data_25543 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25543 _Entry.PDB_ID 2N11 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 25543 _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 7 7 GLN N N 7 120.283 120.283 121.626 -1.343 25543 2 1 1 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.913 0.222 25543 3 1 1 . 1 1 7 7 GLN C C 7 174.902 174.902 177.888 -2.986 25543 4 1 1 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.454 -2.136 25543 5 1 1 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.736 0.964 25543 6 1 1 . 1 1 7 7 GLN H H 7 8.340 8.340 8.673 -0.333 25543 7 1 1 . 1 1 8 8 GLN N N 8 120.710 120.710 118.365 2.345 25543 8 1 1 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.019 0.028 25543 9 1 1 . 1 1 8 8 GLN C C 8 174.564 174.564 177.792 -3.228 25543 10 1 1 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.806 -0.705 25543 11 1 1 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.848 0.646 25543 12 1 1 . 1 1 8 8 GLN H H 8 8.434 8.434 8.672 -0.238 25543 13 1 1 . 1 1 9 9 ALA N N 9 122.740 122.740 122.914 -0.174 25543 14 1 1 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.388 -0.195 25543 15 1 1 . 1 1 9 9 ALA C C 9 177.504 177.504 179.491 -1.987 25543 16 1 1 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.535 0.047 25543 17 1 1 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.256 -0.125 25543 18 1 1 . 1 1 9 9 ALA H H 9 8.144 8.144 7.866 0.278 25543 19 1 1 . 1 1 10 10 VAL N N 10 120.344 120.344 119.200 1.144 25543 20 1 1 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.704 0.091 25543 21 1 1 . 1 1 10 10 VAL C C 10 175.143 175.143 177.825 -2.682 25543 22 1 1 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.258 0.168 25543 23 1 1 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.450 0.618 25543 24 1 1 . 1 1 10 10 VAL H H 10 7.854 7.854 7.877 -0.023 25543 25 1 1 . 1 1 11 11 LEU N N 11 121.896 121.896 120.660 1.236 25543 26 1 1 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.894 0.241 25543 27 1 1 . 1 1 11 11 LEU C C 11 177.143 177.143 178.317 -1.174 25543 28 1 1 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.377 -0.687 25543 29 1 1 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.630 0.013 25543 30 1 1 . 1 1 11 11 LEU H H 11 7.936 7.936 8.734 -0.798 25543 31 1 1 . 1 1 12 12 GLU N N 12 120.197 120.197 118.242 1.955 25543 32 1 1 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.860 0.280 25543 33 1 1 . 1 1 12 12 GLU C C 12 175.602 175.602 179.232 -3.630 25543 34 1 1 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.361 -0.855 25543 35 1 1 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.997 0.260 25543 36 1 1 . 1 1 12 12 GLU H H 12 8.310 8.310 8.059 0.251 25543 37 1 1 . 1 1 13 13 GLN N N 13 120.843 120.843 120.022 0.821 25543 38 1 1 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.070 -0.152 25543 39 1 1 . 1 1 13 13 GLN C C 13 174.656 174.656 178.443 -3.787 25543 40 1 1 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.647 -0.226 25543 41 1 1 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.368 -0.264 25543 42 1 1 . 1 1 13 13 GLN H H 13 8.073 8.073 8.497 -0.424 25543 43 1 1 . 1 1 14 14 GLU N N 14 119.589 119.589 119.994 -0.405 25543 44 1 1 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.989 0.109 25543 45 1 1 . 1 1 14 14 GLU C C 14 176.412 176.412 179.081 -2.669 25543 46 1 1 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.553 -0.277 25543 47 1 1 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.276 0.044 25543 48 1 1 . 1 1 14 14 GLU H H 14 8.340 8.340 7.968 0.372 25543 49 1 1 . 1 1 15 15 ARG N N 15 120.353 120.353 118.920 1.433 25543 50 1 1 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.991 -0.011 25543 51 1 1 . 1 1 15 15 ARG C C 15 175.896 175.896 178.632 -2.736 25543 52 1 1 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.213 0.290 25543 53 1 1 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.925 -0.091 25543 54 1 1 . 1 1 15 15 ARG H H 15 7.995 7.995 8.294 -0.299 25543 55 1 1 . 1 1 16 16 ARG N N 16 120.490 120.490 119.952 0.538 25543 56 1 1 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.279 -0.245 25543 57 1 1 . 1 1 16 16 ARG C C 16 176.476 176.476 178.304 -1.828 25543 58 1 1 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.596 -0.228 25543 59 1 1 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.971 -0.139 25543 60 1 1 . 1 1 16 16 ARG H H 16 8.169 8.169 8.109 0.060 25543 61 1 1 . 1 1 17 17 ASP N N 17 120.965 120.965 119.120 1.845 25543 62 1 1 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.265 0.174 25543 63 1 1 . 1 1 17 17 ASP C C 17 176.291 176.291 178.809 -2.518 25543 64 1 1 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.681 -0.429 25543 65 1 1 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.722 -0.813 25543 66 1 1 . 1 1 17 17 ASP H H 17 8.684 8.684 8.374 0.310 25543 67 1 1 . 1 1 18 18 ARG N N 18 122.128 122.128 118.562 3.566 25543 68 1 1 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.993 0.138 25543 69 1 1 . 1 1 18 18 ARG C C 18 175.897 175.897 178.862 -2.965 25543 70 1 1 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.575 0.578 25543 71 1 1 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.459 0.668 25543 72 1 1 . 1 1 18 18 ARG H H 18 8.183 8.183 8.105 0.078 25543 73 1 1 . 1 1 19 19 GLU N N 19 120.044 120.044 120.237 -0.193 25543 74 1 1 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.950 0.067 25543 75 1 1 . 1 1 19 19 GLU C C 19 172.902 172.902 179.172 -6.270 25543 76 1 1 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.490 -0.301 25543 77 1 1 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.484 -0.180 25543 78 1 1 . 1 1 19 19 GLU H H 19 8.207 8.207 8.144 0.063 25543 79 1 1 . 1 1 20 20 LEU N N 20 121.172 121.172 119.973 1.199 25543 80 1 1 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.913 0.219 25543 81 1 1 . 1 1 20 20 LEU C C 20 174.935 174.935 179.000 -4.065 25543 82 1 1 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.228 -0.353 25543 83 1 1 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.076 0.594 25543 84 1 1 . 1 1 20 20 LEU H H 20 8.102 8.102 8.158 -0.056 25543 85 1 1 . 1 1 21 21 ALA N N 21 120.754 120.754 121.490 -0.736 25543 86 1 1 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.910 0.177 25543 87 1 1 . 1 1 21 21 ALA C C 21 177.689 177.689 180.017 -2.328 25543 88 1 1 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.053 -0.383 25543 89 1 1 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.121 -0.134 25543 90 1 1 . 1 1 21 21 ALA H H 21 7.864 7.864 7.992 -0.128 25543 91 1 1 . 1 1 22 22 LEU N N 22 119.357 119.357 119.223 0.134 25543 92 1 1 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.001 0.176 25543 93 1 1 . 1 1 22 22 LEU C C 22 175.842 175.842 178.902 -3.060 25543 94 1 1 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.037 -0.980 25543 95 1 1 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.915 0.048 25543 96 1 1 . 1 1 22 22 LEU H H 22 7.901 7.901 8.465 -0.564 25543 97 1 1 . 1 1 23 23 ARG N N 23 120.416 120.416 119.717 0.699 25543 98 1 1 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.961 0.190 25543 99 1 1 . 1 1 23 23 ARG C C 23 176.236 176.236 179.153 -2.917 25543 100 1 1 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.158 -1.624 25543 101 1 1 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.192 -0.035 25543 102 1 1 . 1 1 23 23 ARG H H 23 7.890 7.890 8.135 -0.245 25543 103 1 1 . 1 1 24 24 ILE N N 24 121.088 121.088 119.729 1.359 25543 104 1 1 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.708 0.169 25543 105 1 1 . 1 1 24 24 ILE C C 24 174.946 174.946 177.813 -2.867 25543 106 1 1 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.989 -1.375 25543 107 1 1 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.502 0.713 25543 108 1 1 . 1 1 24 24 ILE H H 24 8.254 8.254 8.519 -0.265 25543 109 1 1 . 1 1 25 25 ALA N N 25 124.216 124.216 122.466 1.750 25543 110 1 1 . 1 1 25 25 ALA HA H 25 4.222 4.222 4.012 0.210 25543 111 1 1 . 1 1 25 25 ALA C C 25 176.883 176.883 180.058 -3.175 25543 112 1 1 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.424 -1.351 25543 113 1 1 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.159 0.318 25543 114 1 1 . 1 1 25 25 ALA H H 25 8.053 8.053 8.280 -0.227 25543 115 1 1 . 1 1 26 26 GLN N N 26 118.617 118.617 117.119 1.498 25543 116 1 1 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.051 0.152 25543 117 1 1 . 1 1 26 26 GLN C C 26 174.564 174.564 178.899 -4.335 25543 118 1 1 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.264 -1.045 25543 119 1 1 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.193 0.676 25543 120 1 1 . 1 1 26 26 GLN H H 26 8.269 8.269 8.653 -0.384 25543 121 1 1 . 1 1 27 27 SER N N 27 116.340 116.340 116.514 -0.174 25543 122 1 1 . 1 1 27 27 SER HA H 27 4.350 4.350 4.228 0.122 25543 123 1 1 . 1 1 27 27 SER C C 27 172.902 172.902 176.520 -3.618 25543 124 1 1 . 1 1 27 27 SER CA C 27 59.941 59.941 62.255 -2.314 25543 125 1 1 . 1 1 27 27 SER CB C 27 63.458 63.458 63.328 0.130 25543 126 1 1 . 1 1 27 27 SER H H 27 8.195 8.195 8.644 -0.449 25543 127 1 1 . 1 1 28 28 GLU N N 28 122.168 122.168 121.311 0.857 25543 128 1 1 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.093 0.074 25543 129 1 1 . 1 1 28 28 GLU C C 28 174.568 174.568 177.891 -3.323 25543 130 1 1 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.858 -0.982 25543 131 1 1 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.836 1.124 25543 132 1 1 . 1 1 28 28 GLU H H 28 8.316 8.316 8.444 -0.128 25543 133 1 1 . 1 1 29 29 ALA N N 29 122.950 122.950 121.534 1.416 25543 134 1 1 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.195 0.008 25543 135 1 1 . 1 1 29 29 ALA C C 29 176.938 176.938 179.503 -2.565 25543 136 1 1 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.102 -0.745 25543 137 1 1 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.895 -0.042 25543 138 1 1 . 1 1 29 29 ALA H H 29 8.029 8.029 7.804 0.225 25543 139 1 1 . 1 1 30 30 GLU N N 30 119.092 119.092 116.591 2.501 25543 140 1 1 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.236 -0.082 25543 141 1 1 . 1 1 30 30 GLU C C 30 174.531 174.531 177.460 -2.929 25543 142 1 1 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.568 0.521 25543 143 1 1 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.456 -0.515 25543 144 1 1 . 1 1 30 30 GLU H H 30 8.104 8.104 7.797 0.307 25543 145 1 1 . 1 1 31 31 LEU N N 31 122.322 122.322 119.223 3.099 25543 146 1 1 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.010 0.278 25543 147 1 1 . 1 1 31 31 LEU C C 31 176.006 176.006 176.365 -0.359 25543 148 1 1 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.047 -0.349 25543 149 1 1 . 1 1 31 31 LEU CB C 31 42.118 42.118 41.105 1.013 25543 150 1 1 . 1 1 31 31 LEU H H 31 8.016 8.016 8.347 -0.331 25543 151 1 1 . 1 1 32 32 ILE N N 32 121.365 121.365 116.407 4.958 25543 152 1 1 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.091 0.061 25543 153 1 1 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.167 -0.823 25543 154 1 1 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.023 0.506 25543 155 1 1 . 1 1 32 32 ILE H H 32 8.050 8.050 7.531 0.519 25543 156 1 1 . 1 1 33 33 SER N N 33 120.203 120.203 118.197 2.006 25543 157 1 1 . 1 1 33 33 SER HA H 33 4.409 4.409 4.419 -0.010 25543 158 1 1 . 1 1 33 33 SER CA C 33 58.468 58.468 58.788 -0.320 25543 159 1 1 . 1 1 33 33 SER CB C 33 64.021 64.021 61.738 2.283 25543 160 1 1 . 1 1 33 33 SER H H 33 8.391 8.391 8.245 0.146 25543 161 1 1 . 1 1 34 34 ASP N N 34 123.136 123.136 122.555 0.581 25543 162 1 1 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.495 -0.001 25543 163 1 1 . 1 1 34 34 ASP C C 34 175.121 175.121 177.304 -2.183 25543 164 1 1 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.939 -1.259 25543 165 1 1 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.733 -0.055 25543 166 1 1 . 1 1 34 34 ASP H H 34 8.629 8.629 8.346 0.283 25543 167 1 1 . 1 1 35 35 GLU N N 35 121.638 121.638 119.788 1.850 25543 168 1 1 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.033 0.075 25543 169 1 1 . 1 1 35 35 GLU C C 35 174.886 174.886 178.186 -3.300 25543 170 1 1 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.177 -0.592 25543 171 1 1 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.399 1.134 25543 172 1 1 . 1 1 35 35 GLU H H 35 8.579 8.579 8.494 0.085 25543 173 1 1 . 1 1 36 36 ALA N N 36 123.946 123.946 122.381 1.565 25543 174 1 1 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.031 0.198 25543 175 1 1 . 1 1 36 36 ALA C C 36 177.012 177.012 179.940 -2.928 25543 176 1 1 . 1 1 36 36 ALA CA C 36 53.808 53.808 54.942 -1.134 25543 177 1 1 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.110 0.434 25543 178 1 1 . 1 1 36 36 ALA H H 36 8.235 8.235 7.520 0.715 25543 179 1 1 . 1 1 37 37 GLN N N 37 118.885 118.885 118.078 0.807 25543 180 1 1 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.937 0.189 25543 181 1 1 . 1 1 37 37 GLN C C 37 174.897 174.897 178.643 -3.746 25543 182 1 1 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.302 -0.901 25543 183 1 1 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.004 0.777 25543 184 1 1 . 1 1 37 37 GLN H H 37 8.295 8.295 7.806 0.489 25543 185 1 1 . 1 1 38 38 ALA N N 38 124.163 124.163 122.401 1.762 25543 186 1 1 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.926 0.248 25543 187 1 1 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.060 -0.964 25543 188 1 1 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.207 0.249 25543 189 1 1 . 1 1 38 38 ALA H H 38 8.217 8.217 8.256 -0.039 25543 190 1 1 . 1 1 39 39 ASP N N 39 119.226 119.226 119.403 -0.177 25543 191 1 1 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.344 0.132 25543 192 1 1 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.202 -1.358 25543 193 1 1 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.859 0.119 25543 194 1 1 . 1 1 39 39 ASP H H 39 8.145 8.145 7.912 0.233 25543 195 1 1 . 1 1 40 40 LEU N N 40 121.976 121.976 119.962 2.014 25543 196 1 1 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.860 0.205 25543 197 1 1 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.773 -0.643 25543 198 1 1 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.590 0.372 25543 199 1 1 . 1 1 40 40 LEU H H 40 8.018 8.018 8.124 -0.106 25543 200 1 1 . 1 1 41 41 ALA N N 41 121.547 121.547 121.006 0.541 25543 201 1 1 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.076 0.024 25543 202 1 1 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.009 -0.950 25543 203 1 1 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.163 0.033 25543 204 1 1 . 1 1 41 41 ALA H H 41 8.076 8.076 8.228 -0.152 25543 205 1 1 . 1 1 42 42 LEU N N 42 119.599 119.599 119.231 0.368 25543 206 1 1 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.031 0.166 25543 207 1 1 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.672 -1.270 25543 208 1 1 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.927 0.099 25543 209 1 1 . 1 1 42 42 LEU H H 42 7.832 7.832 8.046 -0.214 25543 210 1 1 . 1 1 43 43 ARG N N 43 120.126 120.126 117.206 2.920 25543 211 1 1 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.079 0.042 25543 212 1 1 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.670 -0.992 25543 213 1 1 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.210 -0.016 25543 214 1 1 . 1 1 43 43 ARG H H 43 8.047 8.047 8.217 -0.170 25543 215 1 1 . 1 1 44 44 ARG N N 44 120.206 120.206 119.205 1.001 25543 216 1 1 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.260 -0.021 25543 217 1 1 . 1 1 44 44 ARG C C 44 173.165 173.165 177.690 -4.525 25543 218 1 1 . 1 1 44 44 ARG CA C 44 57.111 57.111 58.056 -0.945 25543 219 1 1 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.868 -0.276 25543 220 1 1 . 1 1 44 44 ARG H H 44 8.206 8.206 7.977 0.229 25543 221 1 1 . 1 1 45 45 SER N N 45 116.312 116.312 116.882 -0.570 25543 222 1 1 . 1 1 45 45 SER HA H 45 4.369 4.369 4.557 -0.188 25543 223 1 1 . 1 1 45 45 SER C C 45 170.903 170.903 174.796 -3.893 25543 224 1 1 . 1 1 45 45 SER CA C 45 59.151 59.151 57.562 1.589 25543 225 1 1 . 1 1 45 45 SER CB C 45 63.539 63.539 61.715 1.824 25543 226 1 1 . 1 1 45 45 SER H H 45 8.171 8.171 7.949 0.222 25543 227 1 1 . 1 1 46 46 LEU N N 46 123.524 123.524 124.041 -0.517 25543 228 1 1 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.062 0.228 25543 229 1 1 . 1 1 46 46 LEU CA C 46 55.719 55.719 57.746 -2.027 25543 230 1 1 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.136 -0.065 25543 231 1 1 . 1 1 46 46 LEU H H 46 8.168 8.168 7.782 0.387 25543 232 1 1 . 1 1 47 47 ASP N N 47 119.853 119.853 116.576 3.277 25543 233 1 1 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.570 -0.033 25543 234 1 1 . 1 1 47 47 ASP C C 47 173.143 173.143 176.488 -3.345 25543 235 1 1 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.673 0.066 25543 236 1 1 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.586 1.351 25543 237 1 1 . 1 1 47 47 ASP H H 47 8.154 8.154 8.511 -0.357 25543 238 1 1 . 1 1 48 48 SER N N 48 114.867 114.867 114.823 0.044 25543 239 1 1 . 1 1 48 48 SER HA H 48 4.340 4.340 4.176 0.164 25543 240 1 1 . 1 1 48 48 SER C C 48 170.816 170.816 175.063 -4.247 25543 241 1 1 . 1 1 48 48 SER CA C 48 58.345 58.345 60.757 -2.412 25543 242 1 1 . 1 1 48 48 SER CB C 48 63.835 63.835 63.517 0.318 25543 243 1 1 . 1 1 48 48 SER H H 48 7.960 7.960 7.905 0.055 25543 244 1 1 . 1 1 49 49 TYR N N 49 123.355 123.355 121.024 2.331 25543 245 1 1 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.410 0.325 25543 246 1 1 . 1 1 49 49 TYR CA C 49 56.141 56.141 57.176 -1.035 25543 247 1 1 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.980 0.165 25543 248 1 1 . 1 1 49 49 TYR H H 49 8.102 8.102 7.993 0.109 25543 249 1 1 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.396 0.031 25543 250 1 1 . 1 1 50 50 PRO C C 50 173.908 173.908 176.162 -2.254 25543 251 1 1 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.550 0.495 25543 252 1 1 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.384 -0.492 25543 253 1 1 . 1 1 51 51 VAL N N 51 120.746 120.746 118.767 1.979 25543 254 1 1 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.119 -0.031 25543 255 1 1 . 1 1 51 51 VAL C C 51 173.504 173.504 175.981 -2.477 25543 256 1 1 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.797 -0.495 25543 257 1 1 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.630 0.236 25543 258 1 1 . 1 1 51 51 VAL H H 51 8.270 8.270 8.106 0.164 25543 259 1 1 . 1 1 52 52 SER N N 52 119.837 119.837 120.571 -0.734 25543 260 1 1 . 1 1 52 52 SER HA H 52 4.429 4.429 4.703 -0.274 25543 261 1 1 . 1 1 52 52 SER C C 52 171.799 171.799 173.435 -1.636 25543 262 1 1 . 1 1 52 52 SER CA C 52 58.088 58.088 57.376 0.712 25543 263 1 1 . 1 1 52 52 SER CB C 52 63.948 63.948 63.798 0.150 25543 264 1 1 . 1 1 52 52 SER H H 52 8.493 8.493 8.332 0.161 25543 265 1 1 . 1 1 53 53 LYS N N 53 123.948 123.948 126.713 -2.765 25543 266 1 1 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.327 -0.056 25543 267 1 1 . 1 1 53 53 LYS C C 53 173.547 173.547 175.791 -2.244 25543 268 1 1 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.853 -0.353 25543 269 1 1 . 1 1 53 53 LYS CB C 53 32.967 32.967 32.919 0.048 25543 270 1 1 . 1 1 53 53 LYS H H 53 8.531 8.531 8.523 0.008 25543 271 1 1 . 1 1 54 54 ASN N N 54 119.853 119.853 120.814 -0.961 25543 272 1 1 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.773 -0.074 25543 273 1 1 . 1 1 54 54 ASN C C 54 172.115 172.115 175.018 -2.903 25543 274 1 1 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.724 -0.512 25543 275 1 1 . 1 1 54 54 ASN CB C 54 38.801 38.801 39.206 -0.405 25543 276 1 1 . 1 1 54 54 ASN H H 54 8.532 8.532 8.874 -0.342 25543 277 1 1 . 1 1 55 55 ASP N N 55 121.271 121.271 120.718 0.553 25543 278 1 1 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.785 -0.211 25543 279 1 1 . 1 1 55 55 ASP C C 55 174.105 174.105 177.420 -3.315 25543 280 1 1 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.672 -0.513 25543 281 1 1 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.930 0.110 25543 282 1 1 . 1 1 55 55 ASP H H 55 8.297 8.297 8.320 -0.023 25543 283 1 1 . 1 1 56 56 GLY N N 56 109.368 109.368 108.940 0.428 25543 284 1 1 . 1 1 56 56 GLY C C 56 171.941 171.941 174.950 -3.009 25543 285 1 1 . 1 1 56 56 GLY CA C 56 45.511 45.511 44.863 0.648 25543 286 1 1 . 1 1 56 56 GLY H H 56 8.497 8.497 8.004 0.493 25543 287 1 1 . 1 1 57 57 THR N N 57 113.628 113.628 115.841 -2.213 25543 288 1 1 . 1 1 57 57 THR HA H 57 4.275 4.275 4.292 -0.017 25543 289 1 1 . 1 1 57 57 THR C C 57 171.744 171.744 174.318 -2.574 25543 290 1 1 . 1 1 57 57 THR CA C 57 62.240 62.240 62.068 0.172 25543 291 1 1 . 1 1 57 57 THR CB C 57 69.941 69.941 68.279 1.661 25543 292 1 1 . 1 1 57 57 THR H H 57 8.156 8.156 8.280 -0.124 25543 293 1 1 . 1 1 58 58 ARG N N 58 124.521 124.521 123.205 1.316 25543 294 1 1 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.538 0.082 25543 295 1 1 . 1 1 58 58 ARG C C 58 171.187 171.187 174.179 -2.992 25543 296 1 1 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.632 -0.663 25543 297 1 1 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.916 0.230 25543 298 1 1 . 1 1 58 58 ARG H H 58 8.322 8.322 7.263 1.059 25543 299 1 1 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.204 0.178 25543 300 1 1 . 1 1 59 59 PRO CA C 59 62.903 62.903 63.214 -0.311 25543 301 1 1 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.260 -0.067 25543 302 1 1 . 1 1 60 60 LYS N N 60 122.142 122.142 117.420 4.722 25543 303 1 1 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.057 0.146 25543 304 1 1 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.557 -0.229 25543 305 1 1 . 1 1 60 60 LYS CB C 60 32.805 32.805 32.492 0.313 25543 306 1 1 . 1 1 60 60 LYS H H 60 8.513 8.513 8.318 0.195 25543 307 1 1 . 1 1 61 61 MET N N 61 122.695 122.695 123.256 -0.561 25543 308 1 1 . 1 1 61 61 MET HA H 61 4.598 4.598 4.570 0.028 25543 309 1 1 . 1 1 61 61 MET C C 61 173.077 173.077 175.949 -2.872 25543 310 1 1 . 1 1 61 61 MET CA C 61 55.296 55.296 53.898 1.398 25543 311 1 1 . 1 1 61 61 MET CB C 61 34.491 34.491 32.526 1.965 25543 312 1 1 . 1 1 61 61 MET H H 61 8.446 8.446 8.346 0.100 25543 313 1 1 . 1 1 62 62 THR N N 62 115.170 115.170 116.533 -1.363 25543 314 1 1 . 1 1 62 62 THR HA H 62 4.620 4.620 4.542 0.078 25543 315 1 1 . 1 1 62 62 THR C C 62 170.881 170.881 174.607 -3.726 25543 316 1 1 . 1 1 62 62 THR CA C 62 59.858 59.858 59.316 0.541 25543 317 1 1 . 1 1 62 62 THR CB C 62 68.752 68.752 69.751 -0.999 25543 318 1 1 . 1 1 62 62 THR H H 62 8.437 8.437 7.905 0.532 25543 319 1 1 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.101 0.173 25543 320 1 1 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.817 -0.443 25543 321 1 1 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.677 0.086 25543 322 1 1 . 1 1 64 64 GLU N N 64 118.596 118.596 117.302 1.294 25543 323 1 1 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.991 0.072 25543 324 1 1 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.367 0.246 25543 325 1 1 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.302 -0.284 25543 326 1 1 . 1 1 64 64 GLU H H 64 8.813 8.813 8.091 0.722 25543 327 1 1 . 1 1 65 65 GLN N N 65 121.250 121.250 118.593 2.657 25543 328 1 1 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.019 0.027 25543 329 1 1 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.848 -0.732 25543 330 1 1 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.740 -0.029 25543 331 1 1 . 1 1 65 65 GLN H H 65 7.964 7.964 8.347 -0.383 25543 332 1 1 . 1 1 66 66 MET N N 66 120.082 120.082 116.888 3.194 25543 333 1 1 . 1 1 66 66 MET HA H 66 4.156 4.156 4.079 0.077 25543 334 1 1 . 1 1 66 66 MET CA C 66 58.241 58.241 58.744 -0.503 25543 335 1 1 . 1 1 66 66 MET CB C 66 32.558 32.558 31.987 0.571 25543 336 1 1 . 1 1 66 66 MET H H 66 8.429 8.429 7.808 0.621 25543 337 1 1 . 1 1 67 67 ALA N N 67 122.222 122.222 122.477 -0.255 25543 338 1 1 . 1 1 67 67 ALA HA H 67 4.157 4.157 4.114 0.043 25543 339 1 1 . 1 1 67 67 ALA CA C 67 54.271 54.271 54.613 -0.342 25543 340 1 1 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.154 0.125 25543 341 1 1 . 1 1 67 67 ALA H H 67 8.106 8.106 8.343 -0.237 25543 342 1 1 . 1 1 68 68 LYS N N 68 120.031 120.031 119.097 0.934 25543 343 1 1 . 1 1 68 68 LYS HA H 68 4.127 4.127 4.085 0.042 25543 344 1 1 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.075 -0.702 25543 345 1 1 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.439 0.165 25543 346 1 1 . 1 1 68 68 LYS H H 68 7.815 7.815 7.963 -0.148 25543 347 1 1 . 1 1 69 69 GLU N N 69 119.896 119.896 120.093 -0.197 25543 348 1 1 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.032 0.091 25543 349 1 1 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.792 -1.243 25543 350 1 1 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.717 -0.307 25543 351 1 1 . 1 1 69 69 GLU H H 69 8.149 8.149 8.329 -0.180 25543 352 1 1 . 1 1 70 70 MET N N 70 119.261 119.261 118.029 1.232 25543 353 1 1 . 1 1 70 70 MET HA H 70 4.434 4.434 4.199 0.235 25543 354 1 1 . 1 1 70 70 MET C C 70 174.607 174.607 178.465 -3.858 25543 355 1 1 . 1 1 70 70 MET CA C 70 56.884 56.884 59.284 -2.400 25543 356 1 1 . 1 1 70 70 MET CB C 70 32.159 32.159 32.455 -0.296 25543 357 1 1 . 1 1 70 70 MET H H 70 8.215 8.215 8.366 -0.151 25543 358 1 1 . 1 1 71 71 SER N N 71 115.618 115.618 116.083 -0.465 25543 359 1 1 . 1 1 71 71 SER HA H 71 4.265 4.265 4.159 0.106 25543 360 1 1 . 1 1 71 71 SER CA C 71 60.463 60.463 62.115 -1.653 25543 361 1 1 . 1 1 71 71 SER CB C 71 63.135 63.135 62.565 0.570 25543 362 1 1 . 1 1 71 71 SER H H 71 8.161 8.161 8.208 -0.047 25543 363 1 1 . 1 1 72 72 GLU N N 72 122.328 122.328 122.013 0.315 25543 364 1 1 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.109 0.004 25543 365 1 1 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.856 -0.740 25543 366 1 1 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.588 -0.161 25543 367 1 1 . 1 1 72 72 GLU H H 72 8.247 8.247 7.862 0.385 25543 368 1 1 . 1 1 73 73 PHE N N 73 120.564 120.564 120.304 0.260 25543 369 1 1 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.156 0.244 25543 370 1 1 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.404 -1.907 25543 371 1 1 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.531 -0.349 25543 372 1 1 . 1 1 73 73 PHE H H 73 8.126 8.126 7.967 0.159 25543 373 1 1 . 1 1 74 74 LEU N N 74 120.761 120.761 116.600 4.161 25543 374 1 1 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.066 0.086 25543 375 1 1 . 1 1 74 74 LEU CA C 74 55.890 55.890 57.182 -1.292 25543 376 1 1 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.187 -0.081 25543 377 1 1 . 1 1 74 74 LEU H H 74 8.127 8.127 8.298 -0.171 25543 378 1 1 . 1 1 75 75 SER N N 75 115.178 115.178 112.328 2.850 25543 379 1 1 . 1 1 75 75 SER HA H 75 4.357 4.357 4.459 -0.102 25543 380 1 1 . 1 1 75 75 SER CA C 75 58.921 58.921 58.630 0.291 25543 381 1 1 . 1 1 75 75 SER CB C 75 63.534 63.534 63.013 0.521 25543 382 1 1 . 1 1 75 75 SER H H 75 8.003 8.003 7.701 0.302 25543 383 1 1 . 1 1 76 76 ARG N N 76 122.367 122.367 127.153 -4.786 25543 384 1 1 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.457 -0.143 25543 385 1 1 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.389 0.017 25543 386 1 1 . 1 1 76 76 ARG CB C 76 30.832 30.832 31.325 -0.493 25543 387 1 1 . 1 1 76 76 ARG H H 76 7.985 7.985 8.193 -0.208 25543 388 1 1 . 1 1 77 77 GLY N N 77 109.723 109.723 108.476 1.247 25543 389 1 1 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.733 -0.333 25543 390 1 1 . 1 1 77 77 GLY H H 77 8.151 8.151 7.984 0.167 25543 391 1 1 . 1 1 78 78 PRO HA H 78 4.365 4.365 5.052 -0.687 25543 392 1 1 . 1 1 78 78 PRO C C 78 173.976 173.976 177.256 -3.280 25543 393 1 1 . 1 1 78 78 PRO CA C 78 63.226 63.226 64.322 -1.096 25543 394 1 1 . 1 1 78 78 PRO CB C 78 32.028 32.028 32.156 -0.128 25543 395 1 2 . 1 1 7 7 GLN N N 7 120.283 120.283 121.075 -0.792 25543 396 1 2 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.943 0.192 25543 397 1 2 . 1 1 7 7 GLN C C 7 174.902 174.902 177.789 -2.887 25543 398 1 2 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.139 -1.821 25543 399 1 2 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.165 0.535 25543 400 1 2 . 1 1 7 7 GLN H H 7 8.340 8.340 8.689 -0.349 25543 401 1 2 . 1 1 8 8 GLN N N 8 120.710 120.710 116.747 3.963 25543 402 1 2 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.028 0.019 25543 403 1 2 . 1 1 8 8 GLN C C 8 174.564 174.564 178.405 -3.841 25543 404 1 2 . 1 1 8 8 GLN CA C 8 58.101 58.101 59.065 -0.964 25543 405 1 2 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.694 0.800 25543 406 1 2 . 1 1 8 8 GLN H H 8 8.434 8.434 8.743 -0.309 25543 407 1 2 . 1 1 9 9 ALA N N 9 122.740 122.740 122.859 -0.119 25543 408 1 2 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.131 0.062 25543 409 1 2 . 1 1 9 9 ALA C C 9 177.504 177.504 179.713 -2.209 25543 410 1 2 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.914 -0.332 25543 411 1 2 . 1 1 9 9 ALA CB C 9 18.131 18.131 17.942 0.189 25543 412 1 2 . 1 1 9 9 ALA H H 9 8.144 8.144 7.304 0.840 25543 413 1 2 . 1 1 10 10 VAL N N 10 120.344 120.344 119.443 0.901 25543 414 1 2 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.705 0.090 25543 415 1 2 . 1 1 10 10 VAL C C 10 175.143 175.143 177.884 -2.741 25543 416 1 2 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.458 -0.032 25543 417 1 2 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.292 0.776 25543 418 1 2 . 1 1 10 10 VAL H H 10 7.854 7.854 7.910 -0.056 25543 419 1 2 . 1 1 11 11 LEU N N 11 121.896 121.896 120.666 1.230 25543 420 1 2 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.917 0.218 25543 421 1 2 . 1 1 11 11 LEU C C 11 177.143 177.143 179.345 -2.202 25543 422 1 2 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.352 -0.662 25543 423 1 2 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.372 0.271 25543 424 1 2 . 1 1 11 11 LEU H H 11 7.936 7.936 8.838 -0.902 25543 425 1 2 . 1 1 12 12 GLU N N 12 120.197 120.197 117.605 2.592 25543 426 1 2 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.936 0.204 25543 427 1 2 . 1 1 12 12 GLU C C 12 175.602 175.602 179.381 -3.779 25543 428 1 2 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.532 -1.026 25543 429 1 2 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.055 0.202 25543 430 1 2 . 1 1 12 12 GLU H H 12 8.310 8.310 7.919 0.391 25543 431 1 2 . 1 1 13 13 GLN N N 13 120.843 120.843 119.685 1.158 25543 432 1 2 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.046 -0.128 25543 433 1 2 . 1 1 13 13 GLN C C 13 174.656 174.656 178.451 -3.795 25543 434 1 2 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.676 -0.255 25543 435 1 2 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.433 -0.329 25543 436 1 2 . 1 1 13 13 GLN H H 13 8.073 8.073 8.295 -0.222 25543 437 1 2 . 1 1 14 14 GLU N N 14 119.589 119.589 120.228 -0.639 25543 438 1 2 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.969 0.129 25543 439 1 2 . 1 1 14 14 GLU C C 14 176.412 176.412 179.098 -2.686 25543 440 1 2 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.533 -0.257 25543 441 1 2 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.496 -0.177 25543 442 1 2 . 1 1 14 14 GLU H H 14 8.340 8.340 8.410 -0.070 25543 443 1 2 . 1 1 15 15 ARG N N 15 120.353 120.353 118.064 2.289 25543 444 1 2 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.981 -0.001 25543 445 1 2 . 1 1 15 15 ARG C C 15 175.896 175.896 178.678 -2.782 25543 446 1 2 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.418 0.085 25543 447 1 2 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.845 -0.011 25543 448 1 2 . 1 1 15 15 ARG H H 15 7.995 7.995 8.242 -0.247 25543 449 1 2 . 1 1 16 16 ARG N N 16 120.490 120.490 119.340 1.150 25543 450 1 2 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.030 0.004 25543 451 1 2 . 1 1 16 16 ARG C C 16 176.476 176.476 178.094 -1.618 25543 452 1 2 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.501 -0.133 25543 453 1 2 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.948 -0.116 25543 454 1 2 . 1 1 16 16 ARG H H 16 8.169 8.169 8.257 -0.088 25543 455 1 2 . 1 1 17 17 ASP N N 17 120.965 120.965 119.428 1.537 25543 456 1 2 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.267 0.172 25543 457 1 2 . 1 1 17 17 ASP C C 17 176.291 176.291 178.720 -2.429 25543 458 1 2 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.566 -0.314 25543 459 1 2 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.808 -0.899 25543 460 1 2 . 1 1 17 17 ASP H H 17 8.684 8.684 8.167 0.517 25543 461 1 2 . 1 1 18 18 ARG N N 18 122.128 122.128 118.778 3.350 25543 462 1 2 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.030 0.101 25543 463 1 2 . 1 1 18 18 ARG C C 18 175.897 175.897 178.841 -2.944 25543 464 1 2 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.812 0.341 25543 465 1 2 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.841 0.286 25543 466 1 2 . 1 1 18 18 ARG H H 18 8.183 8.183 8.328 -0.145 25543 467 1 2 . 1 1 19 19 GLU N N 19 120.044 120.044 119.795 0.249 25543 468 1 2 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.993 0.024 25543 469 1 2 . 1 1 19 19 GLU C C 19 172.902 172.902 179.137 -6.235 25543 470 1 2 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.494 -0.305 25543 471 1 2 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.309 -0.005 25543 472 1 2 . 1 1 19 19 GLU H H 19 8.207 8.207 8.024 0.183 25543 473 1 2 . 1 1 20 20 LEU N N 20 121.172 121.172 120.258 0.914 25543 474 1 2 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.956 0.176 25543 475 1 2 . 1 1 20 20 LEU C C 20 174.935 174.935 179.016 -4.081 25543 476 1 2 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.085 -0.209 25543 477 1 2 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.066 0.604 25543 478 1 2 . 1 1 20 20 LEU H H 20 8.102 8.102 8.295 -0.193 25543 479 1 2 . 1 1 21 21 ALA N N 21 120.754 120.754 121.026 -0.272 25543 480 1 2 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.840 0.247 25543 481 1 2 . 1 1 21 21 ALA C C 21 177.689 177.689 179.818 -2.129 25543 482 1 2 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.046 -0.376 25543 483 1 2 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.385 -0.398 25543 484 1 2 . 1 1 21 21 ALA H H 21 7.864 7.864 8.028 -0.164 25543 485 1 2 . 1 1 22 22 LEU N N 22 119.357 119.357 119.423 -0.066 25543 486 1 2 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.979 0.198 25543 487 1 2 . 1 1 22 22 LEU C C 22 175.842 175.842 178.816 -2.974 25543 488 1 2 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.143 -1.086 25543 489 1 2 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.913 0.051 25543 490 1 2 . 1 1 22 22 LEU H H 22 7.901 7.901 8.291 -0.390 25543 491 1 2 . 1 1 23 23 ARG N N 23 120.416 120.416 119.443 0.973 25543 492 1 2 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.910 0.241 25543 493 1 2 . 1 1 23 23 ARG C C 23 176.236 176.236 178.997 -2.761 25543 494 1 2 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.911 -1.377 25543 495 1 2 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.126 0.031 25543 496 1 2 . 1 1 23 23 ARG H H 23 7.890 7.890 7.954 -0.064 25543 497 1 2 . 1 1 24 24 ILE N N 24 121.088 121.088 119.610 1.478 25543 498 1 2 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.547 0.330 25543 499 1 2 . 1 1 24 24 ILE C C 24 174.946 174.946 177.810 -2.864 25543 500 1 2 . 1 1 24 24 ILE CA C 24 63.614 63.614 65.367 -1.753 25543 501 1 2 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.447 0.768 25543 502 1 2 . 1 1 24 24 ILE H H 24 8.254 8.254 8.165 0.089 25543 503 1 2 . 1 1 25 25 ALA N N 25 124.216 124.216 121.985 2.231 25543 504 1 2 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.854 0.368 25543 505 1 2 . 1 1 25 25 ALA C C 25 176.883 176.883 179.953 -3.070 25543 506 1 2 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.112 -1.040 25543 507 1 2 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.101 0.376 25543 508 1 2 . 1 1 25 25 ALA H H 25 8.053 8.053 8.048 0.005 25543 509 1 2 . 1 1 26 26 GLN N N 26 118.617 118.617 116.378 2.239 25543 510 1 2 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.037 0.166 25543 511 1 2 . 1 1 26 26 GLN C C 26 174.564 174.564 178.651 -4.087 25543 512 1 2 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.508 -1.289 25543 513 1 2 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.544 0.325 25543 514 1 2 . 1 1 26 26 GLN H H 26 8.269 8.269 8.341 -0.072 25543 515 1 2 . 1 1 27 27 SER N N 27 116.340 116.340 116.603 -0.263 25543 516 1 2 . 1 1 27 27 SER HA H 27 4.350 4.350 4.181 0.169 25543 517 1 2 . 1 1 27 27 SER C C 27 172.902 172.902 176.409 -3.507 25543 518 1 2 . 1 1 27 27 SER CA C 27 59.941 59.941 61.545 -1.604 25543 519 1 2 . 1 1 27 27 SER CB C 27 63.458 63.458 62.995 0.464 25543 520 1 2 . 1 1 27 27 SER H H 27 8.195 8.195 8.255 -0.060 25543 521 1 2 . 1 1 28 28 GLU N N 28 122.168 122.168 121.135 1.033 25543 522 1 2 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.017 0.150 25543 523 1 2 . 1 1 28 28 GLU C C 28 174.568 174.568 178.690 -4.122 25543 524 1 2 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.952 -1.076 25543 525 1 2 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.478 0.482 25543 526 1 2 . 1 1 28 28 GLU H H 28 8.316 8.316 8.437 -0.121 25543 527 1 2 . 1 1 29 29 ALA N N 29 122.950 122.950 122.312 0.638 25543 528 1 2 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.127 0.076 25543 529 1 2 . 1 1 29 29 ALA C C 29 176.938 176.938 179.320 -2.382 25543 530 1 2 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.491 -1.134 25543 531 1 2 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.961 -0.108 25543 532 1 2 . 1 1 29 29 ALA H H 29 8.029 8.029 8.031 -0.002 25543 533 1 2 . 1 1 30 30 GLU N N 30 119.092 119.092 116.565 2.527 25543 534 1 2 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.213 -0.059 25543 535 1 2 . 1 1 30 30 GLU C C 30 174.531 174.531 177.582 -3.051 25543 536 1 2 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.583 0.506 25543 537 1 2 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.404 -0.463 25543 538 1 2 . 1 1 30 30 GLU H H 30 8.104 8.104 7.820 0.284 25543 539 1 2 . 1 1 31 31 LEU N N 31 122.322 122.322 119.046 3.276 25543 540 1 2 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.998 0.290 25543 541 1 2 . 1 1 31 31 LEU C C 31 176.006 176.006 176.412 -0.406 25543 542 1 2 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.106 -0.408 25543 543 1 2 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.815 1.304 25543 544 1 2 . 1 1 31 31 LEU H H 31 8.016 8.016 8.372 -0.356 25543 545 1 2 . 1 1 32 32 ILE N N 32 121.365 121.365 118.367 2.998 25543 546 1 2 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.020 0.132 25543 547 1 2 . 1 1 32 32 ILE CA C 32 61.344 61.344 63.032 -1.688 25543 548 1 2 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.145 0.384 25543 549 1 2 . 1 1 32 32 ILE H H 32 8.050 8.050 7.654 0.396 25543 550 1 2 . 1 1 33 33 SER N N 33 120.203 120.203 115.429 4.774 25543 551 1 2 . 1 1 33 33 SER HA H 33 4.409 4.409 4.309 0.100 25543 552 1 2 . 1 1 33 33 SER CA C 33 58.468 58.468 58.258 0.210 25543 553 1 2 . 1 1 33 33 SER CB C 33 64.021 64.021 61.419 2.602 25543 554 1 2 . 1 1 33 33 SER H H 33 8.391 8.391 8.339 0.052 25543 555 1 2 . 1 1 34 34 ASP N N 34 123.136 123.136 123.329 -0.193 25543 556 1 2 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.330 0.164 25543 557 1 2 . 1 1 34 34 ASP C C 34 175.121 175.121 177.896 -2.775 25543 558 1 2 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.524 -1.844 25543 559 1 2 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.110 -0.432 25543 560 1 2 . 1 1 34 34 ASP H H 34 8.629 8.629 8.634 -0.005 25543 561 1 2 . 1 1 35 35 GLU N N 35 121.638 121.638 119.426 2.212 25543 562 1 2 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.004 0.104 25543 563 1 2 . 1 1 35 35 GLU C C 35 174.886 174.886 178.016 -3.130 25543 564 1 2 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.296 -0.711 25543 565 1 2 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.814 0.719 25543 566 1 2 . 1 1 35 35 GLU H H 35 8.579 8.579 8.414 0.165 25543 567 1 2 . 1 1 36 36 ALA N N 36 123.946 123.946 123.747 0.199 25543 568 1 2 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.911 0.318 25543 569 1 2 . 1 1 36 36 ALA C C 36 177.012 177.012 179.954 -2.942 25543 570 1 2 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.094 -1.286 25543 571 1 2 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.116 0.429 25543 572 1 2 . 1 1 36 36 ALA H H 36 8.235 8.235 7.531 0.704 25543 573 1 2 . 1 1 37 37 GLN N N 37 118.885 118.885 118.136 0.749 25543 574 1 2 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.872 0.254 25543 575 1 2 . 1 1 37 37 GLN C C 37 174.897 174.897 178.647 -3.750 25543 576 1 2 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.434 -1.033 25543 577 1 2 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.718 1.063 25543 578 1 2 . 1 1 37 37 GLN H H 37 8.295 8.295 7.709 0.586 25543 579 1 2 . 1 1 38 38 ALA N N 38 124.163 124.163 122.352 1.811 25543 580 1 2 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.922 0.252 25543 581 1 2 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.045 -0.949 25543 582 1 2 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.238 0.218 25543 583 1 2 . 1 1 38 38 ALA H H 38 8.217 8.217 8.188 0.029 25543 584 1 2 . 1 1 39 39 ASP N N 39 119.226 119.226 120.355 -1.129 25543 585 1 2 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.309 0.167 25543 586 1 2 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.220 -1.376 25543 587 1 2 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.218 0.761 25543 588 1 2 . 1 1 39 39 ASP H H 39 8.145 8.145 8.396 -0.251 25543 589 1 2 . 1 1 40 40 LEU N N 40 121.976 121.976 120.241 1.735 25543 590 1 2 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.882 0.183 25543 591 1 2 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.371 -1.241 25543 592 1 2 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.244 0.718 25543 593 1 2 . 1 1 40 40 LEU H H 40 8.018 8.018 8.419 -0.401 25543 594 1 2 . 1 1 41 41 ALA N N 41 121.547 121.547 121.284 0.263 25543 595 1 2 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.018 0.082 25543 596 1 2 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.088 -1.029 25543 597 1 2 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.483 -0.287 25543 598 1 2 . 1 1 41 41 ALA H H 41 8.076 8.076 7.913 0.163 25543 599 1 2 . 1 1 42 42 LEU N N 42 119.599 119.599 117.256 2.343 25543 600 1 2 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.127 0.070 25543 601 1 2 . 1 1 42 42 LEU CA C 42 56.402 56.402 56.343 0.059 25543 602 1 2 . 1 1 42 42 LEU CB C 42 42.026 42.026 42.102 -0.076 25543 603 1 2 . 1 1 42 42 LEU H H 42 7.832 7.832 7.918 -0.086 25543 604 1 2 . 1 1 43 43 ARG N N 43 120.126 120.126 120.224 -0.098 25543 605 1 2 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.085 0.036 25543 606 1 2 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.437 -0.759 25543 607 1 2 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.827 -0.633 25543 608 1 2 . 1 1 43 43 ARG H H 43 8.047 8.047 8.248 -0.201 25543 609 1 2 . 1 1 44 44 ARG N N 44 120.206 120.206 117.654 2.552 25543 610 1 2 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.207 0.032 25543 611 1 2 . 1 1 44 44 ARG C C 44 173.165 173.165 176.728 -3.563 25543 612 1 2 . 1 1 44 44 ARG CA C 44 57.111 57.111 56.965 0.146 25543 613 1 2 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.632 0.960 25543 614 1 2 . 1 1 44 44 ARG H H 44 8.206 8.206 8.129 0.077 25543 615 1 2 . 1 1 45 45 SER N N 45 116.312 116.312 115.294 1.018 25543 616 1 2 . 1 1 45 45 SER HA H 45 4.369 4.369 4.271 0.098 25543 617 1 2 . 1 1 45 45 SER C C 45 170.903 170.903 175.250 -4.347 25543 618 1 2 . 1 1 45 45 SER CA C 45 59.151 59.151 58.721 0.430 25543 619 1 2 . 1 1 45 45 SER CB C 45 63.539 63.539 62.029 1.510 25543 620 1 2 . 1 1 45 45 SER H H 45 8.171 8.171 7.777 0.394 25543 621 1 2 . 1 1 46 46 LEU N N 46 123.524 123.524 128.520 -4.996 25543 622 1 2 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.185 0.105 25543 623 1 2 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.119 -0.400 25543 624 1 2 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.339 -0.268 25543 625 1 2 . 1 1 46 46 LEU H H 46 8.168 8.168 8.056 0.112 25543 626 1 2 . 1 1 47 47 ASP N N 47 119.853 119.853 116.781 3.072 25543 627 1 2 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.343 0.194 25543 628 1 2 . 1 1 47 47 ASP C C 47 173.143 173.143 176.776 -3.633 25543 629 1 2 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.305 -0.566 25543 630 1 2 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.161 0.776 25543 631 1 2 . 1 1 47 47 ASP H H 47 8.154 8.154 8.420 -0.266 25543 632 1 2 . 1 1 48 48 SER N N 48 114.867 114.867 115.423 -0.556 25543 633 1 2 . 1 1 48 48 SER HA H 48 4.340 4.340 3.947 0.393 25543 634 1 2 . 1 1 48 48 SER C C 48 170.816 170.816 175.138 -4.322 25543 635 1 2 . 1 1 48 48 SER CA C 48 58.345 58.345 60.678 -2.333 25543 636 1 2 . 1 1 48 48 SER CB C 48 63.835 63.835 62.828 1.007 25543 637 1 2 . 1 1 48 48 SER H H 48 7.960 7.960 7.257 0.703 25543 638 1 2 . 1 1 49 49 TYR N N 49 123.355 123.355 120.926 2.429 25543 639 1 2 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.575 0.160 25543 640 1 2 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.918 0.223 25543 641 1 2 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.041 1.103 25543 642 1 2 . 1 1 49 49 TYR H H 49 8.102 8.102 7.209 0.893 25543 643 1 2 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.315 0.112 25543 644 1 2 . 1 1 50 50 PRO C C 50 173.908 173.908 175.975 -2.067 25543 645 1 2 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.195 -0.150 25543 646 1 2 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.229 -0.337 25543 647 1 2 . 1 1 51 51 VAL N N 51 120.746 120.746 116.468 4.278 25543 648 1 2 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.520 -0.432 25543 649 1 2 . 1 1 51 51 VAL C C 51 173.504 173.504 175.631 -2.127 25543 650 1 2 . 1 1 51 51 VAL CA C 51 62.302 62.302 60.831 1.470 25543 651 1 2 . 1 1 51 51 VAL CB C 51 32.866 32.866 33.519 -0.653 25543 652 1 2 . 1 1 51 51 VAL H H 51 8.270 8.270 8.005 0.265 25543 653 1 2 . 1 1 52 52 SER N N 52 119.837 119.837 121.524 -1.687 25543 654 1 2 . 1 1 52 52 SER HA H 52 4.429 4.429 4.511 -0.082 25543 655 1 2 . 1 1 52 52 SER C C 52 171.799 171.799 175.042 -3.243 25543 656 1 2 . 1 1 52 52 SER CA C 52 58.088 58.088 58.247 -0.159 25543 657 1 2 . 1 1 52 52 SER CB C 52 63.948 63.948 63.653 0.295 25543 658 1 2 . 1 1 52 52 SER H H 52 8.493 8.493 8.348 0.145 25543 659 1 2 . 1 1 53 53 LYS N N 53 123.948 123.948 125.930 -1.982 25543 660 1 2 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.324 -0.053 25543 661 1 2 . 1 1 53 53 LYS C C 53 173.547 173.547 176.550 -3.003 25543 662 1 2 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.087 0.413 25543 663 1 2 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.082 -0.115 25543 664 1 2 . 1 1 53 53 LYS H H 53 8.531 8.531 8.472 0.059 25543 665 1 2 . 1 1 54 54 ASN N N 54 119.853 119.853 116.769 3.084 25543 666 1 2 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.396 0.303 25543 667 1 2 . 1 1 54 54 ASN C C 54 172.115 172.115 173.964 -1.849 25543 668 1 2 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.215 -1.003 25543 669 1 2 . 1 1 54 54 ASN CB C 54 38.801 38.801 37.159 1.642 25543 670 1 2 . 1 1 54 54 ASN H H 54 8.532 8.532 8.848 -0.316 25543 671 1 2 . 1 1 55 55 ASP N N 55 121.271 121.271 121.309 -0.038 25543 672 1 2 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.700 -0.126 25543 673 1 2 . 1 1 55 55 ASP C C 55 174.105 174.105 176.922 -2.817 25543 674 1 2 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.600 -0.441 25543 675 1 2 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.330 -0.290 25543 676 1 2 . 1 1 55 55 ASP H H 55 8.297 8.297 7.845 0.452 25543 677 1 2 . 1 1 56 56 GLY N N 56 109.368 109.368 110.891 -1.523 25543 678 1 2 . 1 1 56 56 GLY C C 56 171.941 171.941 174.461 -2.520 25543 679 1 2 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.971 -0.460 25543 680 1 2 . 1 1 56 56 GLY H H 56 8.497 8.497 8.473 0.024 25543 681 1 2 . 1 1 57 57 THR N N 57 113.628 113.628 112.248 1.380 25543 682 1 2 . 1 1 57 57 THR HA H 57 4.275 4.275 4.366 -0.091 25543 683 1 2 . 1 1 57 57 THR C C 57 171.744 171.744 174.041 -2.297 25543 684 1 2 . 1 1 57 57 THR CA C 57 62.240 62.240 60.696 1.544 25543 685 1 2 . 1 1 57 57 THR CB C 57 69.941 69.941 67.764 2.177 25543 686 1 2 . 1 1 57 57 THR H H 57 8.156 8.156 8.170 -0.014 25543 687 1 2 . 1 1 58 58 ARG N N 58 124.521 124.521 124.917 -0.396 25543 688 1 2 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.615 0.005 25543 689 1 2 . 1 1 58 58 ARG C C 58 171.187 171.187 175.311 -4.124 25543 690 1 2 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.277 -0.308 25543 691 1 2 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.209 -0.063 25543 692 1 2 . 1 1 58 58 ARG H H 58 8.322 8.322 7.691 0.631 25543 693 1 2 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.416 -0.034 25543 694 1 2 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.740 0.163 25543 695 1 2 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.248 -0.055 25543 696 1 2 . 1 1 60 60 LYS N N 60 122.142 122.142 118.802 3.340 25543 697 1 2 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.085 0.118 25543 698 1 2 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.614 -0.285 25543 699 1 2 . 1 1 60 60 LYS CB C 60 32.805 32.805 32.312 0.493 25543 700 1 2 . 1 1 60 60 LYS H H 60 8.513 8.513 8.395 0.118 25543 701 1 2 . 1 1 61 61 MET N N 61 122.695 122.695 122.449 0.246 25543 702 1 2 . 1 1 61 61 MET HA H 61 4.598 4.598 4.579 0.019 25543 703 1 2 . 1 1 61 61 MET C C 61 173.077 173.077 175.591 -2.514 25543 704 1 2 . 1 1 61 61 MET CA C 61 55.296 55.296 55.033 0.263 25543 705 1 2 . 1 1 61 61 MET CB C 61 34.491 34.491 33.482 1.009 25543 706 1 2 . 1 1 61 61 MET H H 61 8.446 8.446 8.438 0.008 25543 707 1 2 . 1 1 62 62 THR N N 62 115.170 115.170 118.070 -2.900 25543 708 1 2 . 1 1 62 62 THR HA H 62 4.620 4.620 4.758 -0.138 25543 709 1 2 . 1 1 62 62 THR C C 62 170.881 170.881 173.323 -2.442 25543 710 1 2 . 1 1 62 62 THR CA C 62 59.858 59.858 58.405 1.453 25543 711 1 2 . 1 1 62 62 THR CB C 62 68.752 68.752 69.726 -0.974 25543 712 1 2 . 1 1 62 62 THR H H 62 8.437 8.437 8.113 0.324 25543 713 1 2 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.055 0.219 25543 714 1 2 . 1 1 63 63 PRO CA C 63 65.374 65.374 66.019 -0.645 25543 715 1 2 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.790 -0.027 25543 716 1 2 . 1 1 64 64 GLU N N 64 118.596 118.596 116.675 1.921 25543 717 1 2 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.948 0.115 25543 718 1 2 . 1 1 64 64 GLU CA C 64 59.613 59.613 60.116 -0.503 25543 719 1 2 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.193 -0.176 25543 720 1 2 . 1 1 64 64 GLU H H 64 8.813 8.813 8.819 -0.006 25543 721 1 2 . 1 1 65 65 GLN N N 65 121.250 121.250 118.584 2.666 25543 722 1 2 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.937 0.109 25543 723 1 2 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.728 -0.612 25543 724 1 2 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.679 0.032 25543 725 1 2 . 1 1 65 65 GLN H H 65 7.964 7.964 7.626 0.338 25543 726 1 2 . 1 1 66 66 MET N N 66 120.082 120.082 118.992 1.090 25543 727 1 2 . 1 1 66 66 MET HA H 66 4.156 4.156 3.974 0.182 25543 728 1 2 . 1 1 66 66 MET CA C 66 58.241 58.241 59.529 -1.288 25543 729 1 2 . 1 1 66 66 MET CB C 66 32.558 32.558 32.471 0.087 25543 730 1 2 . 1 1 66 66 MET H H 66 8.429 8.429 8.218 0.211 25543 731 1 2 . 1 1 67 67 ALA N N 67 122.222 122.222 121.465 0.757 25543 732 1 2 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.891 0.266 25543 733 1 2 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.383 -1.112 25543 734 1 2 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.977 0.302 25543 735 1 2 . 1 1 67 67 ALA H H 67 8.106 8.106 8.401 -0.295 25543 736 1 2 . 1 1 68 68 LYS N N 68 120.031 120.031 119.066 0.965 25543 737 1 2 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.912 0.215 25543 738 1 2 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.605 -1.232 25543 739 1 2 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.255 0.349 25543 740 1 2 . 1 1 68 68 LYS H H 68 7.815 7.815 8.417 -0.602 25543 741 1 2 . 1 1 69 69 GLU N N 69 119.896 119.896 119.565 0.331 25543 742 1 2 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.896 0.227 25543 743 1 2 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.478 -0.929 25543 744 1 2 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.500 -0.090 25543 745 1 2 . 1 1 69 69 GLU H H 69 8.149 8.149 8.497 -0.348 25543 746 1 2 . 1 1 70 70 MET N N 70 119.261 119.261 118.351 0.910 25543 747 1 2 . 1 1 70 70 MET HA H 70 4.434 4.434 4.173 0.261 25543 748 1 2 . 1 1 70 70 MET C C 70 174.607 174.607 178.669 -4.062 25543 749 1 2 . 1 1 70 70 MET CA C 70 56.884 56.884 57.759 -0.875 25543 750 1 2 . 1 1 70 70 MET CB C 70 32.159 32.159 31.837 0.323 25543 751 1 2 . 1 1 70 70 MET H H 70 8.215 8.215 8.739 -0.524 25543 752 1 2 . 1 1 71 71 SER N N 71 115.618 115.618 114.849 0.769 25543 753 1 2 . 1 1 71 71 SER HA H 71 4.265 4.265 4.121 0.144 25543 754 1 2 . 1 1 71 71 SER CA C 71 60.463 60.463 62.089 -1.626 25543 755 1 2 . 1 1 71 71 SER CB C 71 63.135 63.135 63.088 0.047 25543 756 1 2 . 1 1 71 71 SER H H 71 8.161 8.161 8.406 -0.245 25543 757 1 2 . 1 1 72 72 GLU N N 72 122.328 122.328 122.108 0.220 25543 758 1 2 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.101 0.012 25543 759 1 2 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.968 -0.852 25543 760 1 2 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.615 -0.188 25543 761 1 2 . 1 1 72 72 GLU H H 72 8.247 8.247 8.067 0.180 25543 762 1 2 . 1 1 73 73 PHE N N 73 120.564 120.564 118.331 2.233 25543 763 1 2 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.265 0.135 25543 764 1 2 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.765 -1.268 25543 765 1 2 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.722 -0.541 25543 766 1 2 . 1 1 73 73 PHE H H 73 8.126 8.126 8.064 0.062 25543 767 1 2 . 1 1 74 74 LEU N N 74 120.761 120.761 116.719 4.042 25543 768 1 2 . 1 1 74 74 LEU HA H 74 4.152 4.152 3.988 0.164 25543 769 1 2 . 1 1 74 74 LEU CA C 74 55.890 55.890 55.736 0.154 25543 770 1 2 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.866 0.240 25543 771 1 2 . 1 1 74 74 LEU H H 74 8.127 8.127 8.382 -0.255 25543 772 1 2 . 1 1 75 75 SER N N 75 115.178 115.178 112.727 2.451 25543 773 1 2 . 1 1 75 75 SER HA H 75 4.357 4.357 4.074 0.283 25543 774 1 2 . 1 1 75 75 SER CA C 75 58.921 58.921 59.590 -0.669 25543 775 1 2 . 1 1 75 75 SER CB C 75 63.534 63.534 62.960 0.574 25543 776 1 2 . 1 1 75 75 SER H H 75 8.003 8.003 7.727 0.276 25543 777 1 2 . 1 1 76 76 ARG N N 76 122.367 122.367 123.242 -0.875 25543 778 1 2 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.267 0.047 25543 779 1 2 . 1 1 76 76 ARG CA C 76 56.406 56.406 57.596 -1.190 25543 780 1 2 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.735 0.097 25543 781 1 2 . 1 1 76 76 ARG H H 76 7.985 7.985 8.513 -0.528 25543 782 1 2 . 1 1 77 77 GLY N N 77 109.723 109.723 106.120 3.603 25543 783 1 2 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.256 0.144 25543 784 1 2 . 1 1 77 77 GLY H H 77 8.151 8.151 8.051 0.100 25543 785 1 2 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.324 0.041 25543 786 1 2 . 1 1 78 78 PRO C C 78 173.976 173.976 175.959 -1.983 25543 787 1 2 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.735 -0.509 25543 788 1 2 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.895 0.133 25543 789 1 3 . 1 1 7 7 GLN N N 7 120.283 120.283 121.194 -0.911 25543 790 1 3 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.979 0.156 25543 791 1 3 . 1 1 7 7 GLN C C 7 174.902 174.902 177.953 -3.051 25543 792 1 3 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.887 -1.569 25543 793 1 3 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.794 0.906 25543 794 1 3 . 1 1 7 7 GLN H H 7 8.340 8.340 8.753 -0.413 25543 795 1 3 . 1 1 8 8 GLN N N 8 120.710 120.710 117.217 3.493 25543 796 1 3 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.037 0.010 25543 797 1 3 . 1 1 8 8 GLN C C 8 174.564 174.564 178.180 -3.616 25543 798 1 3 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.731 -0.630 25543 799 1 3 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.726 0.768 25543 800 1 3 . 1 1 8 8 GLN H H 8 8.434 8.434 8.790 -0.356 25543 801 1 3 . 1 1 9 9 ALA N N 9 122.740 122.740 122.528 0.212 25543 802 1 3 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.046 0.147 25543 803 1 3 . 1 1 9 9 ALA C C 9 177.504 177.504 179.330 -1.826 25543 804 1 3 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.910 -0.328 25543 805 1 3 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.154 -0.023 25543 806 1 3 . 1 1 9 9 ALA H H 9 8.144 8.144 7.562 0.582 25543 807 1 3 . 1 1 10 10 VAL N N 10 120.344 120.344 119.279 1.065 25543 808 1 3 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.634 0.161 25543 809 1 3 . 1 1 10 10 VAL C C 10 175.143 175.143 177.717 -2.574 25543 810 1 3 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.870 -0.444 25543 811 1 3 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.892 0.176 25543 812 1 3 . 1 1 10 10 VAL H H 10 7.854 7.854 7.833 0.021 25543 813 1 3 . 1 1 11 11 LEU N N 11 121.896 121.896 120.473 1.423 25543 814 1 3 . 1 1 11 11 LEU HA H 11 4.135 4.135 4.047 0.088 25543 815 1 3 . 1 1 11 11 LEU C C 11 177.143 177.143 179.062 -1.919 25543 816 1 3 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.393 -0.703 25543 817 1 3 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.365 0.278 25543 818 1 3 . 1 1 11 11 LEU H H 11 7.936 7.936 8.753 -0.817 25543 819 1 3 . 1 1 12 12 GLU N N 12 120.197 120.197 118.212 1.985 25543 820 1 3 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.826 0.314 25543 821 1 3 . 1 1 12 12 GLU C C 12 175.602 175.602 179.263 -3.661 25543 822 1 3 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.642 -1.136 25543 823 1 3 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.207 0.050 25543 824 1 3 . 1 1 12 12 GLU H H 12 8.310 8.310 7.953 0.357 25543 825 1 3 . 1 1 13 13 GLN N N 13 120.843 120.843 118.691 2.152 25543 826 1 3 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.016 -0.098 25543 827 1 3 . 1 1 13 13 GLN C C 13 174.656 174.656 178.289 -3.633 25543 828 1 3 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.821 -0.400 25543 829 1 3 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.446 -0.342 25543 830 1 3 . 1 1 13 13 GLN H H 13 8.073 8.073 8.271 -0.198 25543 831 1 3 . 1 1 14 14 GLU N N 14 119.589 119.589 120.012 -0.423 25543 832 1 3 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.899 0.199 25543 833 1 3 . 1 1 14 14 GLU C C 14 176.412 176.412 179.016 -2.604 25543 834 1 3 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.705 -0.429 25543 835 1 3 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.395 -0.076 25543 836 1 3 . 1 1 14 14 GLU H H 14 8.340 8.340 8.624 -0.284 25543 837 1 3 . 1 1 15 15 ARG N N 15 120.353 120.353 118.283 2.070 25543 838 1 3 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.890 0.090 25543 839 1 3 . 1 1 15 15 ARG C C 15 175.896 175.896 178.551 -2.655 25543 840 1 3 . 1 1 15 15 ARG CA C 15 59.503 59.503 60.099 -0.596 25543 841 1 3 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.021 -0.187 25543 842 1 3 . 1 1 15 15 ARG H H 15 7.995 7.995 8.635 -0.640 25543 843 1 3 . 1 1 16 16 ARG N N 16 120.490 120.490 119.429 1.061 25543 844 1 3 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.933 0.101 25543 845 1 3 . 1 1 16 16 ARG C C 16 176.476 176.476 178.080 -1.604 25543 846 1 3 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.744 -0.376 25543 847 1 3 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.995 -0.163 25543 848 1 3 . 1 1 16 16 ARG H H 16 8.169 8.169 8.202 -0.033 25543 849 1 3 . 1 1 17 17 ASP N N 17 120.965 120.965 118.829 2.136 25543 850 1 3 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.277 0.162 25543 851 1 3 . 1 1 17 17 ASP C C 17 176.291 176.291 178.775 -2.484 25543 852 1 3 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.766 -0.514 25543 853 1 3 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.777 -0.868 25543 854 1 3 . 1 1 17 17 ASP H H 17 8.684 8.684 8.255 0.429 25543 855 1 3 . 1 1 18 18 ARG N N 18 122.128 122.128 119.214 2.914 25543 856 1 3 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.931 0.200 25543 857 1 3 . 