 18944 6073 1 19 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.106 -0.129 18944 6074 1 19 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.414 0.457 18944 6075 1 19 . 1 1 34 34 LEU CB C 34 41.363 41.363 40.925 0.438 18944 6076 1 19 . 1 1 34 34 LEU H H 34 8.808 8.808 8.662 0.146 18944 6077 1 19 . 1 1 35 35 THR N N 35 113.816 113.816 112.840 0.976 18944 6078 1 19 . 1 1 35 35 THR HA H 35 3.944 3.944 3.989 -0.045 18944 6079 1 19 . 1 1 35 35 THR CA C 35 65.721 65.721 66.288 -0.567 18944 6080 1 19 . 1 1 35 35 THR CB C 35 68.367 68.367 68.298 0.069 18944 6081 1 19 . 1 1 35 35 THR H H 35 8.104 8.104 8.294 -0.190 18944 6082 1 19 . 1 1 36 36 GLU N N 36 123.125 123.125 120.654 2.471 18944 6083 1 19 . 1 1 36 36 GLU HA H 36 3.977 3.977 3.883 0.094 18944 6084 1 19 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.823 -0.945 18944 6085 1 19 . 1 1 36 36 GLU CB C 36 30.407 30.407 28.771 1.636 18944 6086 1 19 . 1 1 36 36 GLU H H 36 7.691 7.691 8.590 -0.899 18944 6087 1 19 . 1 1 37 37 ARG N N 37 119.258 119.258 119.807 -0.549 18944 6088 1 19 . 1 1 37 37 ARG HA H 37 3.756 3.756 4.005 -0.249 18944 6089 1 19 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.180 0.841 18944 6090 1 19 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.177 0.678 18944 6091 1 19 . 1 1 37 37 ARG H H 37 8.726 8.726 8.469 0.257 18944 6092 1 19 . 1 1 38 38 SER N N 38 113.573 113.573 115.793 -2.220 18944 6093 1 19 . 1 1 38 38 SER HA H 38 4.073 4.073 4.057 0.016 18944 6094 1 19 . 1 1 38 38 SER CA C 38 61.865 61.865 62.093 -0.228 18944 6095 1 19 . 1 1 38 38 SER CB C 38 62.685 62.685 62.680 0.005 18944 6096 1 19 . 1 1 38 38 SER H H 38 8.039 8.039 7.838 0.201 18944 6097 1 19 . 1 1 39 39 GLN N N 39 121.912 121.912 120.411 1.501 18944 6098 1 19 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.891 0.224 18944 6099 1 19 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.125 -0.040 18944 6100 1 19 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.679 -0.512 18944 6101 1 19 . 1 1 39 39 GLN H H 39 8.033 8.033 8.010 0.023 18944 6102 1 19 . 1 1 40 40 ILE N N 40 121.716 121.716 119.882 1.834 18944 6103 1 19 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.560 0.319 18944 6104 1 19 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.219 -0.858 18944 6105 1 19 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.507 0.622 18944 6106 1 19 . 1 1 40 40 ILE H H 40 8.205 8.205 8.184 0.021 18944 6107 1 19 . 1 1 41 41 ALA N N 41 122.005 122.005 123.122 -1.117 18944 6108 1 19 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.953 -0.290 18944 6109 1 19 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.299 0.648 18944 6110 1 19 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.292 -0.776 18944 6111 1 19 . 1 1 41 41 ALA H H 41 8.301 8.301 8.123 0.178 18944 6112 1 19 . 1 1 42 42 HIS N N 42 114.193 114.193 117.972 -3.779 18944 6113 1 19 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.256 0.138 18944 6114 1 19 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.288 0.360 18944 6115 1 19 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.020 -1.149 18944 6116 1 19 . 1 1 42 42 HIS H H 42 8.091 8.091 8.526 -0.435 18944 6117 1 19 . 1 1 43 43 ALA N N 43 122.121 122.121 123.106 -0.985 18944 6118 1 19 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.153 -0.087 18944 6119 1 19 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.930 -0.074 18944 6120 1 19 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.915 -0.598 18944 6121 1 19 . 1 1 43 43 ALA H H 43 8.167 8.167 8.589 -0.422 18944 6122 1 19 . 1 1 44 44 LEU N N 44 114.117 114.117 115.865 -1.748 18944 6123 1 19 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.523 -0.196 18944 6124 1 19 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.054 0.117 18944 6125 1 19 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.341 0.131 18944 6126 1 19 . 1 1 44 44 LEU H H 44 8.037 8.037 7.637 0.400 18944 6127 1 19 . 1 1 45 45 LYS N N 45 117.081 117.081 117.228 -0.147 18944 6128 1 19 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.901 0.047 18944 6129 1 19 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.491 -0.277 18944 6130 1 19 . 1 1 45 45 LYS CB C 45 28.359 28.359 31.174 -2.816 18944 6131 1 19 . 1 1 45 45 LYS H H 45 7.806 7.806 7.518 0.288 18944 6132 1 19 . 1 1 46 46 LEU N N 46 119.781 119.781 117.886 1.895 18944 6133 1 19 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.302 0.477 18944 6134 1 19 . 1 1 46 46 LEU CA C 46 52.375 52.375 55.121 -2.746 18944 6135 1 19 . 1 1 46 46 LEU CB C 46 47.430 47.430 43.182 4.247 18944 6136 1 19 . 1 1 46 46 LEU H H 46 8.393 8.393 7.753 0.640 18944 6137 1 19 . 1 1 47 47 SER N N 47 114.982 114.982 112.536 2.446 18944 6138 1 19 . 1 1 47 47 SER HA H 47 4.772 4.772 4.703 0.069 18944 6139 1 19 . 1 1 47 47 SER CA C 47 56.659 56.659 56.508 0.151 18944 6140 1 19 . 1 1 47 47 SER CB C 47 64.905 64.905 66.149 -1.244 18944 6141 1 19 . 1 1 47 47 SER H H 47 8.817 8.817 8.066 0.751 18944 6142 1 19 . 1 1 48 48 GLU N N 48 122.917 122.917 123.172 -0.255 18944 6143 1 19 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.012 -0.349 18944 6144 1 19 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.236 0.906 18944 6145 1 19 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.422 -0.430 18944 6146 1 19 . 1 1 48 48 GLU H H 48 9.232 9.232 9.054 0.178 18944 6147 1 19 . 1 1 49 49 VAL N N 49 118.250 118.250 119.933 -1.683 18944 6148 1 19 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.808 -0.038 18944 6149 1 19 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.588 -0.895 18944 6150 1 19 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.457 0.363 18944 6151 1 19 . 1 1 49 49 VAL H H 49 8.015 8.015 8.125 -0.110 18944 6152 1 19 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.285 -0.130 18944 6153 1 19 . 1 1 50 50 GLN CA C 50 59.241 59.241 58.858 0.383 18944 6154 1 19 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.173 1.344 18944 6155 1 19 . 1 1 50 50 GLN H H 50 7.714 7.714 7.809 -0.095 18944 6156 1 19 . 1 1 51 51 VAL N N 51 119.155 119.155 120.608 -1.453 18944 6157 1 19 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.821 -0.128 18944 6158 1 19 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.867 0.537 18944 6159 1 19 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.860 1.333 18944 6160 1 19 . 1 1 51 51 VAL H H 51 7.705 7.705 8.315 -0.610 18944 6161 1 19 . 1 1 52 52 LYS N N 52 121.165 121.165 120.891 0.274 18944 6162 1 19 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.225 0.048 18944 6163 1 19 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.702 0.144 18944 6164 1 19 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.513 0.682 18944 6165 1 19 . 1 1 52 52 LYS H H 52 8.545 8.545 8.139 0.406 18944 6166 1 19 . 1 1 53 53 ILE N N 53 120.436 120.436 119.305 1.131 18944 6167 1 19 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.755 0.074 18944 6168 1 19 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.254 -1.022 18944 6169 1 19 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.779 0.199 18944 6170 1 19 . 1 1 53 53 ILE H H 53 8.733 8.733 8.587 0.146 18944 6171 1 19 . 1 1 54 54 TRP N N 54 122.076 122.076 121.684 0.392 18944 6172 1 19 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.084 -0.070 18944 6173 1 19 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.853 1.549 18944 6174 1 19 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.490 -0.633 18944 6175 1 19 . 1 1 54 54 TRP H H 54 8.522 8.522 8.010 0.512 18944 6176 1 19 . 1 1 55 55 PHE N N 55 119.314 119.314 117.818 1.496 18944 6177 1 19 . 1 1 55 55 PHE HA H 55 3.718 3.718 4.046 -0.328 18944 6178 1 19 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.866 0.507 18944 6179 1 19 . 1 1 55 55 PHE CB C 55 39.325 39.325 39.027 0.298 18944 6180 1 19 . 1 1 55 55 PHE H H 55 9.087 9.087 8.841 0.246 18944 6181 1 19 . 1 1 56 56 GLN N N 56 119.067 119.067 118.317 0.750 18944 6182 1 19 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.912 0.083 18944 6183 1 19 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.710 -0.232 18944 6184 1 19 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.491 0.037 18944 6185 1 19 . 1 1 56 56 GLN H H 56 8.148 8.148 8.888 -0.740 18944 6186 1 19 . 1 1 57 57 ASN N N 57 119.662 119.662 118.290 1.372 18944 6187 1 19 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.414 -0.060 18944 6188 1 19 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.952 -0.635 18944 6189 1 19 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.117 -0.392 18944 6190 1 19 . 1 1 57 57 ASN H H 57 8.396 8.396 8.096 0.300 18944 6191 1 19 . 1 1 58 58 ARG N N 58 124.411 124.411 119.799 4.612 18944 6192 1 19 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.634 -0.126 18944 6193 1 19 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.116 -1.971 18944 6194 1 19 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.038 -1.081 18944 6195 1 19 . 1 1 58 58 ARG H H 58 8.454 8.454 7.823 0.631 18944 6196 1 19 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.449 -0.095 18944 6197 1 19 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.550 0.909 18944 6198 1 19 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.339 1.679 18944 6199 1 19 . 1 1 60 60 ALA N N 60 121.683 121.683 121.870 -0.187 18944 6200 1 19 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.043 0.152 18944 6201 1 19 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.400 -0.454 18944 6202 1 19 . 1 1 60 60 ALA CB C 60 17.671 17.671 17.913 -0.242 18944 6203 1 19 . 1 1 60 60 ALA H H 60 7.524 7.524 7.837 -0.313 18944 6204 1 19 . 1 1 61 61 LYS N N 61 118.243 118.243 117.995 0.248 18944 6205 1 19 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.990 0.036 18944 6206 1 19 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.459 -0.855 18944 6207 1 19 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.393 0.334 18944 6208 1 19 . 1 1 61 61 LYS H H 61 7.352 7.352 7.497 -0.145 18944 6209 1 19 . 1 1 62 62 TRP N N 62 121.102 121.102 120.434 0.668 18944 6210 1 19 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.385 0.258 18944 6211 1 19 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.241 -1.318 18944 6212 1 19 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.520 0.066 18944 6213 1 19 . 1 1 62 62 TRP H H 62 7.934 7.934 7.490 0.444 18944 6214 1 19 . 1 1 63 63 LYS N N 63 118.454 118.454 118.572 -0.118 18944 6215 1 19 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.439 0.218 18944 6216 1 19 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.819 -2.111 18944 6217 1 19 . 1 1 63 63 LYS CB C 63 32.673 32.673 32.070 0.603 18944 6218 1 19 . 1 1 63 63 LYS H H 63 8.328 8.328 8.554 -0.226 18944 6219 1 19 . 1 1 64 64 ARG N N 64 119.371 119.371 116.369 3.002 18944 6220 1 19 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.093 0.001 18944 6221 1 19 . 1 1 64 64 ARG CA C 64 57.575 57.575 58.591 -1.016 18944 6222 1 19 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.765 0.277 18944 6223 1 19 . 1 1 64 64 ARG H H 64 7.605 7.605 7.791 -0.186 18944 6224 1 19 . 1 1 65 65 ILE N N 65 120.717 120.717 119.911 0.806 18944 6225 1 19 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.954 0.040 18944 6226 1 19 . 1 1 65 65 ILE CA C 65 62.122 62.122 64.171 -2.049 18944 6227 1 19 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.578 -0.378 18944 6228 1 19 . 1 1 65 65 ILE H H 65 7.933 7.933 7.466 0.467 18944 6229 1 19 . 1 1 66 66 LYS N N 66 123.684 123.684 120.031 3.653 18944 6230 1 19 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.058 0.082 18944 6231 1 19 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.314 -1.623 18944 6232 1 19 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.375 0.981 18944 6233 1 19 . 1 1 66 66 LYS H H 66 8.180 8.180 8.061 0.119 18944 6234 1 19 . 1 1 67 67 ALA N N 67 123.678 123.678 120.508 3.170 18944 6235 1 19 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.231 0.043 18944 6236 1 19 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.255 0.293 18944 6237 1 19 . 1 1 67 67 ALA CB C 67 19.080 19.080 19.052 0.028 18944 6238 1 19 . 1 1 67 67 ALA H H 67 7.959 7.959 7.808 0.151 18944 6239 1 19 . 1 1 68 68 GLY N N 68 107.345 107.345 107.479 -0.134 18944 6240 1 19 . 1 1 68 68 GLY CA C 68 45.274 45.274 44.901 0.372 18944 6241 1 19 . 1 1 68 68 GLY H H 68 8.157 8.157 7.886 0.271 18944 6242 1 19 . 1 1 69 69 ASN N N 69 118.854 118.854 117.507 1.347 18944 6243 1 19 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.857 -0.100 18944 6244 1 19 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.110 -0.044 18944 6245 1 19 . 1 1 69 69 ASN CB C 69 38.948 38.948 40.414 -1.466 18944 6246 1 19 . 1 1 69 69 ASN H H 69 8.230 8.230 8.107 0.123 18944 6247 1 19 . 1 1 70 70 VAL N N 70 119.499 119.499 120.851 -1.352 18944 6248 1 19 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.344 -0.138 18944 6249 1 19 . 1 1 70 70 VAL CA C 70 62.062 62.062 62.255 -0.194 18944 6250 1 19 . 1 1 70 70 VAL CB C 70 32.804 32.804 30.797 2.007 18944 6251 1 19 . 1 1 70 70 VAL H H 70 8.109 8.109 8.776 -0.667 18944 6252 1 20 . 1 1 3 3 PRO HA H 3 4.440 4.440 4.486 -0.046 18944 6253 1 20 . 1 1 3 3 PRO CA C 3 63.301 63.301 63.037 0.264 18944 6254 1 20 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.419 -0.549 18944 6255 1 20 . 1 1 4 4 GLY N N 4 109.613 109.613 105.926 3.687 18944 6256 1 20 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.125 1.119 18944 6257 1 20 . 1 1 4 4 GLY H H 4 8.536 8.536 7.692 0.844 18944 6258 1 20 . 1 1 5 5 GLY N N 5 108.797 108.797 107.952 0.845 18944 6259 1 20 . 1 1 5 5 GLY CA C 5 45.252 45.252 44.674 0.578 18944 6260 1 20 . 1 1 5 5 GLY H H 5 8.298 8.298 8.187 0.111 18944 6261 1 20 . 1 1 6 6 LYS N N 6 120.988 120.988 122.290 -1.302 18944 6262 1 20 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.534 -0.587 18944 6263 1 20 . 1 1 6 6 LYS CA C 6 57.258 57.258 55.765 1.493 18944 6264 1 20 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.666 0.244 18944 6265 1 20 . 1 1 6 6 LYS H H 6 8.313 8.313 8.197 0.116 18944 6266 1 20 . 1 1 7 7 SER N N 7 116.912 116.912 115.612 1.300 18944 6267 1 20 . 1 1 7 7 SER HA H 7 4.420 4.420 4.524 -0.104 18944 6268 1 20 . 1 1 7 7 SER CA C 7 58.338 58.338 58.295 0.043 18944 6269 1 20 . 1 1 7 7 SER CB C 7 63.540 63.540 64.534 -0.994 18944 6270 1 20 . 1 1 7 7 SER H H 7 8.345 8.345 7.998 0.347 18944 6271 1 20 . 1 1 8 8 ARG N N 8 123.496 123.496 121.255 2.241 18944 6272 1 20 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.063 0.276 18944 6273 1 20 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.218 -0.180 18944 6274 1 20 . 1 1 8 8 ARG CB C 8 30.596 30.596 28.144 2.452 18944 6275 1 20 . 1 1 8 8 ARG H H 8 8.410 8.410 8.508 -0.098 18944 6276 1 20 . 1 1 9 9 ARG N N 9 122.569 122.569 120.381 2.188 18944 6277 1 20 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.156 0.152 18944 6278 1 20 . 1 1 9 9 ARG CA C 9 55.979 55.979 57.114 -1.135 18944 6279 1 20 . 1 1 9 9 ARG CB C 9 30.700 30.700 30.676 0.024 18944 6280 1 20 . 1 1 9 9 ARG H H 9 8.340 8.340 8.606 -0.266 18944 6281 1 20 . 1 1 10 10 ARG N N 10 123.464 123.464 113.928 9.536 18944 6282 1 20 . 1 1 10 10 ARG HA H 10 4.328 4.328 3.970 0.358 18944 6283 1 20 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.629 -1.703 18944 6284 1 20 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.543 2.278 18944 6285 1 20 . 1 1 10 10 ARG H H 10 8.457 8.457 8.451 0.006 18944 6286 1 20 . 1 1 11 11 ARG N N 11 123.477 123.477 119.241 4.236 18944 6287 1 20 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.449 -0.060 18944 6288 1 20 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.324 0.645 18944 6289 1 20 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.313 -1.474 18944 6290 1 20 . 1 1 11 11 ARG H H 11 8.540 8.540 7.680 0.860 18944 6291 1 20 . 1 1 12 12 THR N N 12 116.338 116.338 114.919 1.419 18944 6292 1 20 . 1 1 12 12 THR HA H 12 4.289 4.289 4.059 0.230 18944 6293 1 20 . 1 1 12 12 THR CA C 12 61.393 61.393 62.876 -1.483 18944 6294 1 20 . 1 1 12 12 THR CB C 12 69.660 69.660 68.500 1.160 18944 6295 1 20 . 1 1 12 12 THR H H 12 8.249 8.249 8.275 -0.026 18944 6296 1 20 . 