1 1 18 18 ARG C C 18 175.897 175.897 178.881 -2.984 25543 858 1 3 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.690 -0.537 25543 859 1 3 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.227 -0.100 25543 860 1 3 . 1 1 18 18 ARG H H 18 8.183 8.183 8.457 -0.274 25543 861 1 3 . 1 1 19 19 GLU N N 19 120.044 120.044 119.740 0.304 25543 862 1 3 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.974 0.043 25543 863 1 3 . 1 1 19 19 GLU C C 19 172.902 172.902 179.203 -6.301 25543 864 1 3 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.579 -0.390 25543 865 1 3 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.321 -0.017 25543 866 1 3 . 1 1 19 19 GLU H H 19 8.207 8.207 8.477 -0.270 25543 867 1 3 . 1 1 20 20 LEU N N 20 121.172 121.172 120.285 0.887 25543 868 1 3 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.945 0.187 25543 869 1 3 . 1 1 20 20 LEU C C 20 174.935 174.935 178.950 -4.015 25543 870 1 3 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.304 -0.429 25543 871 1 3 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.172 0.498 25543 872 1 3 . 1 1 20 20 LEU H H 20 8.102 8.102 8.256 -0.154 25543 873 1 3 . 1 1 21 21 ALA N N 21 120.754 120.754 121.297 -0.543 25543 874 1 3 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.965 0.122 25543 875 1 3 . 1 1 21 21 ALA C C 21 177.689 177.689 180.131 -2.442 25543 876 1 3 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.003 -0.333 25543 877 1 3 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.228 -0.241 25543 878 1 3 . 1 1 21 21 ALA H H 21 7.864 7.864 7.963 -0.099 25543 879 1 3 . 1 1 22 22 LEU N N 22 119.357 119.357 119.376 -0.019 25543 880 1 3 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.019 0.158 25543 881 1 3 . 1 1 22 22 LEU C C 22 175.842 175.842 178.910 -3.068 25543 882 1 3 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.012 -0.955 25543 883 1 3 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.956 0.007 25543 884 1 3 . 1 1 22 22 LEU H H 22 7.901 7.901 8.615 -0.714 25543 885 1 3 . 1 1 23 23 ARG N N 23 120.416 120.416 119.428 0.988 25543 886 1 3 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.918 0.233 25543 887 1 3 . 1 1 23 23 ARG C C 23 176.236 176.236 179.044 -2.808 25543 888 1 3 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.272 -1.738 25543 889 1 3 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.366 -0.209 25543 890 1 3 . 1 1 23 23 ARG H H 23 7.890 7.890 8.273 -0.383 25543 891 1 3 . 1 1 24 24 ILE N N 24 121.088 121.088 119.119 1.969 25543 892 1 3 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.804 0.073 25543 893 1 3 . 1 1 24 24 ILE C C 24 174.946 174.946 177.851 -2.905 25543 894 1 3 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.534 -0.920 25543 895 1 3 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.557 0.658 25543 896 1 3 . 1 1 24 24 ILE H H 24 8.254 8.254 8.520 -0.266 25543 897 1 3 . 1 1 25 25 ALA N N 25 124.216 124.216 123.509 0.707 25543 898 1 3 . 1 1 25 25 ALA HA H 25 4.222 4.222 4.073 0.149 25543 899 1 3 . 1 1 25 25 ALA C C 25 176.883 176.883 179.361 -2.478 25543 900 1 3 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.139 -1.066 25543 901 1 3 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.478 -0.001 25543 902 1 3 . 1 1 25 25 ALA H H 25 8.053 8.053 8.020 0.033 25543 903 1 3 . 1 1 26 26 GLN N N 26 118.617 118.617 117.769 0.848 25543 904 1 3 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.040 0.163 25543 905 1 3 . 1 1 26 26 GLN C C 26 174.564 174.564 178.400 -3.836 25543 906 1 3 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.608 -1.389 25543 907 1 3 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.426 0.443 25543 908 1 3 . 1 1 26 26 GLN H H 26 8.269 8.269 8.578 -0.309 25543 909 1 3 . 1 1 27 27 SER N N 27 116.340 116.340 117.323 -0.983 25543 910 1 3 . 1 1 27 27 SER HA H 27 4.350 4.350 4.236 0.114 25543 911 1 3 . 1 1 27 27 SER C C 27 172.902 172.902 176.427 -3.525 25543 912 1 3 . 1 1 27 27 SER CA C 27 59.941 59.941 61.606 -1.665 25543 913 1 3 . 1 1 27 27 SER CB C 27 63.458 63.458 63.069 0.390 25543 914 1 3 . 1 1 27 27 SER H H 27 8.195 8.195 8.217 -0.022 25543 915 1 3 . 1 1 28 28 GLU N N 28 122.168 122.168 122.137 0.031 25543 916 1 3 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.169 -0.002 25543 917 1 3 . 1 1 28 28 GLU C C 28 174.568 174.568 178.256 -3.688 25543 918 1 3 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.722 -0.846 25543 919 1 3 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.822 1.138 25543 920 1 3 . 1 1 28 28 GLU H H 28 8.316 8.316 8.139 0.177 25543 921 1 3 . 1 1 29 29 ALA N N 29 122.950 122.950 122.087 0.863 25543 922 1 3 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.216 -0.013 25543 923 1 3 . 1 1 29 29 ALA C C 29 176.938 176.938 179.374 -2.436 25543 924 1 3 . 1 1 29 29 ALA CA C 29 53.357 53.357 53.971 -0.614 25543 925 1 3 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.257 -0.404 25543 926 1 3 . 1 1 29 29 ALA H H 29 8.029 8.029 7.943 0.086 25543 927 1 3 . 1 1 30 30 GLU N N 30 119.092 119.092 116.936 2.156 25543 928 1 3 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.245 -0.091 25543 929 1 3 . 1 1 30 30 GLU C C 30 174.531 174.531 177.019 -2.488 25543 930 1 3 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.413 0.676 25543 931 1 3 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.484 -0.543 25543 932 1 3 . 1 1 30 30 GLU H H 30 8.104 8.104 7.776 0.328 25543 933 1 3 . 1 1 31 31 LEU N N 31 122.322 122.322 120.041 2.281 25543 934 1 3 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.053 0.235 25543 935 1 3 . 1 1 31 31 LEU C C 31 176.006 176.006 175.977 0.029 25543 936 1 3 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.969 -0.271 25543 937 1 3 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.585 1.533 25543 938 1 3 . 1 1 31 31 LEU H H 31 8.016 8.016 8.400 -0.384 25543 939 1 3 . 1 1 32 32 ILE N N 32 121.365 121.365 117.073 4.292 25543 940 1 3 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.167 -0.015 25543 941 1 3 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.231 -0.887 25543 942 1 3 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.963 -0.434 25543 943 1 3 . 1 1 32 32 ILE H H 32 8.050 8.050 7.761 0.289 25543 944 1 3 . 1 1 33 33 SER N N 33 120.203 120.203 117.408 2.795 25543 945 1 3 . 1 1 33 33 SER HA H 33 4.409 4.409 4.376 0.033 25543 946 1 3 . 1 1 33 33 SER CA C 33 58.468 58.468 58.565 -0.097 25543 947 1 3 . 1 1 33 33 SER CB C 33 64.021 64.021 61.384 2.637 25543 948 1 3 . 1 1 33 33 SER H H 33 8.391 8.391 8.368 0.023 25543 949 1 3 . 1 1 34 34 ASP N N 34 123.136 123.136 123.132 0.004 25543 950 1 3 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.235 0.259 25543 951 1 3 . 1 1 34 34 ASP C C 34 175.121 175.121 177.651 -2.530 25543 952 1 3 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.683 -2.003 25543 953 1 3 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.721 -0.043 25543 954 1 3 . 1 1 34 34 ASP H H 34 8.629 8.629 8.449 0.180 25543 955 1 3 . 1 1 35 35 GLU N N 35 121.638 121.638 120.165 1.473 25543 956 1 3 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.960 0.148 25543 957 1 3 . 1 1 35 35 GLU C C 35 174.886 174.886 178.028 -3.142 25543 958 1 3 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.338 -0.753 25543 959 1 3 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.291 0.242 25543 960 1 3 . 1 1 35 35 GLU H H 35 8.579 8.579 8.320 0.259 25543 961 1 3 . 1 1 36 36 ALA N N 36 123.946 123.946 121.897 2.049 25543 962 1 3 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.971 0.258 25543 963 1 3 . 1 1 36 36 ALA C C 36 177.012 177.012 179.950 -2.938 25543 964 1 3 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.331 -1.523 25543 965 1 3 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.919 0.626 25543 966 1 3 . 1 1 36 36 ALA H H 36 8.235 8.235 8.034 0.201 25543 967 1 3 . 1 1 37 37 GLN N N 37 118.885 118.885 117.905 0.980 25543 968 1 3 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.903 0.223 25543 969 1 3 . 1 1 37 37 GLN C C 37 174.897 174.897 178.655 -3.758 25543 970 1 3 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.384 -0.983 25543 971 1 3 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.804 0.977 25543 972 1 3 . 1 1 37 37 GLN H H 37 8.295 8.295 7.837 0.458 25543 973 1 3 . 1 1 38 38 ALA N N 38 124.163 124.163 122.595 1.568 25543 974 1 3 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.964 0.210 25543 975 1 3 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.083 -0.987 25543 976 1 3 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.228 0.228 25543 977 1 3 . 1 1 38 38 ALA H H 38 8.217 8.217 8.250 -0.033 25543 978 1 3 . 1 1 39 39 ASP N N 39 119.226 119.226 120.681 -1.455 25543 979 1 3 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.345 0.131 25543 980 1 3 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.978 -2.134 25543 981 1 3 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.322 0.657 25543 982 1 3 . 1 1 39 39 ASP H H 39 8.145 8.145 8.230 -0.085 25543 983 1 3 . 1 1 40 40 LEU N N 40 121.976 121.976 120.081 1.895 25543 984 1 3 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.951 0.114 25543 985 1 3 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.209 -1.079 25543 986 1 3 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.157 0.805 25543 987 1 3 . 1 1 40 40 LEU H H 40 8.018 8.018 8.180 -0.162 25543 988 1 3 . 1 1 41 41 ALA N N 41 121.547 121.547 122.316 -0.769 25543 989 1 3 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.913 0.187 25543 990 1 3 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.247 -1.188 25543 991 1 3 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.226 -0.030 25543 992 1 3 . 1 1 41 41 ALA H H 41 8.076 8.076 8.172 -0.096 25543 993 1 3 . 1 1 42 42 LEU N N 42 119.599 119.599 118.517 1.082 25543 994 1 3 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.937 0.260 25543 995 1 3 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.708 -1.306 25543 996 1 3 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.686 0.340 25543 997 1 3 . 1 1 42 42 LEU H H 42 7.832 7.832 8.249 -0.417 25543 998 1 3 . 1 1 43 43 ARG N N 43 120.126 120.126 117.398 2.728 25543 999 1 3 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.029 0.092 25543 1000 1 3 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.543 -0.865 25543 1001 1 3 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.446 -0.252 25543 1002 1 3 . 1 1 43 43 ARG H H 43 8.047 8.047 8.319 -0.272 25543 1003 1 3 . 1 1 44 44 ARG N N 44 120.206 120.206 118.303 1.903 25543 1004 1 3 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.242 -0.003 25543 1005 1 3 . 1 1 44 44 ARG C C 44 173.165 173.165 177.191 -4.026 25543 1006 1 3 . 1 1 44 44 ARG CA C 44 57.111 57.111 58.026 -0.915 25543 1007 1 3 . 1 1 44 44 ARG CB C 44 30.592 30.592 31.204 -0.612 25543 1008 1 3 . 1 1 44 44 ARG H H 44 8.206 8.206 7.981 0.225 25543 1009 1 3 . 1 1 45 45 SER N N 45 116.312 116.312 117.502 -1.190 25543 1010 1 3 . 1 1 45 45 SER HA H 45 4.369 4.369 4.494 -0.125 25543 1011 1 3 . 1 1 45 45 SER C C 45 170.903 170.903 174.452 -3.549 25543 1012 1 3 . 1 1 45 45 SER CA C 45 59.151 59.151 57.899 1.252 25543 1013 1 3 . 1 1 45 45 SER CB C 45 63.539 63.539 63.250 0.289 25543 1014 1 3 . 1 1 45 45 SER H H 45 8.171 8.171 8.393 -0.222 25543 1015 1 3 . 1 1 46 46 LEU N N 46 123.524 123.524 125.386 -1.862 25543 1016 1 3 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.101 0.189 25543 1017 1 3 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.825 -1.106 25543 1018 1 3 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.005 0.066 25543 1019 1 3 . 1 1 46 46 LEU H H 46 8.168 8.168 7.932 0.236 25543 1020 1 3 . 1 1 47 47 ASP N N 47 119.853 119.853 115.346 4.507 25543 1021 1 3 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.105 0.432 25543 1022 1 3 . 1 1 47 47 ASP C C 47 173.143 173.143 176.153 -3.010 25543 1023 1 3 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.605 0.134 25543 1024 1 3 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.645 1.292 25543 1025 1 3 . 1 1 47 47 ASP H H 47 8.154 8.154 8.094 0.060 25543 1026 1 3 . 1 1 48 48 SER N N 48 114.867 114.867 114.390 0.477 25543 1027 1 3 . 1 1 48 48 SER HA H 48 4.340 4.340 4.014 0.326 25543 1028 1 3 . 1 1 48 48 SER C C 48 170.816 170.816 174.939 -4.123 25543 1029 1 3 . 1 1 48 48 SER CA C 48 58.345 58.345 60.462 -2.117 25543 1030 1 3 . 1 1 48 48 SER CB C 48 63.835 63.835 63.351 0.484 25543 1031 1 3 . 1 1 48 48 SER H H 48 7.960 7.960 7.288 0.672 25543 1032 1 3 . 1 1 49 49 TYR N N 49 123.355 123.355 120.268 3.087 25543 1033 1 3 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.720 0.015 25543 1034 1 3 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.121 2.020 25543 1035 1 3 . 1 1 49 49 TYR CB C 49 38.144 38.144 36.972 1.172 25543 1036 1 3 . 1 1 49 49 TYR H H 49 8.102 8.102 6.781 1.321 25543 1037 1 3 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.473 -0.046 25543 1038 1 3 . 1 1 50 50 PRO C C 50 173.908 173.908 176.311 -2.403 25543 1039 1 3 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.545 0.500 25543 1040 1 3 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.643 -0.751 25543 1041 1 3 . 1 1 51 51 VAL N N 51 120.746 120.746 114.970 5.776 25543 1042 1 3 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.536 -0.448 25543 1043 1 3 . 1 1 51 51 VAL C C 51 173.504 173.504 175.385 -1.881 25543 1044 1 3 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.549 0.753 25543 1045 1 3 . 1 1 51 51 VAL CB C 51 32.866 32.866 33.165 -0.299 25543 1046 1 3 . 1 1 51 51 VAL H H 51 8.270 8.270 7.990 0.280 25543 1047 1 3 . 1 1 52 52 SER N N 52 119.837 119.837 120.255 -0.418 25543 1048 1 3 . 1 1 52 52 SER HA H 52 4.429 4.429 4.647 -0.218 25543 1049 1 3 . 1 1 52 52 SER C C 52 171.799 171.799 174.376 -2.577 25543 1050 1 3 . 1 1 52 52 SER CA C 52 58.088 58.088 57.461 0.627 25543 1051 1 3 . 1 1 52 52 SER CB C 52 63.948 63.948 63.971 -0.022 25543 1052 1 3 . 1 1 52 52 SER H H 52 8.493 8.493 8.498 -0.005 25543 1053 1 3 . 1 1 53 53 LYS N N 53 123.948 123.948 126.095 -2.147 25543 1054 1 3 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.358 -0.087 25543 1055 1 3 . 1 1 53 53 LYS C C 53 173.547 173.547 176.608 -3.061 25543 1056 1 3 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.465 1.036 25543 1057 1 3 . 1 1 53 53 LYS CB C 53 32.967 32.967 32.669 0.298 25543 1058 1 3 . 1 1 53 53 LYS H H 53 8.531 8.531 8.775 -0.244 25543 1059 1 3 . 1 1 54 54 ASN N N 54 119.853 119.853 124.053 -4.200 25543 1060 1 3 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.329 0.370 25543 1061 1 3 . 1 1 54 54 ASN C C 54 172.115 172.115 174.624 -2.509 25543 1062 1 3 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.341 -1.129 25543 1063 1 3 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.202 0.599 25543 1064 1 3 . 1 1 54 54 ASN H H 54 8.532 8.532 9.234 -0.702 25543 1065 1 3 . 1 1 55 55 ASP N N 55 121.271 121.271 110.248 11.023 25543 1066 1 3 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.162 0.412 25543 1067 1 3 . 1 1 55 55 ASP C C 55 174.105 174.105 176.880 -2.775 25543 1068 1 3 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.242 -1.083 25543 1069 1 3 . 1 1 55 55 ASP CB C 55 41.040 41.040 39.216 1.824 25543 1070 1 3 . 1 1 55 55 ASP H H 55 8.297 8.297 8.456 -0.159 25543 1071 1 3 . 1 1 56 56 GLY N N 56 109.368 109.368 105.182 4.186 25543 1072 1 3 . 1 1 56 56 GLY C C 56 171.941 171.941 175.201 -3.260 25543 1073 1 3 . 1 1 56 56 GLY CA C 56 45.511 45.511 46.417 -0.906 25543 1074 1 3 . 1 1 56 56 GLY H H 56 8.497 8.497 8.693 -0.196 25543 1075 1 3 . 1 1 57 57 THR N N 57 113.628 113.628 116.170 -2.542 25543 1076 1 3 . 1 1 57 57 THR HA H 57 4.275 4.275 4.398 -0.123 25543 1077 1 3 . 1 1 57 57 THR C C 57 171.744 171.744 174.212 -2.468 25543 1078 1 3 . 1 1 57 57 THR CA C 57 62.240 62.240 60.707 1.533 25543 1079 1 3 . 1 1 57 57 THR CB C 57 69.941 69.941 67.710 2.231 25543 1080 1 3 . 1 1 57 57 THR H H 57 8.156 8.156 7.551 0.605 25543 1081 1 3 . 1 1 58 58 ARG N N 58 124.521 124.521 125.197 -0.676 25543 1082 1 3 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.670 -0.050 25543 1083 1 3 . 1 1 58 58 ARG C C 58 171.187 171.187 175.108 -3.921 25543 1084 1 3 . 1 1 58 58 ARG CA C 58 53.969 53.969 53.830 0.139 25543 1085 1 3 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.971 0.175 25543 1086 1 3 . 1 1 58 58 ARG H H 58 8.322 8.322 7.793 0.529 25543 1087 1 3 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.607 -0.225 25543 1088 1 3 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.864 0.039 25543 1089 1 3 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.624 -0.431 25543 1090 1 3 . 1 1 60 60 LYS N N 60 122.142 122.142 120.245 1.897 25543 1091 1 3 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.459 -0.256 25543 1092 1 3 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.450 -0.123 25543 1093 1 3 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.583 -0.777 25543 1094 1 3 . 1 1 60 60 LYS H H 60 8.513 8.513 8.426 0.087 25543 1095 1 3 . 1 1 61 61 MET N N 61 122.695 122.695 120.523 2.172 25543 1096 1 3 . 1 1 61 61 MET HA H 61 4.598 4.598 4.779 -0.181 25543 1097 1 3 . 1 1 61 61 MET C C 61 173.077 173.077 175.718 -2.641 25543 1098 1 3 . 1 1 61 61 MET CA C 61 55.296 55.296 54.771 0.525 25543 1099 1 3 . 1 1 61 61 MET CB C 61 34.491 34.491 35.030 -0.539 25543 1100 1 3 . 1 1 61 61 MET H H 61 8.446 8.446 8.169 0.277 25543 1101 1 3 . 1 1 62 62 THR N N 62 115.170 115.170 114.038 1.132 25543 1102 1 3 . 1 1 62 62 THR HA H 62 4.620 4.620 4.654 -0.034 25543 1103 1 3 . 1 1 62 62 THR C C 62 170.881 170.881 174.590 -3.709 25543 1104 1 3 . 1 1 62 62 THR CA C 62 59.858 59.858 58.970 0.888 25543 1105 1 3 . 1 1 62 62 THR CB C 62 68.752 68.752 69.026 -0.274 25543 1106 1 3 . 1 1 62 62 THR H H 62 8.437 8.437 8.291 0.146 25543 1107 1 3 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.030 0.244 25543 1108 1 3 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.889 -0.516 25543 1109 1 3 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.755 0.008 25543 1110 1 3 . 1 1 64 64 GLU N N 64 118.596 118.596 116.890 1.706 25543 1111 1 3 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.938 0.125 25543 1112 1 3 . 1 1 64 64 GLU CA C 64 59.613 59.613 60.162 -0.549 25543 1113 1 3 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.263 -0.246 25543 1114 1 3 . 1 1 64 64 GLU H H 64 8.813 8.813 8.736 0.077 25543 1115 1 3 . 1 1 65 65 GLN N N 65 121.250 121.250 118.656 2.594 25543 1116 1 3 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.033 0.013 25543 1117 1 3 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.785 -0.669 25543 1118 1 3 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.203 0.508 25543 1119 1 3 . 1 1 65 65 GLN H H 65 7.964 7.964 7.935 0.029 25543 1120 1 3 . 1 1 66 66 MET N N 66 120.082 120.082 118.467 1.615 25543 1121 1 3 . 1 1 66 66 MET HA H 66 4.156 4.156 4.311 -0.155 25543 1122 1 3 . 1 1 66 66 MET CA C 66 58.241 58.241 58.852 -0.611 25543 1123 1 3 . 1 1 66 66 MET CB C 66 32.558 32.558 32.171 0.387 25543 1124 1 3 . 1 1 66 66 MET H H 66 8.429 8.429 7.754 0.675 25543 1125 1 3 . 1 1 67 67 ALA N N 67 122.222 122.222 124.051 -1.829 25543 1126 1 3 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.996 0.161 25543 1127 1 3 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.287 -1.016 25543 1128 1 3 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.073 0.206 25543 1129 1 3 . 1 1 67 67 ALA H H 67 8.106 8.106 8.824 -0.718 25543 1130 1 3 . 1 1 68 68 LYS N N 68 120.031 120.031 119.009 1.022 25543 1131 1 3 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.958 0.169 25543 1132 1 3 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.552 -1.179 25543 1133 1 3 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.156 0.449 25543 1134 1 3 . 1 1 68 68 LYS H H 68 7.815 7.815 8.463 -0.648 25543 1135 1 3 . 1 1 69 69 GLU N N 69 119.896 119.896 119.667 0.229 25543 1136 1 3 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.997 0.126 25543 1137 1 3 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.495 -0.945 25543 1138 1 3 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.500 -0.090 25543 1139 1 3 . 1 1 69 69 GLU H H 69 8.149 8.149 8.616 -0.467 25543 1140 1 3 . 1 1 70 70 MET N N 70 119.261 119.261 118.546 0.715 25543 1141 1 3 . 1 1 70 70 MET HA H 70 4.434 4.434 4.158 0.276 25543 1142 1 3 . 1 1 70 70 MET C C 70 174.607 174.607 178.599 -3.992 25543 1143 1 3 . 1 1 70 70 MET CA C 70 56.884 56.884 58.061 -1.177 25543 1144 1 3 . 1 1 70 70 MET CB C 70 32.159 32.159 31.593 0.566 25543 1145 1 3 . 1 1 70 70 MET H H 70 8.215 8.215 8.026 0.189 25543 1146 1 3 . 1 1 71 71 SER N N 71 115.618 115.618 115.458 0.160 25543 1147 1 3 . 1 1 71 71 SER HA H 71 4.265 4.265 4.052 0.213 25543 1148 1 3 . 1 1 71 71 SER CA C 71 60.463 60.463 62.471 -2.008 25543 1149 1 3 . 1 1 71 71 SER CB C 71 63.135 63.135 63.070 0.065 25543 1150 1 3 . 1 1 71 71 SER H H 71 8.161 8.161 8.528 -0.367 25543 1151 1 3 . 1 1 72 72 GLU N N 72 122.328 122.328 122.667 -0.339 25543 1152 1 3 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.081 0.032 25543 1153 1 3 . 1 1 72 72 GLU CA C 72 58.116 58.116 59.192 -1.076 25543 1154 1 3 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.313 0.114 25543 1155 1 3 . 1 1 72 72 GLU H H 72 8.247 8.247 8.430 -0.183 25543 1156 1 3 . 1 1 73 73 PHE N N 73 120.564 120.564 119.045 1.519 25543 1157 1 3 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.185 0.215 25543 1158 1 3 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.480 -1.983 25543 1159 1 3 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.339 -0.157 25543 1160 1 3 . 1 1 73 73 PHE H H 73 8.126 8.126 8.208 -0.082 25543 1161 1 3 . 1 1 74 74 LEU N N 74 120.761 120.761 116.811 3.950 25543 1162 1 3 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.206 -0.054 25543 1163 1 3 . 1 1 74 74 LEU CA C 74 55.890 55.890 57.328 -1.438 25543 1164 1 3 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.241 -0.135 25543 1165 1 3 . 1 1 74 74 LEU H H 74 8.127 8.127 8.409 -0.282 25543 1166 1 3 . 1 1 75 75 SER N N 75 115.178 115.178 112.282 2.896 25543 1167 1 3 . 1 1 75 75 SER HA H 75 4.357 4.357 4.504 -0.147 25543 1168 1 3 . 1 1 75 75 SER CA C 75 58.921 58.921 56.844 2.077 25543 1169 1 3 . 1 1 75 75 SER CB C 75 63.534 63.534 63.072 0.462 25543 1170 1 3 . 1 1 75 75 SER H H 75 8.003 8.003 8.293 -0.290 25543 1171 1 3 . 1 1 76 76 ARG N N 76 122.367 122.367 126.209 -3.842 25543 1172 1 3 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.224 0.090 25543 1173 1 3 . 1 1 76 76 ARG CA C 76 56.406 56.406 57.144 -0.738 25543 1174 1 3 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.829 0.003 25543 1175 1 3 . 1 1 76 76 ARG H H 76 7.985 7.985 8.250 -0.265 25543 1176 1 3 . 1 1 77 77 GLY N N 77 109.723 109.723 106.367 3.356 25543 1177 1 3 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.324 0.076 25543 1178 1 3 . 1 1 77 77 GLY H H 77 8.151 8.151 7.855 0.296 25543 1179 1 3 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.523 -0.158 25543 1180 1 3 . 1 1 78 78 PRO C C 78 173.976 173.976 177.469 -3.493 25543 1181 1 3 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.231 -0.005 25543 1182 1 3 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.754 0.274 25543 1183 1 4 . 1 1 7 7 GLN N N 7 120.283 120.283 120.733 -0.450 25543 1184 1 4 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.923 0.212 25543 1185 1 4 . 1 1 7 7 GLN C C 7 174.902 174.902 177.453 -2.551 25543 1186 1 4 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.079 -1.761 25543 1187 1 4 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.167 0.533 25543 1188 1 4 . 1 1 7 7 GLN H H 7 8.340 8.340 8.591 -0.251 25543 1189 1 4 . 1 1 8 8 GLN N N 8 120.710 120.710 117.402 3.308 25543 1190 1 4 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.029 0.018 25543 1191 1 4 . 1 1 8 8 GLN C C 8 174.564 174.564 177.794 -3.230 25543 1192 1 4 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.894 -0.793 25543 1193 1 4 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.834 0.660 25543 1194 1 4 . 1 1 8 8 GLN H H 8 8.434 8.434 8.695 -0.261 25543 1195 1 4 . 1 1 9 9 ALA N N 9 122.740 122.740 122.131 0.609 25543 1196 1 4 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.096 0.097 25543 1197 1 4 . 1 1 9 9 ALA C C 9 177.504 177.504 179.300 -1.796 25543 1198 1 4 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.896 -0.314 25543 1199 1 4 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.005 0.127 25543 1200 1 4 . 1 1 9 9 ALA H H 9 8.144 8.144 7.744 0.400 25543 1201 1 4 . 1 1 10 10 VAL N N 10 120.344 120.344 119.226 1.118 25543 1202 1 4 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.606 0.189 25543 1203 1 4 . 1 1 10 10 VAL C C 10 175.143 175.143 177.878 -2.735 25543 1204 1 4 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.523 -0.097 25543 1205 1 4 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.853 0.215 25543 1206 1 4 . 1 1 10 10 VAL H H 10 7.854 7.854 7.853 0.001 25543 1207 1 4 . 1 1 11 11 LEU N N 11 121.896 121.896 120.711 1.185 25543 1208 1 4 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.843 0.292 25543 1209 1 4 . 1 1 11 11 LEU C C 11 177.143 177.143 178.605 -1.462 25543 1210 1 4 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.451 -0.761 25543 1211 1 4 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.601 0.042 25543 1212 1 4 . 1 1 11 11 LEU H H 11 7.936 7.936 8.805 -0.869 25543 1213 1 4 . 1 1 12 12 GLU N N 12 120.197 120.197 118.491 1.706 25543 1214 1 4 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.878 0.262 25543 1215 1 4 . 1 1 12 12 GLU C C 12 175.602 175.602 179.184 -3.582 25543 1216 1 4 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.607 -1.101 25543 1217 1 4 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.355 -0.098 25543 1218 1 4 . 1 1 12 12 GLU H H 12 8.310 8.310 7.966 0.344 25543 1219 1 4 . 1 1 13 13 GLN N N 13 120.843 120.843 119.228 1.615 25543 1220 1 4 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.050 -0.132 25543 1221 1 4 . 1 1 13 13 GLN C C 13 174.656 174.656 178.347 -3.691 25543 1222 1 4 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.684 -0.263 25543 1223 1 4 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.166 -0.062 25543 1224 1 4 . 1 1 13 13 GLN H H 13 8.073 8.073 8.436 -0.363 25543 1225 1 4 . 1 1 14 14 GLU N N 14 119.589 119.589 119.637 -0.048 25543 1226 1 4 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.016 0.082 25543 1227 1 4 . 1 1 14 14 GLU C C 14 176.412 176.412 179.177 -2.765 25543 1228 1 4 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.431 -0.155 25543 1229 1 4 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.340 -0.021 25543 1230 1 4 . 1 1 14 14 GLU H H 14 8.340 8.340 8.000 0.340 25543 1231 1 4 . 1 1 15 15 ARG N N 15 120.353 120.353 119.494 0.859 25543 1232 1 4 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.960 0.020 25543 1233 1 4 . 1 1 15 15 ARG C C 15 175.896 175.896 178.953 -3.057 25543 1234 1 4 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.767 -0.264 25543 1235 1 4 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.105 -0.271 25543 1236 1 4 . 1 1 15 15 ARG H H 15 7.995 7.995 8.412 -0.417 25543 1237 1 4 . 1 1 16 16 ARG N N 16 120.490 120.490 118.824 1.666 25543 1238 1 4 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.963 0.071 25543 1239 1 4 . 1 1 16 16 ARG C C 16 176.476 176.476 178.356 -1.880 25543 1240 1 4 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.640 -0.272 25543 1241 1 4 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.842 -0.010 25543 1242 1 4 . 1 1 16 16 ARG H H 16 8.169 8.169 8.243 -0.074 25543 1243 1 4 . 1 1 17 17 ASP N N 17 120.965 120.965 119.343 1.622 25543 1244 1 4 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.291 0.148 25543 1245 1 4 . 1 1 17 17 ASP C C 17 176.291 176.291 178.688 -2.397 25543 1246 1 4 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.467 -0.214 25543 1247 1 4 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.762 -0.853 25543 1248 1 4 . 1 1 17 17 ASP H H 17 8.684 8.684 8.247 0.437 25543 1249 1 4 . 1 1 18 18 ARG N N 18 122.128 122.128 119.069 3.059 25543 1250 1 4 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.002 0.129 25543 1251 1 4 . 1 1 18 18 ARG C C 18 175.897 175.897 179.087 -3.190 25543 1252 1 4 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.389 -0.236 25543 1253 1 4 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.302 -0.175 25543 1254 1 4 . 1 1 18 18 ARG H H 18 8.183 8.183 8.198 -0.015 25543 1255 1 4 . 1 1 19 19 GLU N N 19 120.044 120.044 119.915 0.129 25543 1256 1 4 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.022 -0.005 25543 1257 1 4 . 1 1 19 19 GLU C C 19 172.902 172.902 179.173 -6.271 25543 1258 1 4 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.414 -0.225 25543 1259 1 4 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.423 -0.119 25543 1260 1 4 . 1 1 19 19 GLU H H 19 8.207 8.207 8.097 0.110 25543 1261 1 4 . 1 1 20 20 LEU N N 20 121.172 121.172 120.398 0.774 25543 1262 1 4 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.931 0.201 25543 1263 1 4 . 1 1 20 20 LEU C C 20 174.935 174.935 178.983 -4.048 25543 1264 1 4 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.228 -0.352 25543 1265 1 4 . 1 1 20 20 LEU CB C 20 41.670 41.670 40.984 0.686 25543 1266 1 4 . 1 1 20 20 LEU H H 20 8.102 8.102 8.609 -0.507 25543 1267 1 4 . 1 1 21 21 ALA N N 21 120.754 120.754 121.427 -0.673 25543 1268 1 4 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.918 0.169 25543 1269 1 4 . 1 1 21 21 ALA C C 21 177.689 177.689 180.041 -2.352 25543 1270 1 4 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.061 -0.391 25543 1271 1 4 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.071 -0.084 25543 1272 1 4 . 1 1 21 21 ALA H H 21 7.864 7.864 7.977 -0.113 25543 1273 1 4 . 1 1 22 22 LEU N N 22 119.357 119.357 118.170 1.187 25543 1274 1 4 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.073 0.104 25543 1275 1 4 . 1 1 22 22 LEU C C 22 175.842 175.842 178.859 -3.017 25543 1276 1 4 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.022 -0.965 25543 1277 1 4 . 1 1 22 22 LEU CB C 22 41.963 41.963 42.013 -0.050 25543 1278 1 4 . 1 1 22 22 LEU H H 22 7.901 7.901 8.147 -0.246 25543 1279 1 4 . 1 1 23 23 ARG N N 23 120.416 120.416 119.642 0.774 25543 1280 1 4 . 1 1 23 23 ARG HA H 23 4.151 4.151 4.073 0.078 25543 1281 1 4 . 1 1 23 23 ARG C C 23 176.236 176.236 179.092 -2.856 25543 1282 1 4 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.708 -1.174 25543 1283 1 4 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.192 -0.035 25543 1284 1 4 . 1 1 23 23 ARG H H 23 7.890 7.890 8.089 -0.199 25543 1285 1 4 . 1 1 24 24 ILE N N 24 121.088 121.088 119.077 2.011 25543 1286 1 4 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.768 0.109 25543 1287 1 4 . 1 1 24 24 ILE C C 24 174.946 174.946 177.767 -2.821 25543 1288 1 4 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.982 -1.368 25543 1289 1 4 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.628 0.587 25543 1290 1 4 . 1 1 24 24 ILE H H 24 8.254 8.254 8.685 -0.431 25543 1291 1 4 . 1 1 25 25 ALA N N 25 124.216 124.216 122.731 1.485 25543 1292 1 4 . 1 1 25 25 ALA HA H 25 4.222 4.222 4.097 0.125 25543 1293 1 4 . 1 1 25 25 ALA C C 25 176.883 176.883 179.378 -2.495 25543 1294 1 4 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.343 -1.270 25543 1295 1 4 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.322 0.155 25543 1296 1 4 . 1 1 25 25 ALA H H 25 8.053 8.053 8.195 -0.142 25543 1297 1 4 . 1 1 26 26 GLN N N 26 118.617 118.617 117.723 0.894 25543 1298 1 4 . 1 1 26 26 GLN HA H 26 4.203 4.203 3.989 0.214 25543 1299 1 4 . 1 1 26 26 GLN C C 26 174.564 174.564 178.191 -3.627 25543 1300 1 4 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.668 -1.449 25543 1301 1 4 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.388 0.481 25543 1302 1 4 . 1 1 26 26 GLN H H 26 8.269 8.269 8.470 -0.202 25543 1303 1 4 . 1 1 27 27 SER N N 27 116.340 116.340 117.120 -0.780 25543 1304 1 4 . 1 1 27 27 SER HA H 27 4.350 4.350 4.140 0.210 25543 1305 1 4 . 1 1 27 27 SER C C 27 172.902 172.902 176.446 -3.544 25543 1306 1 4 . 1 1 27 27 SER CA C 27 59.941 59.941 61.946 -2.005 25543 1307 1 4 . 1 1 27 27 SER CB C 27 63.458 63.458 63.130 0.328 25543 1308 1 4 . 1 1 27 27 SER H H 27 8.195 8.195 8.217 -0.022 25543 1309 1 4 . 1 1 28 28 GLU N N 28 122.168 122.168 121.793 0.375 25543 1310 1 4 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.068 0.099 25543 1311 1 4 . 1 1 28 28 GLU C C 28 174.568 174.568 178.035 -3.467 25543 1312 1 4 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.823 -0.947 25543 1313 1 4 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.931 1.029 25543 1314 1 4 . 1 1 28 28 GLU H H 28 8.316 8.316 8.084 0.232 25543 1315 1 4 . 1 1 29 29 ALA N N 29 122.950 122.950 122.162 0.788 25543 1316 1 4 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.218 -0.015 25543 1317 1 4 . 1 1 29 29 ALA C C 29 176.938 176.938 179.421 -2.483 25543 1318 1 4 . 1 1 29 29 ALA CA C 29 53.357 53.357 53.987 -0.630 25543 1319 1 4 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.210 -0.357 25543 1320 1 4 . 1 1 29 29 ALA H H 29 8.029 8.029 7.967 0.062 25543 1321 1 4 . 1 1 30 30 GLU N N 30 119.092 119.092 116.621 2.471 25543 1322 1 4 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.263 -0.109 25543 1323 1 4 . 1 1 30 30 GLU C C 30 174.531 174.531 177.541 -3.010 25543 1324 1 4 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.501 0.588 25543 1325 1 4 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.437 -0.496 25543 1326 1 4 . 1 1 30 30 GLU H H 30 8.104 8.104 7.780 0.324 25543 1327 1 4 . 1 1 31 31 LEU N N 31 122.322 122.322 118.828 3.494 25543 1328 1 4 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.980 0.308 25543 1329 1 4 . 1 1 31 31 LEU C C 31 176.006 176.006 177.249 -1.243 25543 1330 1 4 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.269 -0.571 25543 1331 1 4 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.249 1.869 25543 1332 1 4 . 1 1 31 31 LEU H H 31 8.016 8.016 8.494 -0.478 25543 1333 1 4 . 1 1 32 32 ILE N N 32 121.365 121.365 118.278 3.087 25543 1334 1 4 . 1 1 32 32 ILE HA H 32 4.152 4.152 3.936 0.216 25543 1335 1 4 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.958 -1.614 25543 1336 1 4 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.056 0.473 25543 1337 1 4 . 1 1 32 32 ILE H H 32 8.050 8.050 7.929 0.121 25543 1338 1 4 . 1 1 33 33 SER N N 33 120.203 120.203 115.923 4.280 25543 1339 1 4 . 1 1 33 33 SER HA H 33 4.409 4.409 4.332 0.077 25543 1340 1 4 . 1 1 33 33 SER CA C 33 58.468 58.468 57.921 0.547 25543 1341 1 4 . 1 1 33 33 SER CB C 33 64.021 64.021 61.647 2.374 25543 1342 1 4 . 1 1 33 33 SER H H 33 8.391 8.391 8.076 0.315 25543 1343 1 4 . 1 1 34 34 ASP N N 34 123.136 123.136 124.366 -1.230 25543 1344 1 4 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.445 0.049 25543 1345 1 4 . 1 1 34 34 ASP C C 34 175.121 175.121 177.211 -2.090 25543 1346 1 4 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.409 -0.729 25543 1347 1 4 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.366 -0.688 25543 1348 1 4 . 1 1 34 34 ASP H H 34 8.629 8.629 8.537 0.092 25543 1349 1 4 . 1 1 35 35 GLU N N 35 121.638 121.638 120.132 1.506 25543 1350 1 4 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.918 0.190 25543 1351 1 4 . 1 1 35 35 GLU C C 35 174.886 174.886 178.086 -3.200 25543 1352 1 4 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.441 -0.856 25543 1353 1 4 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.625 0.908 25543 1354 1 4 . 1 1 35 35 GLU H H 35 8.579 8.579 8.685 -0.106 25543 1355 1 4 . 1 1 36 36 ALA N N 36 123.946 123.946 123.553 0.393 25543 1356 1 4 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.017 0.212 25543 1357 1 4 . 1 1 36 36 ALA C C 36 177.012 177.012 179.960 -2.948 25543 1358 1 4 . 1 1 36 36 ALA CA C 36 53.808 53.808 54.964 -1.156 25543 1359 1 4 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.797 0.748 25543 1360 1 4 . 1 1 36 36 ALA H H 36 8.235 8.235 8.091 0.144 25543 1361 1 4 . 1 1 37 37 GLN N N 37 118.885 118.885 118.144 0.741 25543 1362 1 4 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.931 0.195 25543 1363 1 4 . 1 1 37 37 GLN C C 37 174.897 174.897 178.643 -3.746 25543 1364 1 4 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.504 -1.103 25543 1365 1 4 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.115 0.666 25543 1366 1 4 . 1 1 37 37 GLN H H 37 8.295 8.295 7.756 0.539 25543 1367 1 4 . 1 1 38 38 ALA N N 38 124.163 124.163 122.601 1.562 25543 1368 1 4 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.968 0.206 25543 1369 1 4 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.203 -1.107 25543 1370 1 4 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.248 0.208 25543 1371 1 4 . 1 1 38 38 ALA H H 38 8.217 8.217 8.270 -0.053 25543 1372 1 4 . 1 1 39 39 ASP N N 39 119.226 119.226 120.197 -0.971 25543 1373 1 4 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.392 0.084 25543 1374 1 4 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.581 -1.737 25543 1375 1 4 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.403 0.576 25543 1376 1 4 . 1 1 39 39 ASP H H 39 8.145 8.145 8.069 0.076 25543 1377 1 4 . 1 1 40 40 LEU N N 40 121.976 121.976 119.766 2.210 25543 1378 1 4 . 1 1 40 40 LEU HA H 40 4.065 4.065 4.001 0.064 25543 1379 1 4 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.985 -0.855 25543 1380 1 4 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.471 0.491 25543 1381 1 4 . 1 1 40 40 LEU H H 40 8.018 8.018 8.669 -0.651 25543 1382 1 4 . 1 1 41 41 ALA N N 41 121.547 121.547 122.207 -0.660 25543 1383 1 4 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.173 -0.073 25543 1384 1 4 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.172 -1.113 25543 1385 1 4 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.569 -0.373 25543 1386 1 4 . 1 1 41 41 ALA H H 41 8.076 8.076 8.174 -0.098 25543 1387 1 4 . 1 1 42 42 LEU N N 42 119.599 119.599 116.625 2.974 25543 1388 1 4 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.418 -0.221 25543 1389 1 4 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.350 -0.948 25543 1390 1 4 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.746 0.280 25543 1391 1 4 . 1 1 42 42 LEU H H 42 7.832 7.832 7.956 -0.124 25543 1392 1 4 . 1 1 43 43 ARG N N 43 120.126 120.126 119.879 0.247 25543 1393 1 4 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.149 -0.028 25543 1394 1 4 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.914 -1.236 25543 1395 1 4 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.746 -0.552 25543 1396 1 4 . 1 1 43 43 ARG H H 43 8.047 8.047 8.540 -0.493 25543 1397 1 4 . 1 1 44 44 ARG N N 44 120.206 120.206 117.165 3.041 25543 1398 1 4 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.164 0.075 25543 1399 1 4 . 1 1 44 44 ARG C C 44 173.165 173.165 176.422 -3.257 25543 1400 1 4 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.438 -0.327 25543 1401 1 4 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.719 0.873 25543 1402 1 4 . 1 1 44 44 ARG H H 44 8.206 8.206 7.698 0.508 25543 1403 1 4 . 1 1 45 45 SER N N 45 116.312 116.312 114.177 2.135 25543 1404 1 4 . 1 1 45 45 SER HA H 45 4.369 4.369 4.485 -0.116 25543 1405 1 4 . 1 1 45 45 SER C C 45 170.903 170.903 174.893 -3.990 25543 1406 1 4 . 1 1 45 45 SER CA C 45 59.151 59.151 57.159 1.992 25543 1407 1 4 . 1 1 45 45 SER CB C 45 63.539 63.539 63.877 -0.338 25543 1408 1 4 . 1 1 45 45 SER H H 45 8.171 8.171 7.496 0.675 25543 1409 1 4 . 1 1 46 46 LEU N N 46 123.524 123.524 128.827 -5.303 25543 1410 1 4 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.327 -0.037 25543 1411 1 4 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.878 -1.159 25543 1412 1 4 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.663 -0.592 25543 1413 1 4 . 1 1 46 46 LEU H H 46 8.168 8.168 8.802 -0.634 25543 1414 1 4 . 1 1 47 47 ASP N N 47 119.853 119.853 115.516 4.337 25543 1415 1 4 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.540 -0.003 25543 1416 1 4 . 1 1 47 47 ASP C C 47 173.143 173.143 176.369 -3.226 25543 1417 1 4 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.874 -0.135 25543 1418 1 4 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.212 1.725 25543 1419 1 4 . 1 1 47 47 ASP H H 47 8.154 8.154 8.730 -0.576 25543 1420 1 4 . 1 1 48 48 SER N N 48 114.867 114.867 114.201 0.666 25543 1421 1 4 . 1 1 48 48 SER HA H 48 4.340 4.340 4.401 -0.061 25543 1422 1 4 . 1 1 48 48 SER C C 48 170.816 170.816 175.094 -4.278 25543 1423 1 4 . 1 1 48 48 SER CA C 48 58.345 58.345 59.514 -1.169 25543 1424 1 4 . 1 1 48 48 SER CB C 48 63.835 63.835 63.995 -0.160 25543 1425 1 4 . 1 1 48 48 SER H H 48 7.960 7.960 7.700 0.260 25543 1426 1 4 . 1 1 49 49 TYR N N 49 123.355 123.355 122.702 0.653 25543 1427 1 4 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.444 0.291 25543 1428 1 4 . 1 1 49 49 TYR CA C 49 56.141 56.141 57.035 -0.894 25543 1429 1 4 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.937 0.207 25543 1430 1 4 . 1 1 49 49 TYR H H 49 8.102 8.102 7.710 0.392 25543 1431 1 4 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.263 0.164 25543 1432 1 4 . 1 1 50 50 PRO C C 50 173.908 173.908 176.132 -2.224 25543 1433 1 4 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.547 -0.502 25543 1434 1 4 . 1 1 50 50 PRO CB C 50 31.892 31.892 31.794 0.097 25543 1435 1 4 . 1 1 51 51 VAL N N 51 120.746 120.746 122.114 -1.368 25543 1436 1 4 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.172 -0.084 25543 1437 1 4 . 1 1 51 51 VAL C C 51 173.504 173.504 176.047 -2.543 25543 1438 1 4 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.746 -0.444 25543 1439 1 4 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.835 0.031 25543 1440 1 4 . 1 1 51 51 VAL H H 51 8.270 8.270 8.089 0.181 25543 1441 1 4 . 1 1 52 52 SER N N 52 119.837 119.837 122.309 -2.472 25543 1442 1 4 . 1 1 52 52 SER HA H 52 4.429 4.429 4.700 -0.271 25543 1443 1 4 . 1 1 52 52 SER C C 52 171.799 171.799 173.954 -2.155 25543 1444 1 4 . 1 1 52 52 SER CA C 52 58.088 58.088 57.322 0.767 25543 1445 1 4 . 1 1 52 52 SER CB C 52 63.948 63.948 65.153 -1.205 25543 1446 1 4 . 1 1 52 52 SER H H 52 8.493 8.493 8.114 0.379 25543 1447 1 4 . 1 1 53 53 LYS N N 53 123.948 123.948 123.793 0.155 25543 1448 1 4 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.363 -0.092 25543 1449 1 4 . 1 1 53 53 LYS C C 53 173.547 173.547 176.092 -2.545 25543 1450 1 4 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.485 0.015 25543 1451 1 4 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.105 -0.139 25543 1452 1 4 . 1 1 53 53 LYS H H 53 8.531 8.531 8.571 -0.040 25543 1453 1 4 . 1 1 54 54 ASN N N 54 119.853 119.853 120.390 -0.537 25543 1454 1 4 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.702 -0.003 25543 1455 1 4 . 1 1 54 54 ASN C C 54 172.115 172.115 173.934 -1.819 25543 1456 1 4 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.720 -0.508 25543 1457 1 4 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.833 -0.032 25543 1458 1 4 . 1 1 54 54 ASN H H 54 8.532 8.532 8.540 -0.008 25543 1459 1 4 . 1 1 55 55 ASP N N 55 121.271 121.271 119.487 1.784 25543 1460 1 4 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.347 0.227 25543 1461 1 4 . 1 1 55 55 ASP C C 55 174.105 174.105 176.853 -2.748 25543 1462 1 4 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.205 -1.046 25543 1463 1 4 . 1 1 55 55 ASP CB C 55 41.040 41.040 39.389 1.651 25543 1464 1 4 . 1 1 55 55 ASP H H 55 8.297 8.297 8.691 -0.394 25543 1465 1 4 . 1 1 56 56 GLY N N 56 109.368 109.368 103.905 5.463 25543 1466 1 4 . 1 1 56 56 GLY C C 56 171.941 171.941 174.921 -2.980 25543 1467 1 4 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.692 -0.181 25543 1468 1 4 . 1 1 56 56 GLY H H 56 8.497 8.497 8.396 0.101 25543 1469 1 4 . 1 1 57 57 THR N N 57 113.628 113.628 112.054 1.574 25543 1470 1 4 . 1 1 57 57 THR HA H 57 4.275 4.275 3.835 0.440 25543 1471 1 4 . 1 1 57 57 THR C C 57 171.744 171.744 174.816 -3.072 25543 1472 1 4 . 1 1 57 57 THR CA C 57 62.240 62.240 62.961 -0.721 25543 1473 1 4 . 1 1 57 57 THR CB C 57 69.941 69.941 67.017 2.924 25543 1474 1 4 . 1 1 57 57 THR H H 57 8.156 8.156 7.767 0.389 25543 1475 1 4 . 1 1 58 58 ARG N N 58 124.521 124.521 122.622 1.899 25543 1476 1 4 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.604 0.016 25543 1477 1 4 . 1 1 58 58 ARG C C 58 171.187 171.187 174.941 -3.754 25543 1478 1 4 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.337 -0.368 25543 1479 1 4 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.461 -0.315 25543 1480 1 4 . 1 1 58 58 ARG H H 58 8.322 8.322 7.874 0.448 25543 1481 1 4 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.463 -0.081 25543 1482 1 4 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.686 0.217 25543 1483 1 4 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.116 0.077 25543 1484 1 4 . 1 1 60 60 LYS N N 60 122.142 122.142 117.503 4.639 25543 1485 1 4 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.480 -0.277 25543 1486 1 4 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.227 1.101 25543 1487 1 4 . 1 1 60 60 LYS CB C 60 32.805 32.805 34.111 -1.306 25543 1488 1 4 . 1 1 60 60 LYS H H 60 8.513 8.513 8.101 0.412 25543 1489 1 4 . 1 1 61 61 MET N N 61 122.695 122.695 121.170 1.525 25543 1490 1 4 . 1 1 61 61 MET HA H 61 4.598 4.598 4.579 0.019 25543 1491 1 4 . 1 1 61 61 MET C C 61 173.077 173.077 175.705 -2.628 25543 1492 1 4 . 1 1 61 61 MET CA C 61 55.296 55.296 54.611 0.685 25543 1493 1 4 . 1 1 61 61 MET CB C 61 34.491 34.491 32.200 2.291 25543 1494 1 4 . 1 1 61 61 MET H H 61 8.446 8.446 8.404 0.042 25543 1495 1 4 . 1 1 62 62 THR N N 62 115.170 115.170 116.983 -1.813 25543 1496 1 4 . 1 1 62 62 THR HA H 62 4.620 4.620 4.570 0.050 25543 1497 1 4 . 1 1 62 62 THR C C 62 170.881 170.881 174.558 -3.677 25543 1498 1 4 . 1 1 62 62 THR CA C 62 59.858 59.858 59.462 0.396 25543 1499 1 4 . 1 1 62 62 THR CB C 62 68.752 68.752 70.156 -1.404 25543 1500 1 4 . 1 1 62 62 THR H H 62 8.437 8.437 7.990 0.447 25543 1501 1 4 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.061 0.213 25543 1502 1 4 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.693 -0.319 25543 1503 1 4 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.722 0.041 25543 1504 1 4 . 1 1 64 64 GLU N N 64 118.596 118.596 117.560 1.036 25543 1505 1 4 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.966 0.097 25543 1506 1 4 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.552 0.061 25543 1507 1 4 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.176 -0.159 25543 1508 1 4 . 1 1 64 64 GLU H H 64 8.813 8.813 8.162 0.651 25543 1509 1 4 . 1 1 65 65 GLN N N 65 121.250 121.250 118.517 2.733 25543 1510 1 4 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.970 0.076 25543 1511 1 4 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.190 -1.074 25543 1512 1 4 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.717 -0.006 25543 1513 1 4 . 1 1 65 65 GLN H H 65 7.964 7.964 7.433 0.531 25543 1514 1 4 . 1 1 66 66 MET N N 66 120.082 120.082 117.083 2.999 25543 1515 1 4 . 1 1 66 66 MET HA H 66 4.156 4.156 4.050 0.106 25543 1516 1 4 . 1 1 66 66 MET CA C 66 58.241 58.241 58.712 -0.471 25543 1517 1 4 . 1 1 66 66 MET CB C 66 32.558 32.558 31.949 0.609 25543 1518 1 4 . 1 1 66 66 MET H H 66 8.429 8.429 7.747 0.682 25543 1519 1 4 . 1 1 67 67 ALA N N 67 122.222 122.222 123.565 -1.343 25543 1520 1 4 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.913 0.244 25543 1521 1 4 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.377 -1.106 25543 1522 1 4 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.227 0.052 25543 1523 1 4 . 1 1 67 67 ALA H H 67 8.106 8.106 8.315 -0.209 25543 1524 1 4 . 1 1 68 68 LYS N N 68 120.031 120.031 119.092 0.939 25543 1525 1 4 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.936 0.191 25543 1526 1 4 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.706 -1.333 25543 1527 1 4 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.453 0.152 25543 1528 1 4 . 1 1 68 68 LYS H H 68 7.815 7.815 8.346 -0.531 25543 1529 1 4 . 1 1 69 69 GLU N N 69 119.896 119.896 119.185 0.711 25543 1530 1 4 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.033 0.090 25543 1531 1 4 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.409 -0.860 25543 1532 1 4 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.307 0.103 25543 1533 1 4 . 1 1 69 69 GLU H H 69 8.149 8.149 8.552 -0.403 25543 1534 1 4 . 1 1 70 70 MET N N 70 119.261 119.261 119.093 0.168 25543 1535 1 4 . 1 1 70 70 MET HA H 70 4.434 4.434 4.224 0.210 25543 1536 1 4 . 1 1 70 70 MET C C 70 174.607 174.607 178.856 -4.249 25543 1537 1 4 . 1 1 70 70 MET CA C 70 56.884 56.884 58.099 -1.216 25543 1538 1 4 . 1 1 70 70 MET CB C 70 32.159 32.159 31.768 0.391 25543 1539 1 4 . 1 1 70 70 MET H H 70 8.215 8.215 8.407 -0.192 25543 1540 1 4 . 1 1 71 71 SER N N 71 115.618 115.618 114.648 0.970 25543 1541 1 4 . 1 1 71 71 SER HA H 71 4.265 4.265 4.084 0.181 25543 1542 1 4 . 1 1 71 71 SER CA C 71 60.463 60.463 61.510 -1.047 25543 1543 1 4 . 1 1 71 71 SER CB C 71 63.135 63.135 62.331 0.804 25543 1544 1 4 . 1 1 71 71 SER H H 71 8.161 8.161 8.282 -0.121 25543 1545 1 4 . 1 1 72 72 GLU N N 72 122.328 122.328 119.235 3.093 25543 1546 1 4 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.160 -0.047 25543 1547 1 4 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.146 -0.030 25543 1548 1 4 . 1 1 72 72 GLU CB C 72 29.427 29.427 30.135 -0.708 25543 1549 1 4 . 1 1 72 72 GLU H H 72 8.247 8.247 7.710 0.537 25543 1550 1 4 . 1 1 73 73 PHE N N 73 120.564 120.564 119.316 1.248 25543 1551 1 4 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.259 0.141 25543 1552 1 4 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.209 -1.712 25543 1553 1 4 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.923 -0.741 25543 1554 1 4 . 1 1 73 73 PHE H H 73 8.126 8.126 8.135 -0.009 25543 1555 1 4 . 1 1 74 74 LEU N N 74 120.761 120.761 117.025 3.736 25543 1556 1 4 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.180 -0.028 25543 1557 1 4 . 1 1 74 74 LEU CA C 74 55.890 55.890 55.958 -0.068 25543 1558 1 4 . 1 1 74 74 LEU CB C 74 42.106 42.106 40.921 1.185 25543 1559 1 4 . 1 1 74 74 LEU H H 74 8.127 8.127 8.449 -0.322 25543 1560 1 4 . 1 1 75 75 SER N N 75 115.178 115.178 116.052 -0.874 25543 1561 1 4 . 1 1 75 75 SER HA H 75 4.357 4.357 4.223 0.134 25543 1562 1 4 . 1 1 75 75 SER CA C 75 58.921 58.921 59.374 -0.453 25543 1563 1 4 . 1 1 75 75 SER CB C 75 63.534 63.534 63.908 -0.374 25543 1564 1 4 . 1 1 75 75 SER H H 75 8.003 8.003 7.584 0.419 25543 1565 1 4 . 1 1 76 76 ARG N N 76 122.367 122.367 120.592 1.775 25543 1566 1 4 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.483 -0.169 25543 1567 1 4 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.052 0.354 25543 1568 1 4 . 1 1 76 76 ARG CB C 76 30.832 30.832 31.099 -0.267 25543 1569 1 4 . 1 1 76 76 ARG H H 76 7.985 7.985 8.586 -0.601 25543 1570 1 4 . 1 1 77 77 GLY N N 77 109.723 109.723 113.198 -3.475 25543 1571 1 4 . 1 1 77 77 GLY CA C 77 44.400 44.400 45.026 -0.626 25543 1572 1 4 . 1 1 77 77 GLY H H 77 8.151 8.151 8.405 -0.254 25543 1573 1 4 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.546 -0.181 25543 1574 1 4 . 1 1 78 78 PRO C C 78 173.976 173.976 177.844 -3.868 25543 1575 1 4 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.761 0.466 25543 1576 1 4 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.706 0.322 25543 1577 1 5 . 1 1 7 7 GLN N N 7 120.283 120.283 121.209 -0.926 25543 1578 1 5 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.965 0.170 25543 1579 1 5 . 1 1 7 7 GLN C C 7 174.902 174.902 177.896 -2.994 25543 1580 1 5 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.952 -1.634 25543 1581 1 5 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.814 0.886 25543 1582 1 5 . 1 1 7 7 GLN H H 7 8.340 8.340 8.743 -0.403 25543 1583 1 5 . 1 1 8 8 GLN N N 8 120.710 120.710 117.172 3.538 25543 1584 1 5 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.027 0.020 25543 1585 1 5 . 1 1 8 8 GLN C C 8 174.564 174.564 178.169 -3.605 25543 1586 1 5 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.795 -0.694 25543 1587 1 5 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.815 0.679 25543 1588 1 5 . 1 1 8 8 GLN H H 8 8.434 8.434 8.765 -0.331 25543 1589 1 5 . 1 1 9 9 ALA N N 9 122.740 122.740 122.367 0.373 25543 1590 1 5 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.119 0.074 25543 1591 1 5 . 1 1 9 9 ALA C C 9 177.504 177.504 179.655 -2.151 25543 1592 1 5 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.864 -0.282 25543 1593 1 5 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.099 0.032 25543 1594 1 5 . 1 1 9 9 ALA H H 9 8.144 8.144 7.838 0.306 25543 1595 1 5 . 1 1 10 10 VAL N N 10 120.344 120.344 118.954 1.390 25543 1596 1 5 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.724 0.071 25543 1597 1 5 . 1 1 10 10 VAL C C 10 175.143 175.143 177.886 -2.743 25543 1598 1 5 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.070 0.356 25543 1599 1 5 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.698 0.370 25543 1600 1 5 . 1 1 10 10 VAL H H 10 7.854 7.854 7.827 0.027 25543 1601 1 5 . 1 1 11 11 LEU N N 11 121.896 121.896 120.922 0.974 25543 1602 1 5 . 1 1 11 11 LEU HA H 11 4.135 4.135 4.027 0.108 25543 1603 1 5 . 1 1 11 11 LEU C C 11 177.143 177.143 178.851 -1.708 25543 1604 1 5 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.125 -0.435 25543 1605 1 5 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.726 -0.083 25543 1606 1 5 . 1 1 11 11 LEU H H 11 7.936 7.936 8.688 -0.752 25543 1607 1 5 . 1 1 12 12 GLU N N 12 120.197 120.197 118.227 1.970 25543 1608 1 5 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.839 0.301 25543 1609 1 5 . 1 1 12 12 GLU C C 12 175.602 175.602 179.117 -3.515 25543 1610 1 5 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.401 -0.895 25543 1611 1 5 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.952 0.305 25543 1612 1 5 . 1 1 12 12 GLU H H 12 8.310 8.310 8.184 0.126 25543 1613 1 5 . 1 1 13 13 GLN N N 13 120.843 120.843 120.358 0.485 25543 1614 1 5 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.071 -0.153 25543 1615 1 5 . 1 1 13 13 GLN C C 13 174.656 174.656 178.311 -3.655 25543 1616 1 5 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.533 -0.112 25543 1617 1 5 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.303 -0.199 25543 1618 1 5 . 1 1 13 13 GLN H H 13 8.073 8.073 8.476 -0.403 25543 1619 1 5 . 1 1 14 14 GLU N N 14 119.589 119.589 120.251 -0.662 25543 1620 1 5 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.955 0.143 25543 1621 1 5 . 1 1 14 14 GLU C C 14 176.412 176.412 179.237 -2.825 25543 1622 1 5 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.594 -0.318 25543 1623 1 5 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.465 -0.146 25543 1624 1 5 . 1 1 14 14 GLU H H 14 8.340 8.340 7.941 0.399 25543 1625 1 5 . 1 1 15 15 ARG N N 15 120.353 120.353 118.837 1.516 25543 1626 1 5 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.957 0.023 25543 1627 1 5 . 1 1 15 15 ARG C C 15 175.896 175.896 178.858 -2.962 25543 1628 1 5 . 1 1 15 15 ARG CA C 15 59.503 59.503 60.121 -0.619 25543 1629 1 5 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.240 -0.406 25543 1630 1 5 . 1 1 15 15 ARG H H 15 7.995 7.995 8.415 -0.420 25543 1631 1 5 . 1 1 16 16 ARG N N 16 120.490 120.490 118.938 1.552 25543 1632 1 5 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.967 0.067 25543 1633 1 5 . 1 1 16 16 ARG C C 16 176.476 176.476 178.362 -1.886 25543 1634 1 5 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.606 -0.238 25543 1635 1 5 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.878 -0.046 25543 1636 1 5 . 1 1 16 16 ARG H H 16 8.169 8.169 8.210 -0.041 25543 1637 1 5 . 1 1 17 17 ASP N N 17 120.965 120.965 119.367 1.598 25543 1638 1 5 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.290 0.149 25543 1639 1 5 . 1 1 17 17 ASP C C 17 176.291 176.291 178.647 -2.356 25543 1640 1 5 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.515 -0.263 25543 1641 1 5 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.776 -0.867 25543 1642 1 5 . 1 1 17 17 ASP H H 17 8.684 8.684 8.360 0.324 25543 1643 1 5 . 1 1 18 18 ARG N N 18 122.128 122.128 119.143 2.985 25543 1644 1 5 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.975 0.156 25543 1645 1 5 . 1 1 18 18 ARG C C 18 175.897 175.897 179.166 -3.269 25543 1646 1 5 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.383 -0.230 25543 1647 1 5 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.244 -0.117 25543 1648 1 5 . 1 1 18 18 ARG H H 18 8.183 8.183 8.132 0.051 25543 1649 1 5 . 1 1 19 19 GLU N N 19 120.044 120.044 119.737 0.307 25543 1650 1 5 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.029 -0.012 25543 1651 1 5 . 1 1 19 19 GLU C C 19 172.902 172.902 179.163 -6.261 25543 1652 1 5 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.312 -0.123 25543 1653 1 5 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.390 -0.086 25543 1654 1 5 . 1 1 19 19 GLU H H 19 8.207 8.207 7.972 0.235 25543 1655 1 5 . 1 1 20 20 LEU N N 20 121.172 121.172 120.432 0.740 25543 1656 1 5 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.942 0.190 25543 1657 1 5 . 1 1 20 20 LEU C C 20 174.935 174.935 179.015 -4.080 25543 1658 1 5 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.161 -0.285 25543 1659 1 5 . 1 1 20 20 LEU CB C 20 41.670 41.670 40.919 0.751 25543 1660 1 5 . 1 1 20 20 LEU H H 20 8.102 8.102 8.570 -0.468 25543 1661 1 5 . 1 1 21 21 ALA N N 21 120.754 120.754 121.339 -0.585 25543 1662 1 5 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.941 0.146 25543 1663 1 5 . 1 1 21 21 ALA C C 21 177.689 177.689 180.044 -2.355 25543 1664 1 5 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.048 -0.378 25543 1665 1 5 . 1 1 21 21 ALA CB C 21 17.987 17.987 17.994 -0.007 25543 1666 1 5 . 1 1 21 21 ALA H H 21 7.864 7.864 8.157 -0.293 25543 1667 1 5 . 1 1 22 22 LEU N N 22 119.357 119.357 118.827 0.530 25543 1668 1 5 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.018 0.159 25543 1669 1 5 . 1 1 22 22 LEU C C 22 175.842 175.842 178.895 -3.053 25543 1670 1 5 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.766 -0.709 25543 1671 1 5 . 1 1 22 22 LEU CB C 22 41.963 41.963 42.017 -0.054 25543 1672 1 5 . 1 1 22 22 LEU H H 22 7.901 7.901 8.025 -0.124 25543 1673 1 5 . 1 1 23 23 ARG N N 23 120.416 120.416 119.755 0.661 25543 1674 1 5 . 1 1 23 23 ARG HA H 23 4.151 4.151 4.007 0.144 25543 1675 1 5 . 1 1 23 23 ARG C C 23 176.236 176.236 179.123 -2.887 25543 1676 1 5 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.024 -1.490 25543 1677 1 5 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.330 -0.173 25543 1678 1 5 . 1 1 23 23 ARG H H 23 7.890 7.890 8.114 -0.224 25543 1679 1 5 . 1 1 24 24 ILE N N 24 121.088 121.088 119.818 1.270 25543 1680 1 5 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.751 0.126 25543 1681 1 5 . 1 1 24 24 ILE C C 24 174.946 174.946 177.672 -2.726 25543 1682 1 5 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.842 -1.228 25543 1683 1 5 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.563 0.652 25543 1684 1 5 . 1 1 24 24 ILE H H 24 8.254 8.254 8.656 -0.402 25543 1685 1 5 . 1 1 25 25 ALA N N 25 124.216 124.216 122.832 1.384 25543 1686 1 5 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.984 0.238 25543 1687 1 5 . 1 1 25 25 ALA C C 25 176.883 176.883 180.003 -3.120 25543 1688 1 5 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.529 -1.456 25543 1689 1 5 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.067 0.410 25543 1690 1 5 . 1 1 25 25 ALA H H 25 8.053 8.053 8.320 -0.267 25543 1691 1 5 . 1 1 26 26 GLN N N 26 118.617 118.617 117.148 1.469 25543 1692 1 5 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.029 0.174 25543 1693 1 5 . 1 1 26 26 GLN C C 26 174.564 174.564 178.853 -4.289 25543 1694 1 5 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.376 -1.157 25543 1695 1 5 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.303 0.566 25543 1696 1 5 . 1 1 26 26 GLN H H 26 8.269 8.269 8.271 -0.002 25543 1697 1 5 . 1 1 27 27 SER N N 27 116.340 116.340 116.872 -0.532 25543 1698 1 5 . 1 1 27 27 SER HA H 27 4.350 4.350 4.119 0.231 25543 1699 1 5 . 1 1 27 27 SER C C 27 172.902 172.902 176.262 -3.360 25543 1700 1 5 . 1 1 27 27 SER CA C 27 59.941 59.941 61.969 -2.029 25543 1701 1 5 . 1 1 27 27 SER CB C 27 63.458 63.458 63.219 0.238 25543 1702 1 5 . 1 1 27 27 SER H H 27 8.195 8.195 8.223 -0.028 25543 1703 1 5 . 