1 1 13 13 ALA N N 13 127.182 127.182 128.158 -0.976 18944 6297 1 20 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.736 0.569 18944 6298 1 20 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.967 -1.943 18944 6299 1 20 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.250 1.404 18944 6300 1 20 . 1 1 13 13 ALA H H 13 8.275 8.275 8.445 -0.170 18944 6301 1 20 . 1 1 14 14 PHE N N 14 118.661 118.661 117.025 1.636 18944 6302 1 20 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.137 -0.174 18944 6303 1 20 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.220 1.038 18944 6304 1 20 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.475 -0.756 18944 6305 1 20 . 1 1 14 14 PHE H H 14 8.060 8.060 7.991 0.069 18944 6306 1 20 . 1 1 15 15 THR N N 15 113.672 113.672 109.656 4.016 18944 6307 1 20 . 1 1 15 15 THR HA H 15 4.522 4.522 4.874 -0.352 18944 6308 1 20 . 1 1 15 15 THR CA C 15 60.272 60.272 59.714 0.558 18944 6309 1 20 . 1 1 15 15 THR CB C 15 70.919 70.919 71.730 -0.811 18944 6310 1 20 . 1 1 15 15 THR H H 15 9.139 9.139 7.732 1.407 18944 6311 1 20 . 1 1 16 16 SER N N 16 116.722 116.722 115.702 1.020 18944 6312 1 20 . 1 1 16 16 SER HA H 16 3.934 3.934 4.088 -0.154 18944 6313 1 20 . 1 1 16 16 SER CA C 16 62.071 62.071 61.796 0.275 18944 6314 1 20 . 1 1 16 16 SER CB C 16 61.814 61.814 63.065 -1.251 18944 6315 1 20 . 1 1 16 16 SER H H 16 9.094 9.094 8.768 0.326 18944 6316 1 20 . 1 1 17 17 GLU N N 17 120.784 120.784 122.123 -1.339 18944 6317 1 20 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.015 0.007 18944 6318 1 20 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.502 0.625 18944 6319 1 20 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.315 -0.207 18944 6320 1 20 . 1 1 17 17 GLU H H 17 8.673 8.673 7.946 0.727 18944 6321 1 20 . 1 1 18 18 GLN N N 18 118.707 118.707 119.133 -0.426 18944 6322 1 20 . 1 1 18 18 GLN HA H 18 3.809 3.809 3.925 -0.116 18944 6323 1 20 . 1 1 18 18 GLN CA C 18 58.961 58.961 59.001 -0.040 18944 6324 1 20 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.940 -0.960 18944 6325 1 20 . 1 1 18 18 GLN H H 18 7.748 7.748 7.634 0.114 18944 6326 1 20 . 1 1 19 19 LEU N N 19 117.129 117.129 118.183 -1.054 18944 6327 1 20 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.686 -0.057 18944 6328 1 20 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.841 0.954 18944 6329 1 20 . 1 1 19 19 LEU CB C 19 41.611 41.611 41.717 -0.106 18944 6330 1 20 . 1 1 19 19 LEU H H 19 8.109 8.109 8.224 -0.115 18944 6331 1 20 . 1 1 20 20 LEU N N 20 119.459 119.459 120.555 -1.096 18944 6332 1 20 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.093 -0.091 18944 6333 1 20 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.715 0.288 18944 6334 1 20 . 1 1 20 20 LEU CB C 20 41.958 41.958 41.546 0.412 18944 6335 1 20 . 1 1 20 20 LEU H H 20 7.948 7.948 7.434 0.514 18944 6336 1 20 . 1 1 21 21 GLU N N 21 118.593 118.593 118.105 0.488 18944 6337 1 20 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.047 0.039 18944 6338 1 20 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.909 -0.479 18944 6339 1 20 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.439 0.233 18944 6340 1 20 . 1 1 21 21 GLU H H 21 7.564 7.564 8.313 -0.749 18944 6341 1 20 . 1 1 22 22 LEU N N 22 122.405 122.405 118.754 3.651 18944 6342 1 20 . 1 1 22 22 LEU HA H 22 3.516 3.516 4.050 -0.534 18944 6343 1 20 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.195 1.034 18944 6344 1 20 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.187 -3.191 18944 6345 1 20 . 1 1 22 22 LEU H H 22 8.148 8.148 7.291 0.857 18944 6346 1 20 . 1 1 23 23 GLU N N 23 118.202 118.202 119.087 -0.885 18944 6347 1 20 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.162 0.120 18944 6348 1 20 . 1 1 23 23 GLU CA C 23 58.816 58.816 59.096 -0.280 18944 6349 1 20 . 1 1 23 23 GLU CB C 23 28.954 28.954 28.958 -0.004 18944 6350 1 20 . 1 1 23 23 GLU H H 23 7.853 7.853 7.593 0.260 18944 6351 1 20 . 1 1 24 24 LYS N N 24 120.955 120.955 120.648 0.307 18944 6352 1 20 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.018 0.008 18944 6353 1 20 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.988 -0.134 18944 6354 1 20 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.357 -0.067 18944 6355 1 20 . 1 1 24 24 LYS H H 24 7.828 7.828 7.787 0.041 18944 6356 1 20 . 1 1 25 25 GLU N N 25 120.791 120.791 118.653 2.138 18944 6357 1 20 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.243 0.016 18944 6358 1 20 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.474 0.246 18944 6359 1 20 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.702 -1.127 18944 6360 1 20 . 1 1 25 25 GLU H H 25 8.153 8.153 7.853 0.300 18944 6361 1 20 . 1 1 26 26 PHE N N 26 115.094 115.094 118.059 -2.965 18944 6362 1 20 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.693 -0.201 18944 6363 1 20 . 1 1 26 26 PHE CA C 26 56.446 56.446 57.353 -0.907 18944 6364 1 20 . 1 1 26 26 PHE CB C 26 41.822 41.822 38.535 3.287 18944 6365 1 20 . 1 1 26 26 PHE H H 26 7.404 7.404 7.853 -0.449 18944 6366 1 20 . 1 1 27 27 HIS N N 27 115.592 115.592 118.840 -3.248 18944 6367 1 20 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.327 -0.274 18944 6368 1 20 . 1 1 27 27 HIS CA C 27 58.490 58.490 59.727 -1.237 18944 6369 1 20 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.760 -1.930 18944 6370 1 20 . 1 1 27 27 HIS H H 27 8.057 8.057 7.614 0.443 18944 6371 1 20 . 1 1 28 28 CYS N N 28 116.364 116.364 116.092 0.272 18944 6372 1 20 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.372 -0.347 18944 6373 1 20 . 1 1 28 28 CYS CA C 28 58.623 58.623 60.382 -1.759 18944 6374 1 20 . 1 1 28 28 CYS CB C 28 29.921 29.921 27.570 2.351 18944 6375 1 20 . 1 1 28 28 CYS H H 28 7.972 7.972 8.527 -0.555 18944 6376 1 20 . 1 1 29 29 LYS N N 29 122.054 122.054 119.902 2.152 18944 6377 1 20 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.250 0.050 18944 6378 1 20 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.465 0.776 18944 6379 1 20 . 1 1 29 29 LYS CB C 29 35.189 35.189 33.532 1.657 18944 6380 1 20 . 1 1 29 29 LYS H H 29 8.521 8.521 8.010 0.511 18944 6381 1 20 . 1 1 30 30 LYS N N 30 118.250 118.250 117.815 0.435 18944 6382 1 20 . 1 1 30 30 LYS HA H 30 3.703 3.703 4.164 -0.461 18944 6383 1 20 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.492 -0.675 18944 6384 1 20 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.037 -0.583 18944 6385 1 20 . 1 1 30 30 LYS H H 30 7.830 7.830 8.133 -0.303 18944 6386 1 20 . 1 1 31 31 TYR N N 31 112.854 112.854 114.906 -2.052 18944 6387 1 20 . 1 1 31 31 TYR HA H 31 4.480 4.480 5.099 -0.619 18944 6388 1 20 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.011 0.361 18944 6389 1 20 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.532 1.627 18944 6390 1 20 . 1 1 31 31 TYR H H 31 7.294 7.294 7.094 0.200 18944 6391 1 20 . 1 1 32 32 LEU N N 32 122.615 122.615 120.571 2.044 18944 6392 1 20 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.828 -0.118 18944 6393 1 20 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.462 -0.559 18944 6394 1 20 . 1 1 32 32 LEU CB C 32 44.626 44.626 44.769 -0.143 18944 6395 1 20 . 1 1 32 32 LEU H H 32 8.426 8.426 8.372 0.054 18944 6396 1 20 . 1 1 33 33 SER N N 33 119.224 119.224 116.357 2.867 18944 6397 1 20 . 1 1 33 33 SER HA H 33 4.583 4.583 4.474 0.109 18944 6398 1 20 . 1 1 33 33 SER CA C 33 56.483 56.483 57.528 -1.045 18944 6399 1 20 . 1 1 33 33 SER CB C 33 65.258 65.258 64.259 0.999 18944 6400 1 20 . 1 1 33 33 SER H H 33 9.322 9.322 8.666 0.656 18944 6401 1 20 . 1 1 34 34 LEU N N 34 121.601 121.601 121.468 0.133 18944 6402 1 20 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.114 -0.137 18944 6403 1 20 . 1 1 34 34 LEU CA C 34 58.871 58.871 57.759 1.112 18944 6404 1 20 . 1 1 34 34 LEU CB C 34 41.363 41.363 42.154 -0.791 18944 6405 1 20 . 1 1 34 34 LEU H H 34 8.808 8.808 8.743 0.065 18944 6406 1 20 . 1 1 35 35 THR N N 35 113.816 113.816 114.529 -0.713 18944 6407 1 20 . 1 1 35 35 THR HA H 35 3.944 3.944 4.078 -0.134 18944 6408 1 20 . 1 1 35 35 THR CA C 35 65.721 65.721 66.252 -0.531 18944 6409 1 20 . 1 1 35 35 THR CB C 35 68.367 68.367 68.390 -0.023 18944 6410 1 20 . 1 1 35 35 THR H H 35 8.104 8.104 7.973 0.131 18944 6411 1 20 . 1 1 36 36 GLU N N 36 123.125 123.125 121.248 1.877 18944 6412 1 20 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.025 -0.048 18944 6413 1 20 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.837 -0.959 18944 6414 1 20 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.011 1.397 18944 6415 1 20 . 1 1 36 36 GLU H H 36 7.691 7.691 8.824 -1.133 18944 6416 1 20 . 1 1 37 37 ARG N N 37 119.258 119.258 119.302 -0.044 18944 6417 1 20 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.872 -0.116 18944 6418 1 20 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.252 0.769 18944 6419 1 20 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.122 0.733 18944 6420 1 20 . 1 1 37 37 ARG H H 37 8.726 8.726 7.619 1.107 18944 6421 1 20 . 1 1 38 38 SER N N 38 113.573 113.573 114.692 -1.119 18944 6422 1 20 . 1 1 38 38 SER HA H 38 4.073 4.073 4.107 -0.034 18944 6423 1 20 . 1 1 38 38 SER CA C 38 61.865 61.865 61.391 0.474 18944 6424 1 20 . 1 1 38 38 SER CB C 38 62.685 62.685 62.687 -0.002 18944 6425 1 20 . 1 1 38 38 SER H H 38 8.039 8.039 7.677 0.362 18944 6426 1 20 . 1 1 39 39 GLN N N 39 121.912 121.912 121.053 0.859 18944 6427 1 20 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.871 0.244 18944 6428 1 20 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.128 -0.043 18944 6429 1 20 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.765 -0.598 18944 6430 1 20 . 1 1 39 39 GLN H H 39 8.033 8.033 7.577 0.456 18944 6431 1 20 . 1 1 40 40 ILE N N 40 121.716 121.716 120.236 1.480 18944 6432 1 20 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.633 0.246 18944 6433 1 20 . 1 1 40 40 ILE CA C 40 64.361 64.361 65.376 -1.015 18944 6434 1 20 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.626 0.503 18944 6435 1 20 . 1 1 40 40 ILE H H 40 8.205 8.205 7.883 0.322 18944 6436 1 20 . 1 1 41 41 ALA N N 41 122.005 122.005 122.814 -0.809 18944 6437 1 20 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.932 -0.269 18944 6438 1 20 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.293 0.654 18944 6439 1 20 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.068 -0.552 18944 6440 1 20 . 1 1 41 41 ALA H H 41 8.301 8.301 7.918 0.383 18944 6441 1 20 . 1 1 42 42 HIS N N 42 114.193 114.193 118.638 -4.445 18944 6442 1 20 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.150 0.244 18944 6443 1 20 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.808 -0.159 18944 6444 1 20 . 1 1 42 42 HIS CB C 42 28.871 28.871 29.948 -1.077 18944 6445 1 20 . 1 1 42 42 HIS H H 42 8.091 8.091 8.582 -0.491 18944 6446 1 20 . 1 1 43 43 ALA N N 43 122.121 122.121 122.308 -0.187 18944 6447 1 20 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.113 -0.047 18944 6448 1 20 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.879 -0.023 18944 6449 1 20 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.727 -0.410 18944 6450 1 20 . 1 1 43 43 ALA H H 43 8.167 8.167 8.292 -0.125 18944 6451 1 20 . 1 1 44 44 LEU N N 44 114.117 114.117 115.049 -0.932 18944 6452 1 20 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.289 0.038 18944 6453 1 20 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.654 -0.483 18944 6454 1 20 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.584 -0.112 18944 6455 1 20 . 1 1 44 44 LEU H H 44 8.037 8.037 7.748 0.289 18944 6456 1 20 . 1 1 45 45 LYS N N 45 117.081 117.081 119.315 -2.234 18944 6457 1 20 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.982 -0.034 18944 6458 1 20 . 1 1 45 45 LYS CA C 45 57.214 57.214 56.849 0.366 18944 6459 1 20 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.261 -1.901 18944 6460 1 20 . 1 1 45 45 LYS H H 45 7.806 7.806 7.755 0.051 18944 6461 1 20 . 1 1 46 46 LEU N N 46 119.781 119.781 119.947 -0.166 18944 6462 1 20 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.578 0.201 18944 6463 1 20 . 1 1 46 46 LEU CA C 46 52.375 52.375 53.147 -0.772 18944 6464 1 20 . 1 1 46 46 LEU CB C 46 47.430 47.430 45.280 2.150 18944 6465 1 20 . 1 1 46 46 LEU H H 46 8.393 8.393 8.156 0.237 18944 6466 1 20 . 1 1 47 47 SER N N 47 114.982 114.982 114.218 0.764 18944 6467 1 20 . 1 1 47 47 SER HA H 47 4.772 4.772 4.708 0.064 18944 6468 1 20 . 1 1 47 47 SER CA C 47 56.659 56.659 57.286 -0.627 18944 6469 1 20 . 1 1 47 47 SER CB C 47 64.905 64.905 65.213 -0.308 18944 6470 1 20 . 1 1 47 47 SER H H 47 8.817 8.817 8.299 0.518 18944 6471 1 20 . 1 1 48 48 GLU N N 48 122.917 122.917 122.596 0.321 18944 6472 1 20 . 1 1 48 48 GLU HA H 48 3.663 3.663 3.968 -0.305 18944 6473 1 20 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.330 0.812 18944 6474 1 20 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.431 -0.438 18944 6475 1 20 . 1 1 48 48 GLU H H 48 9.232 9.232 8.923 0.309 18944 6476 1 20 . 1 1 49 49 VAL N N 49 118.250 118.250 119.140 -0.890 18944 6477 1 20 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.849 -0.079 18944 6478 1 20 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.283 -0.590 18944 6479 1 20 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.099 0.721 18944 6480 1 20 . 1 1 49 49 VAL H H 49 8.015 8.015 8.265 -0.250 18944 6481 1 20 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.210 -0.055 18944 6482 1 20 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.306 -0.065 18944 6483 1 20 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.419 1.098 18944 6484 1 20 . 1 1 50 50 GLN H H 50 7.714 7.714 7.752 -0.038 18944 6485 1 20 . 1 1 51 51 VAL N N 51 119.155 119.155 120.433 -1.278 18944 6486 1 20 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.912 -0.219 18944 6487 1 20 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.306 1.098 18944 6488 1 20 . 1 1 51 51 VAL CB C 51 32.193 32.193 30.962 1.231 18944 6489 1 20 . 1 1 51 51 VAL H H 51 7.705 7.705 7.991 -0.286 18944 6490 1 20 . 1 1 52 52 LYS N N 52 121.165 121.165 120.892 0.273 18944 6491 1 20 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.016 0.257 18944 6492 1 20 . 1 1 52 52 LYS CA C 52 59.846 59.846 60.070 -0.224 18944 6493 1 20 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.426 0.769 18944 6494 1 20 . 1 1 52 52 LYS H H 52 8.545 8.545 8.129 0.416 18944 6495 1 20 . 1 1 53 53 ILE N N 53 120.436 120.436 118.990 1.446 18944 6496 1 20 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.767 0.062 18944 6497 1 20 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.171 -0.940 18944 6498 1 20 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.934 0.044 18944 6499 1 20 . 1 1 53 53 ILE H H 53 8.733 8.733 8.505 0.228 18944 6500 1 20 . 1 1 54 54 TRP N N 54 122.076 122.076 121.457 0.619 18944 6501 1 20 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.148 -0.134 18944 6502 1 20 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.707 1.695 18944 6503 1 20 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.529 -0.672 18944 6504 1 20 . 1 1 54 54 TRP H H 54 8.522 8.522 7.800 0.722 18944 6505 1 20 . 1 1 55 55 PHE N N 55 119.314 119.314 118.227 1.087 18944 6506 1 20 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.867 -0.149 18944 6507 1 20 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.678 0.695 18944 6508 1 20 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.588 0.737 18944 6509 1 20 . 1 1 55 55 PHE H H 55 9.087 9.087 9.221 -0.134 18944 6510 1 20 . 1 1 56 56 GLN N N 56 119.067 119.067 118.706 0.361 18944 6511 1 20 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.947 0.048 18944 6512 1 20 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.472 0.006 18944 6513 1 20 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.389 0.139 18944 6514 1 20 . 1 1 56 56 GLN H H 56 8.148 8.148 8.600 -0.452 18944 6515 1 20 . 1 1 57 57 ASN N N 57 119.662 119.662 118.085 1.577 18944 6516 1 20 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.437 -0.083 18944 6517 1 20 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.868 -0.551 18944 6518 1 20 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.098 -0.373 18944 6519 1 20 . 