1 1 28 28 GLU N N 28 122.168 122.168 121.479 0.689 25543 1704 1 5 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.040 0.127 25543 1705 1 5 . 1 1 28 28 GLU C C 28 174.568 174.568 178.199 -3.631 25543 1706 1 5 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.968 -1.092 25543 1707 1 5 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.900 1.060 25543 1708 1 5 . 1 1 28 28 GLU H H 28 8.316 8.316 8.601 -0.285 25543 1709 1 5 . 1 1 29 29 ALA N N 29 122.950 122.950 121.932 1.018 25543 1710 1 5 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.182 0.021 25543 1711 1 5 . 1 1 29 29 ALA C C 29 176.938 176.938 179.464 -2.526 25543 1712 1 5 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.072 -0.715 25543 1713 1 5 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.083 -0.230 25543 1714 1 5 . 1 1 29 29 ALA H H 29 8.029 8.029 7.819 0.210 25543 1715 1 5 . 1 1 30 30 GLU N N 30 119.092 119.092 116.608 2.484 25543 1716 1 5 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.259 -0.105 25543 1717 1 5 . 1 1 30 30 GLU C C 30 174.531 174.531 177.524 -2.993 25543 1718 1 5 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.620 0.469 25543 1719 1 5 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.478 -0.537 25543 1720 1 5 . 1 1 30 30 GLU H H 30 8.104 8.104 7.697 0.407 25543 1721 1 5 . 1 1 31 31 LEU N N 31 122.322 122.322 118.412 3.910 25543 1722 1 5 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.960 0.328 25543 1723 1 5 . 1 1 31 31 LEU C C 31 176.006 176.006 176.861 -0.855 25543 1724 1 5 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.044 -0.346 25543 1725 1 5 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.451 1.667 25543 1726 1 5 . 1 1 31 31 LEU H H 31 8.016 8.016 8.462 -0.446 25543 1727 1 5 . 1 1 32 32 ILE N N 32 121.365 121.365 116.909 4.456 25543 1728 1 5 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.055 0.097 25543 1729 1 5 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.651 -1.307 25543 1730 1 5 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.457 0.072 25543 1731 1 5 . 1 1 32 32 ILE H H 32 8.050 8.050 7.535 0.515 25543 1732 1 5 . 1 1 33 33 SER N N 33 120.203 120.203 116.772 3.431 25543 1733 1 5 . 1 1 33 33 SER HA H 33 4.409 4.409 4.353 0.056 25543 1734 1 5 . 1 1 33 33 SER CA C 33 58.468 58.468 58.647 -0.179 25543 1735 1 5 . 1 1 33 33 SER CB C 33 64.021 64.021 61.639 2.382 25543 1736 1 5 . 1 1 33 33 SER H H 33 8.391 8.391 8.448 -0.057 25543 1737 1 5 . 1 1 34 34 ASP N N 34 123.136 123.136 123.129 0.007 25543 1738 1 5 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.387 0.107 25543 1739 1 5 . 1 1 34 34 ASP C C 34 175.121 175.121 177.409 -2.288 25543 1740 1 5 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.239 -1.559 25543 1741 1 5 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.046 -0.368 25543 1742 1 5 . 1 1 34 34 ASP H H 34 8.629 8.629 8.366 0.263 25543 1743 1 5 . 1 1 35 35 GLU N N 35 121.638 121.638 119.154 2.484 25543 1744 1 5 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.029 0.079 25543 1745 1 5 . 1 1 35 35 GLU C C 35 174.886 174.886 178.291 -3.405 25543 1746 1 5 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.113 -0.528 25543 1747 1 5 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.828 0.705 25543 1748 1 5 . 1 1 35 35 GLU H H 35 8.579 8.579 8.573 0.006 25543 1749 1 5 . 1 1 36 36 ALA N N 36 123.946 123.946 122.724 1.222 25543 1750 1 5 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.010 0.219 25543 1751 1 5 . 1 1 36 36 ALA C C 36 177.012 177.012 180.020 -3.008 25543 1752 1 5 . 1 1 36 36 ALA CA C 36 53.808 53.808 54.922 -1.114 25543 1753 1 5 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.036 0.509 25543 1754 1 5 . 1 1 36 36 ALA H H 36 8.235 8.235 7.592 0.643 25543 1755 1 5 . 1 1 37 37 GLN N N 37 118.885 118.885 118.311 0.574 25543 1756 1 5 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.926 0.200 25543 1757 1 5 . 1 1 37 37 GLN C C 37 174.897 174.897 178.619 -3.722 25543 1758 1 5 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.531 -1.130 25543 1759 1 5 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.149 0.632 25543 1760 1 5 . 1 1 37 37 GLN H H 37 8.295 8.295 7.699 0.596 25543 1761 1 5 . 1 1 38 38 ALA N N 38 124.163 124.163 122.227 1.936 25543 1762 1 5 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.957 0.217 25543 1763 1 5 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.159 -1.063 25543 1764 1 5 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.049 0.407 25543 1765 1 5 . 1 1 38 38 ALA H H 38 8.217 8.217 8.246 -0.029 25543 1766 1 5 . 1 1 39 39 ASP N N 39 119.226 119.226 119.896 -0.670 25543 1767 1 5 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.382 0.094 25543 1768 1 5 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.066 -1.222 25543 1769 1 5 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.731 0.248 25543 1770 1 5 . 1 1 39 39 ASP H H 39 8.145 8.145 7.887 0.258 25543 1771 1 5 . 1 1 40 40 LEU N N 40 121.976 121.976 120.231 1.745 25543 1772 1 5 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.866 0.199 25543 1773 1 5 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.726 -0.596 25543 1774 1 5 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.478 0.484 25543 1775 1 5 . 1 1 40 40 LEU H H 40 8.018 8.018 8.302 -0.284 25543 1776 1 5 . 1 1 41 41 ALA N N 41 121.547 121.547 121.968 -0.421 25543 1777 1 5 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.990 0.110 25543 1778 1 5 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.157 -1.098 25543 1779 1 5 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.227 -0.031 25543 1780 1 5 . 1 1 41 41 ALA H H 41 8.076 8.076 8.092 -0.016 25543 1781 1 5 . 1 1 42 42 LEU N N 42 119.599 119.599 118.071 1.528 25543 1782 1 5 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.943 0.254 25543 1783 1 5 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.571 -1.169 25543 1784 1 5 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.748 0.278 25543 1785 1 5 . 1 1 42 42 LEU H H 42 7.832 7.832 7.936 -0.104 25543 1786 1 5 . 1 1 43 43 ARG N N 43 120.126 120.126 117.504 2.622 25543 1787 1 5 . 1 1 43 43 ARG HA H 43 4.121 4.121 3.973 0.148 25543 1788 1 5 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.636 -0.958 25543 1789 1 5 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.617 -0.423 25543 1790 1 5 . 1 1 43 43 ARG H H 43 8.047 8.047 8.206 -0.159 25543 1791 1 5 . 1 1 44 44 ARG N N 44 120.206 120.206 117.806 2.400 25543 1792 1 5 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.164 0.075 25543 1793 1 5 . 1 1 44 44 ARG C C 44 173.165 173.165 176.816 -3.651 25543 1794 1 5 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.362 -0.251 25543 1795 1 5 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.227 0.365 25543 1796 1 5 . 1 1 44 44 ARG H H 44 8.206 8.206 8.228 -0.022 25543 1797 1 5 . 1 1 45 45 SER N N 45 116.312 116.312 114.880 1.432 25543 1798 1 5 . 1 1 45 45 SER HA H 45 4.369 4.369 4.395 -0.026 25543 1799 1 5 . 1 1 45 45 SER C C 45 170.903 170.903 176.457 -5.554 25543 1800 1 5 . 1 1 45 45 SER CA C 45 59.151 59.151 58.438 0.713 25543 1801 1 5 . 1 1 45 45 SER CB C 45 63.539 63.539 64.655 -1.116 25543 1802 1 5 . 1 1 45 45 SER H H 45 8.171 8.171 7.779 0.392 25543 1803 1 5 . 1 1 46 46 LEU N N 46 123.524 123.524 124.551 -1.027 25543 1804 1 5 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.247 0.043 25543 1805 1 5 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.270 -0.551 25543 1806 1 5 . 1 1 46 46 LEU CB C 46 42.071 42.071 40.560 1.511 25543 1807 1 5 . 1 1 46 46 LEU H H 46 8.168 8.168 8.833 -0.665 25543 1808 1 5 . 1 1 47 47 ASP N N 47 119.853 119.853 118.555 1.298 25543 1809 1 5 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.578 -0.041 25543 1810 1 5 . 1 1 47 47 ASP C C 47 173.143 173.143 176.854 -3.711 25543 1811 1 5 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.799 -1.060 25543 1812 1 5 . 1 1 47 47 ASP CB C 47 40.937 40.937 41.850 -0.913 25543 1813 1 5 . 1 1 47 47 ASP H H 47 8.154 8.154 8.017 0.137 25543 1814 1 5 . 1 1 48 48 SER N N 48 114.867 114.867 117.085 -2.218 25543 1815 1 5 . 1 1 48 48 SER HA H 48 4.340 4.340 4.434 -0.094 25543 1816 1 5 . 1 1 48 48 SER C C 48 170.816 170.816 174.349 -3.533 25543 1817 1 5 . 1 1 48 48 SER CA C 48 58.345 58.345 57.360 0.985 25543 1818 1 5 . 1 1 48 48 SER CB C 48 63.835 63.835 61.938 1.897 25543 1819 1 5 . 1 1 48 48 SER H H 48 7.960 7.960 7.466 0.494 25543 1820 1 5 . 1 1 49 49 TYR N N 49 123.355 123.355 122.140 1.215 25543 1821 1 5 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.602 0.133 25543 1822 1 5 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.489 0.652 25543 1823 1 5 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.398 0.746 25543 1824 1 5 . 1 1 49 49 TYR H H 49 8.102 8.102 7.813 0.289 25543 1825 1 5 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.186 0.241 25543 1826 1 5 . 1 1 50 50 PRO C C 50 173.908 173.908 175.676 -1.768 25543 1827 1 5 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.789 -0.744 25543 1828 1 5 . 1 1 50 50 PRO CB C 50 31.892 31.892 31.874 0.018 25543 1829 1 5 . 1 1 51 51 VAL N N 51 120.746 120.746 121.933 -1.187 25543 1830 1 5 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.169 -0.081 25543 1831 1 5 . 1 1 51 51 VAL C C 51 173.504 173.504 175.837 -2.333 25543 1832 1 5 . 1 1 51 51 VAL CA C 51 62.302 62.302 60.745 1.557 25543 1833 1 5 . 1 1 51 51 VAL CB C 51 32.866 32.866 33.971 -1.105 25543 1834 1 5 . 1 1 51 51 VAL H H 51 8.270 8.270 7.893 0.377 25543 1835 1 5 . 1 1 52 52 SER N N 52 119.837 119.837 119.527 0.310 25543 1836 1 5 . 1 1 52 52 SER HA H 52 4.429 4.429 4.522 -0.093 25543 1837 1 5 . 1 1 52 52 SER C C 52 171.799 171.799 173.963 -2.164 25543 1838 1 5 . 1 1 52 52 SER CA C 52 58.088 58.088 57.938 0.150 25543 1839 1 5 . 1 1 52 52 SER CB C 52 63.948 63.948 63.006 0.942 25543 1840 1 5 . 1 1 52 52 SER H H 52 8.493 8.493 8.388 0.105 25543 1841 1 5 . 1 1 53 53 LYS N N 53 123.948 123.948 126.185 -2.237 25543 1842 1 5 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.551 -0.280 25543 1843 1 5 . 1 1 53 53 LYS C C 53 173.547 173.547 176.016 -2.469 25543 1844 1 5 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.040 1.460 25543 1845 1 5 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.730 -0.763 25543 1846 1 5 . 1 1 53 53 LYS H H 53 8.531 8.531 8.050 0.481 25543 1847 1 5 . 1 1 54 54 ASN N N 54 119.853 119.853 124.617 -4.764 25543 1848 1 5 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.617 0.082 25543 1849 1 5 . 1 1 54 54 ASN C C 54 172.115 172.115 174.962 -2.847 25543 1850 1 5 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.456 -0.244 25543 1851 1 5 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.679 0.122 25543 1852 1 5 . 1 1 54 54 ASN H H 54 8.532 8.532 8.712 -0.180 25543 1853 1 5 . 1 1 55 55 ASP N N 55 121.271 121.271 123.117 -1.846 25543 1854 1 5 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.364 0.210 25543 1855 1 5 . 1 1 55 55 ASP C C 55 174.105 174.105 175.739 -1.634 25543 1856 1 5 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.137 -0.978 25543 1857 1 5 . 1 1 55 55 ASP CB C 55 41.040 41.040 39.133 1.907 25543 1858 1 5 . 1 1 55 55 ASP H H 55 8.297 8.297 8.496 -0.199 25543 1859 1 5 . 1 1 56 56 GLY N N 56 109.368 109.368 103.208 6.160 25543 1860 1 5 . 1 1 56 56 GLY C C 56 171.941 171.941 173.815 -1.874 25543 1861 1 5 . 1 1 56 56 GLY CA C 56 45.511 45.511 44.762 0.749 25543 1862 1 5 . 1 1 56 56 GLY H H 56 8.497 8.497 7.939 0.558 25543 1863 1 5 . 1 1 57 57 THR N N 57 113.628 113.628 111.991 1.637 25543 1864 1 5 . 1 1 57 57 THR HA H 57 4.275 4.275 3.851 0.424 25543 1865 1 5 . 1 1 57 57 THR C C 57 171.744 171.744 174.380 -2.636 25543 1866 1 5 . 1 1 57 57 THR CA C 57 62.240 62.240 63.176 -0.936 25543 1867 1 5 . 1 1 57 57 THR CB C 57 69.941 69.941 67.268 2.673 25543 1868 1 5 . 1 1 57 57 THR H H 57 8.156 8.156 8.154 0.002 25543 1869 1 5 . 1 1 58 58 ARG N N 58 124.521 124.521 121.094 3.427 25543 1870 1 5 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.646 -0.026 25543 1871 1 5 . 1 1 58 58 ARG C C 58 171.187 171.187 175.149 -3.962 25543 1872 1 5 . 1 1 58 58 ARG CA C 58 53.969 53.969 53.980 -0.011 25543 1873 1 5 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.859 -0.713 25543 1874 1 5 . 1 1 58 58 ARG H H 58 8.322 8.322 7.660 0.662 25543 1875 1 5 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.525 -0.143 25543 1876 1 5 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.688 0.215 25543 1877 1 5 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.402 -0.209 25543 1878 1 5 . 1 1 60 60 LYS N N 60 122.142 122.142 120.294 1.848 25543 1879 1 5 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.500 -0.297 25543 1880 1 5 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.965 0.363 25543 1881 1 5 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.929 -1.124 25543 1882 1 5 . 1 1 60 60 LYS H H 60 8.513 8.513 8.273 0.240 25543 1883 1 5 . 1 1 61 61 MET N N 61 122.695 122.695 123.501 -0.806 25543 1884 1 5 . 1 1 61 61 MET HA H 61 4.598 4.598 4.813 -0.215 25543 1885 1 5 . 1 1 61 61 MET C C 61 173.077 173.077 175.760 -2.683 25543 1886 1 5 . 1 1 61 61 MET CA C 61 55.296 55.296 54.496 0.800 25543 1887 1 5 . 1 1 61 61 MET CB C 61 34.491 34.491 33.695 0.796 25543 1888 1 5 . 1 1 61 61 MET H H 61 8.446 8.446 8.228 0.218 25543 1889 1 5 . 1 1 62 62 THR N N 62 115.170 115.170 112.305 2.865 25543 1890 1 5 . 1 1 62 62 THR HA H 62 4.620 4.620 4.693 -0.073 25543 1891 1 5 . 1 1 62 62 THR C C 62 170.881 170.881 174.403 -3.522 25543 1892 1 5 . 1 1 62 62 THR CA C 62 59.858 59.858 58.825 1.033 25543 1893 1 5 . 1 1 62 62 THR CB C 62 68.752 68.752 69.048 -0.296 25543 1894 1 5 . 1 1 62 62 THR H H 62 8.437 8.437 8.381 0.056 25543 1895 1 5 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.053 0.221 25543 1896 1 5 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.933 -0.559 25543 1897 1 5 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.826 -0.063 25543 1898 1 5 . 1 1 64 64 GLU N N 64 118.596 118.596 116.734 1.862 25543 1899 1 5 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.025 0.038 25543 1900 1 5 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.852 -0.239 25543 1901 1 5 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.294 -0.277 25543 1902 1 5 . 1 1 64 64 GLU H H 64 8.813 8.813 8.814 -0.001 25543 1903 1 5 . 1 1 65 65 GLN N N 65 121.250 121.250 118.571 2.679 25543 1904 1 5 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.989 0.057 25543 1905 1 5 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.172 -1.056 25543 1906 1 5 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.650 0.061 25543 1907 1 5 . 1 1 65 65 GLN H H 65 7.964 7.964 8.117 -0.153 25543 1908 1 5 . 1 1 66 66 MET N N 66 120.082 120.082 117.391 2.691 25543 1909 1 5 . 1 1 66 66 MET HA H 66 4.156 4.156 4.093 0.063 25543 1910 1 5 . 1 1 66 66 MET CA C 66 58.241 58.241 58.271 -0.030 25543 1911 1 5 . 1 1 66 66 MET CB C 66 32.558 32.558 31.410 1.148 25543 1912 1 5 . 1 1 66 66 MET H H 66 8.429 8.429 7.776 0.653 25543 1913 1 5 . 1 1 67 67 ALA N N 67 122.222 122.222 123.206 -0.984 25543 1914 1 5 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.895 0.262 25543 1915 1 5 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.518 -1.247 25543 1916 1 5 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.099 0.180 25543 1917 1 5 . 1 1 67 67 ALA H H 67 8.106 8.106 8.269 -0.163 25543 1918 1 5 . 1 1 68 68 LYS N N 68 120.031 120.031 119.102 0.929 25543 1919 1 5 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.903 0.224 25543 1920 1 5 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.568 -1.194 25543 1921 1 5 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.473 0.131 25543 1922 1 5 . 1 1 68 68 LYS H H 68 7.815 7.815 8.099 -0.284 25543 1923 1 5 . 1 1 69 69 GLU N N 69 119.896 119.896 119.169 0.727 25543 1924 1 5 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.987 0.136 25543 1925 1 5 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.383 -0.834 25543 1926 1 5 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.251 0.159 25543 1927 1 5 . 1 1 69 69 GLU H H 69 8.149 8.149 8.390 -0.241 25543 1928 1 5 . 1 1 70 70 MET N N 70 119.261 119.261 119.021 0.240 25543 1929 1 5 . 1 1 70 70 MET HA H 70 4.434 4.434 4.253 0.181 25543 1930 1 5 . 1 1 70 70 MET C C 70 174.607 174.607 178.874 -4.267 25543 1931 1 5 . 1 1 70 70 MET CA C 70 56.884 56.884 57.974 -1.090 25543 1932 1 5 . 1 1 70 70 MET CB C 70 32.159 32.159 31.760 0.399 25543 1933 1 5 . 1 1 70 70 MET H H 70 8.215 8.215 8.433 -0.218 25543 1934 1 5 . 1 1 71 71 SER N N 71 115.618 115.618 115.090 0.528 25543 1935 1 5 . 1 1 71 71 SER HA H 71 4.265 4.265 4.181 0.084 25543 1936 1 5 . 1 1 71 71 SER CA C 71 60.463 60.463 62.009 -1.546 25543 1937 1 5 . 1 1 71 71 SER CB C 71 63.135 63.135 62.727 0.408 25543 1938 1 5 . 1 1 71 71 SER H H 71 8.161 8.161 8.367 -0.206 25543 1939 1 5 . 1 1 72 72 GLU N N 72 122.328 122.328 120.870 1.458 25543 1940 1 5 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.225 -0.112 25543 1941 1 5 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.344 -0.228 25543 1942 1 5 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.833 -0.406 25543 1943 1 5 . 1 1 72 72 GLU H H 72 8.247 8.247 8.199 0.048 25543 1944 1 5 . 1 1 73 73 PHE N N 73 120.564 120.564 119.768 0.796 25543 1945 1 5 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.251 0.149 25543 1946 1 5 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.859 -1.362 25543 1947 1 5 . 1 1 73 73 PHE CB C 73 39.182 39.182 40.108 -0.926 25543 1948 1 5 . 1 1 73 73 PHE H H 73 8.126 8.126 8.026 0.100 25543 1949 1 5 . 1 1 74 74 LEU N N 74 120.761 120.761 116.068 4.693 25543 1950 1 5 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.039 0.113 25543 1951 1 5 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.768 -0.878 25543 1952 1 5 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.931 0.175 25543 1953 1 5 . 1 1 74 74 LEU H H 74 8.127 8.127 8.588 -0.461 25543 1954 1 5 . 1 1 75 75 SER N N 75 115.178 115.178 113.455 1.723 25543 1955 1 5 . 1 1 75 75 SER HA H 75 4.357 4.357 4.369 -0.012 25543 1956 1 5 . 1 1 75 75 SER CA C 75 58.921 58.921 57.785 1.136 25543 1957 1 5 . 1 1 75 75 SER CB C 75 63.534 63.534 62.721 0.813 25543 1958 1 5 . 1 1 75 75 SER H H 75 8.003 8.003 7.699 0.304 25543 1959 1 5 . 1 1 76 76 ARG N N 76 122.367 122.367 126.197 -3.830 25543 1960 1 5 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.223 0.091 25543 1961 1 5 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.501 -0.095 25543 1962 1 5 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.691 0.141 25543 1963 1 5 . 1 1 76 76 ARG H H 76 7.985 7.985 7.900 0.085 25543 1964 1 5 . 1 1 77 77 GLY N N 77 109.723 109.723 110.087 -0.364 25543 1965 1 5 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.440 -0.040 25543 1966 1 5 . 1 1 77 77 GLY H H 77 8.151 8.151 8.374 -0.223 25543 1967 1 5 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.313 0.052 25543 1968 1 5 . 1 1 78 78 PRO C C 78 173.976 173.976 177.287 -3.311 25543 1969 1 5 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.289 -0.063 25543 1970 1 5 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.790 0.238 25543 1971 1 6 . 1 1 7 7 GLN N N 7 120.283 120.283 121.725 -1.442 25543 1972 1 6 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.967 0.168 25543 1973 1 6 . 1 1 7 7 GLN C C 7 174.902 174.902 178.099 -3.197 25543 1974 1 6 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.950 -1.632 25543 1975 1 6 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.144 0.556 25543 1976 1 6 . 1 1 7 7 GLN H H 7 8.340 8.340 8.811 -0.471 25543 1977 1 6 . 1 1 8 8 GLN N N 8 120.710 120.710 117.005 3.705 25543 1978 1 6 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.025 0.022 25543 1979 1 6 . 1 1 8 8 GLN C C 8 174.564 174.564 178.458 -3.894 25543 1980 1 6 . 1 1 8 8 GLN CA C 8 58.101 58.101 59.075 -0.974 25543 1981 1 6 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.681 0.813 25543 1982 1 6 . 1 1 8 8 GLN H H 8 8.434 8.434 8.740 -0.306 25543 1983 1 6 . 1 1 9 9 ALA N N 9 122.740 122.740 122.796 -0.056 25543 1984 1 6 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.150 0.043 25543 1985 1 6 . 1 1 9 9 ALA C C 9 177.504 177.504 179.668 -2.164 25543 1986 1 6 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.886 -0.304 25543 1987 1 6 . 1 1 9 9 ALA CB C 9 18.131 18.131 17.916 0.215 25543 1988 1 6 . 1 1 9 9 ALA H H 9 8.144 8.144 7.216 0.928 25543 1989 1 6 . 1 1 10 10 VAL N N 10 120.344 120.344 119.552 0.792 25543 1990 1 6 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.689 0.106 25543 1991 1 6 . 1 1 10 10 VAL C C 10 175.143 175.143 177.731 -2.588 25543 1992 1 6 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.336 0.090 25543 1993 1 6 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.404 0.664 25543 1994 1 6 . 1 1 10 10 VAL H H 10 7.854 7.854 7.910 -0.056 25543 1995 1 6 . 1 1 11 11 LEU N N 11 121.896 121.896 120.328 1.568 25543 1996 1 6 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.792 0.343 25543 1997 1 6 . 1 1 11 11 LEU C C 11 177.143 177.143 178.783 -1.640 25543 1998 1 6 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.669 -0.979 25543 1999 1 6 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.215 0.428 25543 2000 1 6 . 1 1 11 11 LEU H H 11 7.936 7.936 8.889 -0.953 25543 2001 1 6 . 1 1 12 12 GLU N N 12 120.197 120.197 118.005 2.192 25543 2002 1 6 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.891 0.249 25543 2003 1 6 . 1 1 12 12 GLU C C 12 175.602 175.602 179.257 -3.655 25543 2004 1 6 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.683 -1.177 25543 2005 1 6 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.043 0.214 25543 2006 1 6 . 1 1 12 12 GLU H H 12 8.310 8.310 7.899 0.411 25543 2007 1 6 . 1 1 13 13 GLN N N 13 120.843 120.843 119.375 1.468 25543 2008 1 6 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.011 -0.093 25543 2009 1 6 . 1 1 13 13 GLN C C 13 174.656 174.656 178.516 -3.860 25543 2010 1 6 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.796 -0.375 25543 2011 1 6 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.319 -0.215 25543 2012 1 6 . 1 1 13 13 GLN H H 13 8.073 8.073 8.436 -0.363 25543 2013 1 6 . 1 1 14 14 GLU N N 14 119.589 119.589 119.594 -0.005 25543 2014 1 6 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.001 0.097 25543 2015 1 6 . 1 1 14 14 GLU C C 14 176.412 176.412 179.183 -2.771 25543 2016 1 6 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.492 -0.216 25543 2017 1 6 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.278 0.041 25543 2018 1 6 . 1 1 14 14 GLU H H 14 8.340 8.340 8.393 -0.053 25543 2019 1 6 . 1 1 15 15 ARG N N 15 120.353 120.353 118.639 1.714 25543 2020 1 6 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.978 0.002 25543 2021 1 6 . 1 1 15 15 ARG C C 15 175.896 175.896 178.820 -2.924 25543 2022 1 6 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.353 0.150 25543 2023 1 6 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.806 0.028 25543 2024 1 6 . 1 1 15 15 ARG H H 15 7.995 7.995 8.595 -0.600 25543 2025 1 6 . 1 1 16 16 ARG N N 16 120.490 120.490 119.517 0.973 25543 2026 1 6 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.993 0.041 25543 2027 1 6 . 1 1 16 16 ARG C C 16 176.476 176.476 178.067 -1.591 25543 2028 1 6 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.709 -0.341 25543 2029 1 6 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.046 -0.213 25543 2030 1 6 . 1 1 16 16 ARG H H 16 8.169 8.169 8.392 -0.223 25543 2031 1 6 . 1 1 17 17 ASP N N 17 120.965 120.965 118.969 1.996 25543 2032 1 6 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.278 0.161 25543 2033 1 6 . 1 1 17 17 ASP C C 17 176.291 176.291 178.775 -2.484 25543 2034 1 6 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.535 -0.283 25543 2035 1 6 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.751 -0.842 25543 2036 1 6 . 1 1 17 17 ASP H H 17 8.684 8.684 8.318 0.366 25543 2037 1 6 . 1 1 18 18 ARG N N 18 122.128 122.128 119.057 3.071 25543 2038 1 6 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.953 0.178 25543 2039 1 6 . 1 1 18 18 ARG C C 18 175.897 175.897 178.952 -3.055 25543 2040 1 6 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.616 -0.463 25543 2041 1 6 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.256 -0.129 25543 2042 1 6 . 1 1 18 18 ARG H H 18 8.183 8.183 8.441 -0.258 25543 2043 1 6 . 1 1 19 19 GLU N N 19 120.044 120.044 119.738 0.306 25543 2044 1 6 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.985 0.032 25543 2045 1 6 . 1 1 19 19 GLU C C 19 172.902 172.902 179.176 -6.274 25543 2046 1 6 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.471 -0.282 25543 2047 1 6 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.350 -0.046 25543 2048 1 6 . 1 1 19 19 GLU H H 19 8.207 8.207 8.145 0.062 25543 2049 1 6 . 1 1 20 20 LEU N N 20 121.172 121.172 120.264 0.908 25543 2050 1 6 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.934 0.198 25543 2051 1 6 . 1 1 20 20 LEU C C 20 174.935 174.935 179.023 -4.088 25543 2052 1 6 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.152 -0.276 25543 2053 1 6 . 1 1 20 20 LEU CB C 20 41.670 41.670 40.982 0.688 25543 2054 1 6 . 1 1 20 20 LEU H H 20 8.102 8.102 8.230 -0.128 25543 2055 1 6 . 1 1 21 21 ALA N N 21 120.754 120.754 121.388 -0.634 25543 2056 1 6 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.915 0.172 25543 2057 1 6 . 1 1 21 21 ALA C C 21 177.689 177.689 180.026 -2.337 25543 2058 1 6 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.021 -0.351 25543 2059 1 6 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.092 -0.105 25543 2060 1 6 . 1 1 21 21 ALA H H 21 7.864 7.864 7.972 -0.108 25543 2061 1 6 . 1 1 22 22 LEU N N 22 119.357 119.357 118.660 0.697 25543 2062 1 6 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.042 0.135 25543 2063 1 6 . 1 1 22 22 LEU C C 22 175.842 175.842 178.740 -2.898 25543 2064 1 6 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.245 -1.188 25543 2065 1 6 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.939 0.024 25543 2066 1 6 . 1 1 22 22 LEU H H 22 7.901 7.901 8.347 -0.446 25543 2067 1 6 . 1 1 23 23 ARG N N 23 120.416 120.416 119.259 1.157 25543 2068 1 6 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.988 0.163 25543 2069 1 6 . 1 1 23 23 ARG C C 23 176.236 176.236 179.055 -2.819 25543 2070 1 6 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.779 -1.245 25543 2071 1 6 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.026 0.131 25543 2072 1 6 . 1 1 23 23 ARG H H 23 7.890 7.890 7.921 -0.031 25543 2073 1 6 . 1 1 24 24 ILE N N 24 121.088 121.088 119.701 1.387 25543 2074 1 6 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.713 0.164 25543 2075 1 6 . 1 1 24 24 ILE C C 24 174.946 174.946 177.663 -2.717 25543 2076 1 6 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.877 -1.263 25543 2077 1 6 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.487 0.728 25543 2078 1 6 . 1 1 24 24 ILE H H 24 8.254 8.254 8.506 -0.252 25543 2079 1 6 . 1 1 25 25 ALA N N 25 124.216 124.216 122.863 1.353 25543 2080 1 6 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.942 0.280 25543 2081 1 6 . 1 1 25 25 ALA C C 25 176.883 176.883 179.834 -2.951 25543 2082 1 6 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.500 -1.427 25543 2083 1 6 . 1 1 25 25 ALA CB C 25 18.477 18.477 17.985 0.492 25543 2084 1 6 . 1 1 25 25 ALA H H 25 8.053 8.053 8.149 -0.096 25543 2085 1 6 . 1 1 26 26 GLN N N 26 118.617 118.617 117.486 1.131 25543 2086 1 6 . 1 1 26 26 GLN HA H 26 4.203 4.203 3.945 0.258 25543 2087 1 6 . 1 1 26 26 GLN C C 26 174.564 174.564 178.724 -4.160 25543 2088 1 6 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.832 -1.613 25543 2089 1 6 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.669 0.199 25543 2090 1 6 . 1 1 26 26 GLN H H 26 8.269 8.269 8.349 -0.080 25543 2091 1 6 . 1 1 27 27 SER N N 27 116.340 116.340 116.258 0.082 25543 2092 1 6 . 1 1 27 27 SER HA H 27 4.350 4.350 4.136 0.214 25543 2093 1 6 . 1 1 27 27 SER C C 27 172.902 172.902 176.254 -3.352 25543 2094 1 6 . 1 1 27 27 SER CA C 27 59.941 59.941 61.844 -1.903 25543 2095 1 6 . 1 1 27 27 SER CB C 27 63.458 63.458 63.062 0.396 25543 2096 1 6 . 1 1 27 27 SER H H 27 8.195 8.195 8.271 -0.076 25543 2097 1 6 . 1 1 28 28 GLU N N 28 122.168 122.168 121.563 0.605 25543 2098 1 6 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.092 0.075 25543 2099 1 6 . 1 1 28 28 GLU C C 28 174.568 174.568 178.061 -3.493 25543 2100 1 6 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.859 -0.983 25543 2101 1 6 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.093 0.867 25543 2102 1 6 . 1 1 28 28 GLU H H 28 8.316 8.316 8.625 -0.309 25543 2103 1 6 . 1 1 29 29 ALA N N 29 122.950 122.950 121.950 1.000 25543 2104 1 6 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.239 -0.036 25543 2105 1 6 . 1 1 29 29 ALA C C 29 176.938 176.938 179.347 -2.409 25543 2106 1 6 . 1 1 29 29 ALA CA C 29 53.357 53.357 53.850 -0.493 25543 2107 1 6 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.218 -0.365 25543 2108 1 6 . 1 1 29 29 ALA H H 29 8.029 8.029 7.964 0.065 25543 2109 1 6 . 1 1 30 30 GLU N N 30 119.092 119.092 116.947 2.145 25543 2110 1 6 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.251 -0.097 25543 2111 1 6 . 1 1 30 30 GLU C C 30 174.531 174.531 177.165 -2.634 25543 2112 1 6 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.508 0.581 25543 2113 1 6 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.474 -0.533 25543 2114 1 6 . 1 1 30 30 GLU H H 30 8.104 8.104 7.654 0.450 25543 2115 1 6 . 1 1 31 31 LEU N N 31 122.322 122.322 120.022 2.300 25543 2116 1 6 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.000 0.288 25543 2117 1 6 . 1 1 31 31 LEU C C 31 176.006 176.006 176.605 -0.599 25543 2118 1 6 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.986 -0.288 25543 2119 1 6 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.012 2.106 25543 2120 1 6 . 1 1 31 31 LEU H H 31 8.016 8.016 8.440 -0.424 25543 2121 1 6 . 1 1 32 32 ILE N N 32 121.365 121.365 119.476 1.889 25543 2122 1 6 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.150 0.002 25543 2123 1 6 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.028 -0.683 25543 2124 1 6 . 1 1 32 32 ILE CB C 32 38.529 38.529 39.216 -0.687 25543 2125 1 6 . 1 1 32 32 ILE H H 32 8.050 8.050 8.291 -0.241 25543 2126 1 6 . 1 1 33 33 SER N N 33 120.203 120.203 118.291 1.912 25543 2127 1 6 . 1 1 33 33 SER HA H 33 4.409 4.409 4.377 0.032 25543 2128 1 6 . 1 1 33 33 SER CA C 33 58.468 58.468 58.435 0.033 25543 2129 1 6 . 1 1 33 33 SER CB C 33 64.021 64.021 61.806 2.215 25543 2130 1 6 . 1 1 33 33 SER H H 33 8.391 8.391 8.414 -0.023 25543 2131 1 6 . 1 1 34 34 ASP N N 34 123.136 123.136 123.298 -0.162 25543 2132 1 6 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.235 0.259 25543 2133 1 6 . 1 1 34 34 ASP C C 34 175.121 175.121 176.926 -1.805 25543 2134 1 6 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.182 -1.502 25543 2135 1 6 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.020 -0.342 25543 2136 1 6 . 1 1 34 34 ASP H H 34 8.629 8.629 8.572 0.057 25543 2137 1 6 . 1 1 35 35 GLU N N 35 121.638 121.638 120.199 1.439 25543 2138 1 6 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.941 0.167 25543 2139 1 6 . 1 1 35 35 GLU C C 35 174.886 174.886 178.042 -3.156 25543 2140 1 6 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.251 -0.666 25543 2141 1 6 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.453 0.080 25543 2142 1 6 . 1 1 35 35 GLU H H 35 8.579 8.579 8.424 0.155 25543 2143 1 6 . 1 1 36 36 ALA N N 36 123.946 123.946 122.125 1.821 25543 2144 1 6 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.030 0.199 25543 2145 1 6 . 1 1 36 36 ALA C C 36 177.012 177.012 179.935 -2.923 25543 2146 1 6 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.383 -1.575 25543 2147 1 6 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.115 0.430 25543 2148 1 6 . 1 1 36 36 ALA H H 36 8.235 8.235 8.527 -0.292 25543 2149 1 6 . 1 1 37 37 GLN N N 37 118.885 118.885 118.382 0.503 25543 2150 1 6 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.946 0.180 25543 2151 1 6 . 1 1 37 37 GLN C C 37 174.897 174.897 178.588 -3.691 25543 2152 1 6 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.320 -0.919 25543 2153 1 6 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.961 0.820 25543 2154 1 6 . 1 1 37 37 GLN H H 37 8.295 8.295 7.775 0.520 25543 2155 1 6 . 1 1 38 38 ALA N N 38 124.163 124.163 123.578 0.585 25543 2156 1 6 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.835 0.339 25543 2157 1 6 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.519 -1.423 25543 2158 1 6 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.213 0.243 25543 2159 1 6 . 1 1 38 38 ALA H H 38 8.217 8.217 8.683 -0.466 25543 2160 1 6 . 1 1 39 39 ASP N N 39 119.226 119.226 120.029 -0.803 25543 2161 1 6 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.334 0.142 25543 2162 1 6 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.869 -2.025 25543 2163 1 6 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.418 0.561 25543 2164 1 6 . 1 1 39 39 ASP H H 39 8.145 8.145 8.022 0.123 25543 2165 1 6 . 1 1 40 40 LEU N N 40 121.976 121.976 120.136 1.840 25543 2166 1 6 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.855 0.210 25543 2167 1 6 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.165 -1.035 25543 2168 1 6 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.600 0.362 25543 2169 1 6 . 1 1 40 40 LEU H H 40 8.018 8.018 8.428 -0.410 25543 2170 1 6 . 1 1 41 41 ALA N N 41 121.547 121.547 122.117 -0.570 25543 2171 1 6 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.023 0.077 25543 2172 1 6 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.171 -1.112 25543 2173 1 6 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.300 -0.104 25543 2174 1 6 . 1 1 41 41 ALA H H 41 8.076 8.076 8.392 -0.316 25543 2175 1 6 . 1 1 42 42 LEU N N 42 119.599 119.599 119.164 0.435 25543 2176 1 6 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.987 0.210 25543 2177 1 6 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.945 -1.543 25543 2178 1 6 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.692 0.334 25543 2179 1 6 . 1 1 42 42 LEU H H 42 7.832 7.832 8.521 -0.689 25543 2180 1 6 . 1 1 43 43 ARG N N 43 120.126 120.126 117.666 2.460 25543 2181 1 6 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.082 0.039 25543 2182 1 6 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.623 -0.945 25543 2183 1 6 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.779 -0.585 25543 2184 1 6 . 1 1 43 43 ARG H H 43 8.047 8.047 8.197 -0.150 25543 2185 1 6 . 1 1 44 44 ARG N N 44 120.206 120.206 117.794 2.412 25543 2186 1 6 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.196 0.043 25543 2187 1 6 . 1 1 44 44 ARG C C 44 173.165 173.165 177.173 -4.008 25543 2188 1 6 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.325 -0.214 25543 2189 1 6 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.286 0.306 25543 2190 1 6 . 1 1 44 44 ARG H H 44 8.206 8.206 8.178 0.028 25543 2191 1 6 . 1 1 45 45 SER N N 45 116.312 116.312 116.162 0.150 25543 2192 1 6 . 1 1 45 45 SER HA H 45 4.369 4.369 4.295 0.074 25543 2193 1 6 . 1 1 45 45 SER C C 45 170.903 170.903 175.774 -4.871 25543 2194 1 6 . 1 1 45 45 SER CA C 45 59.151 59.151 59.404 -0.253 25543 2195 1 6 . 1 1 45 45 SER CB C 45 63.539 63.539 63.758 -0.219 25543 2196 1 6 . 1 1 45 45 SER H H 45 8.171 8.171 8.068 0.103 25543 2197 1 6 . 1 1 46 46 LEU N N 46 123.524 123.524 119.752 3.772 25543 2198 1 6 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.135 0.155 25543 2199 1 6 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.577 -0.858 25543 2200 1 6 . 1 1 46 46 LEU CB C 46 42.071 42.071 40.916 1.155 25543 2201 1 6 . 1 1 46 46 LEU H H 46 8.168 8.168 8.354 -0.186 25543 2202 1 6 . 1 1 47 47 ASP N N 47 119.853 119.853 117.779 2.074 25543 2203 1 6 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.506 0.031 25543 2204 1 6 . 1 1 47 47 ASP C C 47 173.143 173.143 176.950 -3.807 25543 2205 1 6 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.776 -0.037 25543 2206 1 6 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.485 0.452 25543 2207 1 6 . 1 1 47 47 ASP H H 47 8.154 8.154 8.288 -0.134 25543 2208 1 6 . 1 1 48 48 SER N N 48 114.867 114.867 114.777 0.090 25543 2209 1 6 . 1 1 48 48 SER HA H 48 4.340 4.340 4.486 -0.146 25543 2210 1 6 . 1 1 48 48 SER C C 48 170.816 170.816 174.658 -3.842 25543 2211 1 6 . 1 1 48 48 SER CA C 48 58.345 58.345 58.414 -0.069 25543 2212 1 6 . 1 1 48 48 SER CB C 48 63.835 63.835 63.184 0.651 25543 2213 1 6 . 1 1 48 48 SER H H 48 7.960 7.960 7.489 0.471 25543 2214 1 6 . 1 1 49 49 TYR N N 49 123.355 123.355 122.498 0.857 25543 2215 1 6 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.465 0.270 25543 2216 1 6 . 1 1 49 49 TYR CA C 49 56.141 56.141 56.274 -0.133 25543 2217 1 6 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.722 0.422 25543 2218 1 6 . 1 1 49 49 TYR H H 49 8.102 8.102 7.687 0.415 25543 2219 1 6 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.568 -0.141 25543 2220 1 6 . 1 1 50 50 PRO C C 50 173.908 173.908 175.612 -1.704 25543 2221 1 6 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.688 0.357 25543 2222 1 6 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.628 -0.736 25543 2223 1 6 . 1 1 51 51 VAL N N 51 120.746 120.746 115.204 5.542 25543 2224 1 6 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.475 -0.387 25543 2225 1 6 . 1 1 51 51 VAL C C 51 173.504 173.504 175.480 -1.976 25543 2226 1 6 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.548 0.754 25543 2227 1 6 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.890 -0.024 25543 2228 1 6 . 1 1 51 51 VAL H H 51 8.270 8.270 7.945 0.325 25543 2229 1 6 . 1 1 52 52 SER N N 52 119.837 119.837 121.024 -1.187 25543 2230 1 6 . 1 1 52 52 SER HA H 52 4.429 4.429 4.620 -0.191 25543 2231 1 6 . 1 1 52 52 SER C C 52 171.799 171.799 174.196 -2.397 25543 2232 1 6 . 1 1 52 52 SER CA C 52 58.088 58.088 58.084 0.004 25543 2233 1 6 . 1 1 52 52 SER CB C 52 63.948 63.948 63.711 0.237 25543 2234 1 6 . 1 1 52 52 SER H H 52 8.493 8.493 8.539 -0.046 25543 2235 1 6 . 1 1 53 53 LYS N N 53 123.948 123.948 125.656 -1.708 25543 2236 1 6 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.525 -0.254 25543 2237 1 6 . 1 1 53 53 LYS C C 53 173.547 173.547 174.755 -1.208 25543 2238 1 6 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.269 0.231 25543 2239 1 6 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.498 -0.532 25543 2240 1 6 . 1 1 53 53 LYS H H 53 8.531 8.531 8.654 -0.123 25543 2241 1 6 . 1 1 54 54 ASN N N 54 119.853 119.853 120.100 -0.247 25543 2242 1 6 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.799 -0.100 25543 2243 1 6 . 1 1 54 54 ASN C C 54 172.115 172.115 173.621 -1.506 25543 2244 1 6 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.830 -0.618 25543 2245 1 6 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.575 0.226 25543 2246 1 6 . 1 1 54 54 ASN H H 54 8.532 8.532 8.618 -0.086 25543 2247 1 6 . 1 1 55 55 ASP N N 55 121.271 121.271 121.399 -0.128 25543 2248 1 6 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.699 -0.125 25543 2249 1 6 . 1 1 55 55 ASP C C 55 174.105 174.105 177.206 -3.101 25543 2250 1 6 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.464 -0.305 25543 2251 1 6 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.105 -0.065 25543 2252 1 6 . 1 1 55 55 ASP H H 55 8.297 8.297 8.130 0.167 25543 2253 1 6 . 1 1 56 56 GLY N N 56 109.368 109.368 108.943 0.425 25543 2254 1 6 . 1 1 56 56 GLY C C 56 171.941 171.941 173.813 -1.872 25543 2255 1 6 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.040 0.471 25543 2256 1 6 . 1 1 56 56 GLY H H 56 8.497 8.497 8.315 0.182 25543 2257 1 6 . 1 1 57 57 THR N N 57 113.628 113.628 115.175 -1.547 25543 2258 1 6 . 1 1 57 57 THR HA H 57 4.275 4.275 4.519 -0.244 25543 2259 1 6 . 1 1 57 57 THR C C 57 171.744 171.744 173.917 -2.173 25543 2260 1 6 . 1 1 57 57 THR CA C 57 62.240 62.240 61.583 0.657 25543 2261 1 6 . 1 1 57 57 THR CB C 57 69.941 69.941 69.083 0.858 25543 2262 1 6 . 1 1 57 57 THR H H 57 8.156 8.156 7.784 0.372 25543 2263 1 6 . 1 1 58 58 ARG N N 58 124.521 124.521 127.062 -2.541 25543 2264 1 6 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.906 -0.286 25543 2265 1 6 . 1 1 58 58 ARG C C 58 171.187 171.187 174.720 -3.533 25543 2266 1 6 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.206 -0.237 25543 2267 1 6 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.941 -0.795 25543 2268 1 6 . 1 1 58 58 ARG H H 58 8.322 8.322 8.517 -0.195 25543 2269 1 6 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.646 -0.264 25543 2270 1 6 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.759 0.144 25543 2271 1 6 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.566 -0.373 25543 2272 1 6 . 1 1 60 60 LYS N N 60 122.142 122.142 120.454 1.688 25543 2273 1 6 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.424 -0.221 25543 2274 1 6 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.567 -0.239 25543 2275 1 6 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.218 -0.413 25543 2276 1 6 . 1 1 60 60 LYS H H 60 8.513 8.513 8.357 0.156 25543 2277 1 6 . 1 1 61 61 MET N N 61 122.695 122.695 122.621 0.074 25543 2278 1 6 . 1 1 61 61 MET HA H 61 4.598 4.598 4.652 -0.054 25543 2279 1 6 . 1 1 61 61 MET C C 61 173.077 173.077 175.461 -2.384 25543 2280 1 6 . 1 1 61 61 MET CA C 61 55.296 55.296 55.165 0.131 25543 2281 1 6 . 1 1 61 61 MET CB C 61 34.491 34.491 32.865 1.626 25543 2282 1 6 . 1 1 61 61 MET H H 61 8.446 8.446 7.904 0.542 25543 2283 1 6 . 1 1 62 62 THR N N 62 115.170 115.170 114.309 0.861 25543 2284 1 6 . 1 1 62 62 THR HA H 62 4.620 4.620 4.697 -0.077 25543 2285 1 6 . 1 1 62 62 THR C C 62 170.881 170.881 173.898 -3.017 25543 2286 1 6 . 1 1 62 62 THR CA C 62 59.858 59.858 58.953 0.905 25543 2287 1 6 . 1 1 62 62 THR CB C 62 68.752 68.752 69.744 -0.992 25543 2288 1 6 . 1 1 62 62 THR H H 62 8.437 8.437 7.885 0.552 25543 2289 1 6 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.093 0.181 25543 2290 1 6 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.917 -0.543 25543 2291 1 6 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.760 0.003 25543 2292 1 6 . 1 1 64 64 GLU N N 64 118.596 118.596 117.019 1.577 25543 2293 1 6 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.979 0.084 25543 2294 1 6 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.452 0.161 25543 2295 1 6 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.306 -0.289 25543 2296 1 6 . 1 1 64 64 GLU H H 64 8.813 8.813 7.965 0.848 25543 2297 1 6 . 1 1 65 65 GLN N N 65 121.250 121.250 118.569 2.681 25543 2298 1 6 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.021 0.025 25543 2299 1 6 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.825 -0.709 25543 2300 1 6 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.416 0.295 25543 2301 1 6 . 1 1 65 65 GLN H H 65 7.964 7.964 8.287 -0.323 25543 2302 1 6 . 1 1 66 66 MET N N 66 120.082 120.082 118.515 1.567 25543 2303 1 6 . 1 1 66 66 MET HA H 66 4.156 4.156 4.135 0.021 25543 2304 1 6 . 1 1 66 66 MET CA C 66 58.241 58.241 59.178 -0.937 25543 2305 1 6 . 1 1 66 66 MET CB C 66 32.558 32.558 32.342 0.216 25543 2306 1 6 . 1 1 66 66 MET H H 66 8.429 8.429 7.672 0.757 25543 2307 1 6 . 1 1 67 67 ALA N N 67 122.222 122.222 122.122 0.100 25543 2308 1 6 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.920 0.237 25543 2309 1 6 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.437 -1.166 25543 2310 1 6 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.867 0.412 25543 2311 1 6 . 1 1 67 67 ALA H H 67 8.106 8.106 8.365 -0.259 25543 2312 1 6 . 1 1 68 68 LYS N N 68 120.031 120.031 118.991 1.040 25543 2313 1 6 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.910 0.217 25543 2314 1 6 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.896 -1.523 25543 2315 1 6 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.393 0.211 25543 2316 1 6 . 1 1 68 68 LYS H H 68 7.815 7.815 8.388 -0.573 25543 2317 1 6 . 1 1 69 69 GLU N N 69 119.896 119.896 119.103 0.793 25543 2318 1 6 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.001 0.122 25543 2319 1 6 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.559 -1.010 25543 2320 1 6 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.611 -0.201 25543 2321 1 6 . 1 1 69 69 GLU H H 69 8.149 8.149 8.077 0.072 25543 2322 1 6 . 1 1 70 70 MET N N 70 119.261 119.261 119.367 -0.106 25543 2323 1 6 . 1 1 70 70 MET HA H 70 4.434 4.434 4.002 0.432 25543 2324 1 6 . 1 1 70 70 MET C C 70 174.607 174.607 178.659 -4.052 25543 2325 1 6 . 1 1 70 70 MET CA C 70 56.884 56.884 59.687 -2.803 25543 2326 1 6 . 1 1 70 70 MET CB C 70 32.159 32.159 32.580 -0.421 25543 2327 1 6 . 1 1 70 70 MET H H 70 8.215 8.215 8.702 -0.487 25543 2328 1 6 . 1 1 71 71 SER N N 71 115.618 115.618 114.995 0.623 25543 2329 1 6 . 1 1 71 71 SER HA H 71 4.265 4.265 4.121 0.144 25543 2330 1 6 . 1 1 71 71 SER CA C 71 60.463 60.463 61.704 -1.241 25543 2331 1 6 . 1 1 71 71 SER CB C 71 63.135 63.135 62.325 0.810 25543 2332 1 6 . 1 1 71 71 SER H H 71 8.161 8.161 8.507 -0.346 25543 2333 1 6 . 1 1 72 72 GLU N N 72 122.328 122.328 122.063 0.265 25543 2334 1 6 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.209 -0.096 25543 2335 1 6 . 1 1 72 72 GLU CA C 72 58.116 58.116 59.122 -1.006 25543 2336 1 6 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.366 0.061 25543 2337 1 6 . 1 1 72 72 GLU H H 72 8.247 8.247 8.413 -0.166 25543 2338 1 6 . 1 1 73 73 PHE N N 73 120.564 120.564 119.807 0.757 25543 2339 1 6 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.316 0.084 25543 2340 1 6 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.866 -1.369 25543 2341 1 6 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.805 -0.623 25543 2342 1 6 . 1 1 73 73 PHE H H 73 8.126 8.126 8.010 0.116 25543 2343 1 6 . 1 1 74 74 LEU N N 74 120.761 120.761 117.636 3.125 25543 2344 1 6 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.218 -0.067 25543 2345 1 6 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.811 -0.921 25543 2346 1 6 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.584 -0.478 25543 2347 1 6 . 1 1 74 74 LEU H H 74 8.127 8.127 8.541 -0.414 25543 2348 1 6 . 1 1 75 75 SER N N 75 115.178 115.178 110.738 4.440 25543 2349 1 6 . 1 1 75 75 SER HA H 75 4.357 4.357 4.504 -0.147 25543 2350 1 6 . 1 1 75 75 SER CA C 75 58.921 58.921 56.771 2.150 25543 2351 1 6 . 1 1 75 75 SER CB C 75 63.534 63.534 64.739 -1.204 25543 2352 1 6 . 1 1 75 75 SER H H 75 8.003 8.003 7.876 0.127 25543 2353 1 6 . 1 1 76 76 ARG N N 76 122.367 122.367 125.399 -3.032 25543 2354 1 6 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.370 -0.056 25543 2355 1 6 . 1 1 76 76 ARG CA C 76 56.406 56.406 57.958 -1.552 25543 2356 1 6 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.754 0.078 25543 2357 1 6 . 1 1 76 76 ARG H H 76 7.985 7.985 8.641 -0.656 25543 2358 1 6 . 1 1 77 77 GLY N N 77 109.723 109.723 106.673 3.050 25543 2359 1 6 . 1 1 77 77 GLY CA C 77 44.400 44.400 43.373 1.028 25543 2360 1 6 . 1 1 77 77 GLY H H 77 8.151 8.151 8.393 -0.242 25543 2361 1 6 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.371 -0.006 25543 2362 1 6 . 1 1 78 78 PRO C C 78 173.976 173.976 175.770 -1.794 25543 2363 1 6 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.432 -0.206 25543 2364 1 6 . 1 1 78 78 PRO CB C 78 32.028 32.028 30.686 1.342 25543 2365 1 7 . 1 1 7 7 GLN N N 7 120.283 120.283 121.269 -0.986 25543 2366 1 7 . 1 1 7 7 GLN HA H 7 4.135 4.135 4.005 0.130 25543 2367 1 7 . 1 1 7 7 GLN C C 7 174.902 174.902 178.004 -3.102 25543 2368 1 7 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.876 -1.558 25543 2369 1 7 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.835 0.865 25543 2370 1 7 . 1 1 7 7 GLN H H 7 8.340 8.340 8.765 -0.425 25543 2371 1 7 . 1 1 8 8 GLN N N 8 120.710 120.710 117.507 3.203 25543 2372 1 7 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.070 -0.023 25543 2373 1 7 . 1 1 8 8 GLN C C 8 174.564 174.564 178.248 -3.684 25543 2374 1 7 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.686 -0.585 25543 2375 1 7 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.722 0.772 25543 2376 1 7 . 1 1 8 8 GLN H H 8 8.434 8.434 8.773 -0.339 25543 2377 1 7 . 1 1 9 9 ALA N N 9 122.740 122.740 122.876 -0.136 25543 2378 1 7 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.157 0.036 25543 2379 1 7 . 1 1 9 9 ALA C C 9 177.504 177.504 179.651 -2.147 25543 2380 1 7 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.877 -0.295 25543 2381 1 7 . 1 1 9 9 ALA CB C 9 18.131 18.131 17.916 0.215 25543 2382 1 7 . 1 1 9 9 ALA H H 9 8.144 8.144 7.207 0.937 25543 2383 1 7 . 1 1 10 10 VAL N N 10 120.344 120.344 119.598 0.746 25543 2384 1 7 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.688 0.107 25543 2385 1 7 . 1 1 10 10 VAL C C 10 175.143 175.143 177.866 -2.723 25543 2386 1 7 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.377 0.049 25543 2387 1 7 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.386 0.683 25543 2388 1 7 . 1 1 10 10 VAL H H 10 7.854 7.854 7.993 -0.139 25543 2389 1 7 . 1 1 11 11 LEU N N 11 121.896 121.896 120.049 1.847 25543 2390 1 7 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.813 0.322 25543 2391 1 7 . 1 1 11 11 LEU C C 11 177.143 177.143 178.838 -1.695 25543 2392 1 7 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.585 -0.895 25543 2393 1 7 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.260 0.383 25543 2394 1 7 . 1 1 11 11 LEU H H 11 7.936 7.936 8.819 -0.883 25543 2395 1 7 . 1 1 12 12 GLU N N 12 120.197 120.197 117.683 2.514 25543 2396 1 7 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.860 0.280 25543 2397 1 7 . 1 1 12 12 GLU C C 12 175.602 175.602 179.198 -3.596 25543 2398 1 7 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.652 -1.146 25543 2399 1 7 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.081 0.176 25543 2400 1 7 . 1 1 12 12 GLU H H 12 8.310 8.310 7.954 0.356 25543 2401 1 7 . 1 1 13 13 GLN N N 13 120.843 120.843 119.212 1.631 25543 2402 1 7 . 1 1 13 13 GLN HA H 13 3.918 3.918 3.989 -0.071 25543 2403 1 7 . 1 1 13 13 GLN C C 13 174.656 174.656 178.521 -3.865 25543 2404 1 7 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.786 -0.365 25543 2405 1 7 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.254 -0.150 25543 2406 1 7 . 1 1 13 13 GLN H H 13 8.073 8.073 8.391 -0.318 25543 2407 1 7 . 1 1 14 14 GLU N N 14 119.589 119.589 118.918 0.671 25543 2408 1 7 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.037 0.061 25543 2409 1 7 . 1 1 14 14 GLU C C 14 176.412 176.412 179.220 -2.808 25543 2410 1 7 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.291 -0.015 25543 2411 1 7 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.247 0.072 25543 2412 1 7 . 1 1 14 14 GLU H H 14 8.340 8.340 8.074 0.266 25543 2413 1 7 . 1 1 15 15 ARG N N 15 120.353 120.353 119.977 0.376 25543 2414 1 7 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.937 0.043 25543 2415 1 7 . 1 1 15 15 ARG C C 15 175.896 175.896 178.932 -3.036 25543 2416 1 7 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.853 -0.350 25543 2417 1 7 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.089 -0.255 25543 2418 1 7 . 1 1 15 15 ARG H H 15 7.995 7.995 8.322 -0.327 25543 2419 1 7 . 1 1 16 16 ARG N N 16 120.490 120.490 118.598 1.892 25543 2420 1 7 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.140 -0.106 25543 2421 1 7 . 1 1 16 16 ARG C C 16 176.476 176.476 178.630 -2.154 25543 2422 1 7 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.568 -0.200 25543 2423 1 7 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.024 -0.192 25543 2424 1 7 . 1 1 16 16 ARG H H 16 8.169 8.169 8.312 -0.143 25543 2425 1 7 . 1 1 17 17 ASP N N 17 120.965 120.965 119.294 1.671 25543 2426 1 7 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.309 0.130 25543 2427 1 7 . 1 1 17 17 ASP C C 17 176.291 176.291 178.809 -2.518 25543 2428 1 7 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.270 -0.018 25543 2429 1 7 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.633 -0.724 25543 2430 1 7 . 1 1 17 17 ASP H H 17 8.684 8.684 8.311 0.373 25543 2431 1 7 . 1 1 18 18 ARG N N 18 122.128 122.128 118.838 3.290 25543 2432 1 7 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.014 0.117 25543 2433 1 7 . 1 1 18 18 ARG C C 18 175.897 175.897 178.912 -3.015 25543 2434 1 7 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.529 -0.376 25543 2435 1 7 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.383 -0.255 25543 2436 1 7 . 1 1 18 18 ARG H H 18 8.183 8.183 8.250 -0.067 25543 2437 1 7 . 1 1 19 19 GLU N N 19 120.044 120.044 120.453 -0.409 25543 2438 1 7 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.968 0.049 25543 2439 1 7 . 1 1 19 19 GLU C C 19 172.902 172.902 179.234 -6.332 25543 2440 1 7 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.594 -0.405 25543 2441 1 7 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.527 -0.223 25543 2442 1 7 . 1 1 19 19 GLU H H 19 8.207 8.207 8.265 -0.058 25543 2443 1 7 . 1 1 20 20 LEU N N 20 121.172 121.172 119.969 1.203 25543 2444 1 7 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.950 0.182 25543 2445 1 7 . 1 1 20 20 LEU C C 20 174.935 174.935 178.908 -3.973 25543 2446 1 7 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.237 -0.361 25543 2447 1 7 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.129 0.541 25543 2448 1 7 . 1 1 20 20 LEU H H 20 8.102 8.102 8.620 -0.518 25543 2449 1 7 . 1 1 21 21 ALA N N 21 120.754 120.754 121.443 -0.689 25543 2450 1 7 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.934 0.153 25543 2451 1 7 . 1 1 21 21 ALA C C 21 177.689 177.689 180.043 -2.354 25543 2452 1 7 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.023 -0.353 25543 2453 1 7 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.048 -0.061 25543 2454 1 7 . 1 1 21 21 ALA H H 21 7.864 7.864 7.835 0.029 25543 2455 1 7 . 1 1 22 22 LEU N N 22 119.357 119.357 119.316 0.041 25543 2456 1 7 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.018 0.159 25543 2457 1 7 . 1 1 22 22 LEU C C 22 175.842 175.842 178.734 -2.892 25543 2458 1 7 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.816 -0.759 25543 2459 1 7 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.835 0.128 25543 2460 1 7 . 1 1 22 22 LEU H H 22 7.901 7.901 8.056 -0.155 25543 2461 1 7 . 1 1 23 23 ARG N N 23 120.416 120.416 119.744 0.672 25543 2462 1 7 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.935 0.216 25543 2463 1 7 . 1 1 23 23 ARG C C 23 176.236 176.236 179.094 -2.858 25543 2464 1 7 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.999 -1.465 25543 2465 1 7 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.145 0.012 25543 2466 1 7 . 1 1 23 23 ARG H H 23 7.890 7.890 8.019 -0.129 25543 2467 1 7 . 1 1 24 24 ILE N N 24 121.088 121.088 119.217 1.871 25543 2468 1 7 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.646 0.231 25543 2469 1 7 . 1 1 24 24 ILE C C 24 174.946 174.946 177.616 -2.670 25543 2470 1 7 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.870 -1.256 25543 2471 1 7 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.405 0.810 25543 2472 1 7 . 1 1 24 24 ILE H H 24 8.254 8.254 8.327 -0.073 25543 2473 1 7 . 1 1 25 25 ALA N N 25 124.216 124.216 122.800 1.416 25543 2474 1 7 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.875 0.347 25543 2475 1 7 . 1 1 25 25 ALA C C 25 176.883 176.883 179.328 -2.445 25543 2476 1 7 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.496 -1.423 25543 2477 1 7 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.111 0.366 25543 2478 1 7 . 1 1 25 25 ALA H H 25 8.053 8.053 8.112 -0.059 25543 2479 1 7 . 1 1 26 26 GLN N N 26 118.617 118.617 117.031 1.586 25543 2480 1 7 . 1 1 26 26 GLN HA H 26 4.203 4.203 3.994 0.209 25543 2481 1 7 . 1 1 26 26 GLN C C 26 174.564 174.564 178.168 -3.604 25543 2482 1 7 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.307 -1.088 25543 2483 1 7 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.332 0.537 25543 2484 1 7 . 1 1 26 26 GLN H H 26 8.269 8.269 8.394 -0.125 25543 2485 1 7 . 1 1 27 27 SER N N 27 116.340 116.340 117.282 -0.942 25543 2486 1 7 . 1 1 27 27 SER HA H 27 4.350 4.350 4.144 0.206 25543 2487 1 7 . 1 1 27 27 SER C C 27 172.902 172.902 176.676 -3.774 25543 2488 1 7 . 1 1 27 27 SER CA C 27 59.941 59.941 61.648 -1.707 25543 2489 1 7 . 1 1 27 27 SER CB C 27 63.458 63.458 62.905 0.553 25543 2490 1 7 . 1 1 27 27 SER H H 27 8.195 8.195 8.168 0.027 25543 2491 1 7 . 1 1 28 28 GLU N N 28 122.168 122.168 120.603 1.565 25543 2492 1 7 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.044 0.123 25543 2493 1 7 . 1 1 28 28 GLU C C 28 174.568 174.568 178.257 -3.689 25543 2494 1 7 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.734 -0.858 25543 2495 1 7 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.669 0.291 25543 2496 1 7 . 1 1 28 28 GLU H H 28 8.316 8.316 8.243 0.073 25543 2497 1 7 . 1 1 29 29 ALA N N 29 122.950 122.950 121.793 1.157 25543 2498 1 7 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.181 0.022 25543 2499 1 7 . 1 1 29 29 ALA C C 29 176.938 176.938 179.044 -2.106 25543 2500 1 7 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.282 -0.925 25543 2501 1 7 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.095 -0.242 25543 2502 1 7 . 1 1 29 29 ALA H H 29 8.029 8.029 8.084 -0.055 25543 2503 1 7 . 1 1 30 30 GLU N N 30 119.092 119.092 115.896 3.196 25543 2504 1 7 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.296 -0.142 25543 2505 1 7 . 1 1 30 30 GLU C C 30 174.531 174.531 176.855 -2.324 25543 2506 1 7 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.086 1.003 25543 2507 1 7 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.532 -0.591 25543 2508 1 7 . 1 1 30 30 GLU H H 30 8.104 8.104 7.666 0.438 25543 2509 1 7 . 1 1 31 31 LEU N N 31 122.322 122.322 120.027 2.295 25543 2510 1 7 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.973 0.315 25543 2511 1 7 . 1 1 31 31 LEU C C 31 176.006 176.006 176.350 -0.344 25543 2512 1 7 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.013 -0.315 25543 2513 1 7 . 1 1 31 31 LEU CB C 31 42.118 42.118 39.862 2.256 25543 2514 1 7 . 1 1 31 31 LEU H H 31 8.016 8.016 8.185 -0.169 25543 2515 1 7 . 1 1 32 32 ILE N N 32 121.365 121.365 118.759 2.606 25543 2516 1 7 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.184 -0.032 25543 2517 1 7 . 1 1 32 32 ILE CA C 32 61.344 61.344 61.335 0.009 25543 2518 1 7 . 1 1 32 32 ILE CB C 32 38.529 38.529 39.609 -1.081 25543 2519 1 7 . 1 1 32 32 ILE H H 32 8.050 8.050 7.629 0.421 25543 2520 1 7 . 1 1 33 33 SER N N 33 120.203 120.203 116.103 4.100 25543 2521 1 7 . 1 1 33 33 SER HA H 33 4.409 4.409 4.098 0.311 25543 2522 1 7 . 1 1 33 33 SER CA C 33 58.468 58.468 58.894 -0.426 25543 2523 1 7 . 1 1 33 33 SER CB C 33 64.021 64.021 62.271 1.750 25543 2524 1 7 . 1 1 33 33 SER H H 33 8.391 8.391 8.386 0.005 25543 2525 1 7 . 1 1 34 34 ASP N N 34 123.136 123.136 120.402 2.734 25543 2526 1 7 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.192 0.302 25543 2527 1 7 . 1 1 34 34 ASP C C 34 175.121 175.121 177.640 -2.519 25543 2528 1 7 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.627 -0.947 25543 2529 1 7 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.849 -0.171 25543 2530 1 7 . 1 1 34 34 ASP H H 34 8.629 8.629 8.321 0.308 25543 2531 1 7 . 1 1 35 35 GLU N N 35 121.638 121.638 120.178 1.460 25543 2532 1 7 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.844 0.264 25543 2533 1 7 . 1 1 35 35 GLU C C 35 174.886 174.886 178.035 -3.149 25543 2534 1 7 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.959 -1.374 25543 2535 1 7 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.577 -0.044 25543 2536 1 7 . 1 1 35 35 GLU H H 35 8.579 8.579 8.395 0.184 25543 2537 1 7 . 1 1 36 36 ALA N N 36 123.946 123.946 121.788 2.158 25543 2538 1 7 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.944 0.285 25543 2539 1 7 . 1 1 36 36 ALA C C 36 177.012 177.012 180.072 -3.060 25543 2540 1 7 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.294 -1.486 25543 2541 1 7 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.882 0.663 25543 2542 1 7 . 1 1 36 36 ALA H H 36 8.235 8.235 7.857 0.378 25543 2543 1 7 . 1 1 37 37 GLN N N 37 118.885 118.885 117.954 0.931 25543 2544 1 7 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.917 0.209 25543 2545 1 7 . 1 1 37 37 GLN C C 37 174.897 174.897 178.648 -3.751 25543 2546 1 7 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.392 -0.991 25543 2547 1 7 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.973 0.808 25543 2548 1 7 . 1 1 37 37 GLN H H 37 8.295 8.295 7.720 0.575 25543 2549 1 7 . 1 1 38 38 ALA N N 38 124.163 124.163 122.977 1.186 25543 2550 1 7 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.924 0.250 25543 2551 1 7 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.228 -1.132 25543 2552 1 7 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.213 0.243 25543 2553 1 7 . 1 1 38 38 ALA H H 38 8.217 8.217 8.410 -0.193 25543 2554 1 7 . 1 1 39 39 ASP N N 39 119.226 119.226 120.177 -0.951 25543 2555 1 7 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.291 0.185 25543 2556 1 7 . 1 1 39 39 ASP CA C 39 55.844 55.844 58.236 -2.392 25543 2557 1 7 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.457 0.522 25543 2558 1 7 . 1 1 39 39 ASP H H 39 8.145 8.145 8.208 -0.063 25543 2559 1 7 . 1 1 40 40 LEU N N 40 121.976 121.976 119.851 2.125 25543 2560 1 7 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.866 0.199 25543 2561 1 7 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.955 -0.825 25543 2562 1 7 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.371 0.591 25543 2563 1 7 . 1 1 40 40 LEU H H 40 8.018 8.018 8.240 -0.222 25543 2564 1 7 . 1 1 41 41 ALA N N 41 121.547 121.547 122.418 -0.871 25543 2565 1 7 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.948 0.152 25543 2566 1 7 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.142 -1.083 25543 2567 1 7 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.158 0.038 25543 2568 1 7 . 1 1 41 41 ALA H H 41 8.076 8.076 7.985 0.091 25543 2569 1 7 . 1 1 42 42 LEU N N 42 119.599 119.599 118.068 1.531 25543 2570 1 7 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.842 0.355 25543 2571 1 7 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.744 -1.342 25543 2572 1 7 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.524 0.502 25543 2573 1 7 . 1 1 42 42 LEU H H 42 7.832 7.832 8.200 -0.368 25543 2574 1 7 . 1 1 43 43 ARG N N 43 120.126 120.126 116.928 3.198 25543 2575 1 7 . 1 1 43 43 ARG HA H 43 4.121 4.121 3.980 0.141 25543 2576 1 7 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.442 -0.764 25543 2577 1 7 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.595 -0.401 25543 2578 1 7 . 1 1 43 43 ARG H H 43 8.047 8.047 7.929 0.118 25543 2579 1 7 . 1 1 44 44 ARG N N 44 120.206 120.206 117.579 2.627 25543 2580 1 7 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.118 0.121 25543 2581 1 7 . 1 1 44 44 ARG C C 44 173.165 173.165 176.757 -3.592 25543 2582 1 7 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.834 -0.723 25543 2583 1 7 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.346 0.246 25543 2584 1 7 . 1 1 44 44 ARG H H 44 8.206 8.206 8.160 0.046 25543 2585 1 7 . 1 1 45 45 SER N N 45 116.312 116.312 114.498 1.814 25543 2586 1 7 . 1 1 45 45 SER HA H 45 4.369 4.369 4.325 0.044 25543 2587 1 7 . 1 1 45 45 SER C C 45 170.903 170.903 175.538 -4.635 25543 2588 1 7 . 1 1 45 45 SER CA C 45 59.151 59.151 58.211 0.940 25543 2589 1 7 . 1 1 45 45 SER CB C 45 63.539 63.539 63.673 -0.134 25543 2590 1 7 . 1 1 45 45 SER H H 45 8.171 8.171 7.528 0.643 25543 2591 1 7 . 1 1 46 46 LEU N N 46 123.524 123.524 128.590 -5.066 25543 2592 1 7 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.079 0.211 25543 2593 1 7 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.928 -1.209 25543 2594 1 7 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.373 -0.303 25543 2595 1 7 . 1 1 46 46 LEU H H 46 8.168 8.168 8.866 -0.698 25543 2596 1 7 . 1 1 47 47 ASP N N 47 119.853 119.853 116.800 3.053 25543 2597 1 7 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.450 0.087 25543 2598 1 7 . 1 1 47 47 ASP C C 47 173.143 173.143 176.342 -3.199 25543 2599 1 7 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.194 -0.455 25543 2600 1 7 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.914 1.023 25543 2601 1 7 . 1 1 47 47 ASP H H 47 8.154 8.154 7.923 0.231 25543 2602 1 7 . 1 1 48 48 SER N N 48 114.867 114.867 115.571 -0.704 25543 2603 1 7 . 1 1 48 48 SER HA H 48 4.340 4.340 4.189 0.151 25543 2604 1 7 . 1 1 48 48 SER C C 48 170.816 170.816 174.834 -4.018 25543 2605 1 7 . 1 1 48 48 SER CA C 48 58.345 58.345 59.858 -1.513 25543 2606 1 7 . 1 1 48 48 SER CB C 48 63.835 63.835 63.337 0.498 25543 2607 1 7 . 1 1 48 48 SER H H 48 7.960 7.960 7.218 0.742 25543 2608 1 7 . 1 1 49 49 TYR N N 49 123.355 123.355 122.568 0.787 25543 2609 1 7 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.751 -0.016 25543 2610 1 7 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.621 1.520 25543 2611 1 7 . 1 1 49 49 TYR CB C 49 38.144 38.144 36.881 1.263 25543 2612 1 7 . 1 1 49 49 TYR H H 49 8.102 8.102 6.907 1.195 25543 2613 1 7 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.454 -0.027 25543 2614 1 7 . 1 1 50 50 PRO C C 50 173.908 173.908 176.479 -2.571 25543 2615 1 7 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.571 0.474 25543 2616 1 7 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.545 -0.653 25543 2617 1 7 . 1 1 51 51 VAL N N 51 120.746 120.746 116.218 4.528 25543 2618 1 7 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.378 -0.290 25543 2619 1 7 . 1 1 51 51 VAL C C 51 173.504 173.504 175.989 -2.485 25543 2620 1 7 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.947 0.355 25543 2621 1 7 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.476 0.390 25543 2622 1 7 . 1 1 51 51 VAL H H 51 8.270 8.270 7.947 0.323 25543 2623 1 7 . 1 1 52 52 SER N N 52 119.837 119.837 118.904 0.933 25543 2624 1 7 . 1 1 52 52 SER HA H 52 4.429 4.429 4.557 -0.128 25543 2625 1 7 . 1 1 52 52 SER C C 52 171.799 171.799 174.057 -2.258 25543 2626 1 7 . 1 1 52 52 SER CA C 52 58.088 58.088 58.375 -0.287 25543 2627 1 7 . 1 1 52 52 SER CB C 52 63.948 63.948 63.852 0.096 25543 2628 1 7 . 1 1 52 52 SER H H 52 8.493 8.493 8.418 0.075 25543 2629 1 7 . 1 1 53 53 LYS N N 53 123.948 123.948 123.636 0.312 25543 2630 1 7 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.408 -0.137 25543 2631 1 7 . 1 1 53 53 LYS C C 53 173.547 173.547 175.488 -1.941 25543 2632 1 7 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.036 0.464 25543 2633 1 7 . 1 1 53 53 LYS CB C 53 32.967 32.967 34.596 -1.629 25543 2634 1 7 . 1 1 53 53 LYS H H 53 8.531 8.531 8.294 0.237 25543 2635 1 7 . 1 1 54 54 ASN N N 54 119.853 119.853 122.245 -2.392 25543 2636 1 7 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.679 0.020 25543 2637 1 7 . 1 1 54 54 ASN C C 54 172.115 172.115 175.345 -3.230 25543 2638 1 7 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.580 -0.368 25543 2639 1 7 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.611 0.190 25543 2640 1 7 . 1 1 54 54 ASN H H 54 8.532 8.532 8.777 -0.245 25543 2641 1 7 . 1 1 55 55 ASP N N 55 121.271 121.271 127.389 -6.118 25543 2642 1 7 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.660 -0.086 25543 2643 1 7 . 1 1 55 55 ASP C C 55 174.105 174.105 176.350 -2.245 25543 2644 1 7 . 1 1 55 55 ASP CA C 55 54.159 54.159 52.747 1.412 25543 2645 1 7 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.034 0.006 25543 2646 1 7 . 1 1 55 55 ASP H H 55 8.297 8.297 8.509 -0.212 25543 2647 1 7 . 1 1 56 56 GLY N N 56 109.368 109.368 107.629 1.739 25543 2648 1 7 . 1 1 56 56 GLY C C 56 171.941 171.941 174.245 -2.304 25543 2649 1 7 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.562 -0.051 25543 2650 1 7 . 1 1 56 56 GLY H H 56 8.497 8.497 7.635 0.862 25543 2651 1 7 . 1 1 57 57 THR N N 57 113.628 113.628 110.508 3.120 25543 2652 1 7 . 1 1 57 57 THR HA H 57 4.275 4.275 3.895 0.380 25543 2653 1 7 . 1 1 57 57 THR C C 57 171.744 171.744 173.780 -2.036 25543 2654 1 7 . 1 1 57 57 THR CA C 57 62.240 62.240 63.100 -0.860 25543 2655 1 7 . 1 1 57 57 THR CB C 57 69.941 69.941 67.955 1.986 25543 2656 1 7 . 1 1 57 57 THR H H 57 8.156 8.156 8.161 -0.005 25543 2657 1 7 . 1 1 58 58 ARG N N 58 124.521 124.521 126.553 -2.032 25543 2658 1 7 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.562 0.058 25543 2659 1 7 . 1 1 58 58 ARG C C 58 171.187 171.187 175.009 -3.822 25543 2660 1 7 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.460 -0.491 25543 2661 1 7 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.449 -0.303 25543 2662 1 7 . 1 1 58 58 ARG H H 58 8.322 8.322 8.375 -0.053 25543 2663 1 7 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.270 0.112 25543 2664 1 7 . 1 1 59 59 PRO CA C 59 62.903 62.903 63.299 -0.396 25543 2665 1 7 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.304 -0.111 25543 2666 1 7 . 1 1 60 60 LYS N N 60 122.142 122.142 118.063 4.079 25543 2667 1 7 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.370 -0.167 25543 2668 1 7 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.649 0.679 25543 2669 1 7 . 1 1 60 60 LYS CB C 60 32.805 32.805 32.127 0.678 25543 2670 1 7 . 1 1 60 60 LYS H H 60 8.513 8.513 8.346 0.167 25543 2671 1 7 . 1 1 61 61 MET N N 61 122.695 122.695 121.946 0.749 25543 2672 1 7 . 1 1 61 61 MET HA H 61 4.598 4.598 4.554 0.044 25543 2673 1 7 . 1 1 61 61 MET C C 61 173.077 173.077 175.686 -2.609 25543 2674 1 7 . 1 1 61 61 MET CA C 61 55.296 55.296 53.746 1.550 25543 2675 1 7 . 1 1 61 61 MET CB C 61 34.491 34.491 32.323 2.168 25543 2676 1 7 . 1 1 61 61 MET H H 61 8.446 8.446 7.770 0.676 25543 2677 1 7 . 1 1 62 62 THR N N 62 115.170 115.170 117.664 -2.494 25543 2678 1 7 . 1 1 62 62 THR HA H 62 4.620 4.620 4.667 -0.047 25543 2679 1 7 . 1 1 62 62 THR C C 62 170.881 170.881 173.736 -2.855 25543 2680 1 7 . 1 1 62 62 THR CA C 62 59.858 59.858 59.685 0.173 25543 2681 1 7 . 1 1 62 62 THR CB C 62 68.752 68.752 69.099 -0.347 25543 2682 1 7 . 1 1 62 62 THR H H 62 8.437 8.437 8.262 0.175 25543 2683 1 7 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.069 0.205 25543 2684 1 7 . 1 1 63 63 PRO CA C 63 65.374 65.374 66.284 -0.910 25543 2685 1 7 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.882 -0.119 25543 2686 1 7 . 1 1 64 64 GLU N N 64 118.596 118.596 116.495 2.101 25543 2687 1 7 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.045 0.018 25543 2688 1 7 . 1 1 64 64 GLU CA C 64 59.613 59.613 60.009 -0.396 25543 2689 1 7 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.121 -0.104 25543 2690 1 7 . 1 1 64 64 GLU H H 64 8.813 8.813 8.834 -0.021 25543 2691 1 7 . 1 1 65 65 GLN N N 65 121.250 121.250 118.756 2.494 25543 2692 1 7 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.949 0.097 25543 2693 1 7 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.220 -1.104 25543 2694 1 7 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.645 0.066 25543 2695 1 7 . 1 1 65 65 GLN H H 65 7.964 7.964 7.536 0.428 25543 2696 1 7 . 1 1 66 66 MET N N 66 120.082 120.082 116.949 3.133 25543 2697 1 7 . 1 1 66 66 MET HA H 66 4.156 4.156 4.113 0.043 25543 2698 1 7 . 1 1 66 66 MET CA C 66 58.241 58.241 58.262 -0.021 25543 2699 1 7 . 1 1 66 66 MET CB C 66 32.558 32.558 31.382 1.176 25543 2700 1 7 . 1 1 66 66 MET H H 66 8.429 8.429 7.859 0.570 25543 2701 1 7 . 1 1 67 67 ALA N N 67 122.222 122.222 123.525 -1.303 25543 2702 1 7 . 1 1 67 67 ALA HA H 67 4.157 4.157 4.121 0.036 25543 2703 1 7 . 1 1 67 67 ALA CA C 67 54.271 54.271 54.673 -0.402 25543 2704 1 7 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.230 0.049 25543 2705 1 7 . 1 1 67 67 ALA H H 67 8.106 8.106 8.145 -0.039 25543 2706 1 7 . 1 1 68 68 LYS N N 68 120.031 120.031 118.254 1.777 25543 2707 1 7 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.959 0.168 25543 2708 1 7 . 1 1 68 68 LYS CA C 68 58.373 58.373 60.040 -1.667 25543 2709 1 7 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.380 0.224 25543 2710 1 7 . 1 1 68 68 LYS H H 68 7.815 7.815 8.599 -0.784 25543 2711 1 7 . 1 1 69 69 GLU N N 69 119.896 119.896 120.032 -0.136 25543 2712 1 7 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.145 -0.022 25543 2713 1 7 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.291 -0.742 25543 2714 1 7 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.546 -0.136 25543 2715 1 7 . 1 1 69 69 GLU H H 69 8.149 8.149 8.554 -0.405 25543 2716 1 7 . 1 1 70 70 MET N N 70 119.261 119.261 118.154 1.107 25543 2717 1 7 . 1 1 70 70 MET HA H 70 4.434 4.434 4.209 0.225 25543 2718 1 7 . 1 1 70 70 MET C C 70 174.607 174.607 178.592 -3.985 25543 2719 1 7 . 1 1 70 70 MET CA C 70 56.884 56.884 59.293 -2.409 25543 2720 1 7 . 1 1 70 70 MET CB C 70 32.159 32.159 32.368 -0.209 25543 2721 1 7 . 1 1 70 70 MET H H 70 8.215 8.215 8.149 0.066 25543 2722 1 7 . 1 1 71 71 SER N N 71 115.618 115.618 117.058 -1.440 25543 2723 1 7 . 1 1 71 71 SER HA H 71 4.265 4.265 4.193 0.072 25543 2724 1 7 . 1 1 71 71 SER CA C 71 60.463 60.463 61.939 -1.476 25543 2725 1 7 . 1 1 71 71 SER CB C 71 63.135 63.135 62.425 0.709 25543 2726 1 7 . 1 1 71 71 SER H H 71 8.161 8.161 8.502 -0.341 25543 2727 1 7 . 1 1 72 72 GLU N N 72 122.328 122.328 120.322 2.006 25543 2728 1 7 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.141 -0.028 25543 2729 1 7 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.734 -0.618 25543 2730 1 7 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.375 0.052 25543 2731 1 7 . 1 1 72 72 GLU H H 72 8.247 8.247 7.674 0.573 25543 2732 1 7 . 1 1 73 73 PHE N N 73 120.564 120.564 119.059 1.505 25543 2733 1 7 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.271 0.129 25543 2734 1 7 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.882 -1.385 25543 2735 1 7 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.841 -0.659 25543 2736 1 7 . 1 1 73 73 PHE H H 73 8.126 8.126 7.953 0.173 25543 2737 1 7 . 1 1 74 74 LEU N N 74 120.761 120.761 117.383 3.378 25543 2738 1 7 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.257 -0.105 25543 2739 1 7 . 1 1 74 74 LEU CA C 74 55.890 55.890 55.543 0.347 25543 2740 1 7 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.144 -0.038 25543 2741 1 7 . 1 1 74 74 LEU H H 74 8.127 8.127 8.415 -0.288 25543 2742 1 7 . 1 1 75 75 SER N N 75 115.178 115.178 115.459 -0.281 25543 2743 1 7 . 1 1 75 75 SER HA H 75 4.357 4.357 4.205 0.152 25543 2744 1 7 . 1 1 75 75 SER CA C 75 58.921 58.921 60.030 -1.109 25543 2745 1 7 . 1 1 75 75 SER CB C 75 63.534 63.534 62.050 1.484 25543 2746 1 7 . 1 1 75 75 SER H H 75 8.003 8.003 7.704 0.299 25543 2747 1 7 . 1 1 76 76 ARG N N 76 122.367 122.367 126.520 -4.153 25543 2748 1 7 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.218 0.096 25543 2749 1 7 . 1 1 76 76 ARG CA C 76 56.406 56.406 57.483 -1.077 25543 2750 1 7 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.569 0.263 25543 2751 1 7 . 1 1 76 76 ARG H H 76 7.985 7.985 8.143 -0.158 25543 2752 1 7 . 1 1 77 77 GLY N N 77 109.723 109.723 109.137 0.586 25543 2753 1 7 . 1 1 77 77 GLY CA C 77 44.400 44.400 45.478 -1.078 25543 2754 1 7 . 1 1 77 77 GLY H H 77 8.151 8.151 8.653 -0.502 25543 2755 1 7 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.580 -0.215 25543 2756 1 7 . 1 1 78 78 PRO C C 78 173.976 173.976 176.053 -2.077 25543 2757 1 7 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.814 0.412 25543 2758 1 7 . 1 1 78 78 PRO CB C 78 32.028 32.028 33.323 -1.295 25543 2759 1 8 . 1 1 7 7 GLN N N 7 120.283 120.283 120.879 -0.596 25543 2760 1 8 . 1 1 7 7 GLN HA H 7 4.135 4.135 4.076 0.059 25543 2761 1 8 . 1 1 7 7 GLN C C 7 174.902 174.902 177.991 -3.089 25543 2762 1 8 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.599 -1.281 25543 2763 1 8 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.043 0.657 25543 2764 1 8 . 1 1 7 7 GLN H H 7 8.340 8.340 8.669 -0.329 25543 2765 1 8 . 1 1 8 8 GLN N N 8 120.710 120.710 118.849 1.861 25543 2766 1 8 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.123 -0.076 25543 2767 1 8 . 1 1 8 8 GLN C C 8 174.564 174.564 178.117 -3.553 25543 2768 1 8 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.709 -0.608 25543 2769 1 8 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.781 0.713 25543 2770 1 8 . 1 1 8 8 GLN H H 8 8.434 8.434 8.541 -0.107 25543 2771 1 8 . 1 1 9 9 ALA N N 9 122.740 122.740 122.025 0.715 25543 2772 1 8 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.192 0.001 25543 2773 1 8 . 1 1 9 9 ALA C C 9 177.504 177.504 179.421 -1.917 25543 2774 1 8 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.914 -0.332 25543 2775 1 8 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.096 0.035 25543 2776 1 8 . 1 1 9 9 ALA H H 9 8.144 8.144 7.884 0.260 25543 2777 1 8 . 1 1 10 10 VAL N N 10 120.344 120.344 118.875 1.469 25543 2778 1 8 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.628 0.167 25543 2779 1 8 . 1 1 10 10 VAL C C 10 175.143 175.143 177.862 -2.719 25543 2780 1 8 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.422 0.004 25543 2781 1 8 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.901 0.168 25543 2782 1 8 . 1 1 10 10 VAL H H 10 7.854 7.854 7.850 0.004 25543 2783 1 8 . 1 1 11 11 LEU N N 11 121.896 121.896 120.210 1.686 25543 2784 1 8 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.872 0.263 25543 2785 1 8 . 1 1 11 11 LEU C C 11 177.143 177.143 178.280 -1.137 25543 2786 1 8 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.364 -0.674 25543 2787 1 8 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.600 0.043 25543 2788 1 8 . 1 1 11 11 LEU H H 11 7.936 7.936 8.792 -0.856 25543 2789 1 8 . 1 1 12 12 GLU N N 12 120.197 120.197 118.521 1.676 25543 2790 1 8 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.822 0.318 25543 2791 1 8 . 1 1 12 12 GLU C C 12 175.602 175.602 178.970 -3.368 25543 2792 1 8 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.419 -0.913 25543 2793 1 8 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.861 0.396 25543 2794 1 8 . 1 1 12 12 GLU H H 12 8.310 8.310 8.139 0.171 25543 2795 1 8 . 1 1 13 13 GLN N N 13 120.843 120.843 120.086 0.757 25543 2796 1 8 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.032 -0.114 25543 2797 1 8 . 1 1 13 13 GLN C C 13 174.656 174.656 178.404 -3.748 25543 2798 1 8 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.696 -0.275 25543 2799 1 8 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.284 -0.180 25543 2800 1 8 . 1 1 13 13 GLN H H 13 8.073 8.073 8.279 -0.206 25543 2801 1 8 . 1 1 14 14 GLU N N 14 119.589 119.589 119.622 -0.033 25543 2802 1 8 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.977 0.121 25543 2803 1 8 . 1 1 14 14 GLU C C 14 176.412 176.412 179.188 -2.776 25543 2804 1 8 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.527 -0.251 25543 2805 1 8 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.345 -0.026 25543 2806 1 8 . 1 1 14 14 GLU H H 14 8.340 8.340 7.908 0.432 25543 2807 1 8 . 1 1 15 15 ARG N N 15 120.353 120.353 119.320 1.033 25543 2808 1 8 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.958 0.022 25543 2809 1 8 . 1 1 15 15 ARG C C 15 175.896 175.896 178.758 -2.862 25543 2810 1 8 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.620 -0.117 25543 2811 1 8 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.105 -0.271 25543 2812 1 8 . 1 1 15 15 ARG H H 15 7.995 7.995 8.420 -0.425 25543 2813 1 8 . 1 1 16 16 ARG N N 16 120.490 120.490 119.781 0.709 25543 2814 1 8 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.115 -0.081 25543 2815 1 8 . 1 1 16 16 ARG C C 16 176.476 176.476 178.107 -1.631 25543 2816 1 8 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.563 -0.195 25543 2817 1 8 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.127 -0.295 25543 2818 1 8 . 1 1 16 16 ARG H H 16 8.169 8.169 8.241 -0.072 25543 2819 1 8 . 1 1 17 17 ASP N N 17 120.965 120.965 119.053 1.912 25543 2820 1 8 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.268 0.171 25543 2821 1 8 . 1 1 17 17 ASP C C 17 176.291 176.291 178.759 -2.468 25543 2822 1 8 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.656 -0.404 25543 2823 1 8 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.743 -0.834 25543 2824 1 8 . 1 1 17 17 ASP H H 17 8.684 8.684 8.352 0.332 25543 2825 1 8 . 1 1 18 18 ARG N N 18 122.128 122.128 118.740 3.388 25543 2826 1 8 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.960 0.171 25543 2827 1 8 . 1 1 18 18 ARG C C 18 175.897 175.897 178.762 -2.865 25543 2828 1 8 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.672 -0.519 25543 2829 1 8 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.273 -0.146 25543 2830 1 8 . 1 1 18 18 ARG H H 18 8.183 8.183 8.118 0.065 25543 2831 1 8 . 1 1 19 19 GLU N N 19 120.044 120.044 120.298 -0.254 25543 2832 1 8 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.928 0.089 25543 2833 1 8 . 1 1 19 19 GLU C C 19 172.902 172.902 179.230 -6.328 25543 2834 1 8 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.571 -0.382 25543 2835 1 8 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.456 -0.152 25543 2836 1 8 . 1 1 19 19 GLU H H 19 8.207 8.207 8.013 0.194 25543 2837 1 8 . 1 1 20 20 LEU N N 20 121.172 121.172 119.967 1.205 25543 2838 1 8 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.932 0.200 25543 2839 1 8 . 1 1 20 20 LEU C C 20 174.935 174.935 178.996 -4.061 25543 2840 1 8 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.188 -0.312 25543 2841 1 8 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.122 0.548 25543 2842 1 8 . 1 1 20 20 LEU H H 20 8.102 8.102 8.160 -0.058 25543 2843 1 8 . 1 1 21 21 ALA N N 21 120.754 120.754 121.510 -0.756 25543 2844 1 8 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.906 0.181 25543 2845 1 8 . 1 1 21 21 ALA C C 21 177.689 177.689 179.993 -2.304 25543 2846 1 8 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.029 -0.359 25543 2847 1 8 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.080 -0.093 25543 2848 1 8 . 1 1 21 21 ALA H H 21 7.864 7.864 7.959 -0.095 25543 2849 1 8 . 1 1 22 22 LEU N N 22 119.357 119.357 119.285 0.072 25543 2850 1 8 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.982 0.196 25543 2851 1 8 . 1 1 22 22 LEU C C 22 175.842 175.842 178.818 -2.976 25543 2852 1 8 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.114 -1.057 25543 2853 1 8 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.898 0.065 25543 2854 1 8 . 1 1 22 22 LEU H H 22 7.901 7.901 8.333 -0.432 25543 2855 1 8 . 1 1 23 23 ARG N N 23 120.416 120.416 119.225 1.191 25543 2856 1 8 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.915 0.236 25543 2857 1 8 . 1 1 23 23 ARG C C 23 176.236 176.236 179.086 -2.850 25543 2858 1 8 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.869 -1.335 25543 2859 1 8 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.147 0.010 25543 2860 1 8 . 1 1 23 23 ARG H H 23 7.890 7.890 7.879 0.011 25543 2861 1 8 . 1 1 24 24 ILE N N 24 121.088 121.088 119.544 1.544 25543 2862 1 8 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.622 0.255 25543 2863 1 8 . 1 1 24 24 ILE C C 24 174.946 174.946 177.677 -2.731 25543 2864 1 8 . 1 1 24 24 ILE CA C 24 63.614 63.614 65.101 -1.487 25543 2865 1 8 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.344 0.871 25543 2866 1 8 . 1 1 24 24 ILE H H 24 8.254 8.254 8.283 -0.029 25543 2867 1 8 . 1 1 25 25 ALA N N 25 124.216 124.216 122.139 2.077 25543 2868 1 8 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.823 0.399 25543 2869 1 8 . 1 1 25 25 ALA C C 25 176.883 176.883 179.770 -2.887 25543 2870 1 8 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.240 -1.167 25543 2871 1 8 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.000 0.477 25543 2872 1 8 . 1 1 25 25 ALA H H 25 8.053 8.053 8.050 0.003 25543 2873 1 8 . 1 1 26 26 GLN N N 26 118.617 118.617 115.700 2.917 25543 2874 1 8 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.026 0.177 25543 2875 1 8 . 1 1 26 26 GLN C C 26 174.564 174.564 178.595 -4.031 25543 2876 1 8 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.431 -1.212 25543 2877 1 8 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.523 0.346 25543 2878 1 8 . 1 1 26 26 GLN H H 26 8.269 8.269 8.282 -0.013 25543 2879 1 8 . 1 1 27 27 SER N N 27 116.340 116.340 116.425 -0.085 25543 2880 1 8 . 1 1 27 27 SER HA H 27 4.350 4.350 4.240 0.110 25543 2881 1 8 . 1 1 27 27 SER C C 27 172.902 172.902 176.284 -3.382 25543 2882 1 8 . 1 1 27 27 SER CA C 27 59.941 59.941 61.275 -1.334 25543 2883 1 8 . 1 1 27 27 SER CB C 27 63.458 63.458 62.806 0.652 25543 2884 1 8 . 1 1 27 27 SER H H 27 8.195 8.195 8.291 -0.096 25543 2885 1 8 . 1 1 28 28 GLU N N 28 122.168 122.168 120.881 1.287 25543 2886 1 8 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.099 0.068 25543 2887 1 8 . 1 1 28 28 GLU C C 28 174.568 174.568 178.488 -3.920 25543 2888 1 8 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.784 -0.908 25543 2889 1 8 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.582 0.378 25543 2890 1 8 . 1 1 28 28 GLU H H 28 8.316 8.316 8.520 -0.204 25543 2891 1 8 . 1 1 29 29 ALA N N 29 122.950 122.950 122.115 0.835 25543 2892 1 8 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.217 -0.014 25543 2893 1 8 . 1 1 29 29 ALA C C 29 176.938 176.938 179.066 -2.128 25543 2894 1 8 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.205 -0.848 25543 2895 1 8 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.136 -0.283 25543 2896 1 8 . 1 1 29 29 ALA H H 29 8.029 8.029 8.067 -0.038 25543 2897 1 8 . 1 1 30 30 GLU N N 30 119.092 119.092 116.651 2.441 25543 2898 1 8 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.262 -0.108 25543 2899 1 8 . 1 1 30 30 GLU C C 30 174.531 174.531 176.993 -2.462 25543 2900 1 8 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.370 0.719 25543 2901 1 8 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.452 -0.511 25543 2902 1 8 . 1 1 30 30 GLU H H 30 8.104 8.104 7.743 0.361 25543 2903 1 8 . 1 1 31 31 LEU N N 31 122.322 122.322 120.194 2.128 25543 2904 1 8 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.989 0.299 25543 2905 1 8 . 1 1 31 31 LEU C C 31 176.006 176.006 176.656 -0.650 25543 2906 1 8 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.968 -0.269 25543 2907 1 8 . 1 1 31 31 LEU CB C 31 42.118 42.118 39.765 2.353 25543 2908 1 8 . 1 1 31 31 LEU H H 31 8.016 8.016 8.201 -0.185 25543 2909 1 8 . 1 1 32 32 ILE N N 32 121.365 121.365 120.012 1.353 25543 2910 1 8 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.126 0.026 25543 2911 1 8 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.297 -0.953 25543 2912 1 8 . 1 1 32 32 ILE CB C 32 38.529 38.529 39.055 -0.526 25543 2913 1 8 . 1 1 32 32 ILE H H 32 8.050 8.050 8.171 -0.121 25543 2914 1 8 . 1 1 33 33 SER N N 33 120.203 120.203 116.602 3.601 25543 2915 1 8 . 1 1 33 33 SER HA H 33 4.409 4.409 4.360 0.049 25543 2916 1 8 . 1 1 33 33 SER CA C 33 58.468 58.468 58.576 -0.108 25543 2917 1 8 . 1 1 33 33 SER CB C 33 64.021 64.021 61.378 2.643 25543 2918 1 8 . 1 1 33 33 SER H H 33 8.391 8.391 8.450 -0.059 25543 2919 1 8 . 1 1 34 34 ASP N N 34 123.136 123.136 122.871 0.265 25543 2920 1 8 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.243 0.251 25543 2921 1 8 . 1 1 34 34 ASP C C 34 175.121 175.121 177.131 -2.010 25543 2922 1 8 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.084 -1.404 25543 2923 1 8 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.072 -0.394 25543 2924 1 8 . 1 1 34 34 ASP H H 34 8.629 8.629 8.302 0.327 25543 2925 1 8 . 1 1 35 35 GLU N N 35 121.638 121.638 120.654 0.984 25543 2926 1 8 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.928 0.180 25543 2927 1 8 . 1 1 35 35 GLU C C 35 174.886 174.886 178.189 -3.303 25543 2928 1 8 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.584 -0.999 25543 2929 1 8 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.579 -0.046 25543 2930 1 8 . 1 1 35 35 GLU H H 35 8.579 8.579 8.308 0.271 25543 2931 1 8 . 1 1 36 36 ALA N N 36 123.946 123.946 122.012 1.934 25543 2932 1 8 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.999 0.230 25543 2933 1 8 . 1 1 36 36 ALA C C 36 177.012 177.012 180.034 -3.022 25543 2934 1 8 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.355 -1.546 25543 2935 1 8 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.962 0.583 25543 2936 1 8 . 1 1 36 36 ALA H H 36 8.235 8.235 8.243 -0.008 25543 2937 1 8 . 1 1 37 37 GLN N N 37 118.885 118.885 118.092 0.793 25543 2938 1 8 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.923 0.203 25543 2939 1 8 . 1 1 37 37 GLN C C 37 174.897 174.897 178.512 -3.615 25543 2940 1 8 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.655 -1.254 25543 2941 1 8 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.230 0.551 25543 2942 1 8 . 1 1 37 37 GLN H H 37 8.295 8.295 7.764 0.531 25543 2943 1 8 . 1 1 38 38 ALA N N 38 124.163 124.163 122.951 1.212 25543 2944 1 8 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.903 0.271 25543 2945 1 8 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.288 -1.192 25543 2946 1 8 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.162 0.294 25543 2947 1 8 . 1 1 38 38 ALA H H 38 8.217 8.217 8.277 -0.060 25543 2948 1 8 . 1 1 39 39 ASP N N 39 119.226 119.226 120.012 -0.786 25543 2949 1 8 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.263 0.213 25543 2950 1 8 . 1 1 39 39 ASP CA C 39 55.844 55.844 58.387 -2.543 25543 2951 1 8 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.514 0.465 25543 2952 1 8 . 1 1 39 39 ASP H H 39 8.145 8.145 8.029 0.116 25543 2953 1 8 . 1 1 40 40 LEU N N 40 121.976 121.976 119.939 2.037 25543 2954 1 8 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.862 0.203 25543 2955 1 8 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.025 -0.895 25543 2956 1 8 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.620 0.342 25543 2957 1 8 . 1 1 40 40 LEU H H 40 8.018 8.018 8.260 -0.242 25543 2958 1 8 . 1 1 41 41 ALA N N 41 121.547 121.547 122.024 -0.477 25543 2959 1 8 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.963 0.137 25543 2960 1 8 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.183 -1.124 25543 2961 1 8 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.215 -0.019 25543 2962 1 8 . 1 1 41 41 ALA H H 41 8.076 8.076 8.143 -0.067 25543 2963 1 8 . 1 1 42 42 LEU N N 42 119.599 119.599 117.613 1.986 25543 2964 1 8 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.975 0.222 25543 2965 1 8 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.436 -1.034 25543 2966 1 8 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.696 0.330 25543 2967 1 8 . 1 1 42 42 LEU H H 42 7.832 7.832 8.265 -0.433 25543 2968 1 8 . 1 1 43 43 ARG N N 43 120.126 120.126 117.668 2.458 25543 2969 1 8 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.070 0.051 25543 2970 1 8 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.266 -0.588 25543 2971 1 8 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.547 -0.353 25543 2972 1 8 . 1 1 43 43 ARG H H 43 8.047 8.047 8.257 -0.210 25543 2973 1 8 . 1 1 44 44 ARG N N 44 120.206 120.206 118.039 2.167 25543 2974 1 8 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.235 0.004 25543 2975 1 8 . 1 1 44 44 ARG C C 44 173.165 173.165 177.017 -3.852 25543 2976 1 8 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.514 -0.403 25543 2977 1 8 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.632 -0.040 25543 2978 1 8 . 1 1 44 44 ARG H H 44 8.206 8.206 7.887 0.319 25543 2979 1 8 . 1 1 45 45 SER N N 45 116.312 116.312 116.869 -0.557 25543 2980 1 8 . 1 1 45 45 SER HA H 45 4.369 4.369 4.323 0.046 25543 2981 1 8 . 1 1 45 45 SER C C 45 170.903 170.903 175.327 -4.424 25543 2982 1 8 . 1 1 45 45 SER CA C 45 59.151 59.151 58.340 0.811 25543 2983 1 8 . 1 1 45 45 SER CB C 45 63.539 63.539 63.232 0.307 25543 2984 1 8 . 1 1 45 45 SER H H 45 8.171 8.171 7.659 0.512 25543 2985 1 8 . 1 1 46 46 LEU N N 46 123.524 123.524 128.597 -5.073 25543 2986 1 8 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.150 0.140 25543 2987 1 8 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.055 -0.336 25543 2988 1 8 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.360 -0.289 25543 2989 1 8 . 1 1 46 46 LEU H H 46 8.168 8.168 8.202 -0.034 25543 2990 1 8 . 1 1 47 47 ASP N N 47 119.853 119.853 116.786 3.067 25543 2991 1 8 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.499 0.038 25543 2992 1 8 . 1 1 47 47 ASP C C 47 173.143 173.143 176.822 -3.679 25543 2993 1 8 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.379 0.360 25543 2994 1 8 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.837 0.100 25543 2995 1 8 . 1 1 47 47 ASP H H 47 8.154 8.154 8.296 -0.142 25543 2996 1 8 . 1 1 48 48 SER N N 48 114.867 114.867 117.537 -2.670 25543 2997 1 8 . 1 1 48 48 SER HA H 48 4.340 4.340 4.114 0.226 25543 2998 1 8 . 1 1 48 48 SER C C 48 170.816 170.816 174.604 -3.788 25543 2999 1 8 . 1 1 48 48 SER CA C 48 58.345 58.345 59.551 -1.206 25543 3000 1 8 . 1 1 48 48 SER CB C 48 63.835 63.835 62.885 0.950 25543 3001 1 8 . 1 1 48 48 SER H H 48 7.960 7.960 7.352 0.608 25543 3002 1 8 . 1 1 49 49 TYR N N 49 123.355 123.355 120.090 3.265 25543 3003 1 8 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.718 0.017 25543 3004 1 8 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.259 1.882 25543 3005 1 8 . 1 1 49 49 TYR CB C 49 38.144 38.144 36.966 1.178 25543 3006 1 8 . 1 1 49 49 TYR H H 49 8.102 8.102 6.650 1.452 25543 3007 1 8 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.436 -0.009 25543 3008 1 8 . 1 1 50 50 PRO C C 50 173.908 173.908 176.353 -2.445 25543 3009 1 8 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.473 0.572 25543 3010 1 8 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.562 -0.670 25543 3011 1 8 . 1 1 51 51 VAL N N 51 120.746 120.746 120.357 0.389 25543 3012 1 8 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.169 -0.081 25543 3013 1 8 . 1 1 51 51 VAL C C 51 173.504 173.504 176.061 -2.557 25543 3014 1 8 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.939 -0.637 25543 3015 1 8 . 1 1 51 51 VAL CB C 51 32.866 32.866 31.464 1.402 25543 3016 1 8 . 1 1 51 51 VAL H H 51 8.270 8.270 8.332 -0.062 25543 3017 1 8 . 1 1 52 52 SER N N 52 119.837 119.837 125.151 -5.314 25543 3018 1 8 . 1 1 52 52 SER HA H 52 4.429 4.429 4.632 -0.203 25543 3019 1 8 . 1 1 52 52 SER C C 52 171.799 171.799 173.560 -1.761 25543 3020 1 8 . 1 1 52 52 SER CA C 52 58.088 58.088 57.699 0.389 25543 3021 1 8 . 1 1 52 52 SER CB C 52 63.948 63.948 63.874 0.074 25543 3022 1 8 . 1 1 52 52 SER H H 52 8.493 8.493 8.705 -0.212 25543 3023 1 8 . 1 1 53 53 LYS N N 53 123.948 123.948 126.859 -2.911 25543 3024 1 8 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.358 -0.087 25543 3025 1 8 . 1 1 53 53 LYS C C 53 173.547 173.547 176.050 -2.503 25543 3026 1 8 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.957 0.543 25543 3027 1 8 . 1 1 53 53 LYS CB C 53 32.967 32.967 32.808 0.159 25543 3028 1 8 . 1 1 53 53 LYS H H 53 8.531 8.531 8.619 -0.088 25543 3029 1 8 . 1 1 54 54 ASN N N 54 119.853 119.853 126.232 -6.379 25543 3030 1 8 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.861 -0.162 25543 3031 1 8 . 1 1 54 54 ASN C C 54 172.115 172.115 174.908 -2.793 25543 3032 1 8 . 1 1 54 54 ASN CA C 54 53.212 53.212 52.460 0.752 25543 3033 1 8 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.021 0.780 25543 3034 1 8 . 1 1 54 54 ASN H H 54 8.532 8.532 8.798 -0.266 25543 3035 1 8 . 1 1 55 55 ASP N N 55 121.271 121.271 120.734 0.537 25543 3036 1 8 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.542 0.032 25543 3037 1 8 . 1 1 55 55 ASP C C 55 174.105 174.105 177.291 -3.186 25543 3038 1 8 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.473 -0.314 25543 3039 1 8 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.853 0.187 25543 3040 1 8 . 1 1 55 55 ASP H H 55 8.297 8.297 8.021 0.276 25543 3041 1 8 . 1 1 56 56 GLY N N 56 109.368 109.368 107.643 1.725 25543 3042 1 8 . 1 1 56 56 GLY C C 56 171.941 171.941 174.522 -2.581 25543 3043 1 8 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.242 0.269 25543 3044 1 8 . 1 1 56 56 GLY H H 56 8.497 8.497 8.464 0.033 25543 3045 1 8 . 1 1 57 57 THR N N 57 113.628 113.628 112.334 1.294 25543 3046 1 8 . 1 1 57 57 THR HA H 57 4.275 4.275 4.508 -0.233 25543 3047 1 8 . 1 1 57 57 THR C C 57 171.744 171.744 174.044 -2.300 25543 3048 1 8 . 1 1 57 57 THR CA C 57 62.240 62.240 60.941 1.299 25543 3049 1 8 . 1 1 57 57 THR CB C 57 69.941 69.941 70.132 -0.191 25543 3050 1 8 . 1 1 57 57 THR H H 57 8.156 8.156 8.627 -0.471 25543 3051 1 8 . 1 1 58 58 ARG N N 58 124.521 124.521 125.395 -0.874 25543 3052 1 8 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.507 0.113 25543 3053 1 8 . 1 1 58 58 ARG C C 58 171.187 171.187 175.449 -4.262 25543 3054 1 8 . 1 1 58 58 ARG CA C 58 53.969 53.969 55.020 -1.051 25543 3055 1 8 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.983 0.163 25543 3056 1 8 . 1 1 58 58 ARG H H 58 8.322 8.322 8.292 0.030 25543 3057 1 8 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.507 -0.125 25543 3058 1 8 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.700 0.203 25543 3059 1 8 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.617 -0.424 25543 3060 1 8 . 1 1 60 60 LYS N N 60 122.142 122.142 118.714 3.428 25543 3061 1 8 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.524 -0.321 25543 3062 1 8 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.592 0.736 25543 3063 1 8 . 1 1 60 60 LYS CB C 60 32.805 32.805 34.005 -1.200 25543 3064 1 8 . 1 1 60 60 LYS H H 60 8.513 8.513 8.235 0.278 25543 3065 1 8 . 1 1 61 61 MET N N 61 122.695 122.695 123.386 -0.691 25543 3066 1 8 . 1 1 61 61 MET HA H 61 4.598 4.598 4.635 -0.036 25543 3067 1 8 . 1 1 61 61 MET C C 61 173.077 173.077 176.193 -3.116 25543 3068 1 8 . 1 1 61 61 MET CA C 61 55.296 55.296 53.956 1.340 25543 3069 1 8 . 1 1 61 61 MET CB C 61 34.491 34.491 33.465 1.026 25543 3070 1 8 . 1 1 61 61 MET H H 61 8.446 8.446 8.511 -0.065 25543 3071 1 8 . 1 1 62 62 THR N N 62 115.170 115.170 116.721 -1.551 25543 3072 1 8 . 1 1 62 62 THR HA H 62 4.620 4.620 4.659 -0.039 25543 3073 1 8 . 1 1 62 62 THR C C 62 170.881 170.881 174.355 -3.474 25543 3074 1 8 . 1 1 62 62 THR CA C 62 59.858 59.858 59.139 0.719 25543 3075 1 8 . 1 1 62 62 THR CB C 62 68.752 68.752 69.021 -0.269 25543 3076 1 8 . 1 1 62 62 THR H H 62 8.437 8.437 8.543 -0.106 25543 3077 1 8 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.040 0.234 25543 3078 1 8 . 1 1 63 63 PRO CA C 63 65.374 65.374 66.028 -0.655 25543 3079 1 8 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.814 -0.051 25543 3080 1 8 . 1 1 64 64 GLU N N 64 118.596 118.596 116.646 1.950 25543 3081 1 8 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.044 0.019 25543 3082 1 8 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.810 -0.198 25543 3083 1 8 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.287 -0.270 25543 3084 1 8 . 1 1 64 64 GLU H H 64 8.813 8.813 8.838 -0.025 25543 3085 1 8 . 1 1 65 65 GLN N N 65 121.250 121.250 118.697 2.553 25543 3086 1 8 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.983 0.063 25543 3087 1 8 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.183 -1.067 25543 3088 1 8 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.642 0.069 25543 3089 1 8 . 1 1 65 65 GLN H H 65 7.964 7.964 8.056 -0.092 25543 3090 1 8 . 1 1 66 66 MET N N 66 120.082 120.082 117.231 2.851 25543 3091 1 8 . 1 1 66 66 MET HA H 66 4.156 4.156 4.098 0.058 25543 3092 1 8 . 1 1 66 66 MET CA C 66 58.241 58.241 58.446 -0.205 25543 3093 1 8 . 1 1 66 66 MET CB C 66 32.558 32.558 31.462 1.096 25543 3094 1 8 . 1 1 66 66 MET H H 66 8.429 8.429 7.883 0.546 25543 3095 1 8 . 1 1 67 67 ALA N N 67 122.222 122.222 122.810 -0.588 25543 3096 1 8 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.977 0.180 25543 3097 1 8 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.250 -0.979 25543 3098 1 8 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.957 0.322 25543 3099 1 8 . 1 1 67 67 ALA H H 67 8.106 8.106 8.084 0.022 25543 3100 1 8 . 1 1 68 68 LYS N N 68 120.031 120.031 119.568 0.463 25543 3101 1 8 . 1 1 68 68 LYS HA H 68 4.127 4.127 4.059 0.068 25543 3102 1 8 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.340 -0.967 25543 3103 1 8 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.484 0.120 25543 3104 1 8 . 1 1 68 68 LYS H H 68 7.815 7.815 8.221 -0.406 25543 3105 1 8 . 1 1 69 69 GLU N N 69 119.896 119.896 119.245 0.651 25543 3106 1 8 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.100 0.023 25543 3107 1 8 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.398 -0.849 25543 3108 1 8 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.446 -0.036 25543 3109 1 8 . 1 1 69 69 GLU H H 69 8.149 8.149 8.194 -0.045 25543 3110 1 8 . 1 1 70 70 MET N N 70 119.261 119.261 118.616 0.645 25543 3111 1 8 . 1 1 70 70 MET HA H 70 4.434 4.434 4.110 0.324 25543 3112 1 8 . 1 1 70 70 MET C C 70 174.607 174.607 178.796 -4.189 25543 3113 1 8 . 1 1 70 70 MET CA C 70 56.884 56.884 59.523 -2.639 25543 3114 1 8 . 1 1 70 70 MET CB C 70 32.159 32.159 32.549 -0.390 25543 3115 1 8 . 1 1 70 70 MET H H 70 8.215 8.215 8.517 -0.302 25543 3116 1 8 . 1 1 71 71 SER N N 71 115.618 115.618 114.303 1.315 25543 3117 1 8 . 1 1 71 71 SER HA H 71 4.265 4.265 4.144 0.121 25543 3118 1 8 . 1 1 71 71 SER CA C 71 60.463 60.463 61.438 -0.975 25543 3119 1 8 . 1 1 71 71 SER CB C 71 63.135 63.135 62.831 0.303 25543 3120 1 8 . 1 1 71 71 SER H H 71 8.161 8.161 8.400 -0.239 25543 3121 1 8 . 1 1 72 72 GLU N N 72 122.328 122.328 122.213 0.115 25543 3122 1 8 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.110 0.003 25543 3123 1 8 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.732 -0.616 25543 3124 1 8 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.786 -0.359 25543 3125 1 8 . 1 1 72 72 GLU H H 72 8.247 8.247 8.146 0.101 25543 3126 1 8 . 1 1 73 73 PHE N N 73 120.564 120.564 119.917 0.647 25543 3127 1 8 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.227 0.173 25543 3128 1 8 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.041 -1.544 25543 3129 1 8 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.663 -0.481 25543 3130 1 8 . 1 1 73 73 PHE H H 73 8.126 8.126 7.959 0.167 25543 3131 1 8 . 1 1 74 74 LEU N N 74 120.761 120.761 118.425 2.336 25543 3132 1 8 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.092 0.060 25543 3133 1 8 . 1 1 74 74 LEU CA C 74 55.890 55.890 57.007 -1.117 25543 3134 1 8 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.242 -0.136 25543 3135 1 8 . 1 1 74 74 LEU H H 74 8.127 8.127 8.335 -0.208 25543 3136 1 8 . 1 1 75 75 SER N N 75 115.178 115.178 111.535 3.643 25543 3137 1 8 . 1 1 75 75 SER HA H 75 4.357 4.357 4.629 -0.272 25543 3138 1 8 . 1 1 75 75 SER CA C 75 58.921 58.921 57.448 1.473 25543 3139 1 8 . 1 1 75 75 SER CB C 75 63.534 63.534 64.597 -1.063 25543 3140 1 8 . 1 1 75 75 SER H H 75 8.003 8.003 7.633 0.370 25543 3141 1 8 . 1 1 76 76 ARG N N 76 122.367 122.367 118.054 4.313 25543 3142 1 8 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.380 -0.066 25543 3143 1 8 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.145 0.261 25543 3144 1 8 . 1 1 76 76 ARG CB C 76 30.832 30.832 32.422 -1.590 25543 3145 1 8 . 1 1 76 76 ARG H H 76 7.985 7.985 8.231 -0.246 25543 3146 1 8 . 1 1 77 77 GLY N N 77 109.723 109.723 109.671 0.052 25543 3147 1 8 . 1 1 77 77 GLY CA C 77 44.400 44.400 45.386 -0.987 25543 3148 1 8 . 1 1 77 77 GLY H H 77 8.151 8.151 8.326 -0.175 25543 3149 1 8 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.632 -0.267 25543 3150 1 8 . 1 1 78 78 PRO C C 78 173.976 173.976 176.503 -2.527 25543 3151 1 8 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.609 0.617 25543 3152 1 8 . 1 1 78 78 PRO CB C 78 32.028 32.028 30.251 1.777 25543 3153 1 9 . 1 1 7 7 GLN N N 7 120.283 120.283 122.206 -1.923 25543 3154 1 9 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.985 0.150 25543 3155 1 9 . 1 1 7 7 GLN C C 7 174.902 174.902 178.148 -3.246 25543 3156 1 9 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.938 -1.621 25543 3157 1 9 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.613 1.087 25543 3158 1 9 . 1 1 7 7 GLN H H 7 8.340 8.340 8.869 -0.529 25543 3159 1 9 . 1 1 8 8 GLN N N 8 120.710 120.710 117.038 3.672 25543 3160 1 9 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.050 -0.003 25543 3161 1 9 . 1 1 8 8 GLN C C 8 174.564 174.564 178.203 -3.639 25543 3162 1 9 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.694 -0.593 25543 3163 1 9 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.781 0.713 25543 3164 1 9 . 1 1 8 8 GLN H H 8 8.434 8.434 8.775 -0.341 25543 3165 1 9 . 1 1 9 9 ALA N N 9 122.740 122.740 122.895 -0.155 25543 3166 1 9 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.088 0.105 25543 3167 1 9 . 1 1 9 9 ALA C C 9 177.504 177.504 179.357 -1.853 25543 3168 1 9 . 1 1 9 9 ALA CA C 9 54.582 54.582 55.002 -0.420 25543 3169 1 9 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.298 -0.167 25543 3170 1 9 . 1 1 9 9 ALA H H 9 8.144 8.144 7.912 0.232 25543 3171 1 9 . 1 1 10 10 VAL N N 10 120.344 120.344 118.835 1.509 25543 3172 1 9 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.639 0.156 25543 3173 1 9 . 1 1 10 10 VAL C C 10 175.143 175.143 177.844 -2.701 25543 3174 1 9 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.473 -0.047 25543 3175 1 9 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.930 0.138 25543 3176 1 9 . 1 1 10 10 VAL H H 10 7.854 7.854 7.928 -0.074 25543 3177 1 9 . 1 1 11 11 LEU N N 11 121.896 121.896 120.479 1.417 25543 3178 1 9 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.893 0.242 25543 3179 1 9 . 1 1 11 11 LEU C C 11 177.143 177.143 178.445 -1.302 25543 3180 1 9 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.273 -0.583 25543 3181 1 9 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.645 -0.002 25543 3182 1 9 . 1 1 11 11 LEU H H 11 7.936 7.936 8.817 -0.881 25543 3183 1 9 . 1 1 12 12 GLU N N 12 120.197 120.197 118.600 1.597 25543 3184 1 9 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.906 0.234 25543 3185 1 9 . 1 1 12 12 GLU C C 12 175.602 175.602 179.039 -3.437 25543 3186 1 9 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.234 -0.728 25543 3187 1 9 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.587 0.670 25543 3188 1 9 . 1 1 12 12 GLU H H 12 8.310 8.310 8.088 0.222 25543 3189 1 9 . 1 1 13 13 GLN N N 13 120.843 120.843 119.727 1.116 25543 3190 1 9 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.058 -0.140 25543 3191 1 9 . 1 1 13 13 GLN C C 13 174.656 174.656 178.539 -3.883 25543 3192 1 9 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.631 -0.210 25543 3193 1 9 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.370 -0.266 25543 3194 1 9 . 1 1 13 13 GLN H H 13 8.073 8.073 8.279 -0.206 25543 3195 1 9 . 1 1 14 14 GLU N N 14 119.589 119.589 119.881 -0.292 25543 3196 1 9 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.984 0.114 25543 3197 1 9 . 1 1 14 14 GLU C C 14 176.412 176.412 179.097 -2.685 25543 3198 1 9 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.581 -0.305 25543 3199 1 9 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.312 0.007 25543 3200 1 9 . 1 1 14 14 GLU H H 14 8.340 8.340 7.969 0.371 25543 3201 1 9 . 1 1 15 15 ARG N N 15 120.353 120.353 118.888 1.465 25543 3202 1 9 . 1 1 15 15 ARG HA H 15 3.980 3.980 4.039 -0.059 25543 3203 1 9 . 1 1 15 15 ARG C C 15 175.896 175.896 179.062 -3.166 25543 3204 1 9 . 1 1 15 15 ARG CA C 15 59.503 59.503 58.999 0.504 25543 3205 1 9 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.947 -0.113 25543 3206 1 9 . 1 1 15 15 ARG H H 15 7.995 7.995 8.307 -0.312 25543 3207 1 9 . 1 1 16 16 ARG N N 16 120.490 120.490 118.722 1.768 25543 3208 1 9 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.064 -0.030 25543 3209 1 9 . 1 1 16 16 ARG C C 16 176.476 176.476 178.496 -2.020 25543 3210 1 9 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.483 -0.115 25543 3211 1 9 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.889 -0.057 25543 3212 1 9 . 1 1 16 16 ARG H H 16 8.169 8.169 8.292 -0.123 25543 3213 1 9 . 1 1 17 17 ASP N N 17 120.965 120.965 120.256 0.709 25543 3214 1 9 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.389 0.050 25543 3215 1 9 . 1 1 17 17 ASP C C 17 176.291 176.291 178.215 -1.924 25543 3216 1 9 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.505 -0.253 25543 3217 1 9 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.800 -0.891 25543 3218 1 9 . 1 1 17 17 ASP H H 17 8.684 8.684 8.317 0.367 25543 3219 1 9 . 1 1 18 18 ARG N N 18 122.128 122.128 119.238 2.890 25543 3220 1 9 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.983 0.147 25543 3221 1 9 . 1 1 18 18 ARG C C 18 175.897 175.897 178.822 -2.925 25543 3222 1 9 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.124 0.029 25543 3223 1 9 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.734 0.393 25543 3224 1 9 . 1 1 18 18 ARG H H 18 8.183 8.183 8.154 0.029 25543 3225 1 9 . 1 1 19 19 GLU N N 19 120.044 120.044 120.248 -0.204 25543 3226 1 9 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.009 0.008 25543 3227 1 9 . 1 1 19 19 GLU C C 19 172.902 172.902 179.199 -6.297 25543 3228 1 9 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.381 -0.192 25543 3229 1 9 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.300 0.004 25543 3230 1 9 . 1 1 19 19 GLU H H 19 8.207 8.207 8.100 0.107 25543 3231 1 9 . 1 1 20 20 LEU N N 20 121.172 121.172 120.471 0.701 25543 3232 1 9 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.952 0.180 25543 3233 1 9 . 1 1 20 20 LEU C C 20 174.935 174.935 178.915 -3.980 25543 3234 1 9 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.230 -0.354 25543 3235 1 9 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.324 0.346 25543 3236 1 9 . 1 1 20 20 LEU H H 20 8.102 8.102 8.149 -0.047 25543 3237 1 9 . 1 1 21 21 ALA N N 21 120.754 120.754 121.378 -0.624 25543 3238 1 9 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.947 0.140 25543 3239 1 9 . 1 1 21 21 ALA C C 21 177.689 177.689 180.094 -2.405 25543 3240 1 9 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.044 -0.374 25543 3241 1 9 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.135 -0.148 25543 3242 1 9 . 1 1 21 21 ALA H H 21 7.864 7.864 8.124 -0.260 25543 3243 1 9 . 1 1 22 22 LEU N N 22 119.357 119.357 119.341 0.016 25543 3244 1 9 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.049 0.128 25543 3245 1 9 . 1 1 22 22 LEU C C 22 175.842 175.842 178.841 -2.999 25543 3246 1 9 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.861 -0.804 25543 3247 1 9 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.961 0.002 25543 3248 1 9 . 1 1 22 22 LEU H H 22 7.901 7.901 8.255 -0.354 25543 3249 1 9 . 1 1 23 23 ARG N N 23 120.416 120.416 119.881 0.535 25543 3250 1 9 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.956 0.195 25543 3251 1 9 . 1 1 23 23 ARG C C 23 176.236 176.236 179.198 -2.962 25543 3252 1 9 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.212 -1.678 25543 3253 1 9 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.225 -0.068 25543 3254 1 9 . 1 1 23 23 ARG H H 23 7.890 7.890 8.218 -0.328 25543 3255 1 9 . 1 1 24 24 ILE N N 24 121.088 121.088 119.256 1.832 25543 3256 1 9 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.774 0.103 25543 3257 1 9 . 1 1 24 24 ILE C C 24 174.946 174.946 177.689 -2.743 25543 3258 1 9 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.772 -1.158 25543 3259 1 9 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.568 0.647 25543 3260 1 9 . 1 1 24 24 ILE H H 24 8.254 8.254 8.574 -0.320 25543 3261 1 9 . 1 1 25 25 ALA N N 25 124.216 124.216 122.827 1.389 25543 3262 1 9 . 1 1 25 25 ALA HA H 25 4.222 4.222 4.008 0.214 25543 3263 1 9 . 1 1 25 25 ALA C C 25 176.883 176.883 180.067 -3.184 25543 3264 1 9 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.434 -1.361 25543 3265 1 9 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.093 0.384 25543 3266 1 9 . 1 1 25 25 ALA H H 25 8.053 8.053 8.143 -0.090 25543 3267 1 9 . 1 1 26 26 GLN N N 26 118.617 118.617 117.343 1.274 25543 3268 1 9 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.041 0.162 25543 3269 1 9 . 1 1 26 26 GLN C C 26 174.564 174.564 178.869 -4.305 25543 3270 1 9 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.382 -1.163 25543 3271 1 9 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.314 0.555 25543 3272 1 9 . 1 1 26 26 GLN H H 26 8.269 8.269 8.726 -0.457 25543 3273 1 9 . 1 1 27 27 SER N N 27 116.340 116.340 117.141 -0.801 25543 3274 1 9 . 1 1 27 27 SER HA H 27 4.350 4.350 4.121 0.229 25543 3275 1 9 . 1 1 27 27 SER C C 27 172.902 172.902 176.402 -3.500 25543 3276 1 9 . 1 1 27 27 SER CA C 27 59.941 59.941 62.000 -2.059 25543 3277 1 9 . 1 1 27 27 SER CB C 27 63.458 63.458 63.220 0.238 25543 3278 1 9 . 1 1 27 27 SER H H 27 8.195 8.195 8.261 -0.066 25543 3279 1 9 . 1 1 28 28 GLU N N 28 122.168 122.168 121.682 0.486 25543 3280 1 9 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.077 0.090 25543 3281 1 9 . 1 1 28 28 GLU C C 28 174.568 174.568 177.835 -3.267 25543 3282 1 9 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.867 -0.991 25543 3283 1 9 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.949 1.011 25543 3284 1 9 . 1 1 28 28 GLU H H 28 8.316 8.316 8.428 -0.112 25543 3285 1 9 . 1 1 29 29 ALA N N 29 122.950 122.950 121.598 1.352 25543 3286 1 9 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.197 0.006 25543 3287 1 9 . 1 1 29 29 ALA C C 29 176.938 176.938 179.495 -2.557 25543 3288 1 9 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.173 -0.817 25543 3289 1 9 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.811 0.042 25543 3290 1 9 . 1 1 29 29 ALA H H 29 8.029 8.029 7.820 0.209 25543 3291 1 9 . 1 1 30 30 GLU N N 30 119.092 119.092 117.293 1.799 25543 3292 1 9 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.276 -0.122 25543 3293 1 9 . 1 1 30 30 GLU C C 30 174.531 174.531 177.377 -2.846 25543 3294 1 9 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.294 0.795 25543 3295 1 9 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.406 -0.465 25543 3296 1 9 . 1 1 30 30 GLU H H 30 8.104 8.104 7.771 0.334 25543 3297 1 9 . 1 1 31 31 LEU N N 31 122.322 122.322 118.011 4.311 25543 3298 1 9 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.943 0.345 25543 3299 1 9 . 1 1 31 31 LEU C C 31 176.006 176.006 176.045 -0.039 25543 3300 1 9 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.467 -0.769 25543 3301 1 9 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.582 1.536 25543 3302 1 9 . 1 1 31 31 LEU H H 31 8.016 8.016 8.406 -0.390 25543 3303 1 9 . 1 1 32 32 ILE N N 32 121.365 121.365 117.756 3.609 25543 3304 1 9 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.044 0.108 25543 3305 1 9 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.061 -0.717 25543 3306 1 9 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.894 -0.365 25543 3307 1 9 . 1 1 32 32 ILE H H 32 8.050 8.050 7.390 0.660 25543 3308 1 9 . 1 1 33 33 SER N N 33 120.203 120.203 114.398 5.805 25543 3309 1 9 . 1 1 33 33 SER HA H 33 4.409 4.409 4.082 0.327 25543 3310 1 9 . 1 1 33 33 SER CA C 33 58.468 58.468 58.962 -0.494 25543 3311 1 9 . 1 1 33 33 SER CB C 33 64.021 64.021 61.711 2.310 25543 3312 1 9 . 1 1 33 33 SER H H 33 8.391 8.391 8.370 0.021 25543 3313 1 9 . 1 1 34 34 ASP N N 34 123.136 123.136 120.351 2.785 25543 3314 1 9 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.138 0.356 25543 3315 1 9 . 1 1 34 34 ASP C C 34 175.121 175.121 177.697 -2.576 25543 3316 1 9 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.077 -1.397 25543 3317 1 9 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.010 -0.332 25543 3318 1 9 . 1 1 34 34 ASP H H 34 8.629 8.629 8.624 0.005 25543 3319 1 9 . 1 1 35 35 GLU N N 35 121.638 121.638 119.622 2.016 25543 3320 1 9 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.993 0.115 25543 3321 1 9 . 1 1 35 35 GLU C C 35 174.886 174.886 178.036 -3.150 25543 3322 1 9 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.409 -0.824 25543 3323 1 9 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.287 0.246 25543 3324 1 9 . 1 1 35 35 GLU H H 35 8.579 8.579 8.297 0.282 25543 3325 1 9 . 1 1 36 36 ALA N N 36 123.946 123.946 121.782 2.164 25543 3326 1 9 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.950 0.279 25543 3327 1 9 . 1 1 36 36 ALA C C 36 177.012 177.012 179.772 -2.760 25543 3328 1 9 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.260 -1.452 25543 3329 1 9 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.212 0.333 25543 3330 1 9 . 1 1 36 36 ALA H H 36 8.235 8.235 8.147 0.088 25543 3331 1 9 . 1 1 37 37 GLN N N 37 118.885 118.885 118.523 0.362 25543 3332 1 9 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.919 0.207 25543 3333 1 9 . 1 1 37 37 GLN C C 37 174.897 174.897 178.518 -3.621 25543 3334 1 9 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.367 -0.966 25543 3335 1 9 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.896 0.885 25543 3336 1 9 . 1 1 37 37 GLN H H 37 8.295 8.295 7.652 0.643 25543 3337 1 9 . 1 1 38 38 ALA N N 38 124.163 124.163 122.451 1.712 25543 3338 1 9 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.880 0.294 25543 3339 1 9 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.164 -1.068 25543 3340 1 9 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.059 0.397 25543 3341 1 9 . 1 1 38 38 ALA H H 38 8.217 8.217 8.233 -0.016 25543 3342 1 9 . 1 1 39 39 ASP N N 39 119.226 119.226 119.439 -0.213 25543 3343 1 9 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.341 0.135 25543 3344 1 9 . 1 1 39 39 ASP CA C 39 55.844 55.844 56.869 -1.025 25543 3345 1 9 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.592 0.387 25543 3346 1 9 . 1 1 39 39 ASP H H 39 8.145 8.145 8.028 0.117 25543 3347 1 9 . 1 1 40 40 LEU N N 40 121.976 121.976 120.251 1.725 25543 3348 1 9 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.815 0.250 25543 3349 1 9 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.081 -0.951 25543 3350 1 9 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.683 0.279 25543 3351 1 9 . 1 1 40 40 LEU H H 40 8.018 8.018 8.335 -0.317 25543 3352 1 9 . 1 1 41 41 ALA N N 41 121.547 121.547 121.242 0.305 25543 3353 1 9 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.956 0.144 25543 3354 1 9 . 1 1 41 41 ALA CA C 41 54.059 54.059 54.830 -0.771 25543 3355 1 9 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.684 -0.488 25543 3356 1 9 . 1 1 41 41 ALA H H 41 8.076 8.076 7.936 0.140 25543 3357 1 9 . 1 1 42 42 LEU N N 42 119.599 119.599 118.258 1.341 25543 3358 1 9 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.991 0.206 25543 3359 1 9 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.001 -0.599 25543 3360 1 9 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.934 0.092 25543 3361 1 9 . 1 1 42 42 LEU H H 42 7.832 7.832 8.085 -0.253 25543 3362 1 9 . 1 1 43 43 ARG N N 43 120.126 120.126 118.558 1.568 25543 3363 1 9 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.019 0.102 25543 3364 1 9 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.878 -1.200 25543 3365 1 9 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.339 -0.145 25543 3366 1 9 . 1 1 43 43 ARG H H 43 8.047 8.047 8.231 -0.184 25543 3367 1 9 . 1 1 44 44 ARG N N 44 120.206 120.206 119.737 0.469 25543 3368 1 9 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.246 -0.007 25543 3369 1 9 . 1 1 44 44 ARG C C 44 173.165 173.165 177.430 -4.265 25543 3370 1 9 . 1 1 44 44 ARG CA C 44 57.111 57.111 56.945 0.166 25543 3371 1 9 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.892 0.700 25543 3372 1 9 . 1 1 44 44 ARG H H 44 8.206 8.206 8.336 -0.130 25543 3373 1 9 . 1 1 45 45 SER N N 45 116.312 116.312 115.902 0.410 25543 3374 1 9 . 1 1 45 45 SER HA H 45 4.369 4.369 4.312 0.057 25543 3375 1 9 . 1 1 45 45 SER C C 45 170.903 170.903 175.690 -4.787 25543 3376 1 9 . 1 1 45 45 SER CA C 45 59.151 59.151 60.392 -1.240 25543 3377 1 9 . 1 1 45 45 SER CB C 45 63.539 63.539 62.978 0.561 25543 3378 1 9 . 1 1 45 45 SER H H 45 8.171 8.171 7.455 0.716 25543 3379 1 9 . 1 1 46 46 LEU N N 46 123.524 123.524 120.904 2.620 25543 3380 1 9 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.112 0.178 25543 3381 1 9 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.491 -0.772 25543 3382 1 9 . 1 1 46 46 LEU CB C 46 42.071 42.071 40.636 1.435 25543 3383 1 9 . 1 1 46 46 LEU H H 46 8.168 8.168 7.432 0.736 25543 3384 1 9 . 1 1 47 47 ASP N N 47 119.853 119.853 116.517 3.336 25543 3385 1 9 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.322 0.215 25543 3386 1 9 . 1 1 47 47 ASP C C 47 173.143 173.143 176.442 -3.299 25543 3387 1 9 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.402 0.337 25543 3388 1 9 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.714 0.223 25543 3389 1 9 . 1 1 47 47 ASP H H 47 8.154 8.154 7.679 0.475 25543 3390 1 9 . 1 1 48 48 SER N N 48 114.867 114.867 117.491 -2.624 25543 3391 1 9 . 1 1 48 48 SER HA H 48 4.340 4.340 4.332 0.008 25543 3392 1 9 . 