1 1 57 57 ASN H H 57 8.396 8.396 7.851 0.545 18944 6520 1 20 . 1 1 58 58 ARG N N 58 124.411 124.411 120.669 3.742 18944 6521 1 20 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.583 -0.075 18944 6522 1 20 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.849 -2.704 18944 6523 1 20 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.209 -1.252 18944 6524 1 20 . 1 1 58 58 ARG H H 58 8.454 8.454 7.668 0.786 18944 6525 1 20 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.146 0.208 18944 6526 1 20 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.417 1.042 18944 6527 1 20 . 1 1 59 59 ARG CB C 59 32.018 32.018 29.860 2.158 18944 6528 1 20 . 1 1 60 60 ALA N N 60 121.683 121.683 122.714 -1.031 18944 6529 1 20 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.065 0.130 18944 6530 1 20 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.119 -0.173 18944 6531 1 20 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.109 -0.438 18944 6532 1 20 . 1 1 60 60 ALA H H 60 7.524 7.524 8.024 -0.500 18944 6533 1 20 . 1 1 61 61 LYS N N 61 118.243 118.243 118.731 -0.488 18944 6534 1 20 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.989 0.037 18944 6535 1 20 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.084 -0.479 18944 6536 1 20 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.395 0.332 18944 6537 1 20 . 1 1 61 61 LYS H H 61 7.352 7.352 7.802 -0.450 18944 6538 1 20 . 1 1 62 62 TRP N N 62 121.102 121.102 121.583 -0.481 18944 6539 1 20 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.365 0.278 18944 6540 1 20 . 1 1 62 62 TRP CA C 62 58.923 58.923 61.123 -2.200 18944 6541 1 20 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.659 -0.073 18944 6542 1 20 . 1 1 62 62 TRP H H 62 7.934 7.934 8.162 -0.228 18944 6543 1 20 . 1 1 63 63 LYS N N 63 118.454 118.454 116.546 1.908 18944 6544 1 20 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.689 -0.032 18944 6545 1 20 . 1 1 63 63 LYS CA C 63 57.708 57.708 58.665 -0.957 18944 6546 1 20 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.869 0.804 18944 6547 1 20 . 1 1 63 63 LYS H H 63 8.328 8.328 7.959 0.369 18944 6548 1 20 . 1 1 64 64 ARG N N 64 119.371 119.371 116.997 2.374 18944 6549 1 20 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.300 -0.206 18944 6550 1 20 . 1 1 64 64 ARG CA C 64 57.575 57.575 55.676 1.899 18944 6551 1 20 . 1 1 64 64 ARG CB C 64 30.042 30.042 30.582 -0.540 18944 6552 1 20 . 1 1 64 64 ARG H H 64 7.605 7.605 7.689 -0.084 18944 6553 1 20 . 1 1 65 65 ILE N N 65 120.717 120.717 119.262 1.455 18944 6554 1 20 . 1 1 65 65 ILE HA H 65 3.994 3.994 3.725 0.269 18944 6555 1 20 . 1 1 65 65 ILE CA C 65 62.122 62.122 64.570 -2.448 18944 6556 1 20 . 1 1 65 65 ILE CB C 65 38.200 38.200 38.703 -0.503 18944 6557 1 20 . 1 1 65 65 ILE H H 65 7.933 7.933 7.454 0.479 18944 6558 1 20 . 1 1 66 66 LYS N N 66 123.684 123.684 119.346 4.338 18944 6559 1 20 . 1 1 66 66 LYS HA H 66 4.140 4.140 3.912 0.228 18944 6560 1 20 . 1 1 66 66 LYS CA C 66 56.691 56.691 57.638 -0.947 18944 6561 1 20 . 1 1 66 66 LYS CB C 66 32.356 32.356 31.628 0.728 18944 6562 1 20 . 1 1 66 66 LYS H H 66 8.180 8.180 7.608 0.572 18944 6563 1 20 . 1 1 67 67 ALA N N 67 123.678 123.678 129.096 -5.418 18944 6564 1 20 . 1 1 67 67 ALA HA H 67 4.274 4.274 3.887 0.387 18944 6565 1 20 . 1 1 67 67 ALA CA C 67 52.548 52.548 53.595 -1.047 18944 6566 1 20 . 1 1 67 67 ALA CB C 67 19.080 19.080 17.455 1.625 18944 6567 1 20 . 1 1 67 67 ALA H H 67 7.959 7.959 8.753 -0.794 18944 6568 1 20 . 1 1 68 68 GLY N N 68 107.345 107.345 107.284 0.061 18944 6569 1 20 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.243 0.031 18944 6570 1 20 . 1 1 68 68 GLY H H 68 8.157 8.157 8.136 0.021 18944 6571 1 20 . 1 1 69 69 ASN N N 69 118.854 118.854 122.715 -3.861 18944 6572 1 20 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.368 0.389 18944 6573 1 20 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.620 -0.554 18944 6574 1 20 . 1 1 69 69 ASN CB C 69 38.948 38.948 38.403 0.545 18944 6575 1 20 . 1 1 69 69 ASN H H 69 8.230 8.230 8.702 -0.472 18944 6576 1 20 . 1 1 70 70 VAL N N 70 119.499 119.499 115.296 4.203 18944 6577 1 20 . 1 1 70 70 VAL HA H 70 4.206 4.206 3.656 0.550 18944 6578 1 20 . 1 1 70 70 VAL CA C 70 62.062 62.062 63.638 -1.576 18944 6579 1 20 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.302 1.502 18944 6580 1 20 . 1 1 70 70 VAL H H 70 8.109 8.109 8.022 0.087 18944 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 65 2.488 -0.614 2.430 18944 2 1 1 "Average Difference" HA 65 0.220 0.013 0.222 18944 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18944 4 1 1 "Average Difference" CA 68 1.045 0.302 1.007 18944 5 1 1 "Average Difference" CB 65 1.186 -0.117 1.189 18944 6 1 1 "Average Difference" HN 66 0.451 -0.112 0.440 18944 7 1 2 "Average Difference" N 65 2.204 -0.463 2.172 18944 8 1 2 "Average Difference" HA 65 0.190 0.014 0.191 18944 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18944 10 1 2 "Average Difference" CA 68 1.038 0.289 1.005 18944 11 1 2 "Average Difference" CB 65 1.221 -0.077 1.228 18944 12 1 2 "Average Difference" HN 66 0.377 -0.069 0.373 18944 13 1 3 "Average Difference" N 65 2.277 -0.311 2.273 18944 14 1 3 "Average Difference" HA 65 0.224 -0.002 0.225 18944 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18944 16 1 3 "Average Difference" CA 68 1.120 0.316 1.083 18944 17 1 3 "Average Difference" CB 65 1.415 -0.123 1.420 18944 18 1 3 "Average Difference" HN 66 0.440 -0.083 0.435 18944 19 1 4 "Average Difference" N 65 2.337 -0.255 2.341 18944 20 1 4 "Average Difference" HA 65 0.208 0.033 0.207 18944 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18944 22 1 4 "Average Difference" CA 68 1.002 0.191 0.991 18944 23 1 4 "Average Difference" CB 65 1.061 -0.047 1.068 18944 24 1 4 "Average Difference" HN 66 0.363 -0.078 0.357 18944 25 1 5 "Average Difference" N 65 2.448 -0.752 2.348 18944 26 1 5 "Average Difference" HA 65 0.199 0.069 0.188 18944 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18944 28 1 5 "Average Difference" CA 68 0.919 0.097 0.921 18944 29 1 5 "Average Difference" CB 65 1.140 0.090 1.145 18944 30 1 5 "Average Difference" HN 66 0.364 -0.107 0.351 18944 31 1 6 "Average Difference" N 65 2.541 -0.430 2.524 18944 32 1 6 "Average Difference" HA 65 0.238 0.053 0.233 18944 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18944 34 1 6 "Average Difference" CA 68 1.090 0.241 1.071 18944 35 1 6 "Average Difference" CB 65 1.146 -0.033 1.155 18944 36 1 6 "Average Difference" HN 66 0.473 -0.061 0.473 18944 37 1 7 "Average Difference" N 65 2.117 -0.423 2.091 18944 38 1 7 "Average Difference" HA 65 0.235 0.055 0.230 18944 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18944 40 1 7 "Average Difference" CA 68 1.117 0.083 1.122 18944 41 1 7 "Average Difference" CB 65 1.231 -0.063 1.239 18944 42 1 7 "Average Difference" HN 66 0.458 -0.126 0.443 18944 43 1 8 "Average Difference" N 65 2.211 -0.205 2.219 18944 44 1 8 "Average Difference" HA 65 0.219 0.063 0.211 18944 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18944 46 1 8 "Average Difference" CA 68 1.008 0.086 1.012 18944 47 1 8 "Average Difference" CB 65 1.218 -0.014 1.227 18944 48 1 8 "Average Difference" HN 66 0.406 -0.126 0.389 18944 49 1 9 "Average Difference" N 65 2.608 -0.656 2.544 18944 50 1 9 "Average Difference" HA 65 0.248 0.021 0.249 18944 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18944 52 1 9 "Average Difference" CA 68 1.089 0.230 1.072 18944 53 1 9 "Average Difference" CB 65 1.312 -0.034 1.321 18944 54 1 9 "Average Difference" HN 66 0.459 -0.126 0.444 18944 55 1 10 "Average Difference" N 65 2.071 -0.759 1.942 18944 56 1 10 "Average Difference" HA 65 0.237 0.081 0.224 18944 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18944 58 1 10 "Average Difference" CA 68 1.044 0.131 1.044 18944 59 1 10 "Average Difference" CB 65 1.192 -0.057 1.200 18944 60 1 10 "Average Difference" HN 66 0.423 -0.096 0.415 18944 