1 1 48 48 SER C C 48 170.816 170.816 173.868 -3.052 25543 3393 1 9 . 1 1 48 48 SER CA C 48 58.345 58.345 56.511 1.834 25543 3394 1 9 . 1 1 48 48 SER CB C 48 63.835 63.835 62.110 1.725 25543 3395 1 9 . 1 1 48 48 SER H H 48 7.960 7.960 7.685 0.275 25543 3396 1 9 . 1 1 49 49 TYR N N 49 123.355 123.355 123.518 -0.163 25543 3397 1 9 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.631 0.104 25543 3398 1 9 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.681 1.460 25543 3399 1 9 . 1 1 49 49 TYR CB C 49 38.144 38.144 36.447 1.696 25543 3400 1 9 . 1 1 49 49 TYR H H 49 8.102 8.102 6.481 1.621 25543 3401 1 9 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.505 -0.078 25543 3402 1 9 . 1 1 50 50 PRO C C 50 173.908 173.908 176.067 -2.159 25543 3403 1 9 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.600 0.445 25543 3404 1 9 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.646 -0.754 25543 3405 1 9 . 1 1 51 51 VAL N N 51 120.746 120.746 119.642 1.104 25543 3406 1 9 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.300 -0.212 25543 3407 1 9 . 1 1 51 51 VAL C C 51 173.504 173.504 175.901 -2.397 25543 3408 1 9 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.748 0.554 25543 3409 1 9 . 1 1 51 51 VAL CB C 51 32.866 32.866 33.216 -0.350 25543 3410 1 9 . 1 1 51 51 VAL H H 51 8.270 8.270 8.083 0.187 25543 3411 1 9 . 1 1 52 52 SER N N 52 119.837 119.837 121.567 -1.730 25543 3412 1 9 . 1 1 52 52 SER HA H 52 4.429 4.429 4.534 -0.105 25543 3413 1 9 . 1 1 52 52 SER C C 52 171.799 171.799 174.196 -2.397 25543 3414 1 9 . 1 1 52 52 SER CA C 52 58.088 58.088 57.996 0.092 25543 3415 1 9 . 1 1 52 52 SER CB C 52 63.948 63.948 64.114 -0.166 25543 3416 1 9 . 1 1 52 52 SER H H 52 8.493 8.493 8.325 0.168 25543 3417 1 9 . 1 1 53 53 LYS N N 53 123.948 123.948 123.720 0.228 25543 3418 1 9 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.293 -0.022 25543 3419 1 9 . 1 1 53 53 LYS C C 53 173.547 173.547 176.235 -2.688 25543 3420 1 9 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.870 0.631 25543 3421 1 9 . 1 1 53 53 LYS CB C 53 32.967 32.967 32.922 0.045 25543 3422 1 9 . 1 1 53 53 LYS H H 53 8.531 8.531 8.495 0.036 25543 3423 1 9 . 1 1 54 54 ASN N N 54 119.853 119.853 124.053 -4.200 25543 3424 1 9 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.524 0.175 25543 3425 1 9 . 1 1 54 54 ASN C C 54 172.115 172.115 174.872 -2.757 25543 3426 1 9 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.172 0.040 25543 3427 1 9 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.710 0.091 25543 3428 1 9 . 1 1 54 54 ASN H H 54 8.532 8.532 8.669 -0.137 25543 3429 1 9 . 1 1 55 55 ASP N N 55 121.271 121.271 124.458 -3.187 25543 3430 1 9 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.639 -0.065 25543 3431 1 9 . 1 1 55 55 ASP C C 55 174.105 174.105 177.136 -3.031 25543 3432 1 9 . 1 1 55 55 ASP CA C 55 54.159 54.159 53.106 1.053 25543 3433 1 9 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.793 0.247 25543 3434 1 9 . 1 1 55 55 ASP H H 55 8.297 8.297 8.456 -0.159 25543 3435 1 9 . 1 1 56 56 GLY N N 56 109.368 109.368 108.975 0.393 25543 3436 1 9 . 1 1 56 56 GLY C C 56 171.941 171.941 174.791 -2.850 25543 3437 1 9 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.518 -0.007 25543 3438 1 9 . 1 1 56 56 GLY H H 56 8.497 8.497 8.255 0.242 25543 3439 1 9 . 1 1 57 57 THR N N 57 113.628 113.628 113.775 -0.147 25543 3440 1 9 . 1 1 57 57 THR HA H 57 4.275 4.275 4.292 -0.017 25543 3441 1 9 . 1 1 57 57 THR C C 57 171.744 171.744 174.749 -3.005 25543 3442 1 9 . 1 1 57 57 THR CA C 57 62.240 62.240 61.766 0.474 25543 3443 1 9 . 1 1 57 57 THR CB C 57 69.941 69.941 67.760 2.181 25543 3444 1 9 . 1 1 57 57 THR H H 57 8.156 8.156 8.177 -0.021 25543 3445 1 9 . 1 1 58 58 ARG N N 58 124.521 124.521 125.915 -1.394 25543 3446 1 9 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.732 -0.112 25543 3447 1 9 . 1 1 58 58 ARG C C 58 171.187 171.187 174.498 -3.311 25543 3448 1 9 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.169 -0.200 25543 3449 1 9 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.143 0.003 25543 3450 1 9 . 1 1 58 58 ARG H H 58 8.322 8.322 7.857 0.465 25543 3451 1 9 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.337 0.045 25543 3452 1 9 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.631 0.272 25543 3453 1 9 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.458 -0.265 25543 3454 1 9 . 1 1 60 60 LYS N N 60 122.142 122.142 119.360 2.782 25543 3455 1 9 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.039 0.164 25543 3456 1 9 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.289 0.039 25543 3457 1 9 . 1 1 60 60 LYS CB C 60 32.805 32.805 32.455 0.350 25543 3458 1 9 . 1 1 60 60 LYS H H 60 8.513 8.513 8.383 0.130 25543 3459 1 9 . 1 1 61 61 MET N N 61 122.695 122.695 122.274 0.421 25543 3460 1 9 . 1 1 61 61 MET HA H 61 4.598 4.598 4.659 -0.061 25543 3461 1 9 . 1 1 61 61 MET C C 61 173.077 173.077 175.971 -2.894 25543 3462 1 9 . 1 1 61 61 MET CA C 61 55.296 55.296 54.002 1.294 25543 3463 1 9 . 1 1 61 61 MET CB C 61 34.491 34.491 33.174 1.317 25543 3464 1 9 . 1 1 61 61 MET H H 61 8.446 8.446 8.144 0.302 25543 3465 1 9 . 1 1 62 62 THR N N 62 115.170 115.170 118.208 -3.038 25543 3466 1 9 . 1 1 62 62 THR HA H 62 4.620 4.620 4.615 0.005 25543 3467 1 9 . 1 1 62 62 THR C C 62 170.881 170.881 174.074 -3.193 25543 3468 1 9 . 1 1 62 62 THR CA C 62 59.858 59.858 60.315 -0.457 25543 3469 1 9 . 1 1 62 62 THR CB C 62 68.752 68.752 69.618 -0.866 25543 3470 1 9 . 1 1 62 62 THR H H 62 8.437 8.437 8.411 0.026 25543 3471 1 9 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.044 0.230 25543 3472 1 9 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.707 -0.333 25543 3473 1 9 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.762 0.001 25543 3474 1 9 . 1 1 64 64 GLU N N 64 118.596 118.596 116.746 1.850 25543 3475 1 9 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.049 0.014 25543 3476 1 9 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.751 -0.138 25543 3477 1 9 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.293 -0.276 25543 3478 1 9 . 1 1 64 64 GLU H H 64 8.813 8.813 8.689 0.124 25543 3479 1 9 . 1 1 65 65 GLN N N 65 121.250 121.250 118.840 2.410 25543 3480 1 9 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.979 0.067 25543 3481 1 9 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.129 -1.013 25543 3482 1 9 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.827 -0.116 25543 3483 1 9 . 1 1 65 65 GLN H H 65 7.964 7.964 7.513 0.451 25543 3484 1 9 . 1 1 66 66 MET N N 66 120.082 120.082 117.229 2.853 25543 3485 1 9 . 1 1 66 66 MET HA H 66 4.156 4.156 4.177 -0.021 25543 3486 1 9 . 1 1 66 66 MET CA C 66 58.241 58.241 58.767 -0.526 25543 3487 1 9 . 1 1 66 66 MET CB C 66 32.558 32.558 32.065 0.493 25543 3488 1 9 . 1 1 66 66 MET H H 66 8.429 8.429 8.015 0.414 25543 3489 1 9 . 1 1 67 67 ALA N N 67 122.222 122.222 123.079 -0.857 25543 3490 1 9 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.985 0.172 25543 3491 1 9 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.109 -0.838 25543 3492 1 9 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.147 0.132 25543 3493 1 9 . 1 1 67 67 ALA H H 67 8.106 8.106 8.148 -0.042 25543 3494 1 9 . 1 1 68 68 LYS N N 68 120.031 120.031 119.093 0.938 25543 3495 1 9 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.954 0.173 25543 3496 1 9 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.929 -1.556 25543 3497 1 9 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.432 0.172 25543 3498 1 9 . 1 1 68 68 LYS H H 68 7.815 7.815 8.121 -0.306 25543 3499 1 9 . 1 1 69 69 GLU N N 69 119.896 119.896 119.809 0.087 25543 3500 1 9 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.946 0.177 25543 3501 1 9 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.514 -0.965 25543 3502 1 9 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.486 -0.076 25543 3503 1 9 . 1 1 69 69 GLU H H 69 8.149 8.149 8.477 -0.328 25543 3504 1 9 . 1 1 70 70 MET N N 70 119.261 119.261 119.072 0.189 25543 3505 1 9 . 1 1 70 70 MET HA H 70 4.434 4.434 4.081 0.353 25543 3506 1 9 . 1 1 70 70 MET C C 70 174.607 174.607 178.599 -3.992 25543 3507 1 9 . 1 1 70 70 MET CA C 70 56.884 56.884 59.621 -2.737 25543 3508 1 9 . 1 1 70 70 MET CB C 70 32.159 32.159 32.629 -0.470 25543 3509 1 9 . 1 1 70 70 MET H H 70 8.215 8.215 8.604 -0.389 25543 3510 1 9 . 1 1 71 71 SER N N 71 115.618 115.618 114.886 0.732 25543 3511 1 9 . 1 1 71 71 SER HA H 71 4.265 4.265 4.166 0.099 25543 3512 1 9 . 1 1 71 71 SER CA C 71 60.463 60.463 61.691 -1.228 25543 3513 1 9 . 1 1 71 71 SER CB C 71 63.135 63.135 62.442 0.693 25543 3514 1 9 . 1 1 71 71 SER H H 71 8.161 8.161 8.167 -0.006 25543 3515 1 9 . 1 1 72 72 GLU N N 72 122.328 122.328 121.540 0.788 25543 3516 1 9 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.168 -0.055 25543 3517 1 9 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.720 -0.604 25543 3518 1 9 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.791 -0.364 25543 3519 1 9 . 1 1 72 72 GLU H H 72 8.247 8.247 8.394 -0.147 25543 3520 1 9 . 1 1 73 73 PHE N N 73 120.564 120.564 119.582 0.982 25543 3521 1 9 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.210 0.190 25543 3522 1 9 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.137 -1.640 25543 3523 1 9 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.630 -0.448 25543 3524 1 9 . 1 1 73 73 PHE H H 73 8.126 8.126 8.138 -0.012 25543 3525 1 9 . 1 1 74 74 LEU N N 74 120.761 120.761 116.457 4.304 25543 3526 1 9 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.108 0.044 25543 3527 1 9 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.498 -0.608 25543 3528 1 9 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.892 0.214 25543 3529 1 9 . 1 1 74 74 LEU H H 74 8.127 8.127 8.398 -0.271 25543 3530 1 9 . 1 1 75 75 SER N N 75 115.178 115.178 114.552 0.626 25543 3531 1 9 . 1 1 75 75 SER HA H 75 4.357 4.357 4.183 0.174 25543 3532 1 9 . 1 1 75 75 SER CA C 75 58.921 58.921 58.721 0.200 25543 3533 1 9 . 1 1 75 75 SER CB C 75 63.534 63.534 63.924 -0.390 25543 3534 1 9 . 1 1 75 75 SER H H 75 8.003 8.003 7.638 0.365 25543 3535 1 9 . 1 1 76 76 ARG N N 76 122.367 122.367 124.159 -1.792 25543 3536 1 9 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.387 -0.073 25543 3537 1 9 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.524 -0.118 25543 3538 1 9 . 1 1 76 76 ARG CB C 76 30.832 30.832 31.924 -1.092 25543 3539 1 9 . 1 1 76 76 ARG H H 76 7.985 7.985 8.176 -0.191 25543 3540 1 9 . 1 1 77 77 GLY N N 77 109.723 109.723 113.154 -3.431 25543 3541 1 9 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.591 -0.191 25543 3542 1 9 . 1 1 77 77 GLY H H 77 8.151 8.151 8.422 -0.271 25543 3543 1 9 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.280 0.085 25543 3544 1 9 . 1 1 78 78 PRO C C 78 173.976 173.976 177.384 -3.408 25543 3545 1 9 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.899 0.327 25543 3546 1 9 . 1 1 78 78 PRO CB C 78 32.028 32.028 32.345 -0.317 25543 3547 1 10 . 1 1 7 7 GLN N N 7 120.283 120.283 121.262 -0.979 25543 3548 1 10 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.828 0.307 25543 3549 1 10 . 1 1 7 7 GLN C C 7 174.902 174.902 177.798 -2.896 25543 3550 1 10 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.534 -2.216 25543 3551 1 10 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.320 0.380 25543 3552 1 10 . 1 1 7 7 GLN H H 7 8.340 8.340 8.770 -0.430 25543 3553 1 10 . 1 1 8 8 GLN N N 8 120.710 120.710 116.711 3.999 25543 3554 1 10 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.013 0.034 25543 3555 1 10 . 1 1 8 8 GLN C C 8 174.564 174.564 178.394 -3.830 25543 3556 1 10 . 1 1 8 8 GLN CA C 8 58.101 58.101 59.101 -1.000 25543 3557 1 10 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.731 0.763 25543 3558 1 10 . 1 1 8 8 GLN H H 8 8.434 8.434 8.732 -0.298 25543 3559 1 10 . 1 1 9 9 ALA N N 9 122.740 122.740 122.708 0.032 25543 3560 1 10 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.153 0.040 25543 3561 1 10 . 1 1 9 9 ALA C C 9 177.504 177.504 179.668 -2.164 25543 3562 1 10 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.867 -0.285 25543 3563 1 10 . 1 1 9 9 ALA CB C 9 18.131 18.131 17.910 0.221 25543 3564 1 10 . 1 1 9 9 ALA H H 9 8.144 8.144 7.215 0.929 25543 3565 1 10 . 1 1 10 10 VAL N N 10 120.344 120.344 119.444 0.900 25543 3566 1 10 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.697 0.098 25543 3567 1 10 . 1 1 10 10 VAL C C 10 175.143 175.143 177.897 -2.754 25543 3568 1 10 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.460 -0.034 25543 3569 1 10 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.284 0.784 25543 3570 1 10 . 1 1 10 10 VAL H H 10 7.854 7.854 7.895 -0.041 25543 3571 1 10 . 1 1 11 11 LEU N N 11 121.896 121.896 120.539 1.357 25543 3572 1 10 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.907 0.228 25543 3573 1 10 . 1 1 11 11 LEU C C 11 177.143 177.143 179.411 -2.268 25543 3574 1 10 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.293 -0.603 25543 3575 1 10 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.343 0.300 25543 3576 1 10 . 1 1 11 11 LEU H H 11 7.936 7.936 8.807 -0.871 25543 3577 1 10 . 1 1 12 12 GLU N N 12 120.197 120.197 117.899 2.298 25543 3578 1 10 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.884 0.256 25543 3579 1 10 . 1 1 12 12 GLU C C 12 175.602 175.602 179.232 -3.630 25543 3580 1 10 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.612 -1.106 25543 3581 1 10 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.066 0.191 25543 3582 1 10 . 1 1 12 12 GLU H H 12 8.310 8.310 7.872 0.438 25543 3583 1 10 . 1 1 13 13 GLN N N 13 120.843 120.843 119.481 1.362 25543 3584 1 10 . 1 1 13 13 GLN HA H 13 3.918 3.918 3.993 -0.075 25543 3585 1 10 . 1 1 13 13 GLN C C 13 174.656 174.656 178.313 -3.657 25543 3586 1 10 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.699 -0.278 25543 3587 1 10 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.326 -0.222 25543 3588 1 10 . 1 1 13 13 GLN H H 13 8.073 8.073 8.402 -0.329 25543 3589 1 10 . 1 1 14 14 GLU N N 14 119.589 119.589 119.552 0.037 25543 3590 1 10 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.953 0.145 25543 3591 1 10 . 1 1 14 14 GLU C C 14 176.412 176.412 179.277 -2.865 25543 3592 1 10 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.448 -0.172 25543 3593 1 10 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.386 -0.067 25543 3594 1 10 . 1 1 14 14 GLU H H 14 8.340 8.340 8.451 -0.111 25543 3595 1 10 . 1 1 15 15 ARG N N 15 120.353 120.353 118.199 2.154 25543 3596 1 10 . 1 1 15 15 ARG HA H 15 3.980 3.980 4.009 -0.029 25543 3597 1 10 . 1 1 15 15 ARG C C 15 175.896 175.896 178.875 -2.979 25543 3598 1 10 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.135 0.368 25543 3599 1 10 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.791 0.043 25543 3600 1 10 . 1 1 15 15 ARG H H 15 7.995 7.995 8.179 -0.184 25543 3601 1 10 . 1 1 16 16 ARG N N 16 120.490 120.490 119.161 1.329 25543 3602 1 10 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.086 -0.052 25543 3603 1 10 . 1 1 16 16 ARG C C 16 176.476 176.476 178.304 -1.828 25543 3604 1 10 . 1 1 16 16 ARG CA C 16 59.368 59.368 58.881 0.487 25543 3605 1 10 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.335 0.497 25543 3606 1 10 . 1 1 16 16 ARG H H 16 8.169 8.169 8.297 -0.128 25543 3607 1 10 . 1 1 17 17 ASP N N 17 120.965 120.965 119.626 1.339 25543 3608 1 10 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.291 0.148 25543 3609 1 10 . 1 1 17 17 ASP C C 17 176.291 176.291 178.782 -2.491 25543 3610 1 10 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.586 -0.334 25543 3611 1 10 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.771 -0.862 25543 3612 1 10 . 1 1 17 17 ASP H H 17 8.684 8.684 8.323 0.361 25543 3613 1 10 . 1 1 18 18 ARG N N 18 122.128 122.128 118.635 3.493 25543 3614 1 10 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.099 0.032 25543 3615 1 10 . 1 1 18 18 ARG C C 18 175.897 175.897 178.980 -3.083 25543 3616 1 10 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.882 0.271 25543 3617 1 10 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.074 0.053 25543 3618 1 10 . 1 1 18 18 ARG H H 18 8.183 8.183 8.069 0.114 25543 3619 1 10 . 1 1 19 19 GLU N N 19 120.044 120.044 120.233 -0.189 25543 3620 1 10 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.082 -0.065 25543 3621 1 10 . 1 1 19 19 GLU C C 19 172.902 172.902 179.160 -6.258 25543 3622 1 10 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.268 -0.079 25543 3623 1 10 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.500 -0.196 25543 3624 1 10 . 1 1 19 19 GLU H H 19 8.207 8.207 7.932 0.275 25543 3625 1 10 . 1 1 20 20 LEU N N 20 121.172 121.172 120.271 0.901 25543 3626 1 10 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.923 0.209 25543 3627 1 10 . 1 1 20 20 LEU C C 20 174.935 174.935 178.903 -3.968 25543 3628 1 10 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.219 -0.343 25543 3629 1 10 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.334 0.336 25543 3630 1 10 . 1 1 20 20 LEU H H 20 8.102 8.102 8.744 -0.642 25543 3631 1 10 . 1 1 21 21 ALA N N 21 120.754 120.754 121.270 -0.516 25543 3632 1 10 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.956 0.131 25543 3633 1 10 . 1 1 21 21 ALA C C 21 177.689 177.689 179.866 -2.177 25543 3634 1 10 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.010 -0.340 25543 3635 1 10 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.169 -0.182 25543 3636 1 10 . 1 1 21 21 ALA H H 21 7.864 7.864 7.976 -0.112 25543 3637 1 10 . 1 1 22 22 LEU N N 22 119.357 119.357 119.126 0.231 25543 3638 1 10 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.020 0.157 25543 3639 1 10 . 1 1 22 22 LEU C C 22 175.842 175.842 178.879 -3.037 25543 3640 1 10 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.889 -0.832 25543 3641 1 10 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.958 0.005 25543 3642 1 10 . 1 1 22 22 LEU H H 22 7.901 7.901 7.985 -0.084 25543 3643 1 10 . 1 1 23 23 ARG N N 23 120.416 120.416 119.835 0.581 25543 3644 1 10 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.995 0.156 25543 3645 1 10 . 1 1 23 23 ARG C C 23 176.236 176.236 179.069 -2.833 25543 3646 1 10 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.004 -1.470 25543 3647 1 10 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.186 -0.029 25543 3648 1 10 . 1 1 23 23 ARG H H 23 7.890 7.890 8.070 -0.180 25543 3649 1 10 . 1 1 24 24 ILE N N 24 121.088 121.088 119.425 1.663 25543 3650 1 10 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.681 0.196 25543 3651 1 10 . 1 1 24 24 ILE C C 24 174.946 174.946 177.701 -2.755 25543 3652 1 10 . 1 1 24 24 ILE CA C 24 63.614 63.614 65.338 -1.724 25543 3653 1 10 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.555 0.660 25543 3654 1 10 . 1 1 24 24 ILE H H 24 8.254 8.254 8.406 -0.152 25543 3655 1 10 . 1 1 25 25 ALA N N 25 124.216 124.216 122.546 1.670 25543 3656 1 10 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.961 0.261 25543 3657 1 10 . 1 1 25 25 ALA C C 25 176.883 176.883 179.867 -2.984 25543 3658 1 10 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.486 -1.413 25543 3659 1 10 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.021 0.456 25543 3660 1 10 . 1 1 25 25 ALA H H 25 8.053 8.053 8.238 -0.185 25543 3661 1 10 . 1 1 26 26 GLN N N 26 118.617 118.617 117.392 1.225 25543 3662 1 10 . 1 1 26 26 GLN HA H 26 4.203 4.203 3.978 0.225 25543 3663 1 10 . 1 1 26 26 GLN C C 26 174.564 174.564 178.673 -4.109 25543 3664 1 10 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.796 -1.577 25543 3665 1 10 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.645 0.224 25543 3666 1 10 . 1 1 26 26 GLN H H 26 8.269 8.269 8.292 -0.023 25543 3667 1 10 . 1 1 27 27 SER N N 27 116.340 116.340 116.490 -0.150 25543 3668 1 10 . 1 1 27 27 SER HA H 27 4.350 4.350 4.159 0.191 25543 3669 1 10 . 1 1 27 27 SER C C 27 172.902 172.902 176.397 -3.495 25543 3670 1 10 . 1 1 27 27 SER CA C 27 59.941 59.941 62.112 -2.171 25543 3671 1 10 . 1 1 27 27 SER CB C 27 63.458 63.458 63.232 0.226 25543 3672 1 10 . 1 1 27 27 SER H H 27 8.195 8.195 8.277 -0.082 25543 3673 1 10 . 1 1 28 28 GLU N N 28 122.168 122.168 121.512 0.656 25543 3674 1 10 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.101 0.066 25543 3675 1 10 . 1 1 28 28 GLU C C 28 174.568 174.568 178.320 -3.752 25543 3676 1 10 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.780 -0.904 25543 3677 1 10 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.890 1.070 25543 3678 1 10 . 1 1 28 28 GLU H H 28 8.316 8.316 8.689 -0.373 25543 3679 1 10 . 1 1 29 29 ALA N N 29 122.950 122.950 122.258 0.692 25543 3680 1 10 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.191 0.012 25543 3681 1 10 . 1 1 29 29 ALA C C 29 176.938 176.938 179.469 -2.531 25543 3682 1 10 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.050 -0.693 25543 3683 1 10 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.098 -0.245 25543 3684 1 10 . 1 1 29 29 ALA H H 29 8.029 8.029 7.851 0.178 25543 3685 1 10 . 1 1 30 30 GLU N N 30 119.092 119.092 116.670 2.422 25543 3686 1 10 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.222 -0.068 25543 3687 1 10 . 1 1 30 30 GLU C C 30 174.531 174.531 177.366 -2.835 25543 3688 1 10 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.502 0.587 25543 3689 1 10 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.384 -0.443 25543 3690 1 10 . 1 1 30 30 GLU H H 30 8.104 8.104 7.851 0.253 25543 3691 1 10 . 1 1 31 31 LEU N N 31 122.322 122.322 119.895 2.427 25543 3692 1 10 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.027 0.261 25543 3693 1 10 . 1 1 31 31 LEU C C 31 176.006 176.006 176.038 -0.032 25543 3694 1 10 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.848 -0.150 25543 3695 1 10 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.646 1.472 25543 3696 1 10 . 1 1 31 31 LEU H H 31 8.016 8.016 8.122 -0.106 25543 3697 1 10 . 1 1 32 32 ILE N N 32 121.365 121.365 116.467 4.898 25543 3698 1 10 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.092 0.060 25543 3699 1 10 . 1 1 32 32 ILE CA C 32 61.344 61.344 61.306 0.038 25543 3700 1 10 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.540 -0.011 25543 3701 1 10 . 1 1 32 32 ILE H H 32 8.050 8.050 7.637 0.413 25543 3702 1 10 . 1 1 33 33 SER N N 33 120.203 120.203 117.887 2.316 25543 3703 1 10 . 1 1 33 33 SER HA H 33 4.409 4.409 4.330 0.079 25543 3704 1 10 . 1 1 33 33 SER CA C 33 58.468 58.468 58.544 -0.076 25543 3705 1 10 . 1 1 33 33 SER CB C 33 64.021 64.021 61.249 2.772 25543 3706 1 10 . 1 1 33 33 SER H H 33 8.391 8.391 8.282 0.109 25543 3707 1 10 . 1 1 34 34 ASP N N 34 123.136 123.136 124.371 -1.235 25543 3708 1 10 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.223 0.271 25543 3709 1 10 . 1 1 34 34 ASP C C 34 175.121 175.121 177.794 -2.673 25543 3710 1 10 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.315 -1.635 25543 3711 1 10 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.476 0.202 25543 3712 1 10 . 1 1 34 34 ASP H H 34 8.629 8.629 8.848 -0.219 25543 3713 1 10 . 1 1 35 35 GLU N N 35 121.638 121.638 120.507 1.131 25543 3714 1 10 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.896 0.212 25543 3715 1 10 . 1 1 35 35 GLU C C 35 174.886 174.886 178.077 -3.191 25543 3716 1 10 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.158 -0.574 25543 3717 1 10 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.478 0.055 25543 3718 1 10 . 1 1 35 35 GLU H H 35 8.579 8.579 8.513 0.066 25543 3719 1 10 . 1 1 36 36 ALA N N 36 123.946 123.946 121.694 2.252 25543 3720 1 10 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.972 0.257 25543 3721 1 10 . 1 1 36 36 ALA C C 36 177.012 177.012 179.739 -2.727 25543 3722 1 10 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.477 -1.669 25543 3723 1 10 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.063 0.482 25543 3724 1 10 . 1 1 36 36 ALA H H 36 8.235 8.235 7.651 0.584 25543 3725 1 10 . 1 1 37 37 GLN N N 37 118.885 118.885 118.385 0.500 25543 3726 1 10 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.998 0.128 25543 3727 1 10 . 1 1 37 37 GLN C C 37 174.897 174.897 178.623 -3.726 25543 3728 1 10 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.435 -1.034 25543 3729 1 10 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.887 0.895 25543 3730 1 10 . 1 1 37 37 GLN H H 37 8.295 8.295 7.607 0.688 25543 3731 1 10 . 1 1 38 38 ALA N N 38 124.163 124.163 122.912 1.251 25543 3732 1 10 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.938 0.236 25543 3733 1 10 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.161 -1.065 25543 3734 1 10 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.137 0.318 25543 3735 1 10 . 1 1 38 38 ALA H H 38 8.217 8.217 8.434 -0.217 25543 3736 1 10 . 1 1 39 39 ASP N N 39 119.226 119.226 119.505 -0.279 25543 3737 1 10 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.329 0.147 25543 3738 1 10 . 1 1 39 39 ASP CA C 39 55.844 55.844 56.890 -1.046 25543 3739 1 10 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.693 0.286 25543 3740 1 10 . 1 1 39 39 ASP H H 39 8.145 8.145 7.964 0.181 25543 3741 1 10 . 1 1 40 40 LEU N N 40 121.976 121.976 120.105 1.871 25543 3742 1 10 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.833 0.232 25543 3743 1 10 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.164 -1.034 25543 3744 1 10 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.675 0.288 25543 3745 1 10 . 1 1 40 40 LEU H H 40 8.018 8.018 8.133 -0.115 25543 3746 1 10 . 1 1 41 41 ALA N N 41 121.547 121.547 121.447 0.100 25543 3747 1 10 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.996 0.104 25543 3748 1 10 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.069 -1.010 25543 3749 1 10 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.289 -0.093 25543 3750 1 10 . 1 1 41 41 ALA H H 41 8.076 8.076 8.052 0.024 25543 3751 1 10 . 1 1 42 42 LEU N N 42 119.599 119.599 117.978 1.621 25543 3752 1 10 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.054 0.143 25543 3753 1 10 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.367 -0.965 25543 3754 1 10 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.720 0.306 25543 3755 1 10 . 1 1 42 42 LEU H H 42 7.832 7.832 8.132 -0.300 25543 3756 1 10 . 1 1 43 43 ARG N N 43 120.126 120.126 119.740 0.386 25543 3757 1 10 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.089 0.032 25543 3758 1 10 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.777 -1.099 25543 3759 1 10 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.814 -0.620 25543 3760 1 10 . 1 1 43 43 ARG H H 43 8.047 8.047 8.160 -0.113 25543 3761 1 10 . 1 1 44 44 ARG N N 44 120.206 120.206 116.290 3.916 25543 3762 1 10 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.177 0.062 25543 3763 1 10 . 1 1 44 44 ARG C C 44 173.165 173.165 177.268 -4.103 25543 3764 1 10 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.419 -0.307 25543 3765 1 10 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.882 0.710 25543 3766 1 10 . 1 1 44 44 ARG H H 44 8.206 8.206 8.083 0.123 25543 3767 1 10 . 1 1 45 45 SER N N 45 116.312 116.312 115.401 0.911 25543 3768 1 10 . 1 1 45 45 SER HA H 45 4.369 4.369 4.222 0.147 25543 3769 1 10 . 1 1 45 45 SER C C 45 170.903 170.903 175.847 -4.944 25543 3770 1 10 . 1 1 45 45 SER CA C 45 59.151 59.151 58.337 0.814 25543 3771 1 10 . 1 1 45 45 SER CB C 45 63.539 63.539 64.371 -0.832 25543 3772 1 10 . 1 1 45 45 SER H H 45 8.171 8.171 7.695 0.476 25543 3773 1 10 . 1 1 46 46 LEU N N 46 123.524 123.524 125.513 -1.989 25543 3774 1 10 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.051 0.239 25543 3775 1 10 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.426 -0.707 25543 3776 1 10 . 1 1 46 46 LEU CB C 46 42.071 42.071 41.957 0.114 25543 3777 1 10 . 1 1 46 46 LEU H H 46 8.168 8.168 8.662 -0.494 25543 3778 1 10 . 1 1 47 47 ASP N N 47 119.853 119.853 118.805 1.048 25543 3779 1 10 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.496 0.041 25543 3780 1 10 . 1 1 47 47 ASP C C 47 173.143 173.143 176.873 -3.730 25543 3781 1 10 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.743 -1.004 25543 3782 1 10 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.669 1.268 25543 3783 1 10 . 1 1 47 47 ASP H H 47 8.154 8.154 8.002 0.152 25543 3784 1 10 . 1 1 48 48 SER N N 48 114.867 114.867 113.442 1.425 25543 3785 1 10 . 1 1 48 48 SER HA H 48 4.340 4.340 4.525 -0.185 25543 3786 1 10 . 1 1 48 48 SER C C 48 170.816 170.816 174.469 -3.653 25543 3787 1 10 . 1 1 48 48 SER CA C 48 58.345 58.345 58.361 -0.016 25543 3788 1 10 . 1 1 48 48 SER CB C 48 63.835 63.835 64.175 -0.340 25543 3789 1 10 . 1 1 48 48 SER H H 48 7.960 7.960 7.620 0.340 25543 3790 1 10 . 1 1 49 49 TYR N N 49 123.355 123.355 123.687 -0.332 25543 3791 1 10 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.590 0.145 25543 3792 1 10 . 1 1 49 49 TYR CA C 49 56.141 56.141 56.665 -0.524 25543 3793 1 10 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.736 0.408 25543 3794 1 10 . 1 1 49 49 TYR H H 49 8.102 8.102 7.807 0.295 25543 3795 1 10 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.539 -0.112 25543 3796 1 10 . 1 1 50 50 PRO C C 50 173.908 173.908 175.543 -1.635 25543 3797 1 10 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.804 0.241 25543 3798 1 10 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.706 -0.814 25543 3799 1 10 . 1 1 51 51 VAL N N 51 120.746 120.746 119.201 1.545 25543 3800 1 10 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.279 -0.191 25543 3801 1 10 . 1 1 51 51 VAL C C 51 173.504 173.504 175.629 -2.125 25543 3802 1 10 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.744 0.558 25543 3803 1 10 . 1 1 51 51 VAL CB C 51 32.866 32.866 33.798 -0.932 25543 3804 1 10 . 1 1 51 51 VAL H H 51 8.270 8.270 8.127 0.143 25543 3805 1 10 . 1 1 52 52 SER N N 52 119.837 119.837 121.970 -2.133 25543 3806 1 10 . 1 1 52 52 SER HA H 52 4.429 4.429 4.545 -0.116 25543 3807 1 10 . 1 1 52 52 SER C C 52 171.799 171.799 173.927 -2.128 25543 3808 1 10 . 1 1 52 52 SER CA C 52 58.088 58.088 58.866 -0.778 25543 3809 1 10 . 1 1 52 52 SER CB C 52 63.948 63.948 63.451 0.497 25543 3810 1 10 . 1 1 52 52 SER H H 52 8.493 8.493 8.442 0.051 25543 3811 1 10 . 1 1 53 53 LYS N N 53 123.948 123.948 123.821 0.127 25543 3812 1 10 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.435 -0.164 25543 3813 1 10 . 1 1 53 53 LYS C C 53 173.547 173.547 175.323 -1.776 25543 3814 1 10 . 1 1 53 53 LYS CA C 53 56.500 56.500 54.791 1.709 25543 3815 1 10 . 1 1 53 53 LYS CB C 53 32.967 32.967 34.238 -1.271 25543 3816 1 10 . 1 1 53 53 LYS H H 53 8.531 8.531 8.412 0.119 25543 3817 1 10 . 1 1 54 54 ASN N N 54 119.853 119.853 120.839 -0.986 25543 3818 1 10 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.527 0.172 25543 3819 1 10 . 1 1 54 54 ASN C C 54 172.115 172.115 175.425 -3.310 25543 3820 1 10 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.051 -0.839 25543 3821 1 10 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.085 0.716 25543 3822 1 10 . 1 1 54 54 ASN H H 54 8.532 8.532 8.532 0.000 25543 3823 1 10 . 1 1 55 55 ASP N N 55 121.271 121.271 126.548 -5.277 25543 3824 1 10 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.681 -0.106 25543 3825 1 10 . 1 1 55 55 ASP C C 55 174.105 174.105 177.122 -3.017 25543 3826 1 10 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.785 -0.626 25543 3827 1 10 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.167 -0.127 25543 3828 1 10 . 1 1 55 55 ASP H H 55 8.297 8.297 8.190 0.107 25543 3829 1 10 . 1 1 56 56 GLY N N 56 109.368 109.368 108.888 0.480 25543 3830 1 10 . 1 1 56 56 GLY C C 56 171.941 171.941 174.478 -2.537 25543 3831 1 10 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.071 0.441 25543 3832 1 10 . 1 1 56 56 GLY H H 56 8.497 8.497 8.457 0.040 25543 3833 1 10 . 1 1 57 57 THR N N 57 113.628 113.628 113.909 -0.281 25543 3834 1 10 . 1 1 57 57 THR HA H 57 4.275 4.275 4.184 0.091 25543 3835 1 10 . 1 1 57 57 THR C C 57 171.744 171.744 175.032 -3.288 25543 3836 1 10 . 1 1 57 57 THR CA C 57 62.240 62.240 62.057 0.183 25543 3837 1 10 . 1 1 57 57 THR CB C 57 69.941 69.941 68.460 1.481 25543 3838 1 10 . 1 1 57 57 THR H H 57 8.156 8.156 8.054 0.102 25543 3839 1 10 . 1 1 58 58 ARG N N 58 124.521 124.521 127.524 -3.003 25543 3840 1 10 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.522 0.098 25543 3841 1 10 . 1 1 58 58 ARG C C 58 171.187 171.187 175.482 -4.295 25543 3842 1 10 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.844 -0.875 25543 3843 1 10 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.602 0.544 25543 3844 1 10 . 1 1 58 58 ARG H H 58 8.322 8.322 7.995 0.327 25543 3845 1 10 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.533 -0.151 25543 3846 1 10 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.569 0.334 25543 3847 1 10 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.603 -0.410 25543 3848 1 10 . 1 1 60 60 LYS N N 60 122.142 122.142 119.339 2.803 25543 3849 1 10 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.554 -0.351 25543 3850 1 10 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.313 1.015 25543 3851 1 10 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.407 -0.602 25543 3852 1 10 . 1 1 60 60 LYS H H 60 8.513 8.513 8.238 0.275 25543 3853 1 10 . 1 1 61 61 MET N N 61 122.695 122.695 119.849 2.846 25543 3854 1 10 . 1 1 61 61 MET HA H 61 4.598 4.598 4.695 -0.097 25543 3855 1 10 . 1 1 61 61 MET C C 61 173.077 173.077 176.028 -2.951 25543 3856 1 10 . 1 1 61 61 MET CA C 61 55.296 55.296 54.931 0.365 25543 3857 1 10 . 1 1 61 61 MET CB C 61 34.491 34.491 34.623 -0.132 25543 3858 1 10 . 1 1 61 61 MET H H 61 8.446 8.446 8.391 0.055 25543 3859 1 10 . 1 1 62 62 THR N N 62 115.170 115.170 115.942 -0.772 25543 3860 1 10 . 1 1 62 62 THR HA H 62 4.620 4.620 4.697 -0.077 25543 3861 1 10 . 1 1 62 62 THR C C 62 170.881 170.881 174.273 -3.392 25543 3862 1 10 . 1 1 62 62 THR CA C 62 59.858 59.858 58.242 1.616 25543 3863 1 10 . 1 1 62 62 THR CB C 62 68.752 68.752 69.790 -1.038 25543 3864 1 10 . 1 1 62 62 THR H H 62 8.437 8.437 8.302 0.135 25543 3865 1 10 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.033 0.241 25543 3866 1 10 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.637 -0.263 25543 3867 1 10 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.805 -0.042 25543 3868 1 10 . 1 1 64 64 GLU N N 64 118.596 118.596 117.635 0.961 25543 3869 1 10 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.974 0.089 25543 3870 1 10 . 1 1 64 64 GLU CA C 64 59.613 59.613 60.016 -0.403 25543 3871 1 10 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.320 -0.303 25543 3872 1 10 . 1 1 64 64 GLU H H 64 8.813 8.813 8.616 0.197 25543 3873 1 10 . 1 1 65 65 GLN N N 65 121.250 121.250 118.623 2.627 25543 3874 1 10 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.930 0.116 25543 3875 1 10 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.919 -0.803 25543 3876 1 10 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.687 0.024 25543 3877 1 10 . 1 1 65 65 GLN H H 65 7.964 7.964 7.649 0.315 25543 3878 1 10 . 1 1 66 66 MET N N 66 120.082 120.082 118.524 1.558 25543 3879 1 10 . 1 1 66 66 MET HA H 66 4.156 4.156 4.111 0.045 25543 3880 1 10 . 1 1 66 66 MET CA C 66 58.241 58.241 59.325 -1.084 25543 3881 1 10 . 1 1 66 66 MET CB C 66 32.558 32.558 32.374 0.184 25543 3882 1 10 . 1 1 66 66 MET H H 66 8.429 8.429 7.759 0.670 25543 3883 1 10 . 1 1 67 67 ALA N N 67 122.222 122.222 121.917 0.305 25543 3884 1 10 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.951 0.206 25543 3885 1 10 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.269 -0.998 25543 3886 1 10 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.128 0.150 25543 3887 1 10 . 1 1 67 67 ALA H H 67 8.106 8.106 8.329 -0.223 25543 3888 1 10 . 1 1 68 68 LYS N N 68 120.031 120.031 119.260 0.771 25543 3889 1 10 . 1 1 68 68 LYS HA H 68 4.127 4.127 4.004 0.123 25543 3890 1 10 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.756 -1.383 25543 3891 1 10 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.475 0.129 25543 3892 1 10 . 1 1 68 68 LYS H H 68 7.815 7.815 8.351 -0.536 25543 3893 1 10 . 1 1 69 69 GLU N N 69 119.896 119.896 119.274 0.622 25543 3894 1 10 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.975 0.148 25543 3895 1 10 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.614 -1.065 25543 3896 1 10 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.538 -0.128 25543 3897 1 10 . 1 1 69 69 GLU H H 69 8.149 8.149 8.631 -0.482 25543 3898 1 10 . 1 1 70 70 MET N N 70 119.261 119.261 118.255 1.006 25543 3899 1 10 . 1 1 70 70 MET HA H 70 4.434 4.434 4.120 0.314 25543 3900 1 10 . 1 1 70 70 MET C C 70 174.607 174.607 178.592 -3.985 25543 3901 1 10 . 1 1 70 70 MET CA C 70 56.884 56.884 59.552 -2.668 25543 3902 1 10 . 1 1 70 70 MET CB C 70 32.159 32.159 32.703 -0.544 25543 3903 1 10 . 1 1 70 70 MET H H 70 8.215 8.215 8.614 -0.399 25543 3904 1 10 . 1 1 71 71 SER N N 71 115.618 115.618 115.438 0.180 25543 3905 1 10 . 1 1 71 71 SER HA H 71 4.265 4.265 4.078 0.187 25543 3906 1 10 . 1 1 71 71 SER CA C 71 60.463 60.463 62.063 -1.600 25543 3907 1 10 . 1 1 71 71 SER CB C 71 63.135 63.135 62.750 0.385 25543 3908 1 10 . 1 1 71 71 SER H H 71 8.161 8.161 8.392 -0.231 25543 3909 1 10 . 1 1 72 72 GLU N N 72 122.328 122.328 121.176 1.152 25543 3910 1 10 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.098 0.015 25543 3911 1 10 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.615 -0.499 25543 3912 1 10 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.791 -0.364 25543 3913 1 10 . 1 1 72 72 GLU H H 72 8.247 8.247 8.278 -0.031 25543 3914 1 10 . 1 1 73 73 PHE N N 73 120.564 120.564 118.836 1.728 25543 3915 1 10 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.277 0.123 25543 3916 1 10 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.953 -1.456 25543 3917 1 10 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.655 -0.473 25543 3918 1 10 . 1 1 73 73 PHE H H 73 8.126 8.126 7.812 0.314 25543 3919 1 10 . 1 1 74 74 LEU N N 74 120.761 120.761 117.331 3.430 25543 3920 1 10 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.019 0.133 25543 3921 1 10 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.706 -0.816 25543 3922 1 10 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.581 0.525 25543 3923 1 10 . 1 1 74 74 LEU H H 74 8.127 8.127 8.539 -0.412 25543 3924 1 10 . 1 1 75 75 SER N N 75 115.178 115.178 113.852 1.326 25543 3925 1 10 . 1 1 75 75 SER HA H 75 4.357 4.357 4.362 -0.005 25543 3926 1 10 . 1 1 75 75 SER CA C 75 58.921 58.921 58.005 0.916 25543 3927 1 10 . 1 1 75 75 SER CB C 75 63.534 63.534 63.808 -0.274 25543 3928 1 10 . 1 1 75 75 SER H H 75 8.003 8.003 7.456 0.547 25543 3929 1 10 . 1 1 76 76 ARG N N 76 122.367 122.367 120.452 1.915 25543 3930 1 10 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.271 0.043 25543 3931 1 10 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.195 0.211 25543 3932 1 10 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.240 0.592 25543 3933 1 10 . 1 1 76 76 ARG H H 76 7.985 7.985 8.523 -0.538 25543 3934 1 10 . 1 1 77 77 GLY N N 77 109.723 109.723 106.656 3.067 25543 3935 1 10 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.207 0.193 25543 3936 1 10 . 1 1 77 77 GLY H H 77 8.151 8.151 8.087 0.064 25543 3937 1 10 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.476 -0.111 25543 3938 1 10 . 1 1 78 78 PRO C C 78 173.976 173.976 175.984 -2.008 25543 3939 1 10 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.775 0.451 25543 3940 1 10 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.581 0.447 25543 3941 1 11 . 1 1 7 7 GLN N N 7 120.283 120.283 121.832 -1.549 25543 3942 1 11 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.932 0.203 25543 3943 1 11 . 1 1 7 7 GLN C C 7 174.902 174.902 178.053 -3.151 25543 3944 1 11 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.070 -1.752 25543 3945 1 11 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.095 0.605 25543 3946 1 11 . 1 1 7 7 GLN H H 7 8.340 8.340 8.817 -0.477 25543 3947 1 11 . 1 1 8 8 GLN N N 8 120.710 120.710 117.081 3.629 25543 3948 1 11 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.036 0.011 25543 3949 1 11 . 1 1 8 8 GLN C C 8 174.564 174.564 178.141 -3.577 25543 3950 1 11 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.679 -0.578 25543 3951 1 11 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.755 0.739 25543 3952 1 11 . 1 1 8 8 GLN H H 8 8.434 8.434 8.770 -0.336 25543 3953 1 11 . 1 1 9 9 ALA N N 9 122.740 122.740 123.284 -0.544 25543 3954 1 11 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.055 0.138 25543 3955 1 11 . 1 1 9 9 ALA C C 9 177.504 177.504 179.346 -1.842 25543 3956 1 11 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.892 -0.310 25543 3957 1 11 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.221 -0.090 25543 3958 1 11 . 1 1 9 9 ALA H H 9 8.144 8.144 7.592 0.552 25543 3959 1 11 . 1 1 10 10 VAL N N 10 120.344 120.344 119.671 0.673 25543 3960 1 11 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.680 0.115 25543 3961 1 11 . 1 1 10 10 VAL C C 10 175.143 175.143 177.807 -2.664 25543 3962 1 11 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.395 0.031 25543 3963 1 11 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.372 0.696 25543 3964 1 11 . 1 1 10 10 VAL H H 10 7.854 7.854 7.902 -0.048 25543 3965 1 11 . 1 1 11 11 LEU N N 11 121.896 121.896 119.769 2.127 25543 3966 1 11 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.769 0.366 25543 3967 1 11 . 1 1 11 11 LEU C C 11 177.143 177.143 178.683 -1.540 25543 3968 1 11 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.585 -0.895 25543 3969 1 11 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.333 0.311 25543 3970 1 11 . 1 1 11 11 LEU H H 11 7.936 7.936 8.779 -0.843 25543 3971 1 11 . 1 1 12 12 GLU N N 12 120.197 120.197 118.512 1.685 25543 3972 1 11 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.858 0.282 25543 3973 1 11 . 1 1 12 12 GLU C C 12 175.602 175.602 179.008 -3.406 25543 3974 1 11 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.680 -1.174 25543 3975 1 11 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.284 -0.027 25543 3976 1 11 . 1 1 12 12 GLU H H 12 8.310 8.310 7.949 0.361 25543 3977 1 11 . 1 1 13 13 GLN N N 13 120.843 120.843 119.034 1.809 25543 3978 1 11 . 1 1 13 13 GLN HA H 13 3.918 3.918 3.986 -0.068 25543 3979 1 11 . 1 1 13 13 GLN C C 13 174.656 174.656 178.581 -3.925 25543 3980 1 11 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.854 -0.433 25543 3981 1 11 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.251 -0.147 25543 3982 1 11 . 1 1 13 13 GLN H H 13 8.073 8.073 8.394 -0.321 25543 3983 1 11 . 1 1 14 14 GLU N N 14 119.589 119.589 119.446 0.143 25543 3984 1 11 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.017 0.081 25543 3985 1 11 . 1 1 14 14 GLU C C 14 176.412 176.412 179.105 -2.693 25543 3986 1 11 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.380 -0.104 25543 3987 1 11 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.250 0.069 25543 3988 1 11 . 1 1 14 14 GLU H H 14 8.340 8.340 8.193 0.147 25543 3989 1 11 . 1 1 15 15 ARG N N 15 120.353 120.353 119.591 0.762 25543 3990 1 11 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.979 0.001 25543 3991 1 11 . 1 1 15 15 ARG C C 15 175.896 175.896 178.650 -2.754 25543 3992 1 11 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.202 0.301 25543 3993 1 11 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.857 -0.023 25543 3994 1 11 . 1 1 15 15 ARG H H 15 7.995 7.995 8.407 -0.412 25543 3995 1 11 . 1 1 16 16 ARG N N 16 120.490 120.490 120.058 0.432 25543 3996 1 11 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.286 -0.252 25543 3997 1 11 . 1 1 16 16 ARG C C 16 176.476 176.476 178.411 -1.935 25543 3998 1 11 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.411 -0.043 25543 3999 1 11 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.953 -0.121 25543 4000 1 11 . 1 1 16 16 ARG H H 16 8.169 8.169 8.409 -0.240 25543 4001 1 11 . 1 1 17 17 ASP N N 17 120.965 120.965 119.261 1.704 25543 4002 1 11 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.286 0.153 25543 4003 1 11 . 1 1 17 17 ASP C C 17 176.291 176.291 178.705 -2.414 25543 4004 1 11 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.514 -0.262 25543 4005 1 11 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.765 -0.856 25543 4006 1 11 . 1 1 17 17 ASP H H 17 8.684 8.684 8.202 0.482 25543 4007 1 11 . 1 1 18 18 ARG N N 18 122.128 122.128 119.066 3.062 25543 4008 1 11 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.983 0.148 25543 4009 1 11 . 1 1 18 18 ARG C C 18 175.897 175.897 178.761 -2.864 25543 4010 1 11 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.515 -0.362 25543 4011 1 11 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.286 -0.159 25543 4012 1 11 . 1 1 18 18 ARG H H 18 8.183 8.183 8.364 -0.181 25543 4013 1 11 . 1 1 19 19 GLU N N 19 120.044 120.044 120.274 -0.230 25543 4014 1 11 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.930 0.087 25543 4015 1 11 . 1 1 19 19 GLU C C 19 172.902 172.902 179.245 -6.343 25543 4016 1 11 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.572 -0.383 25543 4017 1 11 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.482 -0.178 25543 4018 1 11 . 1 1 19 19 GLU H H 19 8.207 8.207 8.098 0.109 25543 4019 1 11 . 1 1 20 20 LEU N N 20 121.172 121.172 119.869 1.303 25543 4020 1 11 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.942 0.190 25543 4021 1 11 . 1 1 20 20 LEU C C 20 174.935 174.935 178.983 -4.048 25543 4022 1 11 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.197 -0.321 25543 4023 1 11 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.075 0.594 25543 4024 1 11 . 1 1 20 20 LEU H H 20 8.102 8.102 8.165 -0.063 25543 4025 1 11 . 1 1 21 21 ALA N N 21 120.754 120.754 121.607 -0.853 25543 4026 1 11 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.914 0.173 25543 4027 1 11 . 1 1 21 21 ALA C C 21 177.689 177.689 180.038 -2.349 25543 4028 1 11 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.041 -0.371 25543 4029 1 11 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.088 -0.101 25543 4030 1 11 . 1 1 21 21 ALA H H 21 7.864 7.864 7.955 -0.091 25543 4031 1 11 . 1 1 22 22 LEU N N 22 119.357 119.357 118.660 0.697 25543 4032 1 11 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.047 0.130 25543 4033 1 11 . 1 1 22 22 LEU C C 22 175.842 175.842 178.687 -2.845 25543 4034 1 11 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.242 -1.185 25543 4035 1 11 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.920 0.043 25543 4036 1 11 . 1 1 22 22 LEU H H 22 7.901 7.901 8.550 -0.649 25543 4037 1 11 . 1 1 23 23 ARG N N 23 120.416 120.416 119.281 1.135 25543 4038 1 11 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.987 0.164 25543 4039 1 11 . 1 1 23 23 ARG C C 23 176.236 176.236 179.095 -2.859 25543 4040 1 11 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.743 -1.209 25543 4041 1 11 . 1 1 23 23 ARG CB C 23 30.157 30.157 29.986 0.171 25543 4042 1 11 . 1 1 23 23 ARG H H 23 7.890 7.890 7.876 0.014 25543 4043 1 11 . 1 1 24 24 ILE N N 24 121.088 121.088 119.550 1.538 25543 4044 1 11 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.702 0.175 25543 4045 1 11 . 1 1 24 24 ILE C C 24 174.946 174.946 177.653 -2.707 25543 4046 1 11 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.865 -1.252 25543 4047 1 11 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.462 0.753 25543 4048 1 11 . 1 1 24 24 ILE H H 24 8.254 8.254 8.507 -0.253 25543 4049 1 11 . 1 1 25 25 ALA N N 25 124.216 124.216 123.521 0.695 25543 4050 1 11 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.916 0.306 25543 4051 1 11 . 1 1 25 25 ALA C C 25 176.883 176.883 179.745 -2.862 25543 4052 1 11 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.294 -1.222 25543 4053 1 11 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.083 0.394 25543 4054 1 11 . 1 1 25 25 ALA H H 25 8.053 8.053 8.111 -0.058 25543 4055 1 11 . 1 1 26 26 GLN N N 26 118.617 118.617 117.506 1.111 25543 4056 1 11 . 1 1 26 26 GLN HA H 26 4.203 4.203 3.943 0.260 25543 4057 1 11 . 1 1 26 26 GLN C C 26 174.564 174.564 178.694 -4.130 25543 4058 1 11 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.869 -1.650 25543 4059 1 11 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.678 0.191 25543 4060 1 11 . 1 1 26 26 GLN H H 26 8.269 8.269 8.412 -0.143 25543 4061 1 11 . 1 1 27 27 SER N N 27 116.340 116.340 116.326 0.014 25543 4062 1 11 . 1 1 27 27 SER HA H 27 4.350 4.350 4.157 0.193 25543 4063 1 11 . 1 1 27 27 SER C C 27 172.902 172.902 176.314 -3.412 25543 4064 1 11 . 1 1 27 27 SER CA C 27 59.941 59.941 61.740 -1.799 25543 4065 1 11 . 1 1 27 27 SER CB C 27 63.458 63.458 63.004 0.454 25543 4066 1 11 . 1 1 27 27 SER H H 27 8.195 8.195 8.206 -0.011 25543 4067 1 11 . 1 1 28 28 GLU N N 28 122.168 122.168 121.589 0.579 25543 4068 1 11 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.125 0.042 25543 4069 1 11 . 1 1 28 28 GLU C C 28 174.568 174.568 177.991 -3.423 25543 4070 1 11 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.732 -0.856 25543 4071 1 11 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.087 0.873 25543 4072 1 11 . 1 1 28 28 GLU H H 28 8.316 8.316 8.657 -0.341 25543 4073 1 11 . 1 1 29 29 ALA N N 29 122.950 122.950 121.777 1.173 25543 4074 1 11 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.288 -0.085 25543 4075 1 11 . 1 1 29 29 ALA C C 29 176.938 176.938 179.165 -2.227 25543 4076 1 11 . 1 1 29 29 ALA CA C 29 53.357 53.357 53.817 -0.460 25543 4077 1 11 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.385 -0.532 25543 4078 1 11 . 1 1 29 29 ALA H H 29 8.029 8.029 7.906 0.123 25543 4079 1 11 . 1 1 30 30 GLU N N 30 119.092 119.092 116.444 2.648 25543 4080 1 11 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.362 -0.208 25543 4081 1 11 . 1 1 30 30 GLU C C 30 174.531 174.531 177.287 -2.756 25543 4082 1 11 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.342 0.747 25543 4083 1 11 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.824 -0.883 25543 4084 1 11 . 1 1 30 30 GLU H H 30 8.104 8.104 7.806 0.298 25543 4085 1 11 . 1 1 31 31 LEU N N 31 122.322 122.322 119.049 3.273 25543 4086 1 11 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.993 0.295 25543 4087 1 11 . 1 1 31 31 LEU C C 31 176.006 176.006 177.187 -1.181 25543 4088 1 11 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.212 -0.514 25543 4089 1 11 . 1 1 31 31 LEU CB C 31 42.118 42.118 39.196 2.922 25543 4090 1 11 . 1 1 31 31 LEU H H 31 8.016 8.016 8.660 -0.644 25543 4091 1 11 . 1 1 32 32 ILE N N 32 121.365 121.365 118.226 3.139 25543 4092 1 11 . 1 1 32 32 ILE HA H 32 4.152 4.152 3.932 0.220 25543 4093 1 11 . 1 1 32 32 ILE CA C 32 61.344 61.344 63.710 -2.366 25543 4094 1 11 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.389 0.140 25543 4095 1 11 . 1 1 32 32 ILE H H 32 8.050 8.050 7.667 0.383 25543 4096 1 11 . 1 1 33 33 SER N N 33 120.203 120.203 116.282 3.921 25543 4097 1 11 . 1 1 33 33 SER HA H 33 4.409 4.409 4.461 -0.052 25543 4098 1 11 . 1 1 33 33 SER CA C 33 58.468 58.468 57.546 0.922 25543 4099 1 11 . 1 1 33 33 SER CB C 33 64.021 64.021 61.418 2.603 25543 4100 1 11 . 1 1 33 33 SER H H 33 8.391 8.391 8.168 0.223 25543 4101 1 11 . 1 1 34 34 ASP N N 34 123.136 123.136 122.782 0.354 25543 4102 1 11 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.246 0.248 25543 4103 1 11 . 1 1 34 34 ASP C C 34 175.121 175.121 177.492 -2.371 25543 4104 1 11 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.246 -1.566 25543 4105 1 11 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.353 -0.675 25543 4106 1 11 . 1 1 34 34 ASP H H 34 8.629 8.629 8.004 0.625 25543 4107 1 11 . 1 1 35 35 GLU N N 35 121.638 121.638 119.032 2.606 25543 4108 1 11 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.983 0.125 25543 4109 1 11 . 1 1 35 35 GLU C C 35 174.886 174.886 178.297 -3.411 25543 4110 1 11 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.082 -0.497 25543 4111 1 11 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.994 0.539 25543 4112 1 11 . 1 1 35 35 GLU H H 35 8.579 8.579 8.551 0.028 25543 4113 1 11 . 1 1 36 36 ALA N N 36 123.946 123.946 123.117 0.829 25543 4114 1 11 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.984 0.245 25543 4115 1 11 . 1 1 36 36 ALA C C 36 177.012 177.012 180.069 -3.057 25543 4116 1 11 . 1 1 36 36 ALA CA C 36 53.808 53.808 54.967 -1.159 25543 4117 1 11 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.971 0.574 25543 4118 1 11 . 1 1 36 36 ALA H H 36 8.235 8.235 7.574 0.661 25543 4119 1 11 . 1 1 37 37 GLN N N 37 118.885 118.885 118.279 0.606 25543 4120 1 11 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.877 0.249 25543 4121 1 11 . 1 1 37 37 GLN C C 37 174.897 174.897 178.558 -3.661 25543 4122 1 11 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.472 -1.071 25543 4123 1 11 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.957 0.824 25543 4124 1 11 . 1 1 37 37 GLN H H 37 8.295 8.295 7.737 0.558 25543 4125 1 11 . 1 1 38 38 ALA N N 38 124.163 124.163 122.651 1.512 25543 4126 1 11 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.885 0.289 25543 4127 1 11 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.188 -1.092 25543 4128 1 11 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.015 0.441 25543 4129 1 11 . 1 1 38 38 ALA H H 38 8.217 8.217 8.451 -0.234 25543 4130 1 11 . 1 1 39 39 ASP N N 39 119.226 119.226 119.413 -0.187 25543 4131 1 11 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.273 0.203 25543 4132 1 11 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.254 -1.410 25543 4133 1 11 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.827 0.152 25543 4134 1 11 . 1 1 39 39 ASP H H 39 8.145 8.145 7.927 0.218 25543 4135 1 11 . 1 1 40 40 LEU N N 40 121.976 121.976 119.589 2.387 25543 4136 1 11 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.891 0.174 25543 4137 1 11 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.973 -0.843 25543 4138 1 11 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.638 0.324 25543 4139 1 11 . 1 1 40 40 LEU H H 40 8.018 8.018 8.458 -0.440 25543 4140 1 11 . 1 1 41 41 ALA N N 41 121.547 121.547 122.553 -1.006 25543 4141 1 11 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.064 0.036 25543 4142 1 11 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.152 -1.093 25543 4143 1 11 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.416 -0.220 25543 4144 1 11 . 1 1 41 41 ALA H H 41 8.076 8.076 8.198 -0.122 25543 4145 1 11 . 1 1 42 42 LEU N N 42 119.599 119.599 117.425 2.174 25543 4146 1 11 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.965 0.232 25543 4147 1 11 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.028 -0.626 25543 4148 1 11 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.474 0.552 25543 4149 1 11 . 1 1 42 42 LEU H H 42 7.832 7.832 8.371 -0.539 25543 4150 1 11 . 1 1 43 43 ARG N N 43 120.126 120.126 119.159 0.967 25543 4151 1 11 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.037 0.084 25543 4152 1 11 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.380 -0.702 25543 4153 1 11 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.745 -0.551 25543 4154 1 11 . 1 1 43 43 ARG H H 43 8.047 8.047 8.172 -0.125 25543 4155 1 11 . 1 1 44 44 ARG N N 44 120.206 120.206 118.969 1.237 25543 4156 1 11 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.075 0.164 25543 4157 1 11 . 1 1 44 44 ARG C C 44 173.165 173.165 176.557 -3.392 25543 4158 1 11 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.039 0.072 25543 4159 1 11 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.448 1.144 25543 4160 1 11 . 1 1 44 44 ARG H H 44 8.206 8.206 8.296 -0.090 25543 4161 1 11 . 1 1 45 45 SER N N 45 116.312 116.312 116.171 0.141 25543 4162 1 11 . 1 1 45 45 SER HA H 45 4.369 4.369 4.247 0.122 25543 4163 1 11 . 1 1 45 45 SER C C 45 170.903 170.903 175.512 -4.609 25543 4164 1 11 . 1 1 45 45 SER CA C 45 59.151 59.151 58.547 0.604 25543 4165 1 11 . 1 1 45 45 SER CB C 45 63.539 63.539 63.675 -0.136 25543 4166 1 11 . 1 1 45 45 SER H H 45 8.171 8.171 7.520 0.651 25543 4167 1 11 . 1 1 46 46 LEU N N 46 123.524 123.524 124.391 -0.867 25543 4168 1 11 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.100 0.190 25543 4169 1 11 . 1 1 46 46 LEU CA C 46 55.719 55.719 57.315 -1.596 25543 4170 1 11 . 1 1 46 46 LEU CB C 46 42.071 42.071 41.181 0.890 25543 4171 1 11 . 1 1 46 46 LEU H H 46 8.168 8.168 8.609 -0.441 25543 4172 1 11 . 1 1 47 47 ASP N N 47 119.853 119.853 116.729 3.124 25543 4173 1 11 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.455 0.082 25543 4174 1 11 . 1 1 47 47 ASP C C 47 173.143 173.143 177.796 -4.653 25543 4175 1 11 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.954 -1.215 25543 4176 1 11 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.422 0.515 25543 4177 1 11 . 1 1 47 47 ASP H H 47 8.154 8.154 8.327 -0.173 25543 4178 1 11 . 1 1 48 48 SER N N 48 114.867 114.867 114.174 0.693 25543 4179 1 11 . 1 1 48 48 SER HA H 48 4.340 4.340 3.699 0.641 25543 4180 1 11 . 1 1 48 48 SER C C 48 170.816 170.816 173.859 -3.043 25543 4181 1 11 . 1 1 48 48 SER CA C 48 58.345 58.345 60.350 -2.005 25543 4182 1 11 . 1 1 48 48 SER CB C 48 63.835 63.835 62.195 1.640 25543 4183 1 11 . 1 1 48 48 SER H H 48 7.960 7.960 7.474 0.486 25543 4184 1 11 . 1 1 49 49 TYR N N 49 123.355 123.355 121.663 1.692 25543 4185 1 11 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.907 -0.172 25543 4186 1 11 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.950 1.191 25543 4187 1 11 . 1 1 49 49 TYR CB C 49 38.144 38.144 38.555 -0.411 25543 4188 1 11 . 1 1 49 49 TYR H H 49 8.102 8.102 7.720 0.382 25543 4189 1 11 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.423 0.004 25543 4190 1 11 . 1 1 50 50 PRO C C 50 173.908 173.908 176.172 -2.264 25543 4191 1 11 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.703 0.342 25543 4192 1 11 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.495 -0.603 25543 4193 1 11 . 1 1 51 51 VAL N N 51 120.746 120.746 119.389 1.357 25543 4194 1 11 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.198 -0.110 25543 4195 1 11 . 1 1 51 51 VAL C C 51 173.504 173.504 175.549 -2.045 25543 4196 1 11 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.524 -0.222 25543 4197 1 11 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.498 0.368 25543 4198 1 11 . 1 1 51 51 VAL H H 51 8.270 8.270 8.148 0.122 25543 4199 1 11 . 1 1 52 52 SER N N 52 119.837 119.837 120.842 -1.005 25543 4200 1 11 . 1 1 52 52 SER HA H 52 4.429 4.429 4.672 -0.243 25543 4201 1 11 . 1 1 52 52 SER C C 52 171.799 171.799 173.696 -1.897 25543 4202 1 11 . 1 1 52 52 SER CA C 52 58.088 58.088 57.089 0.999 25543 4203 1 11 . 1 1 52 52 SER CB C 52 63.948 63.948 65.045 -1.097 25543 4204 1 11 . 1 1 52 52 SER H H 52 8.493 8.493 8.180 0.313 25543 4205 1 11 . 1 1 53 53 LYS N N 53 123.948 123.948 123.575 0.373 25543 4206 1 11 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.262 0.009 25543 4207 1 11 . 1 1 53 53 LYS C C 53 173.547 173.547 176.764 -3.217 25543 4208 1 11 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.385 0.115 25543 4209 1 11 . 1 1 53 53 LYS CB C 53 32.967 32.967 32.892 0.074 25543 4210 1 11 . 1 1 53 53 LYS H H 53 8.531 8.531 8.653 -0.122 25543 4211 1 11 . 1 1 54 54 ASN N N 54 119.853 119.853 117.544 2.309 25543 4212 1 11 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.316 0.383 25543 4213 1 11 . 1 1 54 54 ASN C C 54 172.115 172.115 174.672 -2.557 25543 4214 1 11 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.308 -1.096 25543 4215 1 11 . 1 1 54 54 ASN CB C 54 38.801 38.801 37.077 1.724 25543 4216 1 11 . 1 1 54 54 ASN H H 54 8.532 8.532 8.865 -0.333 25543 4217 1 11 . 1 1 55 55 ASP N N 55 121.271 121.271 116.273 4.998 25543 4218 1 11 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.241 0.333 25543 4219 1 11 . 1 1 55 55 ASP C C 55 174.105 174.105 176.406 -2.301 25543 4220 1 11 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.688 -1.529 25543 4221 1 11 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.391 0.649 25543 4222 1 11 . 1 1 55 55 ASP H H 55 8.297 8.297 8.517 -0.220 25543 4223 1 11 . 1 1 56 56 GLY N N 56 109.368 109.368 105.966 3.402 25543 4224 1 11 . 1 1 56 56 GLY C C 56 171.941 171.941 175.294 -3.353 25543 4225 1 11 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.178 0.333 25543 4226 1 11 . 1 1 56 56 GLY H H 56 8.497 8.497 7.725 0.772 25543 4227 1 11 . 1 1 57 57 THR N N 57 113.628 113.628 115.004 -1.376 25543 4228 1 11 . 1 1 57 57 THR HA H 57 4.275 4.275 3.936 0.339 25543 4229 1 11 . 1 1 57 57 THR C C 57 171.744 171.744 174.527 -2.783 25543 4230 1 11 . 1 1 57 57 THR CA C 57 62.240 62.240 64.242 -2.002 25543 4231 1 11 . 1 1 57 57 THR CB C 57 69.941 69.941 68.515 1.426 25543 4232 1 11 . 1 1 57 57 THR H H 57 8.156 8.156 7.544 0.612 25543 4233 1 11 . 1 1 58 58 ARG N N 58 124.521 124.521 127.608 -3.087 25543 4234 1 11 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.541 0.079 25543 4235 1 11 . 1 1 58 58 ARG C C 58 171.187 171.187 175.189 -4.002 25543 4236 1 11 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.295 -0.326 25543 4237 1 11 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.977 0.169 25543 4238 1 11 . 1 1 58 58 ARG H H 58 8.322 8.322 8.182 0.140 25543 4239 1 11 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.263 0.119 25543 4240 1 11 . 1 1 59 59 PRO CA C 59 62.903 62.903 63.219 -0.316 25543 4241 1 11 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.346 -0.153 25543 4242 1 11 . 1 1 60 60 LYS N N 60 122.142 122.142 118.259 3.883 25543 4243 1 11 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.409 -0.206 25543 4244 1 11 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.542 0.786 25543 4245 1 11 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.719 -0.914 25543 4246 1 11 . 1 1 60 60 LYS H H 60 8.513 8.513 8.194 0.319 25543 4247 1 11 . 1 1 61 61 MET N N 61 122.695 122.695 117.970 4.725 25543 4248 1 11 . 1 1 61 61 MET HA H 61 4.598 4.598 4.789 -0.191 25543 4249 1 11 . 1 1 61 61 MET C C 61 173.077 173.077 175.346 -2.269 25543 4250 1 11 . 1 1 61 61 MET CA C 61 55.296 55.296 54.755 0.541 25543 4251 1 11 . 1 1 61 61 MET CB C 61 34.491 34.491 33.931 0.560 25543 4252 1 11 . 1 1 61 61 MET H H 61 8.446 8.446 8.161 0.285 25543 4253 1 11 . 1 1 62 62 THR N N 62 115.170 115.170 114.627 0.543 25543 4254 1 11 . 1 1 62 62 THR HA H 62 4.620 4.620 4.670 -0.050 25543 4255 1 11 . 1 1 62 62 THR C C 62 170.881 170.881 174.824 -3.943 25543 4256 1 11 . 1 1 62 62 THR CA C 62 59.858 59.858 59.545 0.313 25543 4257 1 11 . 1 1 62 62 THR CB C 62 68.752 68.752 69.667 -0.915 25543 4258 1 11 . 1 1 62 62 THR H H 62 8.437 8.437 8.292 0.145 25543 4259 1 11 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.047 0.227 25543 4260 1 11 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.709 -0.335 25543 4261 1 11 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.686 0.078 25543 4262 1 11 . 1 1 64 64 GLU N N 64 118.596 118.596 116.714 1.882 25543 4263 1 11 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.998 0.065 25543 4264 1 11 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.292 0.321 25543 4265 1 11 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.349 -0.333 25543 4266 1 11 . 1 1 64 64 GLU H H 64 8.813 8.813 7.979 0.834 25543 4267 1 11 . 1 1 65 65 GLN N N 65 121.250 121.250 118.588 2.662 25543 4268 1 11 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.067 -0.021 25543 4269 1 11 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.702 -0.586 25543 4270 1 11 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.480 0.231 25543 4271 1 11 . 1 1 65 65 GLN H H 65 7.964 7.964 8.426 -0.462 25543 4272 1 11 . 1 1 66 66 MET N N 66 120.082 120.082 117.421 2.661 25543 4273 1 11 . 1 1 66 66 MET HA H 66 4.156 4.156 4.101 0.055 25543 4274 1 11 . 1 1 66 66 MET CA C 66 58.241 58.241 59.051 -0.810 25543 4275 1 11 . 1 1 66 66 MET CB C 66 32.558 32.558 31.636 0.922 25543 4276 1 11 . 1 1 66 66 MET H H 66 8.429 8.429 7.700 0.729 25543 4277 1 11 . 1 1 67 67 ALA N N 67 122.222 122.222 123.028 -0.806 25543 4278 1 11 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.972 0.185 25543 4279 1 11 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.250 -0.979 25543 4280 1 11 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.038 0.241 25543 4281 1 11 . 1 1 67 67 ALA H H 67 8.106 8.106 8.296 -0.190 25543 4282 1 11 . 1 1 68 68 LYS N N 68 120.031 120.031 119.001 1.030 25543 4283 1 11 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.994 0.133 25543 4284 1 11 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.584 -1.211 25543 4285 1 11 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.446 0.158 25543 4286 1 11 . 1 1 68 68 LYS H H 68 7.815 7.815 7.982 -0.167 25543 4287 1 11 . 1 1 69 69 GLU N N 69 119.896 119.896 118.687 1.209 25543 4288 1 11 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.068 0.055 25543 4289 1 11 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.318 -0.769 25543 4290 1 11 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.393 0.017 25543 4291 1 11 . 1 1 69 69 GLU H H 69 8.149 8.149 8.283 -0.134 25543 4292 1 11 . 1 1 70 70 MET N N 70 119.261 119.261 119.135 0.126 25543 4293 1 11 . 1 1 70 70 MET HA H 70 4.434 4.434 4.124 0.310 25543 4294 1 11 . 1 1 70 70 MET C C 70 174.607 174.607 178.514 -3.907 25543 4295 1 11 . 1 1 70 70 MET CA C 70 56.884 56.884 59.524 -2.640 25543 4296 1 11 . 1 1 70 70 MET CB C 70 32.159 32.159 32.575 -0.416 25543 4297 1 11 . 1 1 70 70 MET H H 70 8.215 8.215 8.788 -0.573 25543 4298 1 11 . 1 1 71 71 SER N N 71 115.618 115.618 114.551 1.067 25543 4299 1 11 . 1 1 71 71 SER HA H 71 4.265 4.265 4.078 0.187 25543 4300 1 11 . 1 1 71 71 SER CA C 71 60.463 60.463 61.585 -1.122 25543 4301 1 11 . 1 1 71 71 SER CB C 71 63.135 63.135 62.909 0.226 25543 4302 1 11 . 1 1 71 71 SER H H 71 8.161 8.161 8.163 -0.002 25543 4303 1 11 . 1 1 72 72 GLU N N 72 122.328 122.328 121.455 0.873 25543 4304 1 11 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.102 0.011 25543 4305 1 11 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.861 -0.745 25543 4306 1 11 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.726 -0.299 25543 4307 1 11 . 1 1 72 72 GLU H H 72 8.247 8.247 7.909 0.338 25543 4308 1 11 . 1 1 73 73 PHE N N 73 120.564 120.564 118.828 1.736 25543 4309 1 11 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.268 0.132 25543 4310 1 11 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.773 -1.276 25543 4311 1 11 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.743 -0.561 25543 4312 1 11 . 1 1 73 73 PHE H H 73 8.126 8.126 8.020 0.106 25543 4313 1 11 . 1 1 74 74 LEU N N 74 120.761 120.761 116.747 4.014 25543 4314 1 11 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.174 -0.022 25543 4315 1 11 . 1 1 74 74 LEU CA C 74 55.890 55.890 55.792 0.098 25543 4316 1 11 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.050 0.056 25543 4317 1 11 . 1 1 74 74 LEU H H 74 8.127 8.127 8.211 -0.084 25543 4318 1 11 . 1 1 75 75 SER N N 75 115.178 115.178 114.103 1.075 25543 4319 1 11 . 1 1 75 75 SER HA H 75 4.357 4.357 4.066 0.291 25543 4320 1 11 . 1 1 75 75 SER CA C 75 58.921 58.921 58.772 0.149 25543 4321 1 11 . 1 1 75 75 SER CB C 75 63.534 63.534 63.261 0.273 25543 4322 1 11 . 1 1 75 75 SER H H 75 8.003 8.003 7.710 0.293 25543 4323 1 11 . 1 1 76 76 ARG N N 76 122.367 122.367 127.471 -5.104 25543 4324 1 11 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.149 0.165 25543 4325 1 11 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.704 -0.298 25543 4326 1 11 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.360 0.472 25543 4327 1 11 . 1 1 76 76 ARG H H 76 7.985 7.985 8.728 -0.743 25543 4328 1 11 . 1 1 77 77 GLY N N 77 109.723 109.723 109.366 0.357 25543 4329 1 11 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.643 -0.243 25543 4330 1 11 . 1 1 77 77 GLY H H 77 8.151 8.151 8.313 -0.162 25543 4331 1 11 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.505 -0.140 25543 4332 1 11 . 1 1 78 78 PRO C C 78 173.976 173.976 177.470 -3.494 25543 4333 1 11 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.657 0.569 25543 4334 1 11 . 1 1 78 78 PRO CB C 78 32.028 32.028 32.149 -0.121 25543 4335 1 12 . 1 1 7 7 GLN N N 7 120.283 120.283 121.087 -0.804 25543 4336 1 12 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.977 0.158 25543 4337 1 12 . 1 1 7 7 GLN C C 7 174.902 174.902 177.991 -3.089 25543 4338 1 12 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.002 -1.685 25543 4339 1 12 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.791 0.909 25543 4340 1 12 . 1 1 7 7 GLN H H 7 8.340 8.340 8.740 -0.400 25543 4341 1 12 . 1 1 8 8 GLN N N 8 120.710 120.710 116.800 3.910 25543 4342 1 12 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.026 0.021 25543 4343 1 12 . 1 1 8 8 GLN C C 8 174.564 174.564 178.182 -3.618 25543 4344 1 12 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.868 -0.767 25543 4345 1 12 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.672 0.822 25543 4346 1 12 . 1 1 8 8 GLN H H 8 8.434 8.434 8.765 -0.331 25543 4347 1 12 . 1 1 9 9 ALA N N 9 122.740 122.740 123.511 -0.771 25543 4348 1 12 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.081 0.112 25543 4349 1 12 . 1 1 9 9 ALA C C 9 177.504 177.504 179.483 -1.979 25543 4350 1 12 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.895 -0.313 25543 4351 1 12 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.273 -0.142 25543 4352 1 12 . 1 1 9 9 ALA H H 9 8.144 8.144 7.750 0.394 25543 4353 1 12 . 1 1 10 10 VAL N N 10 120.344 120.344 119.336 1.008 25543 4354 1 12 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.547 0.248 25543 4355 1 12 . 1 1 10 10 VAL C C 10 175.143 175.143 177.766 -2.623 25543 4356 1 12 . 1 1 10 10 VAL CA C 10 65.426 65.426 66.049 -0.623 25543 4357 1 12 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.833 0.235 25543 4358 1 12 . 1 1 10 10 VAL H H 10 7.854 7.854 7.953 -0.099 25543 4359 1 12 . 1 1 11 11 LEU N N 11 121.896 121.896 120.506 1.390 25543 4360 1 12 . 1 1 11 11 LEU HA H 11 4.135 4.135 4.081 0.054 25543 4361 1 12 . 1 1 11 11 LEU C C 11 177.143 177.143 179.255 -2.112 25543 4362 1 12 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.207 -0.517 25543 4363 1 12 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.539 0.104 25543 4364 1 12 . 1 1 11 11 LEU H H 11 7.936 7.936 8.694 -0.758 25543 4365 1 12 . 1 1 12 12 GLU N N 12 120.197 120.197 118.129 2.068 25543 4366 1 12 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.859 0.281 25543 4367 1 12 . 1 1 12 12 GLU C C 12 175.602 175.602 179.218 -3.616 25543 4368 1 12 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.627 -1.121 25543 4369 1 12 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.266 -0.009 25543 4370 1 12 . 1 1 12 12 GLU H H 12 8.310 8.310 7.947 0.363 25543 4371 1 12 . 1 1 13 13 GLN N N 13 120.843 120.843 119.317 1.526 25543 4372 1 12 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.038 -0.120 25543 4373 1 12 . 1 1 13 13 GLN C C 13 174.656 174.656 178.337 -3.681 25543 4374 1 12 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.721 -0.300 25543 4375 1 12 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.366 -0.262 25543 4376 1 12 . 1 1 13 13 GLN H H 13 8.073 8.073 8.350 -0.277 25543 4377 1 12 . 1 1 14 14 GLU N N 14 119.589 119.589 120.386 -0.797 25543 4378 1 12 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.895 0.203 25543 4379 1 12 . 1 1 14 14 GLU C C 14 176.412 176.412 179.047 -2.635 25543 4380 1 12 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.786 -0.510 25543 4381 1 12 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.428 -0.109 25543 4382 1 12 . 1 1 14 14 GLU H H 14 8.340 8.340 8.714 -0.374 25543 4383 1 12 . 1 1 15 15 ARG N N 15 120.353 120.353 118.491 1.862 25543 4384 1 12 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.917 0.063 25543 4385 1 12 . 1 1 15 15 ARG C C 15 175.896 175.896 178.659 -2.763 25543 4386 1 12 . 1 1 15 15 ARG CA C 15 59.503 59.503 60.123 -0.620 25543 4387 1 12 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.139 -0.305 25543 4388 1 12 . 1 1 15 15 ARG H H 15 7.995 7.995 8.411 -0.416 25543 4389 1 12 . 1 1 16 16 ARG N N 16 120.490 120.490 119.213 1.277 25543 4390 1 12 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.961 0.073 25543 4391 1 12 . 1 1 16 16 ARG C C 16 176.476 176.476 178.087 -1.611 25543 4392 1 12 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.430 -0.062 25543 4393 1 12 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.959 -0.127 25543 4394 1 12 . 1 1 16 16 ARG H H 16 8.169 8.169 8.155 0.014 25543 4395 1 12 . 1 1 17 17 ASP N N 17 120.965 120.965 119.236 1.729 25543 4396 1 12 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.287 0.152 25543 4397 1 12 . 1 1 17 17 ASP C C 17 176.291 176.291 178.673 -2.382 25543 4398 1 12 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.728 -0.476 25543 4399 1 12 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.872 -0.963 25543 4400 1 12 . 1 1 17 17 ASP H H 17 8.684 8.684 8.490 0.194 25543 4401 1 12 . 1 1 18 18 ARG N N 18 122.128 122.128 119.130 2.998 25543 4402 1 12 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.977 0.154 25543 4403 1 12 . 1 1 18 18 ARG C C 18 175.897 175.897 178.978 -3.081 25543 4404 1 12 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.433 -0.280 25543 4405 1 12 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.238 -0.111 25543 4406 1 12 . 1 1 18 18 ARG H H 18 8.183 8.183 8.255 -0.072 25543 4407 1 12 . 1 1 19 19 GLU N N 19 120.044 120.044 119.891 0.153 25543 4408 1 12 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.998 0.019 25543 4409 1 12 . 1 1 19 19 GLU C C 19 172.902 172.902 179.162 -6.260 25543 4410 1 12 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.450 -0.261 25543 4411 1 12 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.321 -0.017 25543 4412 1 12 . 1 1 19 19 GLU H H 19 8.207 8.207 8.149 0.058 25543 4413 1 12 . 1 1 20 20 LEU N N 20 121.172 121.172 120.310 0.862 25543 4414 1 12 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.951 0.181 25543 4415 1 12 . 1 1 20 20 LEU C C 20 174.935 174.935 179.028 -4.093 25543 4416 1 12 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.109 -0.233 25543 4417 1 12 . 1 1 20 20 LEU CB C 20 41.670 41.670 40.971 0.699 25543 4418 1 12 . 1 1 20 20 LEU H H 20 8.102 8.102 8.246 -0.144 25543 4419 1 12 . 1 1 21 21 ALA N N 21 120.754 120.754 121.486 -0.732 25543 4420 1 12 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.925 0.162 25543 4421 1 12 . 1 1 21 21 ALA C C 21 177.689 177.689 180.105 -2.416 25543 4422 1 12 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.030 -0.360 25543 4423 1 12 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.094 -0.107 25543 4424 1 12 . 1 1 21 21 ALA H H 21 7.864 7.864 8.031 -0.167 25543 4425 1 12 . 1 1 22 22 LEU N N 22 119.357 119.357 119.219 0.138 25543 4426 1 12 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.031 0.146 25543 4427 1 12 . 1 1 22 22 LEU C C 22 175.842 175.842 178.834 -2.992 25543 4428 1 12 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.914 -0.857 25543 4429 1 12 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.927 0.036 25543 4430 1 12 . 1 1 22 22 LEU H H 22 7.901 7.901 8.155 -0.254 25543 4431 1 12 . 1 1 23 23 ARG N N 23 120.416 120.416 119.863 0.553 25543 4432 1 12 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.948 0.203 25543 4433 1 12 . 1 1 23 23 ARG C C 23 176.236 176.236 179.070 -2.834 25543 4434 1 12 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.071 -1.537 25543 4435 1 12 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.165 -0.008 25543 4436 1 12 . 1 1 23 23 ARG H H 23 7.890 7.890 8.108 -0.218 25543 4437 1 12 . 1 1 24 24 ILE N N 24 121.088 121.088 119.352 1.736 25543 4438 1 12 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.714 0.163 25543 4439 1 12 . 1 1 24 24 ILE C C 24 174.946 174.946 177.704 -2.758 25543 4440 1 12 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.939 -1.325 25543 4441 1 12 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.438 0.777 25543 4442 1 12 . 1 1 24 24 ILE H H 24 8.254 8.254 8.623 -0.369 25543 4443 1 12 . 1 1 25 25 ALA N N 25 124.216 124.216 122.804 1.412 25543 4444 1 12 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.952 0.270 25543 4445 1 12 . 1 1 25 25 ALA C C 25 176.883 176.883 180.044 -3.161 25543 4446 1 12 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.301 -1.228 25543 4447 1 12 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.144 0.333 25543 4448 1 12 . 1 1 25 25 ALA H H 25 8.053 8.053 8.100 -0.047 25543 4449 1 12 . 1 1 26 26 GLN N N 26 118.617 118.617 117.079 1.538 25543 4450 1 12 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.095 0.108 25543 4451 1 12 . 1 1 26 26 GLN C C 26 174.564 174.564 178.758 -4.194 25543 4452 1 12 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.111 -0.892 25543 4453 1 12 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.266 0.603 25543 4454 1 12 . 1 1 26 26 GLN H H 26 8.269 8.269 8.562 -0.293 25543 4455 1 12 . 1 1 27 27 SER N N 27 116.340 116.340 116.575 -0.235 25543 4456 1 12 . 1 1 27 27 SER HA H 27 4.350 4.350 4.186 0.164 25543 4457 1 12 . 1 1 27 27 SER C C 27 172.902 172.902 176.460 -3.558 25543 4458 1 12 . 1 1 27 27 SER CA C 27 59.941 59.941 62.209 -2.268 25543 4459 1 12 . 1 1 27 27 SER CB C 27 63.458 63.458 63.135 0.323 25543 4460 1 12 . 1 1 27 27 SER H H 27 8.195 8.195 8.286 -0.091 25543 4461 1 12 . 1 1 28 28 GLU N N 28 122.168 122.168 121.894 0.274 25543 4462 1 12 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.110 0.057 25543 4463 1 12 . 1 1 28 28 GLU C C 28 174.568 174.568 178.233 -3.665 25543 4464 1 12 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.752 -0.876 25543 4465 1 12 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.980 0.980 25543 4466 1 12 . 1 1 28 28 GLU H H 28 8.316 8.316 8.538 -0.222 25543 4467 1 12 . 1 1 29 29 ALA N N 29 122.950 122.950 121.952 0.998 25543 4468 1 12 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.172 0.031 25543 4469 1 12 . 1 1 29 29 ALA C C 29 176.938 176.938 179.563 -2.625 25543 4470 1 12 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.344 -0.987 25543 4471 1 12 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.639 0.214 25543 4472 1 12 . 1 1 29 29 ALA H H 29 8.029 8.029 7.831 0.198 25543 4473 1 12 . 1 1 30 30 GLU N N 30 119.092 119.092 117.124 1.968 25543 4474 1 12 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.263 -0.108 25543 4475 1 12 . 1 1 30 30 GLU C C 30 174.531 174.531 177.266 -2.735 25543 4476 1 12 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.378 0.711 25543 4477 1 12 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.381 -0.440 25543 4478 1 12 . 1 1 30 30 GLU H H 30 8.104 8.104 7.837 0.267 25543 4479 1 12 . 1 1 31 31 LEU N N 31 122.322 122.322 117.512 4.810 25543 4480 1 12 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.963 0.325 25543 4481 1 12 . 1 1 31 31 LEU C C 31 176.006 176.006 175.590 0.416 25543 4482 1 12 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.126 -0.428 25543 4483 1 12 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.462 1.655 25543 4484 1 12 . 1 1 31 31 LEU H H 31 8.016 8.016 8.261 -0.245 25543 4485 1 12 . 1 1 32 32 ILE N N 32 121.365 121.365 117.824 3.541 25543 4486 1 12 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.170 -0.018 25543 4487 1 12 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.581 -1.237 25543 4488 1 12 . 1 1 32 32 ILE CB C 32 38.529 38.529 39.133 -0.604 25543 4489 1 12 . 1 1 32 32 ILE H H 32 8.050 8.050 7.761 0.289 25543 4490 1 12 . 1 1 33 33 SER N N 33 120.203 120.203 115.176 5.027 25543 4491 1 12 . 1 1 33 33 SER HA H 33 4.409 4.409 4.085 0.324 25543 4492 1 12 . 1 1 33 33 SER CA C 33 58.468 58.468 59.326 -0.858 25543 4493 1 12 . 1 1 33 33 SER CB C 33 64.021 64.021 61.337 2.684 25543 4494 1 12 . 1 1 33 33 SER H H 33 8.391 8.391 7.987 0.404 25543 4495 1 12 . 1 1 34 34 ASP N N 34 123.136 123.136 119.747 3.389 25543 4496 1 12 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.163 0.331 25543 4497 1 12 . 1 1 34 34 ASP C C 34 175.121 175.121 178.144 -3.023 25543 4498 1 12 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.803 -1.123 25543 4499 1 12 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.120 0.558 25543 4500 1 12 . 1 1 34 34 ASP H H 34 8.629 8.629 8.539 0.090 25543 4501 1 12 . 1 1 35 35 GLU N N 35 121.638 121.638 120.943 0.695 25543 4502 1 12 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.914 0.194 25543 4503 1 12 . 1 1 35 35 GLU C C 35 174.886 174.886 178.067 -3.181 25543 4504 1 12 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.478 -0.894 25543 4505 1 12 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.248 0.285 25543 4506 1 12 . 1 1 35 35 GLU H H 35 8.579 8.579 8.269 0.310 25543 4507 1 12 . 1 1 36 36 ALA N N 36 123.946 123.946 121.384 2.562 25543 4508 1 12 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.926 0.303 25543 4509 1 12 . 1 1 36 36 ALA C C 36 177.012 177.012 180.062 -3.050 25543 4510 1 12 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.271 -1.463 25543 4511 1 12 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.866 0.679 25543 4512 1 12 . 1 1 36 36 ALA H H 36 8.235 8.235 7.835 0.400 25543 4513 1 12 . 1 1 37 37 GLN N N 37 118.885 118.885 118.156 0.729 25543 4514 1 12 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.914 0.212 25543 4515 1 12 . 1 1 37 37 GLN C C 37 174.897 174.897 178.567 -3.670 25543 4516 1 12 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.330 -0.929 25543 4517 1 12 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.915 0.866 25543 4518 1 12 . 1 1 37 37 GLN H H 37 8.295 8.295 7.656 0.639 25543 4519 1 12 . 1 1 38 38 ALA N N 38 124.163 124.163 122.947 1.216 25543 4520 1 12 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.873 0.301 25543 4521 1 12 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.243 -1.147 25543 4522 1 12 . 1 1 38 38 ALA CB C 38 18.456 18.456 17.979 0.477 25543 4523 1 12 . 1 1 38 38 ALA H H 38 8.217 8.217 8.520 -0.303 25543 4524 1 12 . 1 1 39 39 ASP N N 39 119.226 119.226 119.603 -0.377 25543 4525 1 12 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.307 0.169 25543 4526 1 12 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.056 -1.212 25543 4527 1 12 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.538 0.441 25543 4528 1 12 . 1 1 39 39 ASP H H 39 8.145 8.145 8.307 -0.162 25543 4529 1 12 . 1 1 40 40 LEU N N 40 121.976 121.976 119.995 1.981 25543 4530 1 12 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.854 0.211 25543 4531 1 12 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.988 -0.858 25543 4532 1 12 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.657 0.305 25543 4533 1 12 . 1 1 40 40 LEU H H 40 8.018 8.018 8.142 -0.124 25543 4534 1 12 . 1 1 41 41 ALA N N 41 121.547 121.547 121.660 -0.113 25543 4535 1 12 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.001 0.099 25543 4536 1 12 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.110 -1.051 25543 4537 1 12 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.521 -0.325 25543 4538 1 12 . 1 1 41 41 ALA H H 41 8.076 8.076 8.226 -0.150 25543 4539 1 12 . 1 1 42 42 LEU N N 42 119.599 119.599 116.835 2.764 25543 4540 1 12 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.110 0.087 25543 4541 1 12 . 1 1 42 42 LEU CA C 42 56.402 56.402 56.783 -0.381 25543 4542 1 12 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.743 0.283 25543 4543 1 12 . 1 1 42 42 LEU H H 42 7.832 7.832 8.145 -0.313 25543 4544 1 12 . 1 1 43 43 ARG N N 43 120.126 120.126 118.826 1.300 25543 4545 1 12 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.088 0.033 25543 4546 1 12 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.502 -0.824 25543 4547 1 12 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.721 -0.527 25543 4548 1 12 . 1 1 43 43 ARG H H 43 8.047 8.047 7.992 0.055 25543 4549 1 12 . 1 1 44 44 ARG N N 44 120.206 120.206 118.882 1.324 25543 4550 1 12 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.227 0.012 25543 4551 1 12 . 1 1 44 44 ARG C C 44 173.165 173.165 175.670 -2.505 25543 4552 1 12 . 1 1 44 44 ARG CA C 44 57.111 57.111 56.543 0.568 25543 4553 1 12 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.755 0.837 25543 4554 1 12 . 1 1 44 44 ARG H H 44 8.206 8.206 8.042 0.164 25543 4555 1 12 . 1 1 45 45 SER N N 45 116.312 116.312 114.879 1.433 25543 4556 1 12 . 1 1 45 45 SER HA H 45 4.369 4.369 4.381 -0.012 25543 4557 1 12 . 1 1 45 45 SER C C 45 170.903 170.903 176.031 -5.128 25543 4558 1 12 . 1 1 45 45 SER CA C 45 59.151 59.151 59.139 0.012 25543 4559 1 12 . 1 1 45 45 SER CB C 45 63.539 63.539 63.114 0.425 25543 4560 1 12 . 1 1 45 45 SER H H 45 8.171 8.171 7.351 0.820 25543 4561 1 12 . 1 1 46 46 LEU N N 46 123.524 123.524 122.943 0.581 25543 4562 1 12 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.350 -0.060 25543 4563 1 12 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.666 -0.947 25543 4564 1 12 . 1 1 46 46 LEU CB C 46 42.071 42.071 41.551 0.520 25543 4565 1 12 . 1 1 46 46 LEU H H 46 8.168 8.168 8.016 0.152 25543 4566 1 12 . 1 1 47 47 ASP N N 47 119.853 119.853 119.767 0.086 25543 4567 1 12 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.537 0.000 25543 4568 1 12 . 1 1 47 47 ASP C C 47 173.143 173.143 176.341 -3.198 25543 4569 1 12 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.630 0.109 25543 4570 1 12 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.523 0.414 25543 4571 1 12 . 1 1 47 47 ASP H H 47 8.154 8.154 8.115 0.039 25543 4572 1 12 . 1 1 48 48 SER N N 48 114.867 114.867 112.092 2.775 25543 4573 1 12 . 1 1 48 48 SER HA H 48 4.340 4.340 4.064 0.276 25543 4574 1 12 . 1 1 48 48 SER C C 48 170.816 170.816 173.337 -2.521 25543 4575 1 12 . 1 1 48 48 SER CA C 48 58.345 58.345 58.815 -0.470 25543 4576 1 12 . 1 1 48 48 SER CB C 48 63.835 63.835 62.109 1.726 25543 4577 1 12 . 1 1 48 48 SER H H 48 7.960 7.960 8.144 -0.184 25543 4578 1 12 . 1 1 49 49 TYR N N 49 123.355 123.355 118.863 4.492 25543 4579 1 12 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.629 0.106 25543 4580 1 12 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.306 0.835 25543 4581 1 12 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.673 0.471 25543 4582 1 12 . 1 1 49 49 TYR H H 49 8.102 8.102 8.139 -0.037 25543 4583 1 12 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.333 0.094 25543 4584 1 12 . 1 1 50 50 PRO C C 50 173.908 173.908 175.689 -1.781 25543 4585 1 12 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.136 0.909 25543 4586 1 12 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.589 -0.697 25543 4587 1 12 . 1 1 51 51 VAL N N 51 120.746 120.746 120.749 -0.003 25543 4588 1 12 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.179 -0.091 25543 4589 1 12 . 1 1 51 51 VAL C C 51 173.504 173.504 175.578 -2.074 25543 4590 1 12 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.828 0.474 25543 4591 1 12 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.113 0.753 25543 4592 1 12 . 1 1 51 51 VAL H H 51 8.270 8.270 8.058 0.212 25543 4593 1 12 . 1 1 52 52 SER N N 52 119.837 119.837 123.571 -3.734 25543 4594 1 12 . 1 1 52 52 SER HA H 52 4.429 4.429 4.546 -0.117 25543 4595 1 12 . 1 1 52 52 SER C C 52 171.799 171.799 173.922 -2.123 25543 4596 1 12 . 1 1 52 52 SER CA C 52 58.088 58.088 58.370 -0.282 25543 4597 1 12 . 1 1 52 52 SER CB C 52 63.948 63.948 63.037 0.911 25543 4598 1 12 . 1 1 52 52 SER H H 52 8.493 8.493 8.646 -0.153 25543 4599 1 12 . 1 1 53 53 LYS N N 53 123.948 123.948 126.665 -2.717 25543 4600 1 12 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.581 -0.310 25543 4601 1 12 . 1 1 53 53 LYS C C 53 173.547 173.547 175.672 -2.125 25543 4602 1 12 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.422 1.077 25543 4603 1 12 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.082 -0.115 25543 4604 1 12 . 1 1 53 53 LYS H H 53 8.531 8.531 8.183 0.348 25543 4605 1 12 . 1 1 54 54 ASN N N 54 119.853 119.853 118.745 1.108 25543 4606 1 12 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.908 -0.209 25543 4607 1 12 . 1 1 54 54 ASN C C 54 172.115 172.115 174.522 -2.407 25543 4608 1 12 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.371 -0.159 25543 4609 1 12 . 1 1 54 54 ASN CB C 54 38.801 38.801 39.195 -0.394 25543 4610 1 12 . 1 1 54 54 ASN H H 54 8.532 8.532 8.621 -0.089 25543 4611 1 12 . 1 1 55 55 ASP N N 55 121.271 121.271 121.193 0.078 25543 4612 1 12 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.422 0.152 25543 4613 1 12 . 1 1 55 55 ASP C C 55 174.105 174.105 177.401 -3.296 25543 4614 1 12 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.570 -1.411 25543 4615 1 12 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.856 0.184 25543 4616 1 12 . 1 1 55 55 ASP H H 55 8.297 8.297 8.359 -0.062 25543 4617 1 12 . 1 1 56 56 GLY N N 56 109.368 109.368 107.119 2.249 25543 4618 1 12 . 1 1 56 56 GLY C C 56 171.941 171.941 174.346 -2.405 25543 4619 1 12 . 1 1 56 56 GLY CA C 56 45.511 45.511 46.226 -0.715 25543 4620 1 12 . 1 1 56 56 GLY H H 56 8.497 8.497 8.408 0.089 25543 4621 1 12 . 1 1 57 57 THR N N 57 113.628 113.628 110.892 2.736 25543 4622 1 12 . 1 1 57 57 THR HA H 57 4.275 4.275 4.356 -0.081 25543 4623 1 12 . 1 1 57 57 THR C C 57 171.744 171.744 174.577 -2.833 25543 4624 1 12 . 1 1 57 57 THR CA C 57 62.240 62.240 60.941 1.300 25543 4625 1 12 . 1 1 57 57 THR CB C 57 69.941 69.941 70.023 -0.082 25543 4626 1 12 . 1 1 57 57 THR H H 57 8.156 8.156 7.602 0.554 25543 4627 1 12 . 1 1 58 58 ARG N N 58 124.521 124.521 123.347 1.174 25543 4628 1 12 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.524 0.096 25543 4629 1 12 . 1 1 58 58 ARG C C 58 171.187 171.187 175.802 -4.615 25543 4630 1 12 . 1 1 58 58 ARG CA C 58 53.969 53.969 55.277 -1.308 25543 4631 1 12 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.241 -0.095 25543 4632 1 12 . 1 1 58 58 ARG H H 58 8.322 8.322 8.376 -0.054 25543 4633 1 12 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.527 -0.145 25543 4634 1 12 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.778 0.125 25543 4635 1 12 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.494 -0.301 25543 4636 1 12 . 1 1 60 60 LYS N N 60 122.142 122.142 118.407 3.735 25543 4637 1 12 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.492 -0.289 25543 4638 1 12 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.044 1.284 25543 4639 1 12 . 1 1 60 60 LYS CB C 60 32.805 32.805 34.069 -1.264 25543 4640 1 12 . 1 1 60 60 LYS H H 60 8.513 8.513 8.225 0.288 25543 4641 1 12 . 1 1 61 61 MET N N 61 122.695 122.695 120.776 1.919 25543 4642 1 12 . 1 1 61 61 MET HA H 61 4.598 4.598 4.505 0.093 25543 4643 1 12 . 1 1 61 61 MET C C 61 173.077 173.077 176.331 -3.254 25543 4644 1 12 . 1 1 61 61 MET CA C 61 55.296 55.296 54.978 0.318 25543 4645 1 12 . 1 1 61 61 MET CB C 61 34.491 34.491 33.066 1.425 25543 4646 1 12 . 1 1 61 61 MET H H 61 8.446 8.446 8.337 0.109 25543 4647 1 12 . 1 1 62 62 THR N N 62 115.170 115.170 118.495 -3.325 25543 4648 1 12 . 1 1 62 62 THR HA H 62 4.620 4.620 4.712 -0.092 25543 4649 1 12 . 1 1 62 62 THR C C 62 170.881 170.881 174.103 -3.222 25543 4650 1 12 . 1 1 62 62 THR CA C 62 59.858 59.858 59.151 0.707 25543 4651 1 12 . 1 1 62 62 THR CB C 62 68.752 68.752 69.877 -1.125 25543 4652 1 12 . 1 1 62 62 THR H H 62 8.437 8.437 8.261 0.175 25543 4653 1 12 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.055 0.219 25543 4654 1 12 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.898 -0.524 25543 4655 1 12 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.711 0.052 25543 4656 1 12 . 1 1 64 64 GLU N N 64 118.596 118.596 117.477 1.119 25543 4657 1 12 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.970 0.093 25543 4658 1 12 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.583 0.030 25543 4659 1 12 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.213 -0.196 25543 4660 1 12 . 1 1 64 64 GLU H H 64 8.813 8.813 8.141 0.672 25543 4661 1 12 . 1 1 65 65 GLN N N 65 121.250 121.250 118.032 3.218 25543 4662 1 12 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.986 0.060 25543 4663 1 12 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.959 -0.843 25543 4664 1 12 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.509 0.202 25543 4665 1 12 . 1 1 65 65 GLN H H 65 7.964 7.964 7.734 0.230 25543 4666 1 12 . 1 1 66 66 MET N N 66 120.082 120.082 118.248 1.834 25543 4667 1 12 . 1 1 66 66 MET HA H 66 4.156 4.156 4.044 0.112 25543 4668 1 12 . 1 1 66 66 MET CA C 66 58.241 58.241 59.047 -0.806 25543 4669 1 12 . 1 1 66 66 MET CB C 66 32.558 32.558 32.321 0.237 25543 4670 1 12 . 1 1 66 66 MET H H 66 8.429 8.429 8.038 0.391 25543 4671 1 12 . 1 1 67 67 ALA N N 67 122.222 122.222 122.568 -0.346 25543 4672 1 12 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.915 0.242 25543 4673 1 12 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.506 -1.235 25543 4674 1 12 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.911 0.368 25543 4675 1 12 . 1 1 67 67 ALA H H 67 8.106 8.106 8.347 -0.241 25543 4676 1 12 . 1 1 68 68 LYS N N 68 120.031 120.031 118.671 1.360 25543 4677 1 12 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.973 0.154 25543 4678 1 12 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.631 -1.258 25543 4679 1 12 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.465 0.139 25543 4680 1 12 . 1 1 68 68 LYS H H 68 7.815 7.815 8.424 -0.609 25543 4681 1 12 . 1 1 69 69 GLU N N 69 119.896 119.896 119.013 0.883 25543 4682 1 12 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.047 0.076 25543 4683 1 12 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.523 -0.974 25543 4684 1 12 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.369 0.041 25543 4685 1 12 . 1 1 69 69 GLU H H 69 8.149 8.149 8.219 -0.070 25543 4686 1 12 . 1 1 70 70 MET N N 70 119.261 119.261 119.009 0.252 25543 4687 1 12 . 1 1 70 70 MET HA H 70 4.434 4.434 4.186 0.248 25543 4688 1 12 . 1 1 70 70 MET C C 70 174.607 174.607 178.532 -3.925 25543 4689 1 12 . 1 1 70 70 MET CA C 70 56.884 56.884 59.569 -2.685 25543 4690 1 12 . 1 1 70 70 MET CB C 70 32.159 32.159 32.631 -0.472 25543 4691 1 12 . 1 1 70 70 MET H H 70 8.215 8.215 8.786 -0.571 25543 4692 1 12 . 1 1 71 71 SER N N 71 115.618 115.618 114.914 0.704 25543 4693 1 12 . 1 1 71 71 SER HA H 71 4.265 4.265 4.082 0.183 25543 4694 1 12 . 1 1 71 71 SER CA C 71 60.463 60.463 61.914 -1.451 25543 4695 1 12 . 1 1 71 71 SER CB C 71 63.135 63.135 62.960 0.175 25543 4696 1 12 . 1 1 71 71 SER H H 71 8.161 8.161 8.181 -0.020 25543 4697 1 12 . 1 1 72 72 GLU N N 72 122.328 122.328 121.134 1.194 25543 4698 1 12 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.158 -0.045 25543 4699 1 12 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.551 -0.435 25543 4700 1 12 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.733 -0.305 25543 4701 1 12 . 1 1 72 72 GLU H H 72 8.247 8.247 8.299 -0.052 25543 4702 1 12 . 1 1 73 73 PHE N N 73 120.564 120.564 119.085 1.479 25543 4703 1 12 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.274 0.126 25543 4704 1 12 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.005 -1.508 25543 4705 1 12 . 1 1 73 73 PHE CB C 73 39.182 39.182 40.045 -0.863 25543 4706 1 12 . 1 1 73 73 PHE H H 73 8.126 8.126 8.059 0.067 25543 4707 1 12 . 1 1 74 74 LEU N N 74 120.761 120.761 117.464 3.297 25543 4708 1 12 . 1 1 74 74 LEU HA H 74 4.152 4.152 3.861 0.291 25543 4709 1 12 . 1 1 74 74 LEU CA C 74 55.890 55.890 57.699 -1.809 25543 4710 1 12 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.517 0.589 25543 4711 1 12 . 1 1 74 74 LEU H H 74 8.127 8.127 8.732 -0.605 25543 4712 1 12 . 1 1 75 75 SER N N 75 115.178 115.178 112.604 2.574 25543 4713 1 12 . 1 1 75 75 SER HA H 75 4.357 4.357 4.345 0.012 25543 4714 1 12 . 1 1 75 75 SER CA C 75 58.921 58.921 59.045 -0.124 25543 4715 1 12 . 1 1 75 75 SER CB C 75 63.534 63.534 62.529 1.004 25543 4716 1 12 . 1 1 75 75 SER H H 75 8.003 8.003 7.766 0.237 25543 4717 1 12 . 1 1 76 76 ARG N N 76 122.367 122.367 119.075 3.292 25543 4718 1 12 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.368 -0.054 25543 4719 1 12 . 1 1 76 76 ARG CA C 76 56.406 56.406 55.901 0.505 25543 4720 1 12 . 1 1 76 76 ARG CB C 76 30.832 30.832 31.243 -0.411 25543 4721 1 12 . 1 1 76 76 ARG H H 76 7.985 7.985 7.757 0.228 25543 4722 1 12 . 1 1 77 77 GLY N N 77 109.723 109.723 110.131 -0.408 25543 4723 1 12 . 1 1 77 77 GLY CA C 77 44.400 44.400 45.843 -1.443 25543 4724 1 12 . 1 1 77 77 GLY H H 77 8.151 8.151 7.476 0.675 25543 4725 1 12 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.277 0.088 25543 4726 1 12 . 1 1 78 78 PRO C C 78 173.976 173.976 176.243 -2.267 25543 4727 1 12 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.763 0.463 25543 4728 1 12 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.979 0.049 25543 4729 1 13 . 1 1 7 7 GLN N N 7 120.283 120.283 121.529 -1.246 25543 4730 1 13 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.978 0.157 25543 4731 1 13 . 1 1 7 7 GLN C C 7 174.902 174.902 178.211 -3.309 25543 4732 1 13 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.592 -1.274 25543 4733 1 13 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.842 0.858 25543 4734 1 13 . 1 1 7 7 GLN H H 7 8.340 8.340 8.775 -0.435 25543 4735 1 13 . 1 1 8 8 GLN N N 8 120.710 120.710 117.811 2.899 25543 4736 1 13 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.046 0.001 25543 4737 1 13 . 1 1 8 8 GLN C C 8 174.564 174.564 177.886 -3.322 25543 4738 1 13 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.791 -0.689 25543 4739 1 13 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.793 0.702 25543 4740 1 13 . 1 1 8 8 GLN H H 8 8.434 8.434 8.678 -0.244 25543 4741 1 13 . 1 1 9 9 ALA N N 9 122.740 122.740 122.839 -0.099 25543 4742 1 13 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.304 -0.111 25543 4743 1 13 . 1 1 9 9 ALA C C 9 177.504 177.504 179.507 -2.003 25543 4744 1 13 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.584 -0.002 25543 4745 1 13 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.248 -0.117 25543 4746 1 13 . 1 1 9 9 ALA H H 9 8.144 8.144 7.693 0.451 25543 4747 1 13 . 1 1 10 10 VAL N N 10 120.344 120.344 119.108 1.236 25543 4748 1 13 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.732 0.063 25543 4749 1 13 . 1 1 10 10 VAL C C 10 175.143 175.143 177.788 -2.645 25543 4750 1 13 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.133 0.293 25543 4751 1 13 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.470 0.598 25543 4752 1 13 . 1 1 10 10 VAL H H 10 7.854 7.854 7.879 -0.025 25543 4753 1 13 . 1 1 11 11 LEU N N 11 121.896 121.896 120.635 1.261 25543 4754 1 13 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.885 0.250 25543 4755 1 13 . 1 1 11 11 LEU C C 11 177.143 177.143 178.311 -1.168 25543 4756 1 13 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.487 -0.797 25543 4757 1 13 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.555 0.088 25543 4758 1 13 . 1 1 11 11 LEU H H 11 7.936 7.936 8.787 -0.851 25543 4759 1 13 . 1 1 12 12 GLU N N 12 120.197 120.197 118.363 1.834 25543 4760 1 13 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.830 0.310 25543 4761 1 13 . 1 1 12 12 GLU C C 12 175.602 175.602 179.083 -3.481 25543 4762 1 13 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.382 -0.876 25543 4763 1 13 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.860 0.397 25543 4764 1 13 . 1 1 12 12 GLU H H 12 8.310 8.310 8.149 0.161 25543 4765 1 13 . 1 1 13 13 GLN N N 13 120.843 120.843 120.182 0.661 25543 4766 1 13 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.058 -0.140 25543 4767 1 13 . 1 1 13 13 GLN C C 13 174.656 174.656 178.418 -3.762 25543 4768 1 13 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.586 -0.164 25543 4769 1 13 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.265 -0.161 25543 4770 1 13 . 1 1 13 13 GLN H H 13 8.073 8.073 8.376 -0.303 25543 4771 1 13 . 1 1 14 14 GLU N N 14 119.589 119.589 119.765 -0.176 25543 4772 1 13 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.013 0.085 25543 4773 1 13 . 1 1 14 14 GLU C C 14 176.412 176.412 179.090 -2.678 25543 4774 1 13 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.419 -0.143 25543 4775 1 13 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.352 -0.033 25543 4776 1 13 . 1 1 14 14 GLU H H 14 8.340 8.340 7.905 0.435 25543 4777 1 13 . 1 1 15 15 ARG N N 15 120.353 120.353 119.387 0.966 25543 4778 1 13 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.947 0.033 25543 4779 1 13 . 1 1 15 15 ARG C C 15 175.896 175.896 178.709 -2.813 25543 4780 1 13 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.694 -0.191 25543 4781 1 13 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.118 -0.284 25543 4782 1 13 . 1 1 15 15 ARG H H 15 7.995 7.995 8.533 -0.538 25543 4783 1 13 . 1 1 16 16 ARG N N 16 120.490 120.490 119.645 0.845 25543 4784 1 13 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.148 -0.114 25543 4785 1 13 . 1 1 16 16 ARG C C 16 176.476 176.476 178.278 -1.802 25543 4786 1 13 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.490 -0.122 25543 4787 1 13 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.010 -0.178 25543 4788 1 13 . 1 1 16 16 ARG H H 16 8.169 8.169 8.210 -0.041 25543 4789 1 13 . 1 1 17 17 ASP N N 17 120.965 120.965 119.082 1.883 25543 4790 1 13 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.285 0.154 25543 4791 1 13 . 1 1 17 17 ASP C C 17 176.291 176.291 178.727 -2.436 25543 4792 1 13 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.369 -0.117 25543 4793 1 13 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.664 -0.755 25543 4794 1 13 . 1 1 17 17 ASP H H 17 8.684 8.684 8.105 0.579 25543 4795 1 13 . 1 1 18 18 ARG N N 18 122.128 122.128 118.931 3.197 25543 4796 1 13 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.913 0.218 25543 4797 1 13 . 1 1 18 18 ARG C C 18 175.897 175.897 178.838 -2.941 25543 4798 1 13 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.544 -0.390 25543 4799 1 13 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.231 -0.104 25543 4800 1 13 . 1 1 18 18 ARG H H 18 8.183 8.183 8.287 -0.104 25543 4801 1 13 . 1 1 19 19 GLU N N 19 120.044 120.044 119.958 0.086 25543 4802 1 13 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.929 0.088 25543 4803 1 13 . 1 1 19 19 GLU C C 19 172.902 172.902 179.111 -6.209 25543 4804 1 13 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.534 -0.345 25543 4805 1 13 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.465 -0.161 25543 4806 1 13 . 1 1 19 19 GLU H H 19 8.207 8.207 8.147 0.060 25543 4807 1 13 . 1 1 20 20 LEU N N 20 121.172 121.172 120.102 1.070 25543 4808 1 13 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.874 0.258 25543 4809 1 13 . 1 1 20 20 LEU C C 20 174.935 174.935 178.993 -4.058 25543 4810 1 13 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.352 -0.476 25543 4811 1 13 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.097 0.573 25543 4812 1 13 . 1 1 20 20 LEU H H 20 8.102 8.102 8.179 -0.077 25543 4813 1 13 . 1 1 21 21 ALA N N 21 120.754 120.754 121.018 -0.264 25543 4814 1 13 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.944 0.143 25543 4815 1 13 . 1 1 21 21 ALA C C 21 177.689 177.689 180.126 -2.437 25543 4816 1 13 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.004 -0.334 25543 4817 1 13 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.174 -0.187 25543 4818 1 13 . 1 1 21 21 ALA H H 21 7.864 7.864 7.993 -0.129 25543 4819 1 13 . 1 1 22 22 LEU N N 22 119.357 119.357 119.260 0.097 25543 4820 1 13 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.038 0.139 25543 4821 1 13 . 1 1 22 22 LEU C C 22 175.842 175.842 178.928 -3.086 25543 4822 1 13 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.887 -0.830 25543 4823 1 13 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.960 0.003 25543 4824 1 13 . 1 1 22 22 LEU H H 22 7.901 7.901 8.246 -0.345 25543 4825 1 13 . 1 1 23 23 ARG N N 23 120.416 120.416 120.057 0.359 25543 4826 1 13 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.980 0.171 25543 4827 1 13 . 1 1 23 23 ARG C C 23 176.236 176.236 179.112 -2.876 25543 4828 1 13 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.123 -1.589 25543 4829 1 13 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.208 -0.051 25543 4830 1 13 . 1 1 23 23 ARG H H 23 7.890 7.890 8.390 -0.500 25543 4831 1 13 . 1 1 24 24 ILE N N 24 121.088 121.088 119.316 1.772 25543 4832 1 13 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.761 0.116 25543 4833 1 13 . 1 1 24 24 ILE C C 24 174.946 174.946 177.746 -2.800 25543 4834 1 13 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.818 -1.204 25543 4835 1 13 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.539 0.676 25543 4836 1 13 . 1 1 24 24 ILE H H 24 8.254 8.254 8.586 -0.332 25543 4837 1 13 . 1 1 25 25 ALA N N 25 124.216 124.216 122.982 1.234 25543 4838 1 13 . 1 1 25 25 ALA HA H 25 4.222 4.222 4.002 0.220 25543 4839 1 13 . 1 1 25 25 ALA C C 25 176.883 176.883 179.956 -3.073 25543 4840 1 13 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.166 -1.093 25543 4841 1 13 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.258 0.219 25543 4842 1 13 . 1 1 25 25 ALA H H 25 8.053 8.053 8.097 -0.044 25543 4843 1 13 . 1 1 26 26 GLN N N 26 118.617 118.617 117.418 1.199 25543 4844 1 13 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.016 0.187 25543 4845 1 13 . 1 1 26 26 GLN C C 26 174.564 174.564 178.605 -4.041 25543 4846 1 13 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.388 -1.169 25543 4847 1 13 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.176 0.693 25543 4848 1 13 . 1 1 26 26 GLN H H 26 8.269 8.269 8.629 -0.360 25543 4849 1 13 . 1 1 27 27 SER N N 27 116.340 116.340 116.220 0.120 25543 4850 1 13 . 1 1 27 27 SER HA H 27 4.350 4.350 4.161 0.189 25543 4851 1 13 . 1 1 27 27 SER C C 27 172.902 172.902 176.178 -3.276 25543 4852 1 13 . 1 1 27 27 SER CA C 27 59.941 59.941 62.005 -2.064 25543 4853 1 13 . 1 1 27 27 SER CB C 27 63.458 63.458 62.984 0.474 25543 4854 1 13 . 1 1 27 27 SER H H 27 8.195 8.195 8.354 -0.159 25543 4855 1 13 . 1 1 28 28 GLU N N 28 122.168 122.168 121.582 0.586 25543 4856 1 13 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.122 0.045 25543 4857 1 13 . 1 1 28 28 GLU C C 28 174.568 174.568 178.182 -3.614 25543 4858 1 13 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.762 -0.886 25543 4859 1 13 . 1 1 28 28 GLU CB C 28 29.960 29.960 28.926 1.034 25543 4860 1 13 . 1 1 28 28 GLU H H 28 8.316 8.316 8.345 -0.029 25543 4861 1 13 . 1 1 29 29 ALA N N 29 122.950 122.950 122.305 0.645 25543 4862 1 13 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.171 0.032 25543 4863 1 13 . 1 1 29 29 ALA C C 29 176.938 176.938 179.536 -2.598 25543 4864 1 13 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.132 -0.775 25543 4865 1 13 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.108 -0.255 25543 4866 1 13 . 1 1 29 29 ALA H H 29 8.029 8.029 7.836 0.193 25543 4867 1 13 . 1 1 30 30 GLU N N 30 119.092 119.092 116.619 2.473 25543 4868 1 13 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.244 -0.090 25543 4869 1 13 . 1 1 30 30 GLU C C 30 174.531 174.531 177.475 -2.944 25543 4870 1 13 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.455 0.634 25543 4871 1 13 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.484 -0.543 25543 4872 1 13 . 1 1 30 30 GLU H H 30 8.104 8.104 7.843 0.261 25543 4873 1 13 . 1 1 31 31 LEU N N 31 122.322 122.322 119.863 2.459 25543 4874 1 13 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.015 0.273 25543 4875 1 13 . 1 1 31 31 LEU C C 31 176.006 176.006 176.096 -0.090 25543 4876 1 13 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.001 -0.303 25543 4877 1 13 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.632 1.486 25543 4878 1 13 . 1 1 31 31 LEU H H 31 8.016 8.016 8.380 -0.364 25543 4879 1 13 . 1 1 32 32 ILE N N 32 121.365 121.365 118.421 2.944 25543 4880 1 13 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.044 0.108 25543 4881 1 13 . 1 1 32 32 ILE CA C 32 61.344 61.344 63.023 -1.679 25543 4882 1 13 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.744 -0.215 25543 4883 1 13 . 1 1 32 32 ILE H H 32 8.050 8.050 7.625 0.425 25543 4884 1 13 . 1 1 33 33 SER N N 33 120.203 120.203 116.764 3.439 25543 4885 1 13 . 1 1 33 33 SER HA H 33 4.409 4.409 4.330 0.079 25543 4886 1 13 . 1 1 33 33 SER CA C 33 58.468 58.468 58.881 -0.413 25543 4887 1 13 . 1 1 33 33 SER CB C 33 64.021 64.021 61.087 2.934 25543 4888 1 13 . 1 1 33 33 SER H H 33 8.391 8.391 8.305 0.086 25543 4889 1 13 . 1 1 34 34 ASP N N 34 123.136 123.136 123.350 -0.214 25543 4890 1 13 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.210 0.284 25543 4891 1 13 . 1 1 34 34 ASP C C 34 175.121 175.121 177.571 -2.450 25543 4892 1 13 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.487 -1.807 25543 4893 1 13 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.236 -0.558 25543 4894 1 13 . 1 1 34 34 ASP H H 34 8.629 8.629 8.644 -0.015 25543 4895 1 13 . 1 1 35 35 GLU N N 35 121.638 121.638 120.372 1.266 25543 4896 1 13 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.896 0.212 25543 4897 1 13 . 1 1 35 35 GLU C C 35 174.886 174.886 178.180 -3.294 25543 4898 1 13 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.565 -0.980 25543 4899 1 13 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.509 0.024 25543 4900 1 13 . 1 1 35 35 GLU H H 35 8.579 8.579 8.485 0.094 25543 4901 1 13 . 1 1 36 36 ALA N N 36 123.946 123.946 122.142 1.804 25543 4902 1 13 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.927 0.302 25543 4903 1 13 . 1 1 36 36 ALA C C 36 177.012 177.012 180.061 -3.049 25543 4904 1 13 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.272 -1.464 25543 4905 1 13 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.846 0.699 25543 4906 1 13 . 1 1 36 36 ALA H H 36 8.235 8.235 7.788 0.447 25543 4907 1 13 . 1 1 37 37 GLN N N 37 118.885 118.885 117.961 0.924 25543 4908 1 13 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.881 0.245 25543 4909 1 13 . 1 1 37 37 GLN C C 37 174.897 174.897 178.628 -3.731 25543 4910 1 13 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.376 -0.975 25543 4911 1 13 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.737 1.044 25543 4912 1 13 . 1 1 37 37 GLN H H 37 8.295 8.295 7.752 0.543 25543 4913 1 13 . 1 1 38 38 ALA N N 38 124.163 124.163 122.452 1.711 25543 4914 1 13 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.928 0.246 25543 4915 1 13 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.081 -0.985 25543 4916 1 13 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.222 0.234 25543 4917 1 13 . 1 1 38 38 ALA H H 38 8.217 8.217 8.248 -0.031 25543 4918 1 13 . 1 1 39 39 ASP N N 39 119.226 119.226 120.297 -1.071 25543 4919 1 13 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.355 0.121 25543 4920 1 13 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.337 -1.493 25543 4921 1 13 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.222 0.757 25543 4922 1 13 . 1 1 39 39 ASP H H 39 8.145 8.145 8.175 -0.030 25543 4923 1 13 . 1 1 40 40 LEU N N 40 121.976 121.976 120.346 1.630 25543 4924 1 13 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.896 0.169 25543 4925 1 13 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.334 -1.204 25543 4926 1 13 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.231 0.731 25543 4927 1 13 . 1 1 40 40 LEU H H 40 8.018 8.018 8.172 -0.154 25543 4928 1 13 . 1 1 41 41 ALA N N 41 121.547 121.547 121.419 0.128 25543 4929 1 13 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.963 0.137 25543 4930 1 13 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.087 -1.028 25543 4931 1 13 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.300 -0.104 25543 4932 1 13 . 1 1 41 41 ALA H H 41 8.076 8.076 8.113 -0.037 25543 4933 1 13 . 1 1 42 42 LEU N N 42 119.599 119.599 119.714 -0.115 25543 4934 1 13 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.971 0.226 25543 4935 1 13 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.723 -1.321 25543 4936 1 13 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.820 0.206 25543 4937 1 13 . 1 1 42 42 LEU H H 42 7.832 7.832 8.207 -0.375 25543 4938 1 13 . 1 1 43 43 ARG N N 43 120.126 120.126 118.212 1.914 25543 4939 1 13 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.037 0.084 25543 4940 1 13 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.840 -1.162 25543 4941 1 13 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.303 -0.109 25543 4942 1 13 . 1 1 43 43 ARG H H 43 8.047 8.047 8.330 -0.283 25543 4943 1 13 . 1 1 44 44 ARG N N 44 120.206 120.206 118.149 2.057 25543 4944 1 13 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.283 -0.044 25543 4945 1 13 . 1 1 44 44 ARG C C 44 173.165 173.165 177.454 -4.289 25543 4946 1 13 . 1 1 44 44 ARG CA C 44 57.111 57.111 58.011 -0.900 25543 4947 1 13 . 1 1 44 44 ARG CB C 44 30.592 30.592 31.335 -0.743 25543 4948 1 13 . 1 1 44 44 ARG H H 44 8.206 8.206 7.919 0.287 25543 4949 1 13 . 1 1 45 45 SER N N 45 116.312 116.312 117.809 -1.497 25543 4950 1 13 . 1 1 45 45 SER HA H 45 4.369 4.369 4.606 -0.237 25543 4951 1 13 . 1 1 45 45 SER C C 45 170.903 170.903 173.932 -3.029 25543 4952 1 13 . 1 1 45 45 SER CA C 45 59.151 59.151 57.618 1.533 25543 4953 1 13 . 1 1 45 45 SER CB C 45 63.539 63.539 62.895 0.644 25543 4954 1 13 . 1 1 45 45 SER H H 45 8.171 8.171 8.592 -0.421 25543 4955 1 13 . 1 1 46 46 LEU N N 46 123.524 123.524 124.589 -1.065 25543 4956 1 13 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.199 0.091 25543 4957 1 13 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.008 -0.289 25543 4958 1 13 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.460 -0.389 25543 4959 1 13 . 1 1 46 46 LEU H H 46 8.168 8.168 7.603 0.565 25543 4960 1 13 . 1 1 47 47 ASP N N 47 119.853 119.853 117.252 2.601 25543 4961 1 13 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.416 0.121 25543 4962 1 13 . 1 1 47 47 ASP C C 47 173.143 173.143 176.616 -3.473 25543 4963 1 13 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.501 -0.762 25543 4964 1 13 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.802 1.135 25543 4965 1 13 . 1 1 47 47 ASP H H 47 8.154 8.154 8.415 -0.261 25543 4966 1 13 . 1 1 48 48 SER N N 48 114.867 114.867 115.115 -0.248 25543 4967 1 13 . 1 1 48 48 SER HA H 48 4.340 4.340 4.073 0.267 25543 4968 1 13 . 1 1 48 48 SER C C 48 170.816 170.816 174.797 -3.981 25543 4969 1 13 . 1 1 48 48 SER CA C 48 58.345 58.345 60.720 -2.375 25543 4970 1 13 . 1 1 48 48 SER CB C 48 63.835 63.835 63.473 0.362 25543 4971 1 13 . 1 1 48 48 SER H H 48 7.960 7.960 7.623 0.337 25543 4972 1 13 . 1 1 49 49 TYR N N 49 123.355 123.355 121.227 2.128 25543 4973 1 13 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.633 0.102 25543 4974 1 13 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.482 0.659 25543 4975 1 13 . 1 1 49 49 TYR CB C 49 38.144 38.144 38.399 -0.255 25543 4976 1 13 . 1 1 49 49 TYR H H 49 8.102 8.102 7.687 0.415 25543 4977 1 13 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.412 0.015 25543 4978 1 13 . 1 1 50 50 PRO C C 50 173.908 173.908 176.224 -2.316 25543 4979 1 13 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.987 0.058 25543 4980 1 13 . 1 1 50 50 PRO CB C 50 31.892 31.892 31.901 -0.010 25543 4981 1 13 . 1 1 51 51 VAL N N 51 120.746 120.746 124.723 -3.977 25543 4982 1 13 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.177 -0.089 25543 4983 1 13 . 1 1 51 51 VAL C C 51 173.504 173.504 176.234 -2.730 25543 4984 1 13 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.664 -0.363 25543 4985 1 13 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.268 0.598 25543 4986 1 13 . 1 1 51 51 VAL H H 51 8.270 8.270 8.319 -0.049 25543 4987 1 13 . 1 1 52 52 SER N N 52 119.837 119.837 121.808 -1.971 25543 4988 1 13 . 1 1 52 52 SER HA H 52 4.429 4.429 4.683 -0.254 25543 4989 1 13 . 1 1 52 52 SER C C 52 171.799 171.799 173.314 -1.515 25543 4990 1 13 . 1 1 52 52 SER CA C 52 58.088 58.088 57.542 0.546 25543 4991 1 13 . 1 1 52 52 SER CB C 52 63.948 63.948 64.461 -0.513 25543 4992 1 13 . 1 1 52 52 SER H H 52 8.493 8.493 8.446 0.047 25543 4993 1 13 . 1 1 53 53 LYS N N 53 123.948 123.948 124.969 -1.021 25543 4994 1 13 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.352 -0.081 25543 4995 1 13 . 1 1 53 53 LYS C C 53 173.547 173.547 176.259 -2.712 25543 4996 1 13 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.072 0.428 25543 4997 1 13 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.331 -0.365 25543 4998 1 13 . 1 1 53 53 LYS H H 53 8.531 8.531 8.496 0.035 25543 4999 1 13 . 1 1 54 54 ASN N N 54 119.853 119.853 124.325 -4.472 25543 5000 1 13 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.636 0.063 25543 5001 1 13 . 1 1 54 54 ASN C C 54 172.115 172.115 175.251 -3.136 25543 5002 1 13 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.337 -0.125 25543 5003 1 13 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.121 0.680 25543 5004 1 13 . 1 1 54 54 ASN H H 54 8.532 8.532 8.727 -0.195 25543 5005 1 13 . 1 1 55 55 ASP N N 55 121.271 121.271 124.013 -2.742 25543 5006 1 13 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.455 0.119 25543 5007 1 13 . 1 1 55 55 ASP C C 55 174.105 174.105 176.976 -2.871 25543 5008 1 13 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.115 -0.956 25543 5009 1 13 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.367 -0.327 25543 5010 1 13 . 1 1 55 55 ASP H H 55 8.297 8.297 8.167 0.130 25543 5011 1 13 . 1 1 56 56 GLY N N 56 109.368 109.368 107.519 1.849 25543 5012 1 13 . 1 1 56 56 GLY C C 56 171.941 171.941 173.812 -1.871 25543 5013 1 13 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.165 0.346 25543 5014 1 13 . 1 1 56 56 GLY H H 56 8.497 8.497 8.364 0.133 25543 5015 1 13 . 1 1 57 57 THR N N 57 113.628 113.628 113.210 0.418 25543 5016 1 13 . 1 1 57 57 THR HA H 57 4.275 4.275 4.448 -0.173 25543 5017 1 13 . 1 1 57 57 THR C C 57 171.744 171.744 173.915 -2.171 25543 5018 1 13 . 1 1 57 57 THR CA C 57 62.240 62.240 61.604 0.636 25543 5019 1 13 . 1 1 57 57 THR CB C 57 69.941 69.941 70.160 -0.219 25543 5020 1 13 . 1 1 57 57 THR H H 57 8.156 8.156 7.731 0.425 25543 5021 1 13 . 1 1 58 58 ARG N N 58 124.521 124.521 127.356 -2.835 25543 5022 1 13 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.728 -0.108 25543 5023 1 13 . 1 1 58 58 ARG C C 58 171.187 171.187 175.356 -4.169 25543 5024 1 13 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.900 -0.931 25543 5025 1 13 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.117 0.028 25543 5026 1 13 . 1 1 58 58 ARG H H 58 8.322 8.322 8.553 -0.231 25543 5027 1 13 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.474 -0.092 25543 5028 1 13 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.415 0.488 25543 5029 1 13 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.798 -0.605 25543 5030 1 13 . 1 1 60 60 LYS N N 60 122.142 122.142 119.915 2.227 25543 5031 1 13 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.517 -0.314 25543 5032 1 13 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.772 0.556 25543 5033 1 13 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.252 -0.447 25543 5034 1 13 . 1 1 60 60 LYS H H 60 8.513 8.513 8.370 0.143 25543 5035 1 13 . 1 1 61 61 MET N N 61 122.695 122.695 125.267 -2.572 25543 5036 1 13 . 1 1 61 61 MET HA H 61 4.598 4.598 4.559 0.039 25543 5037 1 13 . 1 1 61 61 MET C C 61 173.077 173.077 175.937 -2.860 25543 5038 1 13 . 1 1 61 61 MET CA C 61 55.296 55.296 53.800 1.496 25543 5039 1 13 . 1 1 61 61 MET CB C 61 34.491 34.491 33.384 1.107 25543 5040 1 13 . 1 1 61 61 MET H H 61 8.446 8.446 8.500 -0.054 25543 5041 1 13 . 1 1 62 62 THR N N 62 115.170 115.170 115.918 -0.748 25543 5042 1 13 . 1 1 62 62 THR HA H 62 4.620 4.620 4.550 0.070 25543 5043 1 13 . 1 1 62 62 THR C C 62 170.881 170.881 174.566 -3.685 25543 5044 1 13 . 1 1 62 62 THR CA C 62 59.858 59.858 59.437 0.421 25543 5045 1 13 . 1 1 62 62 THR CB C 62 68.752 68.752 69.171 -0.419 25543 5046 1 13 . 1 1 62 62 THR H H 62 8.437 8.437 8.122 0.315 25543 5047 1 13 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.043 0.231 25543 5048 1 13 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.592 -0.218 25543 5049 1 13 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.838 -0.075 25543 5050 1 13 . 1 1 64 64 GLU N N 64 118.596 118.596 116.687 1.909 25543 5051 1 13 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.032 0.031 25543 5052 1 13 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.802 -0.189 25543 5053 1 13 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.310 -0.293 25543 5054 1 13 . 1 1 64 64 GLU H H 64 8.813 8.813 8.826 -0.013 25543 5055 1 13 . 1 1 65 65 GLN N N 65 121.250 121.250 118.567 2.683 25543 5056 1 13 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.000 0.046 25543 5057 1 13 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.142 -1.026 25543 5058 1 13 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.742 -0.031 25543 5059 1 13 . 1 1 65 65 GLN H H 65 7.964 7.964 8.236 -0.272 25543 5060 1 13 . 