61 1 11 "Average Difference" N 65 2.108 -0.295 2.103 18944 62 1 11 "Average Difference" HA 65 0.207 0.053 0.202 18944 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18944 64 1 11 "Average Difference" CA 68 1.073 0.041 1.080 18944 65 1 11 "Average Difference" CB 65 1.259 -0.023 1.268 18944 66 1 11 "Average Difference" HN 66 0.408 -0.082 0.403 18944 67 1 12 "Average Difference" N 65 2.331 -0.481 2.298 18944 68 1 12 "Average Difference" HA 65 0.225 0.066 0.217 18944 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18944 70 1 12 "Average Difference" CA 68 1.022 0.168 1.015 18944 71 1 12 "Average Difference" CB 65 1.259 -0.023 1.268 18944 72 1 12 "Average Difference" HN 66 0.445 -0.123 0.432 18944 73 1 13 "Average Difference" N 65 2.371 -0.787 2.254 18944 74 1 13 "Average Difference" HA 65 0.239 0.039 0.237 18944 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18944 76 1 13 "Average Difference" CA 68 1.243 0.195 1.237 18944 77 1 13 "Average Difference" CB 65 1.281 -0.071 1.289 18944 78 1 13 "Average Difference" HN 66 0.480 -0.160 0.456 18944 79 1 14 "Average Difference" N 65 2.564 -0.411 2.550 18944 80 1 14 "Average Difference" HA 65 0.233 0.023 0.233 18944 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18944 82 1 14 "Average Difference" CA 68 0.973 0.236 0.951 18944 83 1 14 "Average Difference" CB 65 1.360 -0.185 1.358 18944 84 1 14 "Average Difference" HN 66 0.449 -0.091 0.443 18944 85 1 15 "Average Difference" N 65 2.468 -0.206 2.478 18944 86 1 15 "Average Difference" HA 65 0.265 0.036 0.265 18944 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18944 88 1 15 "Average Difference" CA 68 1.089 0.230 1.072 18944 89 1 15 "Average Difference" CB 65 1.193 -0.010 1.203 18944 90 1 15 "Average Difference" HN 66 0.403 -0.108 0.392 18944 91 1 16 "Average Difference" N 65 2.452 -0.584 2.400 18944 92 1 16 "Average Difference" HA 65 0.209 0.022 0.210 18944 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18944 94 1 16 "Average Difference" CA 68 1.143 0.201 1.133 18944 95 1 16 "Average Difference" CB 65 1.210 -0.187 1.205 18944 96 1 16 "Average Difference" HN 66 0.472 -0.159 0.448 18944 97 1 17 "Average Difference" N 65 2.446 -0.212 2.456 18944 98 1 17 "Average Difference" HA 65 0.225 0.057 0.220 18944 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18944 100 1 17 "Average Difference" CA 68 1.109 0.051 1.116 18944 101 1 17 "Average Difference" CB 65 1.436 -0.058 1.446 18944 102 1 17 "Average Difference" HN 66 0.417 -0.106 0.407 18944 103 1 18 "Average Difference" N 65 2.505 -0.453 2.483 18944 104 1 18 "Average Difference" HA 65 0.243 0.047 0.240 18944 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18944 106 1 18 "Average Difference" CA 68 1.147 0.177 1.141 18944 107 1 18 "Average Difference" CB 65 1.522 -0.088 1.531 18944 108 1 18 "Average Difference" HN 66 0.456 -0.166 0.427 18944 109 1 19 "Average Difference" N 65 2.313 -0.848 2.168 18944 110 1 19 "Average Difference" HA 65 0.244 0.040 0.243 18944 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18944 112 1 19 "Average Difference" CA 68 1.101 0.262 1.077 18944 113 1 19 "Average Difference" CB 65 1.292 -0.079 1.300 18944 114 1 19 "Average Difference" HN 66 0.476 -0.134 0.461 18944 115 1 20 "Average Difference" N 65 2.402 -0.553 2.356 18944 116 1 20 "Average Difference" HA 65 0.244 0.010 0.246 18944 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18944 118 1 20 "Average Difference" CA 68 1.004 0.186 0.994 18944 119 1 20 "Average Difference" CB 65 1.194 -0.171 1.191 18944 120 1 20 "Average Difference" HN 66 0.486 -0.137 0.470 18944 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 18944 _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 3 3 PRO HA H 3 4.440 4.440 4.464 -0.024 18944 2 1 . 1 1 3 3 PRO CA C 3 63.301 63.301 62.956 0.345 18944 3 1 . 1 1 3 3 PRO CB C 3 31.870 31.870 32.406 -0.536 18944 4 1 . 1 1 4 4 GLY N N 4 109.613 109.613 108.372 1.241 18944 5 1 . 1 1 4 4 GLY CA C 4 45.244 45.244 44.754 0.490 18944 6 1 . 1 1 4 4 GLY H H 4 8.536 8.536 8.366 0.171 18944 7 1 . 1 1 5 5 GLY N N 5 108.797 108.797 108.419 0.378 18944 8 1 . 1 1 5 5 GLY CA C 5 45.252 45.252 45.020 0.232 18944 9 1 . 1 1 5 5 GLY H H 5 8.298 8.298 8.094 0.204 18944 10 1 . 1 1 6 6 LYS N N 6 120.988 120.988 120.509 0.479 18944 11 1 . 1 1 6 6 LYS HA H 6 3.947 3.947 4.373 -0.426 18944 12 1 . 1 1 6 6 LYS CA C 6 57.258 57.258 56.354 0.904 18944 13 1 . 1 1 6 6 LYS CB C 6 32.910 32.910 32.968 -0.058 18944 14 1 . 1 1 6 6 LYS H H 6 8.313 8.313 8.304 0.009 18944 15 1 . 1 1 7 7 SER N N 7 116.912 116.912 116.104 0.808 18944 16 1 . 1 1 7 7 SER HA H 7 4.420 4.420 4.516 -0.096 18944 17 1 . 1 1 7 7 SER CA C 7 58.338 58.338 58.518 -0.180 18944 18 1 . 1 1 7 7 SER CB C 7 63.540 63.540 64.189 -0.649 18944 19 1 . 1 1 7 7 SER H H 7 8.345 8.345 8.306 0.039 18944 20 1 . 1 1 8 8 ARG N N 8 123.496 123.496 120.695 2.801 18944 21 1 . 1 1 8 8 ARG HA H 8 4.339 4.339 4.294 0.045 18944 22 1 . 1 1 8 8 ARG CA C 8 56.038 56.038 56.619 -0.581 18944 23 1 . 1 1 8 8 ARG CB C 8 30.596 30.596 30.222 0.374 18944 24 1 . 1 1 8 8 ARG H H 8 8.410 8.410 8.456 -0.046 18944 25 1 . 1 1 9 9 ARG N N 9 122.569 122.569 119.611 2.958 18944 26 1 . 1 1 9 9 ARG HA H 9 4.308 4.308 4.371 -0.063 18944 27 1 . 1 1 9 9 ARG CA C 9 55.979 55.979 55.904 0.075 18944 28 1 . 1 1 9 9 ARG CB C 9 30.700 30.700 31.425 -0.725 18944 29 1 . 1 1 9 9 ARG H H 9 8.340 8.340 8.257 0.083 18944 30 1 . 1 1 10 10 ARG N N 10 123.464 123.464 120.469 2.995 18944 31 1 . 1 1 10 10 ARG HA H 10 4.328 4.328 4.155 0.173 18944 32 1 . 1 1 10 10 ARG CA C 10 55.926 55.926 57.383 -1.457 18944 33 1 . 1 1 10 10 ARG CB C 10 30.821 30.821 28.563 2.258 18944 34 1 . 1 1 10 10 ARG H H 10 8.457 8.457 8.588 -0.131 18944 35 1 . 1 1 11 11 ARG N N 11 123.477 123.477 119.849 3.628 18944 36 1 . 1 1 11 11 ARG HA H 11 4.389 4.389 4.511 -0.122 18944 37 1 . 1 1 11 11 ARG CA C 11 55.969 55.969 55.617 0.352 18944 38 1 . 1 1 11 11 ARG CB C 11 30.839 30.839 32.239 -1.400 18944 39 1 . 1 1 11 11 ARG H H 11 8.540 8.540 8.325 0.215 18944 40 1 . 1 1 12 12 THR N N 12 116.338 116.338 114.399 1.939 18944 41 1 . 1 1 12 12 THR HA H 12 4.289 4.289 4.399 -0.110 18944 42 1 . 1 1 12 12 THR CA C 12 61.393 61.393 61.795 -0.402 18944 43 1 . 1 1 12 12 THR CB C 12 69.660 69.660 69.775 -0.115 18944 44 1 . 1 1 12 12 THR H H 12 8.249 8.249 7.824 0.425 18944 45 1 . 1 1 13 13 ALA N N 13 127.182 127.182 125.551 1.631 18944 46 1 . 1 1 13 13 ALA HA H 13 4.305 4.305 3.954 0.351 18944 47 1 . 1 1 13 13 ALA CA C 13 52.024 52.024 53.806 -1.782 18944 48 1 . 1 1 13 13 ALA CB C 13 19.654 19.654 18.736 0.918 18944 49 1 . 1 1 13 13 ALA H H 13 8.275 8.275 8.469 -0.194 18944 50 1 . 1 1 14 14 PHE N N 14 118.661 118.661 115.147 3.514 18944 51 1 . 1 1 14 14 PHE HA H 14 4.963 4.963 5.015 -0.052 18944 52 1 . 1 1 14 14 PHE CA C 14 56.258 56.258 55.730 0.528 18944 53 1 . 1 1 14 14 PHE CB C 14 40.719 40.719 41.748 -1.029 18944 54 1 . 1 1 14 14 PHE H H 14 8.060 8.060 7.755 0.305 18944 55 1 . 1 1 15 15 THR N N 15 113.672 113.672 111.478 2.194 18944 56 1 . 1 1 15 15 THR HA H 15 4.522 4.522 4.849 -0.327 18944 57 1 . 1 1 15 15 THR CA C 15 60.272 60.272 59.823 0.449 18944 58 1 . 1 1 15 15 THR CB C 15 70.919 70.919 71.069 -0.150 18944 59 1 . 1 1 15 15 THR H H 15 9.139 9.139 8.431 0.708 18944 60 1 . 1 1 16 16 SER N N 16 116.722 116.722 115.709 1.013 18944 61 1 . 1 1 16 16 SER HA H 16 3.934 3.934 4.211 -0.277 18944 62 1 . 1 1 16 16 SER CA C 16 62.071 62.071 61.735 0.336 18944 63 1 . 1 1 16 16 SER CB C 16 61.814 61.814 62.961 -1.147 18944 64 1 . 1 1 16 16 SER H H 16 9.094 9.094 8.709 0.385 18944 65 1 . 1 1 17 17 GLU N N 17 120.784 120.784 122.193 -1.409 18944 66 1 . 1 1 17 17 GLU HA H 17 4.022 4.022 4.033 -0.011 18944 67 1 . 1 1 17 17 GLU CA C 17 60.127 60.127 59.341 0.786 18944 68 1 . 1 1 17 17 GLU CB C 17 29.108 29.108 29.508 -0.400 18944 69 1 . 1 1 17 17 GLU H H 17 8.673 8.673 7.896 0.777 18944 70 1 . 1 1 18 18 GLN N N 18 118.707 118.707 118.529 0.178 18944 71 1 . 1 1 18 18 GLN HA H 18 3.809 3.809 4.019 -0.210 18944 72 1 . 1 1 18 18 GLN CA C 18 58.961 58.961 58.660 0.301 18944 73 1 . 1 1 18 18 GLN CB C 18 27.980 27.980 28.894 -0.914 18944 74 1 . 1 1 18 18 GLN H H 18 7.748 7.748 7.779 -0.031 18944 75 1 . 1 1 19 19 LEU N N 19 117.129 117.129 118.432 -1.303 18944 76 1 . 1 1 19 19 LEU HA H 19 3.629 3.629 3.816 -0.186 18944 77 1 . 1 1 19 19 LEU CA C 19 57.795 57.795 56.675 1.120 18944 78 1 . 1 1 19 19 LEU CB C 19 41.611 41.611 42.016 -0.405 18944 79 1 . 1 1 19 19 LEU H H 19 8.109 8.109 8.058 0.051 18944 80 1 . 1 1 20 20 LEU N N 20 119.459 119.459 120.213 -0.754 18944 81 1 . 1 1 20 20 LEU HA H 20 4.002 4.002 4.075 -0.073 18944 82 1 . 1 1 20 20 LEU CA C 20 58.003 58.003 57.718 0.285 18944 83 1 . 1 1 20 20 LEU CB C 20 41.958 41.958 42.100 -0.142 18944 84 1 . 1 1 20 20 LEU H H 20 7.948 7.948 7.697 0.251 18944 85 1 . 1 1 21 21 GLU N N 21 118.593 118.593 118.240 0.353 18944 86 1 . 1 1 21 21 GLU HA H 21 4.086 4.086 4.051 0.035 18944 87 1 . 1 1 21 21 GLU CA C 21 58.430 58.430 58.931 -0.501 18944 88 1 . 1 1 21 21 GLU CB C 21 29.672 29.672 29.400 0.272 18944 89 1 . 1 1 21 21 GLU H H 21 7.564 7.564 8.152 -0.588 18944 90 1 . 1 1 22 22 LEU N N 22 122.405 122.405 119.139 3.266 18944 91 1 . 1 1 22 22 LEU HA H 22 3.516 3.516 3.947 -0.431 18944 92 1 . 1 1 22 22 LEU CA C 22 58.229 58.229 57.444 0.785 18944 93 1 . 1 1 22 22 LEU CB C 22 37.996 37.996 41.064 -3.068 18944 94 1 . 1 1 22 22 LEU H H 22 8.148 8.148 7.623 0.525 18944 95 1 . 1 1 23 23 GLU N N 23 118.202 118.202 117.619 0.583 18944 96 1 . 1 1 23 23 GLU HA H 23 4.282 4.282 4.207 0.075 18944 97 1 . 1 1 23 23 GLU CA C 23 58.816 58.816 58.803 0.013 18944 98 1 . 1 1 23 23 GLU CB C 23 28.954 28.954 29.083 -0.129 18944 99 1 . 1 1 23 23 GLU H H 23 7.853 7.853 7.880 -0.027 18944 100 1 . 1 1 24 24 LYS N N 24 120.955 120.955 120.325 0.631 18944 101 1 . 1 1 24 24 LYS HA H 24 4.026 4.026 4.055 -0.029 18944 102 1 . 1 1 24 24 LYS CA C 24 59.854 59.854 59.499 0.355 18944 103 1 . 1 1 24 24 LYS CB C 24 32.290 32.290 32.354 -0.064 18944 104 1 . 1 1 24 24 LYS H H 24 7.828 7.828 7.604 0.224 18944 105 1 . 1 1 25 25 GLU N N 25 120.791 120.791 118.903 1.888 18944 106 1 . 1 1 25 25 GLU HA H 25 4.259 4.259 4.214 0.045 18944 107 1 . 1 1 25 25 GLU CA C 25 58.720 58.720 58.653 0.067 18944 108 1 . 1 1 25 25 GLU CB C 25 28.575 28.575 29.569 -0.994 18944 109 1 . 1 1 25 25 GLU H H 25 8.153 8.153 7.957 0.196 18944 110 1 . 1 1 26 26 PHE N N 26 115.094 115.094 119.123 -4.029 18944 111 1 . 1 1 26 26 PHE HA H 26 4.492 4.492 4.673 -0.181 18944 112 1 . 1 1 26 26 PHE CA C 26 56.446 56.446 58.709 -2.263 18944 113 1 . 1 1 26 26 PHE CB C 26 41.822 41.822 39.086 2.736 18944 114 1 . 1 1 26 26 PHE H H 26 7.404 7.404 7.683 -0.279 18944 115 1 . 1 1 27 27 HIS N N 27 115.592 115.592 118.936 -3.344 18944 116 1 . 1 1 27 27 HIS HA H 27 4.053 4.053 4.265 -0.212 18944 117 1 . 1 1 27 27 HIS CA C 27 58.490 58.490 59.850 -1.360 18944 118 1 . 1 1 27 27 HIS CB C 27 28.830 28.830 30.487 -1.657 18944 119 1 . 1 1 27 27 HIS H H 27 8.057 8.057 8.004 0.053 18944 120 1 . 1 1 28 28 CYS N N 28 116.364 116.364 115.891 0.473 18944 121 1 . 1 1 28 28 CYS HA H 28 4.025 4.025 4.366 -0.341 18944 122 1 . 1 1 28 28 CYS CA C 28 58.623 58.623 59.834 -1.211 18944 123 1 . 1 1 28 28 CYS CB C 28 29.921 29.921 29.023 0.898 18944 124 1 . 1 1 28 28 CYS H H 28 7.972 7.972 8.074 -0.102 18944 125 1 . 1 1 29 29 LYS N N 29 122.054 122.054 120.814 1.240 18944 126 1 . 1 1 29 29 LYS HA H 29 4.300 4.300 4.223 0.077 18944 127 1 . 1 1 29 29 LYS CA C 29 56.241 56.241 55.986 0.255 18944 128 1 . 1 1 29 29 LYS CB C 29 35.189 35.189 32.577 2.612 18944 129 1 . 1 1 29 29 LYS H H 29 8.521 8.521 7.928 0.594 18944 130 1 . 1 1 30 30 LYS N N 30 118.250 118.250 119.452 -1.202 18944 131 1 . 1 1 30 30 LYS HA H 30 3.703 3.703 3.856 -0.153 18944 132 1 . 1 1 30 30 LYS CA C 30 55.817 55.817 56.766 -0.949 18944 133 1 . 1 1 30 30 LYS CB C 30 32.454 32.454 33.031 -0.577 18944 134 1 . 1 1 30 30 LYS H H 30 7.830 7.830 8.380 -0.550 18944 135 1 . 1 1 31 31 TYR N N 31 112.854 112.854 115.524 -2.671 18944 136 1 . 1 1 31 31 TYR HA H 31 4.480 4.480 4.832 -0.352 18944 137 1 . 1 1 31 31 TYR CA C 31 56.372 56.372 56.487 -0.115 18944 138 1 . 1 1 31 31 TYR CB C 31 41.159 41.159 39.590 1.569 18944 139 1 . 1 1 31 31 TYR H H 31 7.294 7.294 7.386 -0.092 18944 140 1 . 1 1 32 32 LEU N N 32 122.615 122.615 123.459 -0.844 18944 141 1 . 1 1 32 32 LEU HA H 32 4.710 4.710 4.577 0.133 18944 142 1 . 1 1 32 32 LEU CA C 32 52.902 52.902 53.978 -1.076 18944 143 1 . 1 1 32 32 LEU CB C 32 44.626 44.626 43.066 1.560 18944 144 1 . 1 1 32 32 LEU H H 32 8.426 8.426 8.318 0.108 18944 145 1 . 1 1 33 33 SER N N 33 119.224 119.224 116.679 2.545 18944 146 1 . 1 1 33 33 SER HA H 33 4.583 4.583 4.502 0.081 18944 147 1 . 1 1 33 33 SER CA C 33 56.483 56.483 57.624 -1.141 18944 148 1 . 1 1 33 33 SER CB C 33 65.258 65.258 64.627 0.631 18944 149 1 . 1 1 33 33 SER H H 33 9.322 9.322 8.476 0.846 18944 150 1 . 1 1 34 34 LEU N N 34 121.601 121.601 122.056 -0.455 18944 151 1 . 1 1 34 34 LEU HA H 34 3.977 3.977 4.080 -0.103 18944 152 1 . 1 1 34 34 LEU CA C 34 58.871 58.871 58.122 0.749 18944 153 1 . 1 1 34 34 LEU CB C 34 41.363 41.363 41.808 -0.445 18944 154 1 . 1 1 34 34 LEU H H 34 8.808 8.808 8.677 0.131 18944 155 1 . 1 1 35 35 THR N N 35 113.816 113.816 113.817 -0.001 18944 156 1 . 1 1 35 35 THR HA H 35 3.944 3.944 4.020 -0.076 18944 157 1 . 1 1 35 35 THR CA C 35 65.721 65.721 66.170 -0.449 18944 158 1 . 1 1 35 35 THR CB C 35 68.367 68.367 68.406 -0.039 18944 159 1 . 1 1 35 35 THR H H 35 8.104 8.104 8.123 -0.019 18944 160 1 . 1 1 36 36 GLU N N 36 123.125 123.125 121.319 1.806 18944 161 1 . 1 1 36 36 GLU HA H 36 3.977 3.977 4.019 -0.042 18944 162 1 . 1 1 36 36 GLU CA C 36 58.878 58.878 59.603 -0.725 18944 163 1 . 1 1 36 36 GLU CB C 36 30.407 30.407 29.079 1.328 18944 164 1 . 1 1 36 36 GLU H H 36 7.691 7.691 8.319 -0.628 18944 165 1 . 1 1 37 37 ARG N N 37 119.258 119.258 119.553 -0.295 18944 166 1 . 1 1 37 37 ARG HA H 37 3.756 3.756 3.947 -0.191 18944 167 1 . 1 1 37 37 ARG CA C 37 60.021 60.021 59.219 0.802 18944 168 1 . 1 1 37 37 ARG CB C 37 30.855 30.855 30.136 0.719 18944 169 1 . 1 1 37 37 ARG H H 37 8.726 8.726 8.214 0.512 18944 170 1 . 1 1 38 38 SER N N 38 113.573 113.573 114.988 -1.415 18944 171 1 . 1 1 38 38 SER HA H 38 4.073 4.073 4.091 -0.018 18944 172 1 . 1 1 38 38 SER CA C 38 61.865 61.865 61.603 0.262 18944 173 1 . 1 1 38 38 SER CB C 38 62.685 62.685 62.747 -0.062 18944 174 1 . 1 1 38 38 SER H H 38 8.039 8.039 7.906 0.133 18944 175 1 . 1 1 39 39 GLN N N 39 121.912 121.912 120.713 1.199 18944 176 1 . 1 1 39 39 GLN HA H 39 4.115 4.115 3.964 0.151 18944 177 1 . 1 1 39 39 GLN CA C 39 59.085 59.085 59.057 0.028 18944 178 1 . 1 1 39 39 GLN CB C 39 28.167 28.167 28.724 -0.557 18944 179 1 . 1 1 39 39 GLN H H 39 8.033 8.033 7.755 0.278 18944 180 1 . 1 1 40 40 ILE N N 40 121.716 121.716 119.965 1.751 18944 181 1 . 1 1 40 40 ILE HA H 40 3.879 3.879 3.637 0.242 18944 182 1 . 1 1 40 40 ILE CA C 40 64.361 64.361 64.972 -0.611 18944 183 1 . 1 1 40 40 ILE CB C 40 38.129 38.129 37.521 0.608 18944 184 1 . 1 1 40 40 ILE H H 40 8.205 8.205 8.080 0.125 18944 185 1 . 1 1 41 41 ALA N N 41 122.005 122.005 122.535 -0.530 18944 186 1 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.935 -0.272 18944 187 1 . 1 1 41 41 ALA CA C 41 55.947 55.947 55.235 0.712 18944 188 1 . 1 1 41 41 ALA CB C 41 17.516 17.516 18.155 -0.639 18944 189 1 . 1 1 41 41 ALA H H 41 8.301 8.301 7.999 0.302 18944 190 1 . 1 1 42 42 HIS N N 42 114.193 114.193 117.979 -3.786 18944 191 1 . 1 1 42 42 HIS HA H 42 4.394 4.394 4.263 0.131 18944 192 1 . 1 1 42 42 HIS CA C 42 58.649 58.649 58.855 -0.206 18944 193 1 . 1 1 42 42 HIS CB C 42 28.871 28.871 30.020 -1.149 18944 194 1 . 1 1 42 42 HIS H H 42 8.091 8.091 8.341 -0.249 18944 195 1 . 1 1 43 43 ALA N N 43 122.121 122.121 122.671 -0.550 18944 196 1 . 1 1 43 43 ALA HA H 43 4.066 4.066 4.131 -0.065 18944 197 1 . 1 1 43 43 ALA CA C 43 54.856 54.856 54.710 0.146 18944 198 1 . 1 1 43 43 ALA CB C 43 18.317 18.317 18.879 -0.562 18944 199 1 . 1 1 43 43 ALA H H 43 8.167 8.167 8.239 -0.072 18944 200 1 . 1 1 44 44 LEU N N 44 114.117 114.117 116.329 -2.212 18944 201 1 . 