1 1 66 66 MET N N 66 120.082 120.082 117.392 2.690 25543 5061 1 13 . 1 1 66 66 MET HA H 66 4.156 4.156 4.007 0.149 25543 5062 1 13 . 1 1 66 66 MET CA C 66 58.241 58.241 58.756 -0.515 25543 5063 1 13 . 1 1 66 66 MET CB C 66 32.558 32.558 31.856 0.702 25543 5064 1 13 . 1 1 66 66 MET H H 66 8.429 8.429 7.740 0.689 25543 5065 1 13 . 1 1 67 67 ALA N N 67 122.222 122.222 123.160 -0.938 25543 5066 1 13 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.972 0.185 25543 5067 1 13 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.055 -0.784 25543 5068 1 13 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.988 0.290 25543 5069 1 13 . 1 1 67 67 ALA H H 67 8.106 8.106 8.236 -0.130 25543 5070 1 13 . 1 1 68 68 LYS N N 68 120.031 120.031 119.305 0.726 25543 5071 1 13 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.887 0.240 25543 5072 1 13 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.833 -1.460 25543 5073 1 13 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.384 0.220 25543 5074 1 13 . 1 1 68 68 LYS H H 68 7.815 7.815 7.944 -0.129 25543 5075 1 13 . 1 1 69 69 GLU N N 69 119.896 119.896 118.529 1.367 25543 5076 1 13 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.078 0.045 25543 5077 1 13 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.363 -0.814 25543 5078 1 13 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.410 0.000 25543 5079 1 13 . 1 1 69 69 GLU H H 69 8.149 8.149 8.209 -0.060 25543 5080 1 13 . 1 1 70 70 MET N N 70 119.261 119.261 119.046 0.215 25543 5081 1 13 . 1 1 70 70 MET HA H 70 4.434 4.434 4.066 0.368 25543 5082 1 13 . 1 1 70 70 MET C C 70 174.607 174.607 178.733 -4.126 25543 5083 1 13 . 1 1 70 70 MET CA C 70 56.884 56.884 59.474 -2.590 25543 5084 1 13 . 1 1 70 70 MET CB C 70 32.159 32.159 32.468 -0.309 25543 5085 1 13 . 1 1 70 70 MET H H 70 8.215 8.215 8.582 -0.367 25543 5086 1 13 . 1 1 71 71 SER N N 71 115.618 115.618 114.647 0.971 25543 5087 1 13 . 1 1 71 71 SER HA H 71 4.265 4.265 4.140 0.125 25543 5088 1 13 . 1 1 71 71 SER CA C 71 60.463 60.463 61.871 -1.408 25543 5089 1 13 . 1 1 71 71 SER CB C 71 63.135 63.135 62.776 0.359 25543 5090 1 13 . 1 1 71 71 SER H H 71 8.161 8.161 8.637 -0.476 25543 5091 1 13 . 1 1 72 72 GLU N N 72 122.328 122.328 120.844 1.484 25543 5092 1 13 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.190 -0.077 25543 5093 1 13 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.514 -0.398 25543 5094 1 13 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.821 -0.394 25543 5095 1 13 . 1 1 72 72 GLU H H 72 8.247 8.247 8.084 0.163 25543 5096 1 13 . 1 1 73 73 PHE N N 73 120.564 120.564 120.398 0.166 25543 5097 1 13 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.234 0.166 25543 5098 1 13 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.703 -1.206 25543 5099 1 13 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.976 -0.794 25543 5100 1 13 . 1 1 73 73 PHE H H 73 8.126 8.126 8.049 0.077 25543 5101 1 13 . 1 1 74 74 LEU N N 74 120.761 120.761 117.911 2.850 25543 5102 1 13 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.129 0.023 25543 5103 1 13 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.546 -0.656 25543 5104 1 13 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.334 0.772 25543 5105 1 13 . 1 1 74 74 LEU H H 74 8.127 8.127 8.247 -0.120 25543 5106 1 13 . 1 1 75 75 SER N N 75 115.178 115.178 113.457 1.721 25543 5107 1 13 . 1 1 75 75 SER HA H 75 4.357 4.357 4.359 -0.002 25543 5108 1 13 . 1 1 75 75 SER CA C 75 58.921 58.921 59.064 -0.143 25543 5109 1 13 . 1 1 75 75 SER CB C 75 63.534 63.534 63.826 -0.292 25543 5110 1 13 . 1 1 75 75 SER H H 75 8.003 8.003 7.629 0.374 25543 5111 1 13 . 1 1 76 76 ARG N N 76 122.367 122.367 122.516 -0.149 25543 5112 1 13 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.171 0.143 25543 5113 1 13 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.819 -0.413 25543 5114 1 13 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.310 0.522 25543 5115 1 13 . 1 1 76 76 ARG H H 76 7.985 7.985 8.500 -0.515 25543 5116 1 13 . 1 1 77 77 GLY N N 77 109.723 109.723 106.614 3.109 25543 5117 1 13 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.319 0.081 25543 5118 1 13 . 1 1 77 77 GLY H H 77 8.151 8.151 7.579 0.572 25543 5119 1 13 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.440 -0.075 25543 5120 1 13 . 1 1 78 78 PRO C C 78 173.976 173.976 175.995 -2.019 25543 5121 1 13 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.510 0.716 25543 5122 1 13 . 1 1 78 78 PRO CB C 78 32.028 32.028 30.499 1.529 25543 5123 1 14 . 1 1 7 7 GLN N N 7 120.283 120.283 121.816 -1.533 25543 5124 1 14 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.953 0.182 25543 5125 1 14 . 1 1 7 7 GLN C C 7 174.902 174.902 178.008 -3.106 25543 5126 1 14 . 1 1 7 7 GLN CA C 7 57.318 57.318 59.062 -1.744 25543 5127 1 14 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.079 0.621 25543 5128 1 14 . 1 1 7 7 GLN H H 7 8.340 8.340 8.814 -0.474 25543 5129 1 14 . 1 1 8 8 GLN N N 8 120.710 120.710 116.366 4.344 25543 5130 1 14 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.028 0.019 25543 5131 1 14 . 1 1 8 8 GLN C C 8 174.564 174.564 178.243 -3.679 25543 5132 1 14 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.898 -0.797 25543 5133 1 14 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.542 0.952 25543 5134 1 14 . 1 1 8 8 GLN H H 8 8.434 8.434 8.779 -0.345 25543 5135 1 14 . 1 1 9 9 ALA N N 9 122.740 122.740 122.920 -0.180 25543 5136 1 14 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.159 0.034 25543 5137 1 14 . 1 1 9 9 ALA C C 9 177.504 177.504 179.559 -2.055 25543 5138 1 14 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.898 -0.316 25543 5139 1 14 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.136 -0.005 25543 5140 1 14 . 1 1 9 9 ALA H H 9 8.144 8.144 7.831 0.313 25543 5141 1 14 . 1 1 10 10 VAL N N 10 120.344 120.344 119.223 1.121 25543 5142 1 14 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.731 0.064 25543 5143 1 14 . 1 1 10 10 VAL C C 10 175.143 175.143 178.019 -2.876 25543 5144 1 14 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.566 -0.140 25543 5145 1 14 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.479 0.589 25543 5146 1 14 . 1 1 10 10 VAL H H 10 7.854 7.854 7.920 -0.066 25543 5147 1 14 . 1 1 11 11 LEU N N 11 121.896 121.896 121.163 0.733 25543 5148 1 14 . 1 1 11 11 LEU HA H 11 4.135 4.135 4.067 0.068 25543 5149 1 14 . 1 1 11 11 LEU C C 11 177.143 177.143 179.215 -2.072 25543 5150 1 14 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.048 -0.358 25543 5151 1 14 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.682 -0.039 25543 5152 1 14 . 1 1 11 11 LEU H H 11 7.936 7.936 8.896 -0.960 25543 5153 1 14 . 1 1 12 12 GLU N N 12 120.197 120.197 118.305 1.892 25543 5154 1 14 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.981 0.159 25543 5155 1 14 . 1 1 12 12 GLU C C 12 175.602 175.602 179.466 -3.864 25543 5156 1 14 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.549 -1.043 25543 5157 1 14 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.132 0.125 25543 5158 1 14 . 1 1 12 12 GLU H H 12 8.310 8.310 7.925 0.385 25543 5159 1 14 . 1 1 13 13 GLN N N 13 120.843 120.843 119.542 1.301 25543 5160 1 14 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.121 -0.203 25543 5161 1 14 . 1 1 13 13 GLN C C 13 174.656 174.656 178.418 -3.762 25543 5162 1 14 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.417 0.004 25543 5163 1 14 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.404 -0.300 25543 5164 1 14 . 1 1 13 13 GLN H H 13 8.073 8.073 8.445 -0.372 25543 5165 1 14 . 1 1 14 14 GLU N N 14 119.589 119.589 120.712 -1.123 25543 5166 1 14 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.969 0.129 25543 5167 1 14 . 1 1 14 14 GLU C C 14 176.412 176.412 178.889 -2.477 25543 5168 1 14 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.828 -0.552 25543 5169 1 14 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.561 -0.242 25543 5170 1 14 . 1 1 14 14 GLU H H 14 8.340 8.340 8.107 0.233 25543 5171 1 14 . 1 1 15 15 ARG N N 15 120.353 120.353 118.462 1.891 25543 5172 1 14 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.972 0.008 25543 5173 1 14 . 1 1 15 15 ARG C C 15 175.896 175.896 178.377 -2.481 25543 5174 1 14 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.252 0.251 25543 5175 1 14 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.832 0.002 25543 5176 1 14 . 1 1 15 15 ARG H H 15 7.995 7.995 8.345 -0.350 25543 5177 1 14 . 1 1 16 16 ARG N N 16 120.490 120.490 120.022 0.468 25543 5178 1 14 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.991 0.043 25543 5179 1 14 . 1 1 16 16 ARG C C 16 176.476 176.476 178.064 -1.588 25543 5180 1 14 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.575 -0.207 25543 5181 1 14 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.968 -0.136 25543 5182 1 14 . 1 1 16 16 ARG H H 16 8.169 8.169 8.108 0.061 25543 5183 1 14 . 1 1 17 17 ASP N N 17 120.965 120.965 119.508 1.457 25543 5184 1 14 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.323 0.116 25543 5185 1 14 . 1 1 17 17 ASP C C 17 176.291 176.291 178.735 -2.444 25543 5186 1 14 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.318 -0.066 25543 5187 1 14 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.533 -0.624 25543 5188 1 14 . 1 1 17 17 ASP H H 17 8.684 8.684 8.371 0.313 25543 5189 1 14 . 1 1 18 18 ARG N N 18 122.128 122.128 119.053 3.075 25543 5190 1 14 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.007 0.124 25543 5191 1 14 . 1 1 18 18 ARG C C 18 175.897 175.897 178.906 -3.009 25543 5192 1 14 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.911 0.242 25543 5193 1 14 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.859 0.268 25543 5194 1 14 . 1 1 18 18 ARG H H 18 8.183 8.183 8.095 0.088 25543 5195 1 14 . 1 1 19 19 GLU N N 19 120.044 120.044 119.826 0.218 25543 5196 1 14 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.000 0.017 25543 5197 1 14 . 1 1 19 19 GLU C C 19 172.902 172.902 179.144 -6.242 25543 5198 1 14 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.497 -0.308 25543 5199 1 14 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.300 0.004 25543 5200 1 14 . 1 1 19 19 GLU H H 19 8.207 8.207 8.043 0.164 25543 5201 1 14 . 1 1 20 20 LEU N N 20 121.172 121.172 120.375 0.797 25543 5202 1 14 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.966 0.166 25543 5203 1 14 . 1 1 20 20 LEU C C 20 174.935 174.935 178.988 -4.053 25543 5204 1 14 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.133 -0.257 25543 5205 1 14 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.172 0.498 25543 5206 1 14 . 1 1 20 20 LEU H H 20 8.102 8.102 8.262 -0.160 25543 5207 1 14 . 1 1 21 21 ALA N N 21 120.754 120.754 121.406 -0.652 25543 5208 1 14 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.911 0.176 25543 5209 1 14 . 1 1 21 21 ALA C C 21 177.689 177.689 180.012 -2.323 25543 5210 1 14 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.009 -0.339 25543 5211 1 14 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.085 -0.098 25543 5212 1 14 . 1 1 21 21 ALA H H 21 7.864 7.864 7.958 -0.094 25543 5213 1 14 . 1 1 22 22 LEU N N 22 119.357 119.357 119.516 -0.159 25543 5214 1 14 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.971 0.206 25543 5215 1 14 . 1 1 22 22 LEU C C 22 175.842 175.842 178.761 -2.919 25543 5216 1 14 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.154 -1.097 25543 5217 1 14 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.886 0.076 25543 5218 1 14 . 1 1 22 22 LEU H H 22 7.901 7.901 8.353 -0.452 25543 5219 1 14 . 1 1 23 23 ARG N N 23 120.416 120.416 119.234 1.182 25543 5220 1 14 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.863 0.288 25543 5221 1 14 . 1 1 23 23 ARG C C 23 176.236 176.236 179.061 -2.825 25543 5222 1 14 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.056 -1.522 25543 5223 1 14 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.171 -0.014 25543 5224 1 14 . 1 1 23 23 ARG H H 23 7.890 7.890 7.919 -0.029 25543 5225 1 14 . 1 1 24 24 ILE N N 24 121.088 121.088 119.210 1.878 25543 5226 1 14 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.599 0.278 25543 5227 1 14 . 1 1 24 24 ILE C C 24 174.946 174.946 177.705 -2.759 25543 5228 1 14 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.909 -1.296 25543 5229 1 14 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.390 0.825 25543 5230 1 14 . 1 1 24 24 ILE H H 24 8.254 8.254 8.149 0.105 25543 5231 1 14 . 1 1 25 25 ALA N N 25 124.216 124.216 122.090 2.126 25543 5232 1 14 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.868 0.354 25543 5233 1 14 . 1 1 25 25 ALA C C 25 176.883 176.883 180.057 -3.174 25543 5234 1 14 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.203 -1.131 25543 5235 1 14 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.162 0.315 25543 5236 1 14 . 1 1 25 25 ALA H H 25 8.053 8.053 8.112 -0.059 25543 5237 1 14 . 1 1 26 26 GLN N N 26 118.617 118.617 115.663 2.954 25543 5238 1 14 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.110 0.093 25543 5239 1 14 . 1 1 26 26 GLN C C 26 174.564 174.564 178.565 -4.001 25543 5240 1 14 . 1 1 26 26 GLN CA C 26 57.219 57.219 57.891 -0.671 25543 5241 1 14 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.067 0.802 25543 5242 1 14 . 1 1 26 26 GLN H H 26 8.269 8.269 8.494 -0.225 25543 5243 1 14 . 1 1 27 27 SER N N 27 116.340 116.340 116.406 -0.066 25543 5244 1 14 . 1 1 27 27 SER HA H 27 4.350 4.350 4.242 0.108 25543 5245 1 14 . 1 1 27 27 SER C C 27 172.902 172.902 176.445 -3.543 25543 5246 1 14 . 1 1 27 27 SER CA C 27 59.941 59.941 61.358 -1.417 25543 5247 1 14 . 1 1 27 27 SER CB C 27 63.458 63.458 62.983 0.475 25543 5248 1 14 . 1 1 27 27 SER H H 27 8.195 8.195 8.266 -0.071 25543 5249 1 14 . 1 1 28 28 GLU N N 28 122.168 122.168 121.314 0.854 25543 5250 1 14 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.095 0.072 25543 5251 1 14 . 1 1 28 28 GLU C C 28 174.568 174.568 178.211 -3.643 25543 5252 1 14 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.794 -0.918 25543 5253 1 14 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.581 0.379 25543 5254 1 14 . 1 1 28 28 GLU H H 28 8.316 8.316 8.547 -0.231 25543 5255 1 14 . 1 1 29 29 ALA N N 29 122.950 122.950 122.106 0.844 25543 5256 1 14 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.208 -0.005 25543 5257 1 14 . 1 1 29 29 ALA C C 29 176.938 176.938 179.005 -2.067 25543 5258 1 14 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.319 -0.963 25543 5259 1 14 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.179 -0.326 25543 5260 1 14 . 1 1 29 29 ALA H H 29 8.029 8.029 8.049 -0.019 25543 5261 1 14 . 1 1 30 30 GLU N N 30 119.092 119.092 116.319 2.773 25543 5262 1 14 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.315 -0.161 25543 5263 1 14 . 1 1 30 30 GLU C C 30 174.531 174.531 177.121 -2.590 25543 5264 1 14 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.211 0.878 25543 5265 1 14 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.620 -0.679 25543 5266 1 14 . 1 1 30 30 GLU H H 30 8.104 8.104 7.755 0.349 25543 5267 1 14 . 1 1 31 31 LEU N N 31 122.322 122.322 119.976 2.346 25543 5268 1 14 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.033 0.255 25543 5269 1 14 . 1 1 31 31 LEU C C 31 176.006 176.006 176.622 -0.616 25543 5270 1 14 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.902 -0.204 25543 5271 1 14 . 1 1 31 31 LEU CB C 31 42.118 42.118 39.565 2.553 25543 5272 1 14 . 1 1 31 31 LEU H H 31 8.016 8.016 8.455 -0.439 25543 5273 1 14 . 1 1 32 32 ILE N N 32 121.365 121.365 120.875 0.490 25543 5274 1 14 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.159 -0.007 25543 5275 1 14 . 1 1 32 32 ILE CA C 32 61.344 61.344 61.938 -0.594 25543 5276 1 14 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.815 -0.285 25543 5277 1 14 . 1 1 32 32 ILE H H 32 8.050 8.050 8.142 -0.092 25543 5278 1 14 . 1 1 33 33 SER N N 33 120.203 120.203 111.797 8.406 25543 5279 1 14 . 1 1 33 33 SER HA H 33 4.409 4.409 4.733 -0.324 25543 5280 1 14 . 1 1 33 33 SER CA C 33 58.468 58.468 57.616 0.852 25543 5281 1 14 . 1 1 33 33 SER CB C 33 64.021 64.021 64.090 -0.069 25543 5282 1 14 . 1 1 33 33 SER H H 33 8.391 8.391 7.990 0.401 25543 5283 1 14 . 1 1 34 34 ASP N N 34 123.136 123.136 122.678 0.458 25543 5284 1 14 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.212 0.282 25543 5285 1 14 . 1 1 34 34 ASP C C 34 175.121 175.121 177.201 -2.080 25543 5286 1 14 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.979 -2.299 25543 5287 1 14 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.252 0.426 25543 5288 1 14 . 1 1 34 34 ASP H H 34 8.629 8.629 8.823 -0.194 25543 5289 1 14 . 1 1 35 35 GLU N N 35 121.638 121.638 119.609 2.029 25543 5290 1 14 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.942 0.166 25543 5291 1 14 . 1 1 35 35 GLU C C 35 174.886 174.886 178.027 -3.141 25543 5292 1 14 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.066 -0.481 25543 5293 1 14 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.856 0.677 25543 5294 1 14 . 1 1 35 35 GLU H H 35 8.579 8.579 8.216 0.363 25543 5295 1 14 . 1 1 36 36 ALA N N 36 123.946 123.946 122.700 1.246 25543 5296 1 14 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.926 0.303 25543 5297 1 14 . 1 1 36 36 ALA C C 36 177.012 177.012 180.156 -3.144 25543 5298 1 14 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.269 -1.461 25543 5299 1 14 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.925 0.620 25543 5300 1 14 . 1 1 36 36 ALA H H 36 8.235 8.235 8.355 -0.120 25543 5301 1 14 . 1 1 37 37 GLN N N 37 118.885 118.885 118.226 0.659 25543 5302 1 14 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.980 0.146 25543 5303 1 14 . 1 1 37 37 GLN C C 37 174.897 174.897 178.482 -3.585 25543 5304 1 14 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.130 -0.729 25543 5305 1 14 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.941 0.840 25543 5306 1 14 . 1 1 37 37 GLN H H 37 8.295 8.295 7.902 0.393 25543 5307 1 14 . 1 1 38 38 ALA N N 38 124.163 124.163 123.034 1.129 25543 5308 1 14 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.872 0.302 25543 5309 1 14 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.295 -1.199 25543 5310 1 14 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.028 0.428 25543 5311 1 14 . 1 1 38 38 ALA H H 38 8.217 8.217 8.366 -0.149 25543 5312 1 14 . 1 1 39 39 ASP N N 39 119.226 119.226 119.180 0.046 25543 5313 1 14 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.374 0.102 25543 5314 1 14 . 1 1 39 39 ASP CA C 39 55.844 55.844 56.920 -1.077 25543 5315 1 14 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.607 0.372 25543 5316 1 14 . 1 1 39 39 ASP H H 39 8.145 8.145 8.278 -0.133 25543 5317 1 14 . 1 1 40 40 LEU N N 40 121.976 121.976 120.536 1.440 25543 5318 1 14 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.860 0.205 25543 5319 1 14 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.120 -0.990 25543 5320 1 14 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.719 0.243 25543 5321 1 14 . 1 1 40 40 LEU H H 40 8.018 8.018 8.173 -0.155 25543 5322 1 14 . 1 1 41 41 ALA N N 41 121.547 121.547 121.306 0.241 25543 5323 1 14 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.031 0.069 25543 5324 1 14 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.042 -0.984 25543 5325 1 14 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.315 -0.119 25543 5326 1 14 . 1 1 41 41 ALA H H 41 8.076 8.076 8.227 -0.151 25543 5327 1 14 . 1 1 42 42 LEU N N 42 119.599 119.599 118.068 1.531 25543 5328 1 14 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.027 0.170 25543 5329 1 14 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.535 -1.133 25543 5330 1 14 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.861 0.165 25543 5331 1 14 . 1 1 42 42 LEU H H 42 7.832 7.832 7.983 -0.151 25543 5332 1 14 . 1 1 43 43 ARG N N 43 120.126 120.126 117.613 2.513 25543 5333 1 14 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.031 0.090 25543 5334 1 14 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.517 -0.839 25543 5335 1 14 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.721 -0.527 25543 5336 1 14 . 1 1 43 43 ARG H H 43 8.047 8.047 8.168 -0.121 25543 5337 1 14 . 1 1 44 44 ARG N N 44 120.206 120.206 117.943 2.263 25543 5338 1 14 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.131 0.108 25543 5339 1 14 . 1 1 44 44 ARG C C 44 173.165 173.165 176.928 -3.763 25543 5340 1 14 . 1 1 44 44 ARG CA C 44 57.111 57.111 58.034 -0.923 25543 5341 1 14 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.392 0.200 25543 5342 1 14 . 1 1 44 44 ARG H H 44 8.206 8.206 8.266 -0.060 25543 5343 1 14 . 1 1 45 45 SER N N 45 116.312 116.312 115.550 0.762 25543 5344 1 14 . 1 1 45 45 SER HA H 45 4.369 4.369 4.471 -0.102 25543 5345 1 14 . 1 1 45 45 SER C C 45 170.903 170.903 175.397 -4.494 25543 5346 1 14 . 1 1 45 45 SER CA C 45 59.151 59.151 56.999 2.152 25543 5347 1 14 . 1 1 45 45 SER CB C 45 63.539 63.539 62.772 0.767 25543 5348 1 14 . 1 1 45 45 SER H H 45 8.171 8.171 7.590 0.581 25543 5349 1 14 . 1 1 46 46 LEU N N 46 123.524 123.524 127.886 -4.362 25543 5350 1 14 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.262 0.028 25543 5351 1 14 . 1 1 46 46 LEU CA C 46 55.719 55.719 55.720 -0.001 25543 5352 1 14 . 1 1 46 46 LEU CB C 46 42.071 42.071 41.035 1.036 25543 5353 1 14 . 1 1 46 46 LEU H H 46 8.168 8.168 8.346 -0.178 25543 5354 1 14 . 1 1 47 47 ASP N N 47 119.853 119.853 117.487 2.366 25543 5355 1 14 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.494 0.043 25543 5356 1 14 . 1 1 47 47 ASP C C 47 173.143 173.143 177.000 -3.857 25543 5357 1 14 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.643 0.096 25543 5358 1 14 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.770 0.167 25543 5359 1 14 . 1 1 47 47 ASP H H 47 8.154 8.154 8.037 0.117 25543 5360 1 14 . 1 1 48 48 SER N N 48 114.867 114.867 116.464 -1.597 25543 5361 1 14 . 1 1 48 48 SER HA H 48 4.340 4.340 4.189 0.151 25543 5362 1 14 . 1 1 48 48 SER C C 48 170.816 170.816 175.581 -4.765 25543 5363 1 14 . 1 1 48 48 SER CA C 48 58.345 58.345 60.968 -2.623 25543 5364 1 14 . 1 1 48 48 SER CB C 48 63.835 63.835 63.287 0.548 25543 5365 1 14 . 1 1 48 48 SER H H 48 7.960 7.960 7.586 0.374 25543 5366 1 14 . 1 1 49 49 TYR N N 49 123.355 123.355 122.646 0.709 25543 5367 1 14 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.588 0.147 25543 5368 1 14 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.588 0.553 25543 5369 1 14 . 1 1 49 49 TYR CB C 49 38.144 38.144 38.229 -0.085 25543 5370 1 14 . 1 1 49 49 TYR H H 49 8.102 8.102 8.260 -0.158 25543 5371 1 14 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.342 0.085 25543 5372 1 14 . 1 1 50 50 PRO C C 50 173.908 173.908 176.159 -2.251 25543 5373 1 14 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.023 0.022 25543 5374 1 14 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.007 -0.115 25543 5375 1 14 . 1 1 51 51 VAL N N 51 120.746 120.746 123.789 -3.043 25543 5376 1 14 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.151 -0.063 25543 5377 1 14 . 1 1 51 51 VAL C C 51 173.504 173.504 176.033 -2.529 25543 5378 1 14 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.571 -0.269 25543 5379 1 14 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.884 -0.018 25543 5380 1 14 . 1 1 51 51 VAL H H 51 8.270 8.270 8.213 0.057 25543 5381 1 14 . 1 1 52 52 SER N N 52 119.837 119.837 124.169 -4.332 25543 5382 1 14 . 1 1 52 52 SER HA H 52 4.429 4.429 4.644 -0.215 25543 5383 1 14 . 1 1 52 52 SER C C 52 171.799 171.799 173.229 -1.430 25543 5384 1 14 . 1 1 52 52 SER CA C 52 58.088 58.088 58.418 -0.330 25543 5385 1 14 . 1 1 52 52 SER CB C 52 63.948 63.948 64.991 -1.043 25543 5386 1 14 . 1 1 52 52 SER H H 52 8.493 8.493 8.482 0.011 25543 5387 1 14 . 1 1 53 53 LYS N N 53 123.948 123.948 120.408 3.540 25543 5388 1 14 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.369 -0.098 25543 5389 1 14 . 1 1 53 53 LYS C C 53 173.547 173.547 175.209 -1.662 25543 5390 1 14 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.536 0.964 25543 5391 1 14 . 1 1 53 53 LYS CB C 53 32.967 32.967 34.411 -1.444 25543 5392 1 14 . 1 1 53 53 LYS H H 53 8.531 8.531 8.194 0.337 25543 5393 1 14 . 1 1 54 54 ASN N N 54 119.853 119.853 118.341 1.512 25543 5394 1 14 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.513 0.186 25543 5395 1 14 . 1 1 54 54 ASN C C 54 172.115 172.115 174.347 -2.232 25543 5396 1 14 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.465 -1.253 25543 5397 1 14 . 1 1 54 54 ASN CB C 54 38.801 38.801 37.568 1.233 25543 5398 1 14 . 1 1 54 54 ASN H H 54 8.532 8.532 8.812 -0.280 25543 5399 1 14 . 1 1 55 55 ASP N N 55 121.271 121.271 119.220 2.051 25543 5400 1 14 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.790 -0.216 25543 5401 1 14 . 1 1 55 55 ASP C C 55 174.105 174.105 176.868 -2.763 25543 5402 1 14 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.018 0.141 25543 5403 1 14 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.127 -0.087 25543 5404 1 14 . 1 1 55 55 ASP H H 55 8.297 8.297 8.090 0.207 25543 5405 1 14 . 1 1 56 56 GLY N N 56 109.368 109.368 108.907 0.461 25543 5406 1 14 . 1 1 56 56 GLY C C 56 171.941 171.941 174.707 -2.766 25543 5407 1 14 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.705 -0.194 25543 5408 1 14 . 1 1 56 56 GLY H H 56 8.497 8.497 8.391 0.106 25543 5409 1 14 . 1 1 57 57 THR N N 57 113.628 113.628 112.881 0.747 25543 5410 1 14 . 1 1 57 57 THR HA H 57 4.275 4.275 4.311 -0.036 25543 5411 1 14 . 1 1 57 57 THR C C 57 171.744 171.744 174.014 -2.270 25543 5412 1 14 . 1 1 57 57 THR CA C 57 62.240 62.240 61.317 0.923 25543 5413 1 14 . 1 1 57 57 THR CB C 57 69.941 69.941 69.548 0.393 25543 5414 1 14 . 1 1 57 57 THR H H 57 8.156 8.156 7.552 0.604 25543 5415 1 14 . 1 1 58 58 ARG N N 58 124.521 124.521 125.303 -0.782 25543 5416 1 14 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.603 0.017 25543 5417 1 14 . 1 1 58 58 ARG C C 58 171.187 171.187 175.862 -4.675 25543 5418 1 14 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.782 -0.813 25543 5419 1 14 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.161 -0.015 25543 5420 1 14 . 1 1 58 58 ARG H H 58 8.322 8.322 8.281 0.041 25543 5421 1 14 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.459 -0.077 25543 5422 1 14 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.611 0.292 25543 5423 1 14 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.745 -0.552 25543 5424 1 14 . 1 1 60 60 LYS N N 60 122.142 122.142 120.198 1.944 25543 5425 1 14 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.465 -0.262 25543 5426 1 14 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.788 0.540 25543 5427 1 14 . 1 1 60 60 LYS CB C 60 32.805 32.805 34.026 -1.220 25543 5428 1 14 . 1 1 60 60 LYS H H 60 8.513 8.513 8.235 0.278 25543 5429 1 14 . 1 1 61 61 MET N N 61 122.695 122.695 124.529 -1.834 25543 5430 1 14 . 1 1 61 61 MET HA H 61 4.598 4.598 4.552 0.046 25543 5431 1 14 . 1 1 61 61 MET C C 61 173.077 173.077 176.324 -3.247 25543 5432 1 14 . 1 1 61 61 MET CA C 61 55.296 55.296 54.520 0.776 25543 5433 1 14 . 1 1 61 61 MET CB C 61 34.491 34.491 33.229 1.262 25543 5434 1 14 . 1 1 61 61 MET H H 61 8.446 8.446 8.400 0.046 25543 5435 1 14 . 1 1 62 62 THR N N 62 115.170 115.170 115.927 -0.757 25543 5436 1 14 . 1 1 62 62 THR HA H 62 4.620 4.620 4.563 0.057 25543 5437 1 14 . 1 1 62 62 THR C C 62 170.881 170.881 174.423 -3.542 25543 5438 1 14 . 1 1 62 62 THR CA C 62 59.858 59.858 59.251 0.607 25543 5439 1 14 . 1 1 62 62 THR CB C 62 68.752 68.752 68.702 0.050 25543 5440 1 14 . 1 1 62 62 THR H H 62 8.437 8.437 8.232 0.205 25543 5441 1 14 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.184 0.090 25543 5442 1 14 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.545 -0.171 25543 5443 1 14 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.961 -0.198 25543 5444 1 14 . 1 1 64 64 GLU N N 64 118.596 118.596 118.054 0.542 25543 5445 1 14 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.054 0.009 25543 5446 1 14 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.863 -0.250 25543 5447 1 14 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.165 -0.148 25543 5448 1 14 . 1 1 64 64 GLU H H 64 8.813 8.813 8.815 -0.002 25543 5449 1 14 . 1 1 65 65 GLN N N 65 121.250 121.250 118.599 2.651 25543 5450 1 14 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.016 0.030 25543 5451 1 14 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.103 -0.987 25543 5452 1 14 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.608 0.103 25543 5453 1 14 . 1 1 65 65 GLN H H 65 7.964 7.964 7.391 0.573 25543 5454 1 14 . 1 1 66 66 MET N N 66 120.082 120.082 117.415 2.667 25543 5455 1 14 . 1 1 66 66 MET HA H 66 4.156 4.156 4.005 0.151 25543 5456 1 14 . 1 1 66 66 MET CA C 66 58.241 58.241 58.816 -0.575 25543 5457 1 14 . 1 1 66 66 MET CB C 66 32.558 32.558 31.992 0.566 25543 5458 1 14 . 1 1 66 66 MET H H 66 8.429 8.429 8.027 0.402 25543 5459 1 14 . 1 1 67 67 ALA N N 67 122.222 122.222 122.745 -0.523 25543 5460 1 14 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.956 0.201 25543 5461 1 14 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.175 -0.904 25543 5462 1 14 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.950 0.329 25543 5463 1 14 . 1 1 67 67 ALA H H 67 8.106 8.106 8.327 -0.221 25543 5464 1 14 . 1 1 68 68 LYS N N 68 120.031 120.031 119.042 0.989 25543 5465 1 14 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.982 0.145 25543 5466 1 14 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.388 -1.015 25543 5467 1 14 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.280 0.324 25543 5468 1 14 . 1 1 68 68 LYS H H 68 7.815 7.815 7.850 -0.035 25543 5469 1 14 . 1 1 69 69 GLU N N 69 119.896 119.896 119.519 0.377 25543 5470 1 14 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.189 -0.066 25543 5471 1 14 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.300 -0.751 25543 5472 1 14 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.268 0.142 25543 5473 1 14 . 1 1 69 69 GLU H H 69 8.149 8.149 8.420 -0.271 25543 5474 1 14 . 1 1 70 70 MET N N 70 119.261 119.261 119.102 0.159 25543 5475 1 14 . 1 1 70 70 MET HA H 70 4.434 4.434 4.249 0.185 25543 5476 1 14 . 1 1 70 70 MET C C 70 174.607 174.607 178.743 -4.136 25543 5477 1 14 . 1 1 70 70 MET CA C 70 56.884 56.884 58.046 -1.162 25543 5478 1 14 . 1 1 70 70 MET CB C 70 32.159 32.159 31.615 0.544 25543 5479 1 14 . 1 1 70 70 MET H H 70 8.215 8.215 8.373 -0.158 25543 5480 1 14 . 1 1 71 71 SER N N 71 115.618 115.618 114.244 1.374 25543 5481 1 14 . 1 1 71 71 SER HA H 71 4.265 4.265 4.143 0.122 25543 5482 1 14 . 1 1 71 71 SER CA C 71 60.463 60.463 61.457 -0.994 25543 5483 1 14 . 1 1 71 71 SER CB C 71 63.135 63.135 63.016 0.119 25543 5484 1 14 . 1 1 71 71 SER H H 71 8.161 8.161 8.242 -0.081 25543 5485 1 14 . 1 1 72 72 GLU N N 72 122.328 122.328 120.146 2.182 25543 5486 1 14 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.181 -0.068 25543 5487 1 14 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.578 -0.462 25543 5488 1 14 . 1 1 72 72 GLU CB C 72 29.427 29.427 30.084 -0.657 25543 5489 1 14 . 1 1 72 72 GLU H H 72 8.247 8.247 7.924 0.323 25543 5490 1 14 . 1 1 73 73 PHE N N 73 120.564 120.564 120.590 -0.026 25543 5491 1 14 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.280 0.120 25543 5492 1 14 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.841 -1.344 25543 5493 1 14 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.643 -0.461 25543 5494 1 14 . 1 1 73 73 PHE H H 73 8.126 8.126 8.367 -0.241 25543 5495 1 14 . 1 1 74 74 LEU N N 74 120.761 120.761 117.881 2.880 25543 5496 1 14 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.231 -0.079 25543 5497 1 14 . 1 1 74 74 LEU CA C 74 55.890 55.890 55.184 0.705 25543 5498 1 14 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.233 -0.127 25543 5499 1 14 . 1 1 74 74 LEU H H 74 8.127 8.127 8.249 -0.122 25543 5500 1 14 . 1 1 75 75 SER N N 75 115.178 115.178 112.029 3.149 25543 5501 1 14 . 1 1 75 75 SER HA H 75 4.357 4.357 4.088 0.269 25543 5502 1 14 . 1 1 75 75 SER CA C 75 58.921 58.921 58.029 0.892 25543 5503 1 14 . 1 1 75 75 SER CB C 75 63.534 63.534 63.607 -0.073 25543 5504 1 14 . 1 1 75 75 SER H H 75 8.003 8.003 7.308 0.695 25543 5505 1 14 . 1 1 76 76 ARG N N 76 122.367 122.367 123.238 -0.871 25543 5506 1 14 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.407 -0.093 25543 5507 1 14 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.498 -0.092 25543 5508 1 14 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.661 0.171 25543 5509 1 14 . 1 1 76 76 ARG H H 76 7.985 7.985 8.415 -0.430 25543 5510 1 14 . 1 1 77 77 GLY N N 77 109.723 109.723 106.751 2.972 25543 5511 1 14 . 1 1 77 77 GLY CA C 77 44.400 44.400 43.984 0.416 25543 5512 1 14 . 1 1 77 77 GLY H H 77 8.151 8.151 8.151 -0.000 25543 5513 1 14 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.108 0.257 25543 5514 1 14 . 1 1 78 78 PRO C C 78 173.976 173.976 176.837 -2.861 25543 5515 1 14 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.410 -0.184 25543 5516 1 14 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.253 0.775 25543 5517 1 15 . 1 1 7 7 GLN N N 7 120.283 120.283 122.238 -1.955 25543 5518 1 15 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.995 0.140 25543 5519 1 15 . 1 1 7 7 GLN C C 7 174.902 174.902 178.162 -3.260 25543 5520 1 15 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.634 -1.316 25543 5521 1 15 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.659 1.041 25543 5522 1 15 . 1 1 7 7 GLN H H 7 8.340 8.340 8.885 -0.545 25543 5523 1 15 . 1 1 8 8 GLN N N 8 120.710 120.710 117.257 3.453 25543 5524 1 15 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.037 0.010 25543 5525 1 15 . 1 1 8 8 GLN C C 8 174.564 174.564 178.199 -3.635 25543 5526 1 15 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.780 -0.679 25543 5527 1 15 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.766 0.728 25543 5528 1 15 . 1 1 8 8 GLN H H 8 8.434 8.434 8.785 -0.351 25543 5529 1 15 . 1 1 9 9 ALA N N 9 122.740 122.740 123.082 -0.342 25543 5530 1 15 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.074 0.119 25543 5531 1 15 . 1 1 9 9 ALA C C 9 177.504 177.504 179.224 -1.720 25543 5532 1 15 . 1 1 9 9 ALA CA C 9 54.582 54.582 55.011 -0.429 25543 5533 1 15 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.335 -0.204 25543 5534 1 15 . 1 1 9 9 ALA H H 9 8.144 8.144 7.752 0.392 25543 5535 1 15 . 1 1 10 10 VAL N N 10 120.344 120.344 119.040 1.304 25543 5536 1 15 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.608 0.187 25543 5537 1 15 . 1 1 10 10 VAL C C 10 175.143 175.143 177.885 -2.742 25543 5538 1 15 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.571 -0.145 25543 5539 1 15 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.900 0.168 25543 5540 1 15 . 1 1 10 10 VAL H H 10 7.854 7.854 7.831 0.023 25543 5541 1 15 . 1 1 11 11 LEU N N 11 121.896 121.896 120.745 1.151 25543 5542 1 15 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.864 0.271 25543 5543 1 15 . 1 1 11 11 LEU C C 11 177.143 177.143 178.595 -1.452 25543 5544 1 15 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.454 -0.764 25543 5545 1 15 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.630 0.013 25543 5546 1 15 . 1 1 11 11 LEU H H 11 7.936 7.936 8.832 -0.896 25543 5547 1 15 . 1 1 12 12 GLU N N 12 120.197 120.197 118.399 1.798 25543 5548 1 15 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.912 0.228 25543 5549 1 15 . 1 1 12 12 GLU C C 12 175.602 175.602 179.410 -3.808 25543 5550 1 15 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.539 -1.033 25543 5551 1 15 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.375 -0.118 25543 5552 1 15 . 1 1 12 12 GLU H H 12 8.310 8.310 7.965 0.345 25543 5553 1 15 . 1 1 13 13 GLN N N 13 120.843 120.843 118.926 1.917 25543 5554 1 15 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.105 -0.187 25543 5555 1 15 . 1 1 13 13 GLN C C 13 174.656 174.656 178.516 -3.860 25543 5556 1 15 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.702 -0.281 25543 5557 1 15 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.396 -0.292 25543 5558 1 15 . 1 1 13 13 GLN H H 13 8.073 8.073 8.460 -0.387 25543 5559 1 15 . 1 1 14 14 GLU N N 14 119.589 119.589 120.181 -0.592 25543 5560 1 15 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.036 0.062 25543 5561 1 15 . 1 1 14 14 GLU C C 14 176.412 176.412 178.901 -2.489 25543 5562 1 15 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.632 -0.356 25543 5563 1 15 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.468 -0.149 25543 5564 1 15 . 1 1 14 14 GLU H H 14 8.340 8.340 8.180 0.160 25543 5565 1 15 . 1 1 15 15 ARG N N 15 120.353 120.353 117.813 2.540 25543 5566 1 15 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.980 -0.000 25543 5567 1 15 . 1 1 15 15 ARG C C 15 175.896 175.896 178.458 -2.562 25543 5568 1 15 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.486 0.017 25543 5569 1 15 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.810 0.024 25543 5570 1 15 . 1 1 15 15 ARG H H 15 7.995 7.995 8.360 -0.365 25543 5571 1 15 . 1 1 16 16 ARG N N 16 120.490 120.490 120.129 0.361 25543 5572 1 15 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.015 0.019 25543 5573 1 15 . 1 1 16 16 ARG C C 16 176.476 176.476 177.972 -1.496 25543 5574 1 15 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.536 -0.168 25543 5575 1 15 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.974 -0.142 25543 5576 1 15 . 1 1 16 16 ARG H H 16 8.169 8.169 8.231 -0.062 25543 5577 1 15 . 1 1 17 17 ASP N N 17 120.965 120.965 119.298 1.667 25543 5578 1 15 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.290 0.149 25543 5579 1 15 . 1 1 17 17 ASP C C 17 176.291 176.291 178.610 -2.319 25543 5580 1 15 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.635 -0.383 25543 5581 1 15 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.848 -0.939 25543 5582 1 15 . 1 1 17 17 ASP H H 17 8.684 8.684 8.431 0.253 25543 5583 1 15 . 1 1 18 18 ARG N N 18 122.128 122.128 119.403 2.725 25543 5584 1 15 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.981 0.150 25543 5585 1 15 . 1 1 18 18 ARG C C 18 175.897 175.897 178.884 -2.987 25543 5586 1 15 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.470 -0.317 25543 5587 1 15 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.270 -0.143 25543 5588 1 15 . 1 1 18 18 ARG H H 18 8.183 8.183 8.101 0.082 25543 5589 1 15 . 1 1 19 19 GLU N N 19 120.044 120.044 119.719 0.325 25543 5590 1 15 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.960 0.057 25543 5591 1 15 . 1 1 19 19 GLU C C 19 172.902 172.902 179.217 -6.315 25543 5592 1 15 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.549 -0.360 25543 5593 1 15 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.329 -0.025 25543 5594 1 15 . 1 1 19 19 GLU H H 19 8.207 8.207 8.019 0.188 25543 5595 1 15 . 1 1 20 20 LEU N N 20 121.172 121.172 120.152 1.020 25543 5596 1 15 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.974 0.158 25543 5597 1 15 . 1 1 20 20 LEU C C 20 174.935 174.935 179.003 -4.068 25543 5598 1 15 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.069 -0.193 25543 5599 1 15 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.068 0.602 25543 5600 1 15 . 1 1 20 20 LEU H H 20 8.102 8.102 8.249 -0.147 25543 5601 1 15 . 1 1 21 21 ALA N N 21 120.754 120.754 121.453 -0.699 25543 5602 1 15 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.938 0.149 25543 5603 1 15 . 1 1 21 21 ALA C C 21 177.689 177.689 180.098 -2.409 25543 5604 1 15 . 1 1 21 21 ALA CA C 21 54.670 54.670 54.983 -0.313 25543 5605 1 15 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.112 -0.125 25543 5606 1 15 . 1 1 21 21 ALA H H 21 7.864 7.864 8.057 -0.193 25543 5607 1 15 . 1 1 22 22 LEU N N 22 119.357 119.357 119.443 -0.086 25543 5608 1 15 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.000 0.177 25543 5609 1 15 . 1 1 22 22 LEU C C 22 175.842 175.842 178.853 -3.011 25543 5610 1 15 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.088 -1.031 25543 5611 1 15 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.927 0.036 25543 5612 1 15 . 1 1 22 22 LEU H H 22 7.901 7.901 8.499 -0.598 25543 5613 1 15 . 1 1 23 23 ARG N N 23 120.416 120.416 119.258 1.158 25543 5614 1 15 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.836 0.315 25543 5615 1 15 . 1 1 23 23 ARG C C 23 176.236 176.236 178.956 -2.720 25543 5616 1 15 . 1 1 23 23 ARG CA C 23 58.534 58.534 60.176 -1.642 25543 5617 1 15 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.228 -0.071 25543 5618 1 15 . 1 1 23 23 ARG H H 23 7.890 7.890 7.908 -0.018 25543 5619 1 15 . 1 1 24 24 ILE N N 24 121.088 121.088 119.566 1.522 25543 5620 1 15 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.567 0.310 25543 5621 1 15 . 1 1 24 24 ILE C C 24 174.946 174.946 177.764 -2.818 25543 5622 1 15 . 1 1 24 24 ILE CA C 24 63.614 63.614 65.403 -1.788 25543 5623 1 15 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.450 0.765 25543 5624 1 15 . 1 1 24 24 ILE H H 24 8.254 8.254 8.202 0.052 25543 5625 1 15 . 1 1 25 25 ALA N N 25 124.216 124.216 121.463 2.753 25543 5626 1 15 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.842 0.380 25543 5627 1 15 . 1 1 25 25 ALA C C 25 176.883 176.883 179.940 -3.057 25543 5628 1 15 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.345 -1.272 25543 5629 1 15 . 1 1 25 25 ALA CB C 25 18.477 18.477 17.913 0.564 25543 5630 1 15 . 1 1 25 25 ALA H H 25 8.053 8.053 8.047 0.006 25543 5631 1 15 . 1 1 26 26 GLN N N 26 118.617 118.617 116.358 2.259 25543 5632 1 15 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.064 0.139 25543 5633 1 15 . 1 1 26 26 GLN C C 26 174.564 174.564 178.683 -4.119 25543 5634 1 15 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.331 -1.112 25543 5635 1 15 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.573 0.296 25543 5636 1 15 . 1 1 26 26 GLN H H 26 8.269 8.269 8.445 -0.176 25543 5637 1 15 . 1 1 27 27 SER N N 27 116.340 116.340 116.492 -0.152 25543 5638 1 15 . 1 1 27 27 SER HA H 27 4.350 4.350 4.289 0.061 25543 5639 1 15 . 1 1 27 27 SER C C 27 172.902 172.902 176.450 -3.548 25543 5640 1 15 . 1 1 27 27 SER CA C 27 59.941 59.941 61.123 -1.181 25543 5641 1 15 . 1 1 27 27 SER CB C 27 63.458 63.458 63.031 0.428 25543 5642 1 15 . 1 1 27 27 SER H H 27 8.195 8.195 8.269 -0.074 25543 5643 1 15 . 1 1 28 28 GLU N N 28 122.168 122.168 121.146 1.022 25543 5644 1 15 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.059 0.108 25543 5645 1 15 . 1 1 28 28 GLU C C 28 174.568 174.568 178.536 -3.968 25543 5646 1 15 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.858 -0.982 25543 5647 1 15 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.587 0.373 25543 5648 1 15 . 1 1 28 28 GLU H H 28 8.316 8.316 8.467 -0.151 25543 5649 1 15 . 1 1 29 29 ALA N N 29 122.950 122.950 121.978 0.972 25543 5650 1 15 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.177 0.026 25543 5651 1 15 . 1 1 29 29 ALA C C 29 176.938 176.938 179.006 -2.068 25543 5652 1 15 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.317 -0.960 25543 5653 1 15 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.142 -0.289 25543 5654 1 15 . 1 1 29 29 ALA H H 29 8.029 8.029 8.086 -0.057 25543 5655 1 15 . 1 1 30 30 GLU N N 30 119.092 119.092 116.539 2.553 25543 5656 1 15 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.323 -0.169 25543 5657 1 15 . 1 1 30 30 GLU C C 30 174.531 174.531 177.144 -2.613 25543 5658 1 15 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.213 0.876 25543 5659 1 15 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.629 -0.688 25543 5660 1 15 . 1 1 30 30 GLU H H 30 8.104 8.104 7.740 0.364 25543 5661 1 15 . 1 1 31 31 LEU N N 31 122.322 122.322 116.057 6.265 25543 5662 1 15 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.060 0.228 25543 5663 1 15 . 1 1 31 31 LEU C C 31 176.006 176.006 176.658 -0.652 25543 5664 1 15 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.458 -0.760 25543 5665 1 15 . 1 1 31 31 LEU CB C 31 42.118 42.118 39.384 2.734 25543 5666 1 15 . 1 1 31 31 LEU H H 31 8.016 8.016 8.265 -0.249 25543 5667 1 15 . 1 1 32 32 ILE N N 32 121.365 121.365 116.936 4.429 25543 5668 1 15 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.132 0.020 25543 5669 1 15 . 1 1 32 32 ILE CA C 32 61.344 61.344 61.396 -0.052 25543 5670 1 15 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.522 0.007 25543 5671 1 15 . 1 1 32 32 ILE H H 32 8.050 8.050 8.010 0.040 25543 5672 1 15 . 1 1 33 33 SER N N 33 120.203 120.203 117.285 2.918 25543 5673 1 15 . 1 1 33 33 SER HA H 33 4.409 4.409 4.393 0.016 25543 5674 1 15 . 1 1 33 33 SER CA C 33 58.468 58.468 58.370 0.098 25543 5675 1 15 . 1 1 33 33 SER CB C 33 64.021 64.021 61.547 2.474 25543 5676 1 15 . 1 1 33 33 SER H H 33 8.391 8.391 8.404 -0.013 25543 5677 1 15 . 1 1 34 34 ASP N N 34 123.136 123.136 123.870 -0.734 25543 5678 1 15 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.185 0.309 25543 5679 1 15 . 1 1 34 34 ASP C C 34 175.121 175.121 177.759 -2.638 25543 5680 1 15 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.404 -1.724 25543 5681 1 15 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.079 0.599 25543 5682 1 15 . 1 1 34 34 ASP H H 34 8.629 8.629 8.728 -0.099 25543 5683 1 15 . 1 1 35 35 GLU N N 35 121.638 121.638 120.785 0.853 25543 5684 1 15 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.905 0.203 25543 5685 1 15 . 1 1 35 35 GLU C C 35 174.886 174.886 178.141 -3.255 25543 5686 1 15 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.175 -0.590 25543 5687 1 15 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.448 0.085 25543 5688 1 15 . 1 1 35 35 GLU H H 35 8.579 8.579 8.486 0.093 25543 5689 1 15 . 1 1 36 36 ALA N N 36 123.946 123.946 122.084 1.862 25543 5690 1 15 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.952 0.277 25543 5691 1 15 . 1 1 36 36 ALA C C 36 177.012 177.012 179.841 -2.829 25543 5692 1 15 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.632 -1.824 25543 5693 1 15 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.040 0.505 25543 5694 1 15 . 1 1 36 36 ALA H H 36 8.235 8.235 7.865 0.370 25543 5695 1 15 . 1 1 37 37 GLN N N 37 118.885 118.885 118.471 0.414 25543 5696 1 15 . 1 1 37 37 GLN HA H 37 4.126 4.126 4.005 0.121 25543 5697 1 15 . 1 1 37 37 GLN C C 37 174.897 174.897 178.614 -3.717 25543 5698 1 15 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.344 -0.943 25543 5699 1 15 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.852 0.929 25543 5700 1 15 . 1 1 37 37 GLN H H 37 8.295 8.295 7.782 0.513 25543 5701 1 15 . 1 1 38 38 ALA N N 38 124.163 124.163 123.353 0.810 25543 5702 1 15 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.917 0.257 25543 5703 1 15 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.380 -1.284 25543 5704 1 15 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.092 0.364 25543 5705 1 15 . 1 1 38 38 ALA H H 38 8.217 8.217 8.701 -0.484 25543 5706 1 15 . 1 1 39 39 ASP N N 39 119.226 119.226 119.963 -0.737 25543 5707 1 15 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.313 0.163 25543 5708 1 15 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.607 -1.763 25543 5709 1 15 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.527 0.452 25543 5710 1 15 . 1 1 39 39 ASP H H 39 8.145 8.145 8.143 0.002 25543 5711 1 15 . 1 1 40 40 LEU N N 40 121.976 121.976 120.164 1.812 25543 5712 1 15 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.897 0.168 25543 5713 1 15 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.143 -1.013 25543 5714 1 15 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.622 0.340 25543 5715 1 15 . 1 1 40 40 LEU H H 40 8.018 8.018 8.334 -0.316 25543 5716 1 15 . 1 1 41 41 ALA N N 41 121.547 121.547 121.929 -0.382 25543 5717 1 15 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.024 0.076 25543 5718 1 15 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.102 -1.043 25543 5719 1 15 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.552 -0.356 25543 5720 1 15 . 1 1 41 41 ALA H H 41 8.076 8.076 8.273 -0.197 25543 5721 1 15 . 1 1 42 42 LEU N N 42 119.599 119.599 117.754 1.845 25543 5722 1 15 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.031 0.166 25543 5723 1 15 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.229 -0.827 25543 5724 1 15 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.693 0.333 25543 5725 1 15 . 1 1 42 42 LEU H H 42 7.832 7.832 8.276 -0.444 25543 5726 1 15 . 1 1 43 43 ARG N N 43 120.126 120.126 117.962 2.164 25543 5727 1 15 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.024 0.097 25543 5728 1 15 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.437 -0.759 25543 5729 1 15 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.755 -0.561 25543 5730 1 15 . 1 1 43 43 ARG H H 43 8.047 8.047 8.278 -0.231 25543 5731 1 15 . 1 1 44 44 ARG N N 44 120.206 120.206 117.550 2.656 25543 5732 1 15 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.227 0.012 25543 5733 1 15 . 1 1 44 44 ARG C C 44 173.165 173.165 177.638 -4.473 25543 5734 1 15 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.987 -0.876 25543 5735 1 15 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.256 0.336 25543 5736 1 15 . 1 1 44 44 ARG H H 44 8.206 8.206 8.021 0.185 25543 5737 1 15 . 1 1 45 45 SER N N 45 116.312 116.312 118.631 -2.319 25543 5738 1 15 . 1 1 45 45 SER HA H 45 4.369 4.369 4.372 -0.003 25543 5739 1 15 . 1 1 45 45 SER C C 45 170.903 170.903 174.635 -3.732 25543 5740 1 15 . 1 1 45 45 SER CA C 45 59.151 59.151 58.559 0.593 25543 5741 1 15 . 1 1 45 45 SER CB C 45 63.539 63.539 62.554 0.985 25543 5742 1 15 . 1 1 45 45 SER H H 45 8.171 8.171 7.859 0.312 25543 5743 1 15 . 1 1 46 46 LEU N N 46 123.524 123.524 124.864 -1.340 25543 5744 1 15 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.018 0.272 25543 5745 1 15 . 1 1 46 46 LEU CA C 46 55.719 55.719 57.287 -1.568 25543 5746 1 15 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.244 -0.173 25543 5747 1 15 . 1 1 46 46 LEU H H 46 8.168 8.168 7.973 0.195 25543 5748 1 15 . 1 1 47 47 ASP N N 47 119.853 119.853 116.608 3.245 25543 5749 1 15 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.520 0.017 25543 5750 1 15 . 1 1 47 47 ASP C C 47 173.143 173.143 176.463 -3.320 25543 5751 1 15 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.336 -0.597 25543 5752 1 15 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.864 1.073 25543 5753 1 15 . 1 1 47 47 ASP H H 47 8.154 8.154 8.239 -0.085 25543 5754 1 15 . 1 1 48 48 SER N N 48 114.867 114.867 114.681 0.186 25543 5755 1 15 . 1 1 48 48 SER HA H 48 4.340 4.340 4.238 0.102 25543 5756 1 15 . 1 1 48 48 SER C C 48 170.816 170.816 175.441 -4.625 25543 5757 1 15 . 1 1 48 48 SER CA C 48 58.345 58.345 59.791 -1.446 25543 5758 1 15 . 1 1 48 48 SER CB C 48 63.835 63.835 63.534 0.301 25543 5759 1 15 . 1 1 48 48 SER H H 48 7.960 7.960 7.767 0.193 25543 5760 1 15 . 1 1 49 49 TYR N N 49 123.355 123.355 125.041 -1.686 25543 5761 1 15 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.393 0.342 25543 5762 1 15 . 1 1 49 49 TYR CA C 49 56.141 56.141 57.917 -1.776 25543 5763 1 15 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.530 0.614 25543 5764 1 15 . 1 1 49 49 TYR H H 49 8.102 8.102 7.253 0.849 25543 5765 1 15 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.319 0.108 25543 5766 1 15 . 1 1 50 50 PRO C C 50 173.908 173.908 176.228 -2.320 25543 5767 1 15 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.397 -0.352 25543 5768 1 15 . 1 1 50 50 PRO CB C 50 31.892 31.892 31.435 0.457 25543 5769 1 15 . 1 1 51 51 VAL N N 51 120.746 120.746 121.284 -0.538 25543 5770 1 15 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.291 -0.203 25543 5771 1 15 . 1 1 51 51 VAL C C 51 173.504 173.504 175.402 -1.898 25543 5772 1 15 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.650 0.652 25543 5773 1 15 . 1 1 51 51 VAL CB C 51 32.866 32.866 30.721 2.145 25543 5774 1 15 . 1 1 51 51 VAL H H 51 8.270 8.270 8.192 0.078 25543 5775 1 15 . 1 1 52 52 SER N N 52 119.837 119.837 122.726 -2.889 25543 5776 1 15 . 1 1 52 52 SER HA H 52 4.429 4.429 4.765 -0.336 25543 5777 1 15 . 1 1 52 52 SER C C 52 171.799 171.799 173.865 -2.066 25543 5778 1 15 . 1 1 52 52 SER CA C 52 58.088 58.088 57.865 0.223 25543 5779 1 15 . 1 1 52 52 SER CB C 52 63.948 63.948 64.598 -0.650 25543 5780 1 15 . 1 1 52 52 SER H H 52 8.493 8.493 8.186 0.307 25543 5781 1 15 . 1 1 53 53 LYS N N 53 123.948 123.948 123.571 0.377 25543 5782 1 15 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.425 -0.154 25543 5783 1 15 . 1 1 53 53 LYS C C 53 173.547 173.547 176.053 -2.506 25543 5784 1 15 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.996 0.504 25543 5785 1 15 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.603 -0.637 25543 5786 1 15 . 1 1 53 53 LYS H H 53 8.531 8.531 8.456 0.075 25543 5787 1 15 . 1 1 54 54 ASN N N 54 119.853 119.853 120.521 -0.668 25543 5788 1 15 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.319 0.380 25543 5789 1 15 . 1 1 54 54 ASN C C 54 172.115 172.115 173.966 -1.851 25543 5790 1 15 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.202 -0.990 25543 5791 1 15 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.141 0.660 25543 5792 1 15 . 1 1 54 54 ASN H H 54 8.532 8.532 8.762 -0.230 25543 5793 1 15 . 1 1 55 55 ASP N N 55 121.271 121.271 118.567 2.704 25543 5794 1 15 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.681 -0.107 25543 5795 1 15 . 1 1 55 55 ASP C C 55 174.105 174.105 176.364 -2.259 25543 5796 1 15 . 1 1 55 55 ASP CA C 55 54.159 54.159 53.802 0.357 25543 5797 1 15 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.065 -0.025 25543 5798 1 15 . 1 1 55 55 ASP H H 55 8.297 8.297 8.060 0.237 25543 5799 1 15 . 1 1 56 56 GLY N N 56 109.368 109.368 111.205 -1.837 25543 5800 1 15 . 1 1 56 56 GLY C C 56 171.941 171.941 174.254 -2.313 25543 5801 1 15 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.036 0.475 25543 5802 1 15 . 1 1 56 56 GLY H H 56 8.497 8.497 8.249 0.248 25543 5803 1 15 . 1 1 57 57 THR N N 57 113.628 113.628 115.289 -1.661 25543 5804 1 15 . 1 1 57 57 THR HA H 57 4.275 4.275 3.882 0.393 25543 5805 1 15 . 1 1 57 57 THR C C 57 171.744 171.744 174.253 -2.509 25543 5806 1 15 . 1 1 57 57 THR CA C 57 62.240 62.240 63.156 -0.916 25543 5807 1 15 . 1 1 57 57 THR CB C 57 69.941 69.941 67.213 2.728 25543 5808 1 15 . 1 1 57 57 THR H H 57 8.156 8.156 8.199 -0.043 25543 5809 1 15 . 1 1 58 58 ARG N N 58 124.521 124.521 123.555 0.966 25543 5810 1 15 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.287 0.333 25543 5811 1 15 . 1 1 58 58 ARG C C 58 171.187 171.187 175.519 -4.332 25543 5812 1 15 . 1 1 58 58 ARG CA C 58 53.969 53.969 55.456 -1.487 25543 5813 1 15 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.943 0.203 25543 5814 1 15 . 1 1 58 58 ARG H H 58 8.322 8.322 8.321 0.001 25543 5815 1 15 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.419 -0.037 25543 5816 1 15 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.723 0.180 25543 5817 1 15 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.586 -0.393 25543 5818 1 15 . 1 1 60 60 LYS N N 60 122.142 122.142 119.810 2.332 25543 5819 1 15 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.465 -0.262 25543 5820 1 15 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.969 0.359 25543 5821 1 15 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.697 -0.892 25543 5822 1 15 . 1 1 60 60 LYS H H 60 8.513 8.513 8.336 0.177 25543 5823 1 15 . 1 1 61 61 MET N N 61 122.695 122.695 124.766 -2.071 25543 5824 1 15 . 1 1 61 61 MET HA H 61 4.598 4.598 4.491 0.107 25543 5825 1 15 . 1 1 61 61 MET C C 61 173.077 173.077 176.146 -3.069 25543 5826 1 15 . 1 1 61 61 MET CA C 61 55.296 55.296 54.527 0.769 25543 5827 1 15 . 1 1 61 61 MET CB C 61 34.491 34.491 33.441 1.050 25543 5828 1 15 . 1 1 61 61 MET H H 61 8.446 8.446 8.350 0.096 25543 5829 1 15 . 1 1 62 62 THR N N 62 115.170 115.170 117.407 -2.237 25543 5830 1 15 . 1 1 62 62 THR HA H 62 4.620 4.620 4.689 -0.069 25543 5831 1 15 . 1 1 62 62 THR C C 62 170.881 170.881 173.914 -3.033 25543 5832 1 15 . 1 1 62 62 THR CA C 62 59.858 59.858 59.348 0.510 25543 5833 1 15 . 1 1 62 62 THR CB C 62 68.752 68.752 68.864 -0.112 25543 5834 1 15 . 1 1 62 62 THR H H 62 8.437 8.437 8.330 0.107 25543 5835 1 15 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.054 0.220 25543 5836 1 15 . 1 1 63 63 PRO CA C 63 65.374 65.374 66.248 -0.874 25543 5837 1 15 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.846 -0.083 25543 5838 1 15 . 1 1 64 64 GLU N N 64 118.596 118.596 116.738 1.858 25543 5839 1 15 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.956 0.107 25543 5840 1 15 . 1 1 64 64 GLU CA C 64 59.613 59.613 60.099 -0.486 25543 5841 1 15 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.209 -0.192 25543 5842 1 15 . 1 1 64 64 GLU H H 64 8.813 8.813 8.796 0.017 25543 5843 1 15 . 1 1 65 65 GLN N N 65 121.250 121.250 118.109 3.141 25543 5844 1 15 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.954 0.092 25543 5845 1 15 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.901 -0.785 25543 5846 1 15 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.726 -0.015 25543 5847 1 15 . 1 1 65 65 GLN H H 65 7.964 7.964 7.672 0.292 25543 5848 1 15 . 1 1 66 66 MET N N 66 120.082 120.082 117.809 2.273 25543 5849 1 15 . 1 1 66 66 MET HA H 66 4.156 4.156 4.071 0.085 25543 5850 1 15 . 1 1 66 66 MET CA C 66 58.241 58.241 58.794 -0.552 25543 5851 1 15 . 1 1 66 66 MET CB C 66 32.558 32.558 32.243 0.315 25543 5852 1 15 . 1 1 66 66 MET H H 66 8.429 8.429 8.145 0.284 25543 5853 1 15 . 1 1 67 67 ALA N N 67 122.222 122.222 123.628 -1.406 25543 5854 1 15 . 1 1 67 67 ALA HA H 67 4.157 4.157 4.022 0.135 25543 5855 1 15 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.427 -1.156 25543 5856 1 15 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.248 0.031 25543 5857 1 15 . 1 1 67 67 ALA H H 67 8.106 8.106 8.533 -0.427 25543 5858 1 15 . 1 1 68 68 LYS N N 68 120.031 120.031 119.042 0.989 25543 5859 1 15 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.975 0.152 25543 5860 1 15 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.728 -1.355 25543 5861 1 15 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.430 0.174 25543 5862 1 15 . 1 1 68 68 LYS H H 68 7.815 7.815 8.300 -0.485 25543 5863 1 15 . 1 1 69 69 GLU N N 69 119.896 119.896 119.458 0.438 25543 5864 1 15 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.118 0.005 25543 5865 1 15 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.402 -0.853 25543 5866 1 15 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.610 -0.200 25543 5867 1 15 . 1 1 69 69 GLU H H 69 8.149 8.149 8.218 -0.069 25543 5868 1 15 . 1 1 70 70 MET N N 70 119.261 119.261 118.590 0.671 25543 5869 1 15 . 1 1 70 70 MET HA H 70 4.434 4.434 4.181 0.253 25543 5870 1 15 . 1 1 70 70 MET C C 70 174.607 174.607 178.591 -3.984 25543 5871 1 15 . 1 1 70 70 MET CA C 70 56.884 56.884 59.391 -2.507 25543 5872 1 15 . 1 1 70 70 MET CB C 70 32.159 32.159 32.417 -0.258 25543 5873 1 15 . 1 1 70 70 MET H H 70 8.215 8.215 8.549 -0.334 25543 5874 1 15 . 1 1 71 71 SER N N 71 115.618 115.618 116.921 -1.303 25543 5875 1 15 . 1 1 71 71 SER HA H 71 4.265 4.265 4.083 0.182 25543 5876 1 15 . 1 1 71 71 SER CA C 71 60.463 60.463 62.302 -1.839 25543 5877 1 15 . 1 1 71 71 SER CB C 71 63.135 63.135 62.833 0.302 25543 5878 1 15 . 1 1 71 71 SER H H 71 8.161 8.161 8.794 -0.633 25543 5879 1 15 . 1 1 72 72 GLU N N 72 122.328 122.328 121.027 1.301 25543 5880 1 15 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.090 0.023 25543 5881 1 15 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.664 -0.548 25543 5882 1 15 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.629 -0.202 25543 5883 1 15 . 1 1 72 72 GLU H H 72 8.247 8.247 7.789 0.458 25543 5884 1 15 . 1 1 73 73 PHE N N 73 120.564 120.564 119.150 1.414 25543 5885 1 15 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.229 0.171 25543 5886 1 15 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.254 -1.757 25543 5887 1 15 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.658 -0.476 25543 5888 1 15 . 1 1 73 73 PHE H H 73 8.126 8.126 7.880 0.246 25543 5889 1 15 . 1 1 74 74 LEU N N 74 120.761 120.761 116.455 4.306 25543 5890 1 15 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.173 -0.021 25543 5891 1 15 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.993 -1.103 25543 5892 1 15 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.870 0.236 25543 5893 1 15 . 