1 1 44 44 LEU HA H 44 4.327 4.327 4.380 -0.053 18944 202 1 . 1 1 44 44 LEU CA C 44 54.171 54.171 54.355 -0.184 18944 203 1 . 1 1 44 44 LEU CB C 44 42.472 42.472 42.112 0.360 18944 204 1 . 1 1 44 44 LEU H H 44 8.037 8.037 7.699 0.338 18944 205 1 . 1 1 45 45 LYS N N 45 117.081 117.081 116.943 0.138 18944 206 1 . 1 1 45 45 LYS HA H 45 3.948 3.948 3.906 0.041 18944 207 1 . 1 1 45 45 LYS CA C 45 57.214 57.214 57.185 0.029 18944 208 1 . 1 1 45 45 LYS CB C 45 28.359 28.359 30.315 -1.956 18944 209 1 . 1 1 45 45 LYS H H 45 7.806 7.806 7.656 0.150 18944 210 1 . 1 1 46 46 LEU N N 46 119.781 119.781 118.924 0.857 18944 211 1 . 1 1 46 46 LEU HA H 46 4.779 4.779 4.485 0.294 18944 212 1 . 1 1 46 46 LEU CA C 46 52.375 52.375 54.139 -1.764 18944 213 1 . 1 1 46 46 LEU CB C 46 47.430 47.430 44.169 3.261 18944 214 1 . 1 1 46 46 LEU H H 46 8.393 8.393 7.993 0.400 18944 215 1 . 1 1 47 47 SER N N 47 114.982 114.982 113.122 1.860 18944 216 1 . 1 1 47 47 SER HA H 47 4.772 4.772 4.724 0.048 18944 217 1 . 1 1 47 47 SER CA C 47 56.659 56.659 56.817 -0.158 18944 218 1 . 1 1 47 47 SER CB C 47 64.905 64.905 65.680 -0.775 18944 219 1 . 1 1 47 47 SER H H 47 8.817 8.817 8.166 0.651 18944 220 1 . 1 1 48 48 GLU N N 48 122.917 122.917 122.756 0.161 18944 221 1 . 1 1 48 48 GLU HA H 48 3.663 3.663 4.028 -0.365 18944 222 1 . 1 1 48 48 GLU CA C 48 61.142 61.142 60.069 1.073 18944 223 1 . 1 1 48 48 GLU CB C 48 28.993 28.993 29.460 -0.467 18944 224 1 . 1 1 48 48 GLU H H 48 9.232 9.232 8.988 0.244 18944 225 1 . 1 1 49 49 VAL N N 49 118.250 118.250 119.916 -1.666 18944 226 1 . 1 1 49 49 VAL HA H 49 3.770 3.770 3.784 -0.014 18944 227 1 . 1 1 49 49 VAL CA C 49 65.693 65.693 66.340 -0.647 18944 228 1 . 1 1 49 49 VAL CB C 49 31.820 31.820 31.329 0.491 18944 229 1 . 1 1 49 49 VAL H H 49 8.015 8.015 8.134 -0.119 18944 230 1 . 1 1 50 50 GLN HA H 50 4.155 4.155 4.193 -0.038 18944 231 1 . 1 1 50 50 GLN CA C 50 59.241 59.241 59.195 0.046 18944 232 1 . 1 1 50 50 GLN CB C 50 29.517 29.517 28.296 1.221 18944 233 1 . 1 1 50 50 GLN H H 50 7.714 7.714 7.848 -0.134 18944 234 1 . 1 1 51 51 VAL N N 51 119.155 119.155 119.990 -0.835 18944 235 1 . 1 1 51 51 VAL HA H 51 3.693 3.693 3.885 -0.192 18944 236 1 . 1 1 51 51 VAL CA C 51 67.404 67.404 66.433 0.971 18944 237 1 . 1 1 51 51 VAL CB C 51 32.193 32.193 31.180 1.013 18944 238 1 . 1 1 51 51 VAL H H 51 7.705 7.705 8.214 -0.509 18944 239 1 . 1 1 52 52 LYS N N 52 121.165 121.165 121.160 0.005 18944 240 1 . 1 1 52 52 LYS HA H 52 4.273 4.273 4.054 0.219 18944 241 1 . 1 1 52 52 LYS CA C 52 59.846 59.846 59.996 -0.150 18944 242 1 . 1 1 52 52 LYS CB C 52 33.195 33.195 32.449 0.746 18944 243 1 . 1 1 52 52 LYS H H 52 8.545 8.545 7.977 0.568 18944 244 1 . 1 1 53 53 ILE N N 53 120.436 120.436 119.017 1.419 18944 245 1 . 1 1 53 53 ILE HA H 53 3.829 3.829 3.771 0.058 18944 246 1 . 1 1 53 53 ILE CA C 53 64.231 64.231 65.213 -0.982 18944 247 1 . 1 1 53 53 ILE CB C 53 37.978 37.978 37.885 0.093 18944 248 1 . 1 1 53 53 ILE H H 53 8.733 8.733 8.488 0.245 18944 249 1 . 1 1 54 54 TRP N N 54 122.076 122.076 121.623 0.453 18944 250 1 . 1 1 54 54 TRP HA H 54 4.014 4.014 4.145 -0.131 18944 251 1 . 1 1 54 54 TRP CA C 54 63.402 63.402 61.880 1.522 18944 252 1 . 1 1 54 54 TRP CB C 54 28.857 28.857 29.601 -0.744 18944 253 1 . 1 1 54 54 TRP H H 54 8.522 8.522 8.098 0.424 18944 254 1 . 1 1 55 55 PHE N N 55 119.314 119.314 118.049 1.265 18944 255 1 . 1 1 55 55 PHE HA H 55 3.718 3.718 3.971 -0.253 18944 256 1 . 1 1 55 55 PHE CA C 55 63.373 63.373 62.449 0.924 18944 257 1 . 1 1 55 55 PHE CB C 55 39.325 39.325 38.695 0.630 18944 258 1 . 1 1 55 55 PHE H H 55 9.087 9.087 8.942 0.145 18944 259 1 . 1 1 56 56 GLN N N 56 119.067 119.067 118.681 0.386 18944 260 1 . 1 1 56 56 GLN HA H 56 3.995 3.995 3.919 0.076 18944 261 1 . 1 1 56 56 GLN CA C 56 59.478 59.478 59.583 -0.105 18944 262 1 . 1 1 56 56 GLN CB C 56 28.528 28.528 28.371 0.157 18944 263 1 . 1 1 56 56 GLN H H 56 8.148 8.148 8.714 -0.566 18944 264 1 . 1 1 57 57 ASN N N 57 119.662 119.662 118.157 1.505 18944 265 1 . 1 1 57 57 ASN HA H 57 4.354 4.354 4.389 -0.035 18944 266 1 . 1 1 57 57 ASN CA C 57 55.317 55.317 55.965 -0.648 18944 267 1 . 1 1 57 57 ASN CB C 57 37.725 37.725 38.096 -0.371 18944 268 1 . 1 1 57 57 ASN H H 57 8.396 8.396 7.931 0.465 18944 269 1 . 1 1 58 58 ARG N N 58 124.411 124.411 120.279 4.132 18944 270 1 . 1 1 58 58 ARG HA H 58 3.508 3.508 3.597 -0.089 18944 271 1 . 1 1 58 58 ARG CA C 58 56.145 56.145 58.469 -2.324 18944 272 1 . 1 1 58 58 ARG CB C 58 27.957 27.957 29.060 -1.103 18944 273 1 . 1 1 58 58 ARG H H 58 8.454 8.454 7.787 0.667 18944 274 1 . 1 1 59 59 ARG HA H 59 4.354 4.354 4.245 0.109 18944 275 1 . 1 1 59 59 ARG CA C 59 60.459 60.459 59.366 1.093 18944 276 1 . 1 1 59 59 ARG CB C 59 32.018 32.018 30.102 1.916 18944 277 1 . 1 1 60 60 ALA N N 60 121.683 121.683 122.108 -0.425 18944 278 1 . 1 1 60 60 ALA HA H 60 4.195 4.195 4.096 0.099 18944 279 1 . 1 1 60 60 ALA CA C 60 54.946 54.946 55.182 -0.236 18944 280 1 . 1 1 60 60 ALA CB C 60 17.671 17.671 18.069 -0.398 18944 281 1 . 1 1 60 60 ALA H H 60 7.524 7.524 7.898 -0.374 18944 282 1 . 1 1 61 61 LYS N N 61 118.243 118.243 118.903 -0.660 18944 283 1 . 1 1 61 61 LYS HA H 61 4.026 4.026 3.985 0.041 18944 284 1 . 1 1 61 61 LYS CA C 61 58.604 58.604 59.107 -0.503 18944 285 1 . 1 1 61 61 LYS CB C 61 32.727 32.727 32.373 0.354 18944 286 1 . 1 1 61 61 LYS H H 61 7.352 7.352 7.523 -0.171 18944 287 1 . 1 1 62 62 TRP N N 62 121.102 121.102 121.232 -0.130 18944 288 1 . 1 1 62 62 TRP HA H 62 4.643 4.643 4.324 0.319 18944 289 1 . 1 1 62 62 TRP CA C 62 58.923 58.923 60.900 -1.977 18944 290 1 . 1 1 62 62 TRP CB C 62 29.586 29.586 29.524 0.062 18944 291 1 . 1 1 62 62 TRP H H 62 7.934 7.934 8.160 -0.226 18944 292 1 . 1 1 63 63 LYS N N 63 118.454 118.454 117.579 0.875 18944 293 1 . 1 1 63 63 LYS HA H 63 3.657 3.657 3.553 0.104 18944 294 1 . 1 1 63 63 LYS CA C 63 57.708 57.708 59.353 -1.645 18944 295 1 . 1 1 63 63 LYS CB C 63 32.673 32.673 31.880 0.793 18944 296 1 . 1 1 63 63 LYS H H 63 8.328 8.328 8.124 0.204 18944 297 1 . 1 1 64 64 ARG N N 64 119.371 119.371 116.768 2.603 18944 298 1 . 1 1 64 64 ARG HA H 64 4.094 4.094 4.189 -0.095 18944 299 1 . 1 1 64 64 ARG CA C 64 57.575 57.575 57.320 0.255 18944 300 1 . 1 1 64 64 ARG CB C 64 30.042 30.042 29.938 0.104 18944 301 1 . 1 1 64 64 ARG H H 64 7.605 7.605 7.641 -0.036 18944 302 1 . 1 1 65 65 ILE N N 65 120.717 120.717 119.014 1.703 18944 303 1 . 1 1 65 65 ILE HA H 65 3.994 3.994 4.041 -0.047 18944 304 1 . 1 1 65 65 ILE CA C 65 62.122 62.122 63.115 -0.993 18944 305 1 . 1 1 65 65 ILE CB C 65 38.200 38.200 39.117 -0.917 18944 306 1 . 1 1 65 65 ILE H H 65 7.933 7.933 7.653 0.280 18944 307 1 . 1 1 66 66 LYS N N 66 123.684 123.684 120.444 3.240 18944 308 1 . 1 1 66 66 LYS HA H 66 4.140 4.140 4.033 0.107 18944 309 1 . 1 1 66 66 LYS CA C 66 56.691 56.691 58.136 -1.445 18944 310 1 . 1 1 66 66 LYS CB C 66 32.356 32.356 32.082 0.274 18944 311 1 . 1 1 66 66 LYS H H 66 8.180 8.180 8.018 0.162 18944 312 1 . 1 1 67 67 ALA N N 67 123.678 123.678 122.831 0.847 18944 313 1 . 1 1 67 67 ALA HA H 67 4.274 4.274 4.309 -0.035 18944 314 1 . 1 1 67 67 ALA CA C 67 52.548 52.548 52.061 0.487 18944 315 1 . 1 1 67 67 ALA CB C 67 19.080 19.080 18.967 0.113 18944 316 1 . 1 1 67 67 ALA H H 67 7.959 7.959 7.956 0.003 18944 317 1 . 1 1 68 68 GLY N N 68 107.345 107.345 108.533 -1.188 18944 318 1 . 1 1 68 68 GLY CA C 68 45.274 45.274 45.202 0.072 18944 319 1 . 1 1 68 68 GLY H H 68 8.157 8.157 8.004 0.153 18944 320 1 . 1 1 69 69 ASN N N 69 118.854 118.854 120.331 -1.477 18944 321 1 . 1 1 69 69 ASN HA H 69 4.757 4.757 4.722 0.035 18944 322 1 . 1 1 69 69 ASN CA C 69 53.066 53.066 53.085 -0.019 18944 323 1 . 1 1 69 69 ASN CB C 69 38.948 38.948 39.457 -0.509 18944 324 1 . 1 1 69 69 ASN H H 69 8.230 8.230 8.264 -0.034 18944 325 1 . 1 1 70 70 VAL N N 70 119.499 119.499 119.746 -0.247 18944 326 1 . 1 1 70 70 VAL HA H 70 4.206 4.206 4.083 0.123 18944 327 1 . 1 1 70 70 VAL CA C 70 62.062 62.062 62.741 -0.679 18944 328 1 . 1 1 70 70 VAL CB C 70 32.804 32.804 31.572 1.232 18944 329 1 . 1 1 70 70 VAL H H 70 8.109 8.109 8.249 -0.140 18944 stop_ save_