1 1 74 74 LEU H H 74 8.127 8.127 8.355 -0.228 25543 5894 1 15 . 1 1 75 75 SER N N 75 115.178 115.178 113.570 1.608 25543 5895 1 15 . 1 1 75 75 SER HA H 75 4.357 4.357 4.582 -0.225 25543 5896 1 15 . 1 1 75 75 SER CA C 75 58.921 58.921 56.858 2.063 25543 5897 1 15 . 1 1 75 75 SER CB C 75 63.534 63.534 62.457 1.077 25543 5898 1 15 . 1 1 75 75 SER H H 75 8.003 8.003 7.492 0.511 25543 5899 1 15 . 1 1 76 76 ARG N N 76 122.367 122.367 125.275 -2.908 25543 5900 1 15 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.394 -0.080 25543 5901 1 15 . 1 1 76 76 ARG CA C 76 56.406 56.406 55.571 0.835 25543 5902 1 15 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.700 0.132 25543 5903 1 15 . 1 1 76 76 ARG H H 76 7.985 7.985 7.769 0.215 25543 5904 1 15 . 1 1 77 77 GLY N N 77 109.723 109.723 110.743 -1.020 25543 5905 1 15 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.207 0.193 25543 5906 1 15 . 1 1 77 77 GLY H H 77 8.151 8.151 8.498 -0.347 25543 5907 1 15 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.555 -0.190 25543 5908 1 15 . 1 1 78 78 PRO C C 78 173.976 173.976 175.794 -1.818 25543 5909 1 15 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.730 0.496 25543 5910 1 15 . 1 1 78 78 PRO CB C 78 32.028 32.028 30.289 1.739 25543 5911 1 16 . 1 1 7 7 GLN N N 7 120.283 120.283 121.635 -1.352 25543 5912 1 16 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.936 0.199 25543 5913 1 16 . 1 1 7 7 GLN C C 7 174.902 174.902 178.008 -3.106 25543 5914 1 16 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.738 -1.420 25543 5915 1 16 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.048 0.652 25543 5916 1 16 . 1 1 7 7 GLN H H 7 8.340 8.340 8.724 -0.384 25543 5917 1 16 . 1 1 8 8 GLN N N 8 120.710 120.710 117.814 2.896 25543 5918 1 16 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.041 0.006 25543 5919 1 16 . 1 1 8 8 GLN C C 8 174.564 174.564 178.013 -3.449 25543 5920 1 16 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.668 -0.567 25543 5921 1 16 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.834 0.660 25543 5922 1 16 . 1 1 8 8 GLN H H 8 8.434 8.434 8.627 -0.193 25543 5923 1 16 . 1 1 9 9 ALA N N 9 122.740 122.740 122.782 -0.042 25543 5924 1 16 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.391 -0.198 25543 5925 1 16 . 1 1 9 9 ALA C C 9 177.504 177.504 179.726 -2.222 25543 5926 1 16 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.676 -0.094 25543 5927 1 16 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.328 -0.197 25543 5928 1 16 . 1 1 9 9 ALA H H 9 8.144 8.144 7.568 0.576 25543 5929 1 16 . 1 1 10 10 VAL N N 10 120.344 120.344 118.823 1.521 25543 5930 1 16 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.630 0.165 25543 5931 1 16 . 1 1 10 10 VAL C C 10 175.143 175.143 177.994 -2.851 25543 5932 1 16 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.585 -0.159 25543 5933 1 16 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.839 0.229 25543 5934 1 16 . 1 1 10 10 VAL H H 10 7.854 7.854 7.823 0.031 25543 5935 1 16 . 1 1 11 11 LEU N N 11 121.896 121.896 120.535 1.361 25543 5936 1 16 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.889 0.246 25543 5937 1 16 . 1 1 11 11 LEU C C 11 177.143 177.143 178.416 -1.273 25543 5938 1 16 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.340 -0.650 25543 5939 1 16 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.724 -0.081 25543 5940 1 16 . 1 1 11 11 LEU H H 11 7.936 7.936 8.794 -0.858 25543 5941 1 16 . 1 1 12 12 GLU N N 12 120.197 120.197 117.924 2.273 25543 5942 1 16 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.920 0.220 25543 5943 1 16 . 1 1 12 12 GLU C C 12 175.602 175.602 178.972 -3.370 25543 5944 1 16 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.213 -0.707 25543 5945 1 16 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.964 0.293 25543 5946 1 16 . 1 1 12 12 GLU H H 12 8.310 8.310 8.107 0.203 25543 5947 1 16 . 1 1 13 13 GLN N N 13 120.843 120.843 120.284 0.559 25543 5948 1 16 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.087 -0.169 25543 5949 1 16 . 1 1 13 13 GLN C C 13 174.656 174.656 178.343 -3.687 25543 5950 1 16 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.711 -0.290 25543 5951 1 16 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.610 -0.506 25543 5952 1 16 . 1 1 13 13 GLN H H 13 8.073 8.073 8.458 -0.385 25543 5953 1 16 . 1 1 14 14 GLU N N 14 119.589 119.589 120.625 -1.036 25543 5954 1 16 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.072 0.026 25543 5955 1 16 . 1 1 14 14 GLU C C 14 176.412 176.412 178.908 -2.496 25543 5956 1 16 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.318 -0.042 25543 5957 1 16 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.032 0.287 25543 5958 1 16 . 1 1 14 14 GLU H H 14 8.340 8.340 8.276 0.064 25543 5959 1 16 . 1 1 15 15 ARG N N 15 120.353 120.353 119.596 0.757 25543 5960 1 16 . 1 1 15 15 ARG HA H 15 3.980 3.980 4.066 -0.086 25543 5961 1 16 . 1 1 15 15 ARG C C 15 175.896 175.896 178.341 -2.445 25543 5962 1 16 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.080 0.423 25543 5963 1 16 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.899 -0.065 25543 5964 1 16 . 1 1 15 15 ARG H H 15 7.995 7.995 8.424 -0.429 25543 5965 1 16 . 1 1 16 16 ARG N N 16 120.490 120.490 120.297 0.193 25543 5966 1 16 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.996 0.038 25543 5967 1 16 . 1 1 16 16 ARG C C 16 176.476 176.476 177.994 -1.518 25543 5968 1 16 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.665 -0.297 25543 5969 1 16 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.924 -0.092 25543 5970 1 16 . 1 1 16 16 ARG H H 16 8.169 8.169 8.103 0.066 25543 5971 1 16 . 1 1 17 17 ASP N N 17 120.965 120.965 119.255 1.710 25543 5972 1 16 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.353 0.086 25543 5973 1 16 . 1 1 17 17 ASP C C 17 176.291 176.291 178.713 -2.422 25543 5974 1 16 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.616 -0.364 25543 5975 1 16 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.877 -0.968 25543 5976 1 16 . 1 1 17 17 ASP H H 17 8.684 8.684 8.067 0.617 25543 5977 1 16 . 1 1 18 18 ARG N N 18 122.128 122.128 119.282 2.846 25543 5978 1 16 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.054 0.077 25543 5979 1 16 . 1 1 18 18 ARG C C 18 175.897 175.897 179.044 -3.147 25543 5980 1 16 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.420 0.733 25543 5981 1 16 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.751 0.376 25543 5982 1 16 . 1 1 18 18 ARG H H 18 8.183 8.183 8.007 0.176 25543 5983 1 16 . 1 1 19 19 GLU N N 19 120.044 120.044 120.048 -0.004 25543 5984 1 16 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.031 -0.014 25543 5985 1 16 . 1 1 19 19 GLU C C 19 172.902 172.902 179.045 -6.143 25543 5986 1 16 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.422 -0.233 25543 5987 1 16 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.374 -0.070 25543 5988 1 16 . 1 1 19 19 GLU H H 19 8.207 8.207 8.233 -0.026 25543 5989 1 16 . 1 1 20 20 LEU N N 20 121.172 121.172 120.409 0.763 25543 5990 1 16 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.929 0.203 25543 5991 1 16 . 1 1 20 20 LEU C C 20 174.935 174.935 179.007 -4.072 25543 5992 1 16 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.217 -0.341 25543 5993 1 16 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.139 0.531 25543 5994 1 16 . 1 1 20 20 LEU H H 20 8.102 8.102 8.217 -0.115 25543 5995 1 16 . 1 1 21 21 ALA N N 21 120.754 120.754 121.213 -0.459 25543 5996 1 16 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.915 0.172 25543 5997 1 16 . 1 1 21 21 ALA C C 21 177.689 177.689 180.011 -2.322 25543 5998 1 16 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.018 -0.348 25543 5999 1 16 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.055 -0.068 25543 6000 1 16 . 1 1 21 21 ALA H H 21 7.864 7.864 7.989 -0.125 25543 6001 1 16 . 1 1 22 22 LEU N N 22 119.357 119.357 119.352 0.005 25543 6002 1 16 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.996 0.181 25543 6003 1 16 . 1 1 22 22 LEU C C 22 175.842 175.842 178.774 -2.932 25543 6004 1 16 . 1 1 22 22 LEU CA C 22 57.057 57.057 57.994 -0.937 25543 6005 1 16 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.903 0.060 25543 6006 1 16 . 1 1 22 22 LEU H H 22 7.901 7.901 7.974 -0.073 25543 6007 1 16 . 1 1 23 23 ARG N N 23 120.416 120.416 119.705 0.711 25543 6008 1 16 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.897 0.254 25543 6009 1 16 . 1 1 23 23 ARG C C 23 176.236 176.236 179.060 -2.824 25543 6010 1 16 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.959 -1.425 25543 6011 1 16 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.122 0.035 25543 6012 1 16 . 1 1 23 23 ARG H H 23 7.890 7.890 8.028 -0.138 25543 6013 1 16 . 1 1 24 24 ILE N N 24 121.088 121.088 119.332 1.756 25543 6014 1 16 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.589 0.288 25543 6015 1 16 . 1 1 24 24 ILE C C 24 174.946 174.946 177.766 -2.820 25543 6016 1 16 . 1 1 24 24 ILE CA C 24 63.614 63.614 65.338 -1.724 25543 6017 1 16 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.486 0.729 25543 6018 1 16 . 1 1 24 24 ILE H H 24 8.254 8.254 8.230 0.024 25543 6019 1 16 . 1 1 25 25 ALA N N 25 124.216 124.216 122.304 1.912 25543 6020 1 16 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.872 0.350 25543 6021 1 16 . 1 1 25 25 ALA C C 25 176.883 176.883 180.011 -3.128 25543 6022 1 16 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.265 -1.192 25543 6023 1 16 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.134 0.343 25543 6024 1 16 . 1 1 25 25 ALA H H 25 8.053 8.053 8.132 -0.079 25543 6025 1 16 . 1 1 26 26 GLN N N 26 118.617 118.617 115.811 2.806 25543 6026 1 16 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.156 0.047 25543 6027 1 16 . 1 1 26 26 GLN C C 26 174.564 174.564 178.805 -4.241 25543 6028 1 16 . 1 1 26 26 GLN CA C 26 57.219 57.219 57.949 -0.730 25543 6029 1 16 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.058 0.811 25543 6030 1 16 . 1 1 26 26 GLN H H 26 8.269 8.269 8.435 -0.167 25543 6031 1 16 . 1 1 27 27 SER N N 27 116.340 116.340 117.017 -0.677 25543 6032 1 16 . 1 1 27 27 SER HA H 27 4.350 4.350 4.257 0.093 25543 6033 1 16 . 1 1 27 27 SER C C 27 172.902 172.902 176.513 -3.611 25543 6034 1 16 . 1 1 27 27 SER CA C 27 59.941 59.941 61.916 -1.974 25543 6035 1 16 . 1 1 27 27 SER CB C 27 63.458 63.458 63.117 0.341 25543 6036 1 16 . 1 1 27 27 SER H H 27 8.195 8.195 8.157 0.038 25543 6037 1 16 . 1 1 28 28 GLU N N 28 122.168 122.168 120.742 1.426 25543 6038 1 16 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.065 0.102 25543 6039 1 16 . 1 1 28 28 GLU C C 28 174.568 174.568 178.212 -3.644 25543 6040 1 16 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.744 -0.868 25543 6041 1 16 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.554 0.406 25543 6042 1 16 . 1 1 28 28 GLU H H 28 8.316 8.316 8.318 -0.002 25543 6043 1 16 . 1 1 29 29 ALA N N 29 122.950 122.950 121.402 1.548 25543 6044 1 16 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.165 0.038 25543 6045 1 16 . 1 1 29 29 ALA C C 29 176.938 176.938 179.145 -2.207 25543 6046 1 16 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.276 -0.920 25543 6047 1 16 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.913 -0.059 25543 6048 1 16 . 1 1 29 29 ALA H H 29 8.029 8.029 8.018 0.011 25543 6049 1 16 . 1 1 30 30 GLU N N 30 119.092 119.092 116.565 2.527 25543 6050 1 16 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.191 -0.037 25543 6051 1 16 . 1 1 30 30 GLU C C 30 174.531 174.531 177.022 -2.491 25543 6052 1 16 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.857 0.232 25543 6053 1 16 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.301 -0.360 25543 6054 1 16 . 1 1 30 30 GLU H H 30 8.104 8.104 7.771 0.333 25543 6055 1 16 . 1 1 31 31 LEU N N 31 122.322 122.322 119.371 2.951 25543 6056 1 16 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.986 0.302 25543 6057 1 16 . 1 1 31 31 LEU C C 31 176.006 176.006 176.292 -0.286 25543 6058 1 16 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.769 -0.071 25543 6059 1 16 . 1 1 31 31 LEU CB C 31 42.118 42.118 41.027 1.091 25543 6060 1 16 . 1 1 31 31 LEU H H 31 8.016 8.016 8.040 -0.024 25543 6061 1 16 . 1 1 32 32 ILE N N 32 121.365 121.365 115.841 5.524 25543 6062 1 16 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.028 0.124 25543 6063 1 16 . 1 1 32 32 ILE CA C 32 61.344 61.344 61.644 -0.299 25543 6064 1 16 . 1 1 32 32 ILE CB C 32 38.529 38.529 37.502 1.027 25543 6065 1 16 . 1 1 32 32 ILE H H 32 8.050 8.050 7.514 0.536 25543 6066 1 16 . 1 1 33 33 SER N N 33 120.203 120.203 117.051 3.152 25543 6067 1 16 . 1 1 33 33 SER HA H 33 4.409 4.409 4.409 -0.000 25543 6068 1 16 . 1 1 33 33 SER CA C 33 58.468 58.468 58.483 -0.015 25543 6069 1 16 . 1 1 33 33 SER CB C 33 64.021 64.021 61.827 2.195 25543 6070 1 16 . 1 1 33 33 SER H H 33 8.391 8.391 8.232 0.159 25543 6071 1 16 . 1 1 34 34 ASP N N 34 123.136 123.136 123.216 -0.080 25543 6072 1 16 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.490 0.004 25543 6073 1 16 . 1 1 34 34 ASP C C 34 175.121 175.121 177.427 -2.306 25543 6074 1 16 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.756 -1.076 25543 6075 1 16 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.329 -0.651 25543 6076 1 16 . 1 1 34 34 ASP H H 34 8.629 8.629 8.234 0.395 25543 6077 1 16 . 1 1 35 35 GLU N N 35 121.638 121.638 119.033 2.605 25543 6078 1 16 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.075 0.033 25543 6079 1 16 . 1 1 35 35 GLU C C 35 174.886 174.886 178.297 -3.411 25543 6080 1 16 . 1 1 35 35 GLU CA C 35 58.585 58.585 58.964 -0.379 25543 6081 1 16 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.956 0.577 25543 6082 1 16 . 1 1 35 35 GLU H H 35 8.579 8.579 8.593 -0.014 25543 6083 1 16 . 1 1 36 36 ALA N N 36 123.946 123.946 122.761 1.185 25543 6084 1 16 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.052 0.177 25543 6085 1 16 . 1 1 36 36 ALA C C 36 177.012 177.012 179.872 -2.860 25543 6086 1 16 . 1 1 36 36 ALA CA C 36 53.808 53.808 54.958 -1.150 25543 6087 1 16 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.198 0.346 25543 6088 1 16 . 1 1 36 36 ALA H H 36 8.235 8.235 7.776 0.459 25543 6089 1 16 . 1 1 37 37 GLN N N 37 118.885 118.885 118.859 0.026 25543 6090 1 16 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.948 0.178 25543 6091 1 16 . 1 1 37 37 GLN C C 37 174.897 174.897 178.694 -3.797 25543 6092 1 16 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.872 -1.471 25543 6093 1 16 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.144 0.637 25543 6094 1 16 . 1 1 37 37 GLN H H 37 8.295 8.295 7.878 0.417 25543 6095 1 16 . 1 1 38 38 ALA N N 38 124.163 124.163 122.254 1.909 25543 6096 1 16 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.947 0.227 25543 6097 1 16 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.061 -0.965 25543 6098 1 16 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.156 0.300 25543 6099 1 16 . 1 1 38 38 ALA H H 38 8.217 8.217 8.517 -0.300 25543 6100 1 16 . 1 1 39 39 ASP N N 39 119.226 119.226 119.442 -0.216 25543 6101 1 16 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.361 0.115 25543 6102 1 16 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.025 -1.181 25543 6103 1 16 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.823 0.156 25543 6104 1 16 . 1 1 39 39 ASP H H 39 8.145 8.145 7.743 0.402 25543 6105 1 16 . 1 1 40 40 LEU N N 40 121.976 121.976 120.227 1.749 25543 6106 1 16 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.813 0.252 25543 6107 1 16 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.007 -0.877 25543 6108 1 16 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.680 0.282 25543 6109 1 16 . 1 1 40 40 LEU H H 40 8.018 8.018 8.099 -0.081 25543 6110 1 16 . 1 1 41 41 ALA N N 41 121.547 121.547 121.435 0.112 25543 6111 1 16 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.984 0.116 25543 6112 1 16 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.000 -0.941 25543 6113 1 16 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.259 -0.063 25543 6114 1 16 . 1 1 41 41 ALA H H 41 8.076 8.076 7.893 0.183 25543 6115 1 16 . 1 1 42 42 LEU N N 42 119.599 119.599 117.406 2.193 25543 6116 1 16 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.968 0.229 25543 6117 1 16 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.625 -1.223 25543 6118 1 16 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.827 0.199 25543 6119 1 16 . 1 1 42 42 LEU H H 42 7.832 7.832 7.884 -0.052 25543 6120 1 16 . 1 1 43 43 ARG N N 43 120.126 120.126 118.781 1.345 25543 6121 1 16 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.133 -0.012 25543 6122 1 16 . 1 1 43 43 ARG CA C 43 57.678 57.678 59.041 -1.363 25543 6123 1 16 . 1 1 43 43 ARG CB C 43 30.194 30.194 29.944 0.250 25543 6124 1 16 . 1 1 43 43 ARG H H 43 8.047 8.047 8.190 -0.143 25543 6125 1 16 . 1 1 44 44 ARG N N 44 120.206 120.206 119.262 0.944 25543 6126 1 16 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.176 0.063 25543 6127 1 16 . 1 1 44 44 ARG C C 44 173.165 173.165 177.315 -4.150 25543 6128 1 16 . 1 1 44 44 ARG CA C 44 57.111 57.111 58.052 -0.941 25543 6129 1 16 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.005 0.587 25543 6130 1 16 . 1 1 44 44 ARG H H 44 8.206 8.206 8.354 -0.148 25543 6131 1 16 . 1 1 45 45 SER N N 45 116.312 116.312 115.399 0.913 25543 6132 1 16 . 1 1 45 45 SER HA H 45 4.369 4.369 4.412 -0.043 25543 6133 1 16 . 1 1 45 45 SER C C 45 170.903 170.903 175.869 -4.966 25543 6134 1 16 . 1 1 45 45 SER CA C 45 59.151 59.151 59.450 -0.299 25543 6135 1 16 . 1 1 45 45 SER CB C 45 63.539 63.539 63.209 0.331 25543 6136 1 16 . 1 1 45 45 SER H H 45 8.171 8.171 7.475 0.696 25543 6137 1 16 . 1 1 46 46 LEU N N 46 123.524 123.524 121.488 2.036 25543 6138 1 16 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.179 0.111 25543 6139 1 16 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.222 -0.503 25543 6140 1 16 . 1 1 46 46 LEU CB C 46 42.071 42.071 40.923 1.148 25543 6141 1 16 . 1 1 46 46 LEU H H 46 8.168 8.168 7.512 0.656 25543 6142 1 16 . 1 1 47 47 ASP N N 47 119.853 119.853 117.303 2.550 25543 6143 1 16 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.498 0.039 25543 6144 1 16 . 1 1 47 47 ASP C C 47 173.143 173.143 176.551 -3.408 25543 6145 1 16 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.486 -0.747 25543 6146 1 16 . 1 1 47 47 ASP CB C 47 40.937 40.937 41.475 -0.538 25543 6147 1 16 . 1 1 47 47 ASP H H 47 8.154 8.154 7.707 0.447 25543 6148 1 16 . 1 1 48 48 SER N N 48 114.867 114.867 116.894 -2.027 25543 6149 1 16 . 1 1 48 48 SER HA H 48 4.340 4.340 4.069 0.271 25543 6150 1 16 . 1 1 48 48 SER C C 48 170.816 170.816 174.411 -3.595 25543 6151 1 16 . 1 1 48 48 SER CA C 48 58.345 58.345 56.932 1.413 25543 6152 1 16 . 1 1 48 48 SER CB C 48 63.835 63.835 62.101 1.734 25543 6153 1 16 . 1 1 48 48 SER H H 48 7.960 7.960 7.335 0.625 25543 6154 1 16 . 1 1 49 49 TYR N N 49 123.355 123.355 123.202 0.153 25543 6155 1 16 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.522 0.213 25543 6156 1 16 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.081 2.059 25543 6157 1 16 . 1 1 49 49 TYR CB C 49 38.144 38.144 36.681 1.463 25543 6158 1 16 . 1 1 49 49 TYR H H 49 8.102 8.102 6.438 1.664 25543 6159 1 16 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.502 -0.075 25543 6160 1 16 . 1 1 50 50 PRO C C 50 173.908 173.908 176.582 -2.674 25543 6161 1 16 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.132 -0.087 25543 6162 1 16 . 1 1 50 50 PRO CB C 50 31.892 31.892 31.810 0.082 25543 6163 1 16 . 1 1 51 51 VAL N N 51 120.746 120.746 119.680 1.066 25543 6164 1 16 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.406 -0.318 25543 6165 1 16 . 1 1 51 51 VAL C C 51 173.504 173.504 175.860 -2.356 25543 6166 1 16 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.037 1.265 25543 6167 1 16 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.853 0.013 25543 6168 1 16 . 1 1 51 51 VAL H H 51 8.270 8.270 8.111 0.159 25543 6169 1 16 . 1 1 52 52 SER N N 52 119.837 119.837 119.008 0.829 25543 6170 1 16 . 1 1 52 52 SER HA H 52 4.429 4.429 4.454 -0.025 25543 6171 1 16 . 1 1 52 52 SER C C 52 171.799 171.799 174.197 -2.398 25543 6172 1 16 . 1 1 52 52 SER CA C 52 58.088 58.088 58.532 -0.444 25543 6173 1 16 . 1 1 52 52 SER CB C 52 63.948 63.948 63.264 0.685 25543 6174 1 16 . 1 1 52 52 SER H H 52 8.493 8.493 8.368 0.125 25543 6175 1 16 . 1 1 53 53 LYS N N 53 123.948 123.948 124.568 -0.620 25543 6176 1 16 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.265 0.006 25543 6177 1 16 . 1 1 53 53 LYS C C 53 173.547 173.547 175.715 -2.168 25543 6178 1 16 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.408 0.092 25543 6179 1 16 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.057 -0.090 25543 6180 1 16 . 1 1 53 53 LYS H H 53 8.531 8.531 8.360 0.171 25543 6181 1 16 . 1 1 54 54 ASN N N 54 119.853 119.853 119.373 0.480 25543 6182 1 16 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.422 0.277 25543 6183 1 16 . 1 1 54 54 ASN C C 54 172.115 172.115 173.921 -1.806 25543 6184 1 16 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.933 -0.721 25543 6185 1 16 . 1 1 54 54 ASN CB C 54 38.801 38.801 37.789 1.012 25543 6186 1 16 . 1 1 54 54 ASN H H 54 8.532 8.532 8.801 -0.269 25543 6187 1 16 . 1 1 55 55 ASP N N 55 121.271 121.271 119.098 2.173 25543 6188 1 16 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.700 -0.126 25543 6189 1 16 . 1 1 55 55 ASP C C 55 174.105 174.105 177.550 -3.445 25543 6190 1 16 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.735 -0.576 25543 6191 1 16 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.626 -0.586 25543 6192 1 16 . 1 1 55 55 ASP H H 55 8.297 8.297 8.235 0.062 25543 6193 1 16 . 1 1 56 56 GLY N N 56 109.368 109.368 109.287 0.081 25543 6194 1 16 . 1 1 56 56 GLY C C 56 171.941 171.941 174.487 -2.546 25543 6195 1 16 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.202 0.309 25543 6196 1 16 . 1 1 56 56 GLY H H 56 8.497 8.497 8.647 -0.150 25543 6197 1 16 . 1 1 57 57 THR N N 57 113.628 113.628 114.348 -0.720 25543 6198 1 16 . 1 1 57 57 THR HA H 57 4.275 4.275 4.333 -0.058 25543 6199 1 16 . 1 1 57 57 THR C C 57 171.744 171.744 173.024 -1.280 25543 6200 1 16 . 1 1 57 57 THR CA C 57 62.240 62.240 61.047 1.193 25543 6201 1 16 . 1 1 57 57 THR CB C 57 69.941 69.941 69.731 0.210 25543 6202 1 16 . 1 1 57 57 THR H H 57 8.156 8.156 7.913 0.243 25543 6203 1 16 . 1 1 58 58 ARG N N 58 124.521 124.521 124.605 -0.084 25543 6204 1 16 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.949 -0.329 25543 6205 1 16 . 1 1 58 58 ARG C C 58 171.187 171.187 175.230 -4.043 25543 6206 1 16 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.288 -0.318 25543 6207 1 16 . 1 1 58 58 ARG CB C 58 30.146 30.146 29.533 0.613 25543 6208 1 16 . 1 1 58 58 ARG H H 58 8.322 8.322 8.223 0.099 25543 6209 1 16 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.391 -0.009 25543 6210 1 16 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.856 0.047 25543 6211 1 16 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.809 -0.616 25543 6212 1 16 . 1 1 60 60 LYS N N 60 122.142 122.142 117.932 4.210 25543 6213 1 16 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.322 -0.119 25543 6214 1 16 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.483 -0.155 25543 6215 1 16 . 1 1 60 60 LYS CB C 60 32.805 32.805 32.914 -0.109 25543 6216 1 16 . 1 1 60 60 LYS H H 60 8.513 8.513 8.347 0.166 25543 6217 1 16 . 1 1 61 61 MET N N 61 122.695 122.695 120.040 2.655 25543 6218 1 16 . 1 1 61 61 MET HA H 61 4.598 4.598 4.655 -0.057 25543 6219 1 16 . 1 1 61 61 MET C C 61 173.077 173.077 175.911 -2.834 25543 6220 1 16 . 1 1 61 61 MET CA C 61 55.296 55.296 53.551 1.745 25543 6221 1 16 . 1 1 61 61 MET CB C 61 34.491 34.491 32.746 1.745 25543 6222 1 16 . 1 1 61 61 MET H H 61 8.446 8.446 7.932 0.514 25543 6223 1 16 . 1 1 62 62 THR N N 62 115.170 115.170 116.924 -1.754 25543 6224 1 16 . 1 1 62 62 THR HA H 62 4.620 4.620 4.521 0.099 25543 6225 1 16 . 1 1 62 62 THR C C 62 170.881 170.881 174.327 -3.446 25543 6226 1 16 . 1 1 62 62 THR CA C 62 59.858 59.858 59.823 0.035 25543 6227 1 16 . 1 1 62 62 THR CB C 62 68.752 68.752 69.036 -0.284 25543 6228 1 16 . 1 1 62 62 THR H H 62 8.437 8.437 8.401 0.036 25543 6229 1 16 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.030 0.244 25543 6230 1 16 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.821 -0.447 25543 6231 1 16 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.851 -0.088 25543 6232 1 16 . 1 1 64 64 GLU N N 64 118.596 118.596 117.253 1.343 25543 6233 1 16 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.986 0.077 25543 6234 1 16 . 1 1 64 64 GLU CA C 64 59.613 59.613 60.040 -0.427 25543 6235 1 16 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.279 -0.262 25543 6236 1 16 . 1 1 64 64 GLU H H 64 8.813 8.813 8.757 0.056 25543 6237 1 16 . 1 1 65 65 GLN N N 65 121.250 121.250 118.542 2.708 25543 6238 1 16 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.974 0.072 25543 6239 1 16 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.064 -0.948 25543 6240 1 16 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.587 0.124 25543 6241 1 16 . 1 1 65 65 GLN H H 65 7.964 7.964 7.948 0.016 25543 6242 1 16 . 1 1 66 66 MET N N 66 120.082 120.082 117.609 2.473 25543 6243 1 16 . 1 1 66 66 MET HA H 66 4.156 4.156 4.111 0.045 25543 6244 1 16 . 1 1 66 66 MET CA C 66 58.241 58.241 58.443 -0.202 25543 6245 1 16 . 1 1 66 66 MET CB C 66 32.558 32.558 31.452 1.106 25543 6246 1 16 . 1 1 66 66 MET H H 66 8.429 8.429 7.685 0.744 25543 6247 1 16 . 1 1 67 67 ALA N N 67 122.222 122.222 122.767 -0.545 25543 6248 1 16 . 1 1 67 67 ALA HA H 67 4.157 4.157 4.012 0.145 25543 6249 1 16 . 1 1 67 67 ALA CA C 67 54.271 54.271 54.842 -0.571 25543 6250 1 16 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.047 0.232 25543 6251 1 16 . 1 1 67 67 ALA H H 67 8.106 8.106 8.137 -0.031 25543 6252 1 16 . 1 1 68 68 LYS N N 68 120.031 120.031 119.710 0.321 25543 6253 1 16 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.976 0.151 25543 6254 1 16 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.342 -0.969 25543 6255 1 16 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.096 0.508 25543 6256 1 16 . 1 1 68 68 LYS H H 68 7.815 7.815 8.514 -0.699 25543 6257 1 16 . 1 1 69 69 GLU N N 69 119.896 119.896 119.376 0.520 25543 6258 1 16 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.969 0.154 25543 6259 1 16 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.468 -0.918 25543 6260 1 16 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.500 -0.090 25543 6261 1 16 . 1 1 69 69 GLU H H 69 8.149 8.149 8.619 -0.470 25543 6262 1 16 . 1 1 70 70 MET N N 70 119.261 119.261 118.799 0.462 25543 6263 1 16 . 1 1 70 70 MET HA H 70 4.434 4.434 4.134 0.300 25543 6264 1 16 . 1 1 70 70 MET C C 70 174.607 174.607 178.838 -4.231 25543 6265 1 16 . 1 1 70 70 MET CA C 70 56.884 56.884 58.199 -1.315 25543 6266 1 16 . 1 1 70 70 MET CB C 70 32.159 32.159 31.630 0.529 25543 6267 1 16 . 1 1 70 70 MET H H 70 8.215 8.215 8.048 0.167 25543 6268 1 16 . 1 1 71 71 SER N N 71 115.618 115.618 116.301 -0.683 25543 6269 1 16 . 1 1 71 71 SER HA H 71 4.265 4.265 4.135 0.130 25543 6270 1 16 . 1 1 71 71 SER CA C 71 60.463 60.463 61.340 -0.877 25543 6271 1 16 . 1 1 71 71 SER CB C 71 63.135 63.135 63.030 0.105 25543 6272 1 16 . 1 1 71 71 SER H H 71 8.161 8.161 8.563 -0.402 25543 6273 1 16 . 1 1 72 72 GLU N N 72 122.328 122.328 119.444 2.884 25543 6274 1 16 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.202 -0.089 25543 6275 1 16 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.254 -0.138 25543 6276 1 16 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.595 -0.168 25543 6277 1 16 . 1 1 72 72 GLU H H 72 8.247 8.247 7.832 0.415 25543 6278 1 16 . 1 1 73 73 PHE N N 73 120.564 120.564 119.385 1.179 25543 6279 1 16 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.215 0.185 25543 6280 1 16 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.837 -1.340 25543 6281 1 16 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.757 -0.575 25543 6282 1 16 . 1 1 73 73 PHE H H 73 8.126 8.126 8.013 0.113 25543 6283 1 16 . 1 1 74 74 LEU N N 74 120.761 120.761 116.206 4.555 25543 6284 1 16 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.214 -0.062 25543 6285 1 16 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.349 -0.459 25543 6286 1 16 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.026 0.080 25543 6287 1 16 . 1 1 74 74 LEU H H 74 8.127 8.127 8.153 -0.026 25543 6288 1 16 . 1 1 75 75 SER N N 75 115.178 115.178 113.590 1.588 25543 6289 1 16 . 1 1 75 75 SER HA H 75 4.357 4.357 4.536 -0.179 25543 6290 1 16 . 1 1 75 75 SER CA C 75 58.921 58.921 56.806 2.115 25543 6291 1 16 . 1 1 75 75 SER CB C 75 63.534 63.534 63.694 -0.160 25543 6292 1 16 . 1 1 75 75 SER H H 75 8.003 8.003 7.192 0.811 25543 6293 1 16 . 1 1 76 76 ARG N N 76 122.367 122.367 126.269 -3.902 25543 6294 1 16 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.010 0.304 25543 6295 1 16 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.807 -0.401 25543 6296 1 16 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.011 0.821 25543 6297 1 16 . 1 1 76 76 ARG H H 76 7.985 7.985 8.513 -0.528 25543 6298 1 16 . 1 1 77 77 GLY N N 77 109.723 109.723 108.835 0.888 25543 6299 1 16 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.562 -0.162 25543 6300 1 16 . 1 1 77 77 GLY H H 77 8.151 8.151 7.585 0.566 25543 6301 1 16 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.459 -0.094 25543 6302 1 16 . 1 1 78 78 PRO C C 78 173.976 173.976 176.317 -2.341 25543 6303 1 16 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.157 0.069 25543 6304 1 16 . 1 1 78 78 PRO CB C 78 32.028 32.028 30.815 1.213 25543 6305 1 17 . 1 1 7 7 GLN N N 7 120.283 120.283 121.317 -1.034 25543 6306 1 17 . 1 1 7 7 GLN HA H 7 4.135 4.135 4.083 0.052 25543 6307 1 17 . 1 1 7 7 GLN C C 7 174.902 174.902 177.953 -3.051 25543 6308 1 17 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.636 -1.318 25543 6309 1 17 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.035 0.666 25543 6310 1 17 . 1 1 7 7 GLN H H 7 8.340 8.340 8.751 -0.411 25543 6311 1 17 . 1 1 8 8 GLN N N 8 120.710 120.710 117.756 2.954 25543 6312 1 17 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.055 -0.008 25543 6313 1 17 . 1 1 8 8 GLN C C 8 174.564 174.564 178.595 -4.031 25543 6314 1 17 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.929 -0.828 25543 6315 1 17 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.448 1.046 25543 6316 1 17 . 1 1 8 8 GLN H H 8 8.434 8.434 8.762 -0.328 25543 6317 1 17 . 1 1 9 9 ALA N N 9 122.740 122.740 122.205 0.535 25543 6318 1 17 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.170 0.023 25543 6319 1 17 . 1 1 9 9 ALA C C 9 177.504 177.504 179.612 -2.108 25543 6320 1 17 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.853 -0.271 25543 6321 1 17 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.070 0.061 25543 6322 1 17 . 1 1 9 9 ALA H H 9 8.144 8.144 7.873 0.271 25543 6323 1 17 . 1 1 10 10 VAL N N 10 120.344 120.344 119.283 1.061 25543 6324 1 17 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.654 0.141 25543 6325 1 17 . 1 1 10 10 VAL C C 10 175.143 175.143 177.856 -2.713 25543 6326 1 17 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.917 -0.491 25543 6327 1 17 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.934 0.134 25543 6328 1 17 . 1 1 10 10 VAL H H 10 7.854 7.854 7.850 0.004 25543 6329 1 17 . 1 1 11 11 LEU N N 11 121.896 121.896 120.483 1.413 25543 6330 1 17 . 1 1 11 11 LEU HA H 11 4.135 4.135 4.214 -0.079 25543 6331 1 17 . 1 1 11 11 LEU C C 11 177.143 177.143 179.224 -2.081 25543 6332 1 17 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.122 -0.432 25543 6333 1 17 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.362 0.281 25543 6334 1 17 . 1 1 11 11 LEU H H 11 7.936 7.936 8.776 -0.840 25543 6335 1 17 . 1 1 12 12 GLU N N 12 120.197 120.197 117.843 2.354 25543 6336 1 17 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.849 0.291 25543 6337 1 17 . 1 1 12 12 GLU C C 12 175.602 175.602 179.260 -3.658 25543 6338 1 17 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.746 -1.240 25543 6339 1 17 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.031 0.226 25543 6340 1 17 . 1 1 12 12 GLU H H 12 8.310 8.310 7.967 0.343 25543 6341 1 17 . 1 1 13 13 GLN N N 13 120.843 120.843 119.080 1.763 25543 6342 1 17 . 1 1 13 13 GLN HA H 13 3.918 3.918 3.994 -0.076 25543 6343 1 17 . 1 1 13 13 GLN C C 13 174.656 174.656 178.424 -3.768 25543 6344 1 17 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.735 -0.314 25543 6345 1 17 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.405 -0.301 25543 6346 1 17 . 1 1 13 13 GLN H H 13 8.073 8.073 8.327 -0.254 25543 6347 1 17 . 1 1 14 14 GLU N N 14 119.589 119.589 119.986 -0.397 25543 6348 1 17 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.949 0.149 25543 6349 1 17 . 1 1 14 14 GLU C C 14 176.412 176.412 179.102 -2.690 25543 6350 1 17 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.587 -0.311 25543 6351 1 17 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.444 -0.125 25543 6352 1 17 . 1 1 14 14 GLU H H 14 8.340 8.340 8.204 0.136 25543 6353 1 17 . 1 1 15 15 ARG N N 15 120.353 120.353 118.942 1.411 25543 6354 1 17 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.957 0.023 25543 6355 1 17 . 1 1 15 15 ARG C C 15 175.896 175.896 178.939 -3.043 25543 6356 1 17 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.212 0.291 25543 6357 1 17 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.637 0.198 25543 6358 1 17 . 1 1 15 15 ARG H H 15 7.995 7.995 8.641 -0.646 25543 6359 1 17 . 1 1 16 16 ARG N N 16 120.490 120.490 118.977 1.513 25543 6360 1 17 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.222 -0.188 25543 6361 1 17 . 1 1 16 16 ARG C C 16 176.476 176.476 178.641 -2.165 25543 6362 1 17 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.560 -0.192 25543 6363 1 17 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.055 -0.223 25543 6364 1 17 . 1 1 16 16 ARG H H 16 8.169 8.169 8.322 -0.153 25543 6365 1 17 . 1 1 17 17 ASP N N 17 120.965 120.965 119.373 1.592 25543 6366 1 17 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.308 0.131 25543 6367 1 17 . 1 1 17 17 ASP C C 17 176.291 176.291 178.750 -2.459 25543 6368 1 17 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.299 -0.047 25543 6369 1 17 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.686 -0.777 25543 6370 1 17 . 1 1 17 17 ASP H H 17 8.684 8.684 8.326 0.358 25543 6371 1 17 . 1 1 18 18 ARG N N 18 122.128 122.128 118.724 3.404 25543 6372 1 17 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.961 0.170 25543 6373 1 17 . 1 1 18 18 ARG C C 18 175.897 175.897 178.753 -2.856 25543 6374 1 17 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.637 -0.484 25543 6375 1 17 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.287 -0.160 25543 6376 1 17 . 1 1 18 18 ARG H H 18 8.183 8.183 8.365 -0.182 25543 6377 1 17 . 1 1 19 19 GLU N N 19 120.044 120.044 120.229 -0.185 25543 6378 1 17 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.930 0.087 25543 6379 1 17 . 1 1 19 19 GLU C C 19 172.902 172.902 179.191 -6.289 25543 6380 1 17 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.582 -0.393 25543 6381 1 17 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.449 -0.145 25543 6382 1 17 . 1 1 19 19 GLU H H 19 8.207 8.207 8.104 0.103 25543 6383 1 17 . 1 1 20 20 LEU N N 20 121.172 121.172 119.893 1.279 25543 6384 1 17 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.937 0.195 25543 6385 1 17 . 1 1 20 20 LEU C C 20 174.935 174.935 179.002 -4.067 25543 6386 1 17 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.194 -0.319 25543 6387 1 17 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.107 0.563 25543 6388 1 17 . 1 1 20 20 LEU H H 20 8.102 8.102 8.259 -0.157 25543 6389 1 17 . 1 1 21 21 ALA N N 21 120.754 120.754 121.159 -0.405 25543 6390 1 17 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.867 0.220 25543 6391 1 17 . 1 1 21 21 ALA C C 21 177.689 177.689 179.722 -2.033 25543 6392 1 17 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.045 -0.375 25543 6393 1 17 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.262 -0.275 25543 6394 1 17 . 1 1 21 21 ALA H H 21 7.864 7.864 8.012 -0.148 25543 6395 1 17 . 1 1 22 22 LEU N N 22 119.357 119.357 119.465 -0.108 25543 6396 1 17 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.967 0.210 25543 6397 1 17 . 1 1 22 22 LEU C C 22 175.842 175.842 178.774 -2.932 25543 6398 1 17 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.144 -1.087 25543 6399 1 17 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.867 0.096 25543 6400 1 17 . 1 1 22 22 LEU H H 22 7.901 7.901 8.361 -0.460 25543 6401 1 17 . 1 1 23 23 ARG N N 23 120.416 120.416 119.495 0.921 25543 6402 1 17 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.892 0.259 25543 6403 1 17 . 1 1 23 23 ARG C C 23 176.236 176.236 179.046 -2.810 25543 6404 1 17 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.913 -1.379 25543 6405 1 17 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.112 0.045 25543 6406 1 17 . 1 1 23 23 ARG H H 23 7.890 7.890 7.974 -0.084 25543 6407 1 17 . 1 1 24 24 ILE N N 24 121.088 121.088 119.266 1.822 25543 6408 1 17 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.600 0.277 25543 6409 1 17 . 1 1 24 24 ILE C C 24 174.946 174.946 177.687 -2.741 25543 6410 1 17 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.885 -1.271 25543 6411 1 17 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.381 0.834 25543 6412 1 17 . 1 1 24 24 ILE H H 24 8.254 8.254 8.165 0.089 25543 6413 1 17 . 1 1 25 25 ALA N N 25 124.216 124.216 122.262 1.954 25543 6414 1 17 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.870 0.352 25543 6415 1 17 . 1 1 25 25 ALA C C 25 176.883 176.883 180.018 -3.135 25543 6416 1 17 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.242 -1.169 25543 6417 1 17 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.146 0.331 25543 6418 1 17 . 1 1 25 25 ALA H H 25 8.053 8.053 8.140 -0.087 25543 6419 1 17 . 1 1 26 26 GLN N N 26 118.617 118.617 115.967 2.650 25543 6420 1 17 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.139 0.064 25543 6421 1 17 . 1 1 26 26 GLN C C 26 174.564 174.564 178.774 -4.210 25543 6422 1 17 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.002 -0.783 25543 6423 1 17 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.051 0.818 25543 6424 1 17 . 1 1 26 26 GLN H H 26 8.269 8.269 8.455 -0.186 25543 6425 1 17 . 1 1 27 27 SER N N 27 116.340 116.340 116.882 -0.542 25543 6426 1 17 . 1 1 27 27 SER HA H 27 4.350 4.350 4.266 0.084 25543 6427 1 17 . 1 1 27 27 SER C C 27 172.902 172.902 176.375 -3.473 25543 6428 1 17 . 1 1 27 27 SER CA C 27 59.941 59.941 61.073 -1.132 25543 6429 1 17 . 1 1 27 27 SER CB C 27 63.458 63.458 62.915 0.543 25543 6430 1 17 . 1 1 27 27 SER H H 27 8.195 8.195 8.180 0.015 25543 6431 1 17 . 1 1 28 28 GLU N N 28 122.168 122.168 121.413 0.755 25543 6432 1 17 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.033 0.134 25543 6433 1 17 . 1 1 28 28 GLU C C 28 174.568 174.568 178.941 -4.373 25543 6434 1 17 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.943 -1.067 25543 6435 1 17 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.442 0.518 25543 6436 1 17 . 1 1 28 28 GLU H H 28 8.316 8.316 8.431 -0.115 25543 6437 1 17 . 1 1 29 29 ALA N N 29 122.950 122.950 122.181 0.769 25543 6438 1 17 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.135 0.068 25543 6439 1 17 . 1 1 29 29 ALA C C 29 176.938 176.938 179.230 -2.292 25543 6440 1 17 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.391 -1.034 25543 6441 1 17 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.965 -0.112 25543 6442 1 17 . 1 1 29 29 ALA H H 29 8.029 8.029 8.078 -0.049 25543 6443 1 17 . 1 1 30 30 GLU N N 30 119.092 119.092 116.665 2.427 25543 6444 1 17 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.194 -0.040 25543 6445 1 17 . 1 1 30 30 GLU C C 30 174.531 174.531 177.136 -2.605 25543 6446 1 17 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.747 0.342 25543 6447 1 17 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.376 -0.435 25543 6448 1 17 . 1 1 30 30 GLU H H 30 8.104 8.104 7.758 0.346 25543 6449 1 17 . 1 1 31 31 LEU N N 31 122.322 122.322 119.393 2.929 25543 6450 1 17 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.012 0.276 25543 6451 1 17 . 1 1 31 31 LEU C C 31 176.006 176.006 175.994 0.012 25543 6452 1 17 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.842 -0.144 25543 6453 1 17 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.815 1.304 25543 6454 1 17 . 1 1 31 31 LEU H H 31 8.016 8.016 8.322 -0.306 25543 6455 1 17 . 1 1 32 32 ILE N N 32 121.365 121.365 116.298 5.067 25543 6456 1 17 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.058 0.094 25543 6457 1 17 . 1 1 32 32 ILE CA C 32 61.344 61.344 61.370 -0.026 25543 6458 1 17 . 1 1 32 32 ILE CB C 32 38.529 38.529 37.629 0.900 25543 6459 1 17 . 1 1 32 32 ILE H H 32 8.050 8.050 7.584 0.466 25543 6460 1 17 . 1 1 33 33 SER N N 33 120.203 120.203 116.299 3.904 25543 6461 1 17 . 1 1 33 33 SER HA H 33 4.409 4.409 4.314 0.096 25543 6462 1 17 . 1 1 33 33 SER CA C 33 58.468 58.468 57.908 0.560 25543 6463 1 17 . 1 1 33 33 SER CB C 33 64.021 64.021 61.850 2.171 25543 6464 1 17 . 1 1 33 33 SER H H 33 8.391 8.391 8.095 0.296 25543 6465 1 17 . 1 1 34 34 ASP N N 34 123.136 123.136 124.138 -1.002 25543 6466 1 17 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.184 0.310 25543 6467 1 17 . 1 1 34 34 ASP C C 34 175.121 175.121 177.663 -2.542 25543 6468 1 17 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.011 -1.331 25543 6469 1 17 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.023 -0.345 25543 6470 1 17 . 1 1 34 34 ASP H H 34 8.629 8.629 8.814 -0.185 25543 6471 1 17 . 1 1 35 35 GLU N N 35 121.638 121.638 120.085 1.553 25543 6472 1 17 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.910 0.198 25543 6473 1 17 . 1 1 35 35 GLU C C 35 174.886 174.886 178.173 -3.287 25543 6474 1 17 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.507 -0.922 25543 6475 1 17 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.509 0.024 25543 6476 1 17 . 1 1 35 35 GLU H H 35 8.579 8.579 8.568 0.011 25543 6477 1 17 . 1 1 36 36 ALA N N 36 123.946 123.946 122.093 1.853 25543 6478 1 17 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.942 0.287 25543 6479 1 17 . 1 1 36 36 ALA C C 36 177.012 177.012 179.950 -2.938 25543 6480 1 17 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.297 -1.489 25543 6481 1 17 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.160 0.385 25543 6482 1 17 . 1 1 36 36 ALA H H 36 8.235 8.235 7.812 0.423 25543 6483 1 17 . 1 1 37 37 GLN N N 37 118.885 118.885 118.408 0.477 25543 6484 1 17 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.911 0.215 25543 6485 1 17 . 1 1 37 37 GLN C C 37 174.897 174.897 178.656 -3.759 25543 6486 1 17 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.413 -1.012 25543 6487 1 17 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.915 0.866 25543 6488 1 17 . 1 1 37 37 GLN H H 37 8.295 8.295 7.735 0.560 25543 6489 1 17 . 1 1 38 38 ALA N N 38 124.163 124.163 122.094 2.069 25543 6490 1 17 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.970 0.204 25543 6491 1 17 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.146 -1.050 25543 6492 1 17 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.211 0.245 25543 6493 1 17 . 1 1 38 38 ALA H H 38 8.217 8.217 8.597 -0.380 25543 6494 1 17 . 1 1 39 39 ASP N N 39 119.226 119.226 120.281 -1.055 25543 6495 1 17 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.449 0.027 25543 6496 1 17 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.352 -1.508 25543 6497 1 17 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.428 0.551 25543 6498 1 17 . 1 1 39 39 ASP H H 39 8.145 8.145 8.029 0.116 25543 6499 1 17 . 1 1 40 40 LEU N N 40 121.976 121.976 120.139 1.837 25543 6500 1 17 . 1 1 40 40 LEU HA H 40 4.065 4.065 4.001 0.064 25543 6501 1 17 . 1 1 40 40 LEU CA C 40 57.130 57.130 57.811 -0.681 25543 6502 1 17 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.554 0.408 25543 6503 1 17 . 1 1 40 40 LEU H H 40 8.018 8.018 8.590 -0.572 25543 6504 1 17 . 1 1 41 41 ALA N N 41 121.547 121.547 122.444 -0.897 25543 6505 1 17 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.129 -0.029 25543 6506 1 17 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.202 -1.143 25543 6507 1 17 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.495 -0.299 25543 6508 1 17 . 1 1 41 41 ALA H H 41 8.076 8.076 8.203 -0.127 25543 6509 1 17 . 1 1 42 42 LEU N N 42 119.599 119.599 117.338 2.261 25543 6510 1 17 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.131 0.066 25543 6511 1 17 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.670 -1.268 25543 6512 1 17 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.571 0.455 25543 6513 1 17 . 1 1 42 42 LEU H H 42 7.832 7.832 7.950 -0.118 25543 6514 1 17 . 1 1 43 43 ARG N N 43 120.126 120.126 117.750 2.376 25543 6515 1 17 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.151 -0.030 25543 6516 1 17 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.026 -0.348 25543 6517 1 17 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.547 -0.353 25543 6518 1 17 . 1 1 43 43 ARG H H 43 8.047 8.047 8.196 -0.149 25543 6519 1 17 . 1 1 44 44 ARG N N 44 120.206 120.206 118.491 1.715 25543 6520 1 17 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.197 0.042 25543 6521 1 17 . 1 1 44 44 ARG C C 44 173.165 173.165 176.919 -3.754 25543 6522 1 17 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.798 -0.687 25543 6523 1 17 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.530 0.062 25543 6524 1 17 . 1 1 44 44 ARG H H 44 8.206 8.206 7.717 0.489 25543 6525 1 17 . 1 1 45 45 SER N N 45 116.312 116.312 115.381 0.931 25543 6526 1 17 . 1 1 45 45 SER HA H 45 4.369 4.369 4.408 -0.039 25543 6527 1 17 . 1 1 45 45 SER C C 45 170.903 170.903 175.062 -4.159 25543 6528 1 17 . 1 1 45 45 SER CA C 45 59.151 59.151 58.441 0.709 25543 6529 1 17 . 1 1 45 45 SER CB C 45 63.539 63.539 63.816 -0.277 25543 6530 1 17 . 1 1 45 45 SER H H 45 8.171 8.171 7.695 0.476 25543 6531 1 17 . 1 1 46 46 LEU N N 46 123.524 123.524 127.129 -3.605 25543 6532 1 17 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.442 -0.152 25543 6533 1 17 . 1 1 46 46 LEU CA C 46 55.719 55.719 55.319 0.401 25543 6534 1 17 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.045 0.025 25543 6535 1 17 . 1 1 46 46 LEU H H 46 8.168 8.168 8.802 -0.634 25543 6536 1 17 . 1 1 47 47 ASP N N 47 119.853 119.853 118.329 1.524 25543 6537 1 17 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.559 -0.022 25543 6538 1 17 . 1 1 47 47 ASP C C 47 173.143 173.143 176.276 -3.133 25543 6539 1 17 . 1 1 47 47 ASP CA C 47 54.739 54.739 54.798 -0.059 25543 6540 1 17 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.044 0.893 25543 6541 1 17 . 1 1 47 47 ASP H H 47 8.154 8.154 7.879 0.275 25543 6542 1 17 . 1 1 48 48 SER N N 48 114.867 114.867 115.186 -0.319 25543 6543 1 17 . 1 1 48 48 SER HA H 48 4.340 4.340 4.500 -0.160 25543 6544 1 17 . 1 1 48 48 SER C C 48 170.816 170.816 175.061 -4.245 25543 6545 1 17 . 1 1 48 48 SER CA C 48 58.345 58.345 58.975 -0.630 25543 6546 1 17 . 1 1 48 48 SER CB C 48 63.835 63.835 64.571 -0.736 25543 6547 1 17 . 1 1 48 48 SER H H 48 7.960 7.960 7.987 -0.027 25543 6548 1 17 . 1 1 49 49 TYR N N 49 123.355 123.355 122.656 0.699 25543 6549 1 17 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.491 0.244 25543 6550 1 17 . 1 1 49 49 TYR CA C 49 56.141 56.141 57.260 -1.119 25543 6551 1 17 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.554 0.590 25543 6552 1 17 . 1 1 49 49 TYR H H 49 8.102 8.102 7.677 0.425 25543 6553 1 17 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.278 0.149 25543 6554 1 17 . 1 1 50 50 PRO C C 50 173.908 173.908 176.119 -2.211 25543 6555 1 17 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.054 -0.009 25543 6556 1 17 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.214 -0.322 25543 6557 1 17 . 1 1 51 51 VAL N N 51 120.746 120.746 120.629 0.117 25543 6558 1 17 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.169 -0.081 25543 6559 1 17 . 1 1 51 51 VAL C C 51 173.504 173.504 175.851 -2.347 25543 6560 1 17 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.307 -0.005 25543 6561 1 17 . 1 1 51 51 VAL CB C 51 32.866 32.866 31.413 1.453 25543 6562 1 17 . 1 1 51 51 VAL H H 51 8.270 8.270 8.219 0.051 25543 6563 1 17 . 1 1 52 52 SER N N 52 119.837 119.837 123.599 -3.762 25543 6564 1 17 . 1 1 52 52 SER HA H 52 4.429 4.429 4.646 -0.217 25543 6565 1 17 . 1 1 52 52 SER C C 52 171.799 171.799 174.214 -2.415 25543 6566 1 17 . 1 1 52 52 SER CA C 52 58.088 58.088 57.365 0.723 25543 6567 1 17 . 1 1 52 52 SER CB C 52 63.948 63.948 63.832 0.116 25543 6568 1 17 . 1 1 52 52 SER H H 52 8.493 8.493 8.543 -0.050 25543 6569 1 17 . 1 1 53 53 LYS N N 53 123.948 123.948 127.032 -3.084 25543 6570 1 17 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.290 -0.019 25543 6571 1 17 . 1 1 53 53 LYS C C 53 173.547 173.547 176.598 -3.051 25543 6572 1 17 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.084 0.416 25543 6573 1 17 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.163 -0.196 25543 6574 1 17 . 1 1 53 53 LYS H H 53 8.531 8.531 8.429 0.102 25543 6575 1 17 . 1 1 54 54 ASN N N 54 119.853 119.853 117.993 1.860 25543 6576 1 17 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.403 0.296 25543 6577 1 17 . 1 1 54 54 ASN C C 54 172.115 172.115 175.703 -3.588 25543 6578 1 17 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.056 -0.844 25543 6579 1 17 . 1 1 54 54 ASN CB C 54 38.801 38.801 37.741 1.060 25543 6580 1 17 . 1 1 54 54 ASN H H 54 8.532 8.532 8.755 -0.223 25543 6581 1 17 . 1 1 55 55 ASP N N 55 121.271 121.271 117.412 3.859 25543 6582 1 17 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.445 0.129 25543 6583 1 17 . 1 1 55 55 ASP C C 55 174.105 174.105 177.082 -2.977 25543 6584 1 17 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.528 -1.369 25543 6585 1 17 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.858 0.181 25543 6586 1 17 . 1 1 55 55 ASP H H 55 8.297 8.297 7.999 0.298 25543 6587 1 17 . 1 1 56 56 GLY N N 56 109.368 109.368 107.364 2.004 25543 6588 1 17 . 1 1 56 56 GLY C C 56 171.941 171.941 174.475 -2.534 25543 6589 1 17 . 1 1 56 56 GLY CA C 56 45.511 45.511 44.877 0.634 25543 6590 1 17 . 1 1 56 56 GLY H H 56 8.497 8.497 8.393 0.104 25543 6591 1 17 . 1 1 57 57 THR N N 57 113.628 113.628 113.479 0.149 25543 6592 1 17 . 1 1 57 57 THR HA H 57 4.275 4.275 3.924 0.351 25543 6593 1 17 . 1 1 57 57 THR C C 57 171.744 171.744 173.926 -2.182 25543 6594 1 17 . 1 1 57 57 THR CA C 57 62.240 62.240 63.535 -1.295 25543 6595 1 17 . 1 1 57 57 THR CB C 57 69.941 69.941 68.342 1.599 25543 6596 1 17 . 1 1 57 57 THR H H 57 8.156 8.156 7.947 0.209 25543 6597 1 17 . 1 1 58 58 ARG N N 58 124.521 124.521 125.345 -0.824 25543 6598 1 17 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.633 -0.013 25543 6599 1 17 . 1 1 58 58 ARG C C 58 171.187 171.187 175.215 -4.028 25543 6600 1 17 . 1 1 58 58 ARG CA C 58 53.969 53.969 53.743 0.226 25543 6601 1 17 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.862 -0.716 25543 6602 1 17 . 1 1 58 58 ARG H H 58 8.322 8.322 8.358 -0.036 25543 6603 1 17 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.408 -0.026 25543 6604 1 17 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.609 0.294 25543 6605 1 17 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.481 -0.288 25543 6606 1 17 . 1 1 60 60 LYS N N 60 122.142 122.142 119.482 2.660 25543 6607 1 17 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.459 -0.256 25543 6608 1 17 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.174 0.154 25543 6609 1 17 . 1 1 60 60 LYS CB C 60 32.805 32.805 34.135 -1.330 25543 6610 1 17 . 1 1 60 60 LYS H H 60 8.513 8.513 8.250 0.263 25543 6611 1 17 . 1 1 61 61 MET N N 61 122.695 122.695 126.359 -3.664 25543 6612 1 17 . 1 1 61 61 MET HA H 61 4.598 4.598 4.702 -0.104 25543 6613 1 17 . 1 1 61 61 MET C C 61 173.077 173.077 176.672 -3.595 25543 6614 1 17 . 1 1 61 61 MET CA C 61 55.296 55.296 55.046 0.250 25543 6615 1 17 . 1 1 61 61 MET CB C 61 34.491 34.491 32.795 1.696 25543 6616 1 17 . 1 1 61 61 MET H H 61 8.446 8.446 8.584 -0.138 25543 6617 1 17 . 1 1 62 62 THR N N 62 115.170 115.170 118.635 -3.465 25543 6618 1 17 . 1 1 62 62 THR HA H 62 4.620 4.620 4.632 -0.012 25543 6619 1 17 . 1 1 62 62 THR C C 62 170.881 170.881 173.839 -2.958 25543 6620 1 17 . 1 1 62 62 THR CA C 62 59.858 59.858 60.363 -0.505 25543 6621 1 17 . 1 1 62 62 THR CB C 62 68.752 68.752 69.755 -1.003 25543 6622 1 17 . 1 1 62 62 THR H H 62 8.437 8.437 8.844 -0.407 25543 6623 1 17 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.110 0.164 25543 6624 1 17 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.800 -0.426 25543 6625 1 17 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.695 0.068 25543 6626 1 17 . 1 1 64 64 GLU N N 64 118.596 118.596 117.477 1.119 25543 6627 1 17 . 1 1 64 64 GLU HA H 64 4.063 4.063 3.996 0.067 25543 6628 1 17 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.479 0.134 25543 6629 1 17 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.204 -0.187 25543 6630 1 17 . 1 1 64 64 GLU H H 64 8.813 8.813 8.098 0.715 25543 6631 1 17 . 1 1 65 65 GLN N N 65 121.250 121.250 118.678 2.572 25543 6632 1 17 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.948 0.098 25543 6633 1 17 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.947 -0.831 25543 6634 1 17 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.688 0.023 25543 6635 1 17 . 1 1 65 65 GLN H H 65 7.964 7.964 7.514 0.450 25543 6636 1 17 . 1 1 66 66 MET N N 66 120.082 120.082 117.549 2.533 25543 6637 1 17 . 1 1 66 66 MET HA H 66 4.156 4.156 4.142 0.014 25543 6638 1 17 . 1 1 66 66 MET CA C 66 58.241 58.241 58.958 -0.717 25543 6639 1 17 . 1 1 66 66 MET CB C 66 32.558 32.558 31.946 0.612 25543 6640 1 17 . 1 1 66 66 MET H H 66 8.429 8.429 7.810 0.619 25543 6641 1 17 . 1 1 67 67 ALA N N 67 122.222 122.222 123.250 -1.028 25543 6642 1 17 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.845 0.312 25543 6643 1 17 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.412 -1.141 25543 6644 1 17 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.009 0.270 25543 6645 1 17 . 1 1 67 67 ALA H H 67 8.106 8.106 8.381 -0.275 25543 6646 1 17 . 1 1 68 68 LYS N N 68 120.031 120.031 118.729 1.302 25543 6647 1 17 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.988 0.139 25543 6648 1 17 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.323 -0.950 25543 6649 1 17 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.305 0.299 25543 6650 1 17 . 1 1 68 68 LYS H H 68 7.815 7.815 8.060 -0.245 25543 6651 1 17 . 1 1 69 69 GLU N N 69 119.896 119.896 119.256 0.640 25543 6652 1 17 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.009 0.114 25543 6653 1 17 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.423 -0.874 25543 6654 1 17 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.352 0.058 25543 6655 1 17 . 1 1 69 69 GLU H H 69 8.149 8.149 8.312 -0.163 25543 6656 1 17 . 1 1 70 70 MET N N 70 119.261 119.261 118.907 0.354 25543 6657 1 17 . 1 1 70 70 MET HA H 70 4.434 4.434 4.173 0.261 25543 6658 1 17 . 1 1 70 70 MET C C 70 174.607 174.607 178.844 -4.237 25543 6659 1 17 . 1 1 70 70 MET CA C 70 56.884 56.884 57.888 -1.004 25543 6660 1 17 . 1 1 70 70 MET CB C 70 32.159 32.159 31.863 0.296 25543 6661 1 17 . 1 1 70 70 MET H H 70 8.215 8.215 8.921 -0.706 25543 6662 1 17 . 1 1 71 71 SER N N 71 115.618 115.618 114.198 1.420 25543 6663 1 17 . 1 1 71 71 SER HA H 71 4.265 4.265 4.177 0.088 25543 6664 1 17 . 1 1 71 71 SER CA C 71 60.463 60.463 61.307 -0.844 25543 6665 1 17 . 1 1 71 71 SER CB C 71 63.135 63.135 62.640 0.495 25543 6666 1 17 . 1 1 71 71 SER H H 71 8.161 8.161 8.122 0.039 25543 6667 1 17 . 1 1 72 72 GLU N N 72 122.328 122.328 120.559 1.769 25543 6668 1 17 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.155 -0.042 25543 6669 1 17 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.760 -0.644 25543 6670 1 17 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.994 -0.567 25543 6671 1 17 . 1 1 72 72 GLU H H 72 8.247 8.247 7.857 0.390 25543 6672 1 17 . 1 1 73 73 PHE N N 73 120.564 120.564 119.892 0.672 25543 6673 1 17 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.269 0.131 25543 6674 1 17 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.425 -1.927 25543 6675 1 17 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.787 -0.605 25543 6676 1 17 . 1 1 73 73 PHE H H 73 8.126 8.126 8.247 -0.121 25543 6677 1 17 . 1 1 74 74 LEU N N 74 120.761 120.761 116.576 4.185 25543 6678 1 17 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.288 -0.136 25543 6679 1 17 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.356 -0.466 25543 6680 1 17 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.122 -0.016 25543 6681 1 17 . 1 1 74 74 LEU H H 74 8.127 8.127 8.027 0.100 25543 6682 1 17 . 1 1 75 75 SER N N 75 115.178 115.178 113.944 1.234 25543 6683 1 17 . 1 1 75 75 SER HA H 75 4.357 4.357 4.610 -0.253 25543 6684 1 17 . 1 1 75 75 SER CA C 75 58.921 58.921 56.784 2.137 25543 6685 1 17 . 1 1 75 75 SER CB C 75 63.534 63.534 63.298 0.236 25543 6686 1 17 . 1 1 75 75 SER H H 75 8.003 8.003 7.237 0.766 25543 6687 1 17 . 1 1 76 76 ARG N N 76 122.367 122.367 128.459 -6.092 25543 6688 1 17 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.338 -0.024 25543 6689 1 17 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.605 -0.199 25543 6690 1 17 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.483 0.349 25543 6691 1 17 . 1 1 76 76 ARG H H 76 7.985 7.985 8.372 -0.387 25543 6692 1 17 . 1 1 77 77 GLY N N 77 109.723 109.723 106.212 3.511 25543 6693 1 17 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.440 -0.039 25543 6694 1 17 . 1 1 77 77 GLY H H 77 8.151 8.151 8.039 0.112 25543 6695 1 17 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.463 -0.098 25543 6696 1 17 . 1 1 78 78 PRO C C 78 173.976 173.976 175.546 -1.570 25543 6697 1 17 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.087 0.139 25543 6698 1 17 . 1 1 78 78 PRO CB C 78 32.028 32.028 30.480 1.548 25543 6699 1 18 . 1 1 7 7 GLN N N 7 120.283 120.283 120.727 -0.444 25543 6700 1 18 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.943 0.192 25543 6701 1 18 . 1 1 7 7 GLN C C 7 174.902 174.902 177.716 -2.814 25543 6702 1 18 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.834 -1.516 25543 6703 1 18 . 1 1 7 7 GLN CB C 7 28.700 28.700 28.152 0.548 25543 6704 1 18 . 1 1 7 7 GLN H H 7 8.340 8.340 8.611 -0.271 25543 6705 1 18 . 1 1 8 8 GLN N N 8 120.710 120.710 117.875 2.835 25543 6706 1 18 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.015 0.032 25543 6707 1 18 . 1 1 8 8 GLN C C 8 174.564 174.564 178.069 -3.505 25543 6708 1 18 . 1 1 8 8 GLN CA C 8 58.101 58.101 59.028 -0.927 25543 6709 1 18 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.837 0.657 25543 6710 1 18 . 1 1 8 8 GLN H H 8 8.434 8.434 8.679 -0.245 25543 6711 1 18 . 1 1 9 9 ALA N N 9 122.740 122.740 121.953 0.787 25543 6712 1 18 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.129 0.064 25543 6713 1 18 . 1 1 9 9 ALA C C 9 177.504 177.504 179.422 -1.918 25543 6714 1 18 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.851 -0.269 25543 6715 1 18 . 1 1 9 9 ALA CB C 9 18.131 18.131 17.820 0.311 25543 6716 1 18 . 1 1 9 9 ALA H H 9 8.144 8.144 7.218 0.926 25543 6717 1 18 . 1 1 10 10 VAL N N 10 120.344 120.344 119.484 0.860 25543 6718 1 18 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.700 0.095 25543 6719 1 18 . 1 1 10 10 VAL C C 10 175.143 175.143 177.934 -2.791 25543 6720 1 18 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.469 -0.043 25543 6721 1 18 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.290 0.778 25543 6722 1 18 . 1 1 10 10 VAL H H 10 7.854 7.854 7.934 -0.080 25543 6723 1 18 . 1 1 11 11 LEU N N 11 121.896 121.896 120.687 1.209 25543 6724 1 18 . 1 1 11 11 LEU HA H 11 4.135 4.135 4.160 -0.025 25543 6725 1 18 . 1 1 11 11 LEU C C 11 177.143 177.143 179.494 -2.351 25543 6726 1 18 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.199 -0.509 25543 6727 1 18 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.391 0.253 25543 6728 1 18 . 1 1 11 11 LEU H H 11 7.936 7.936 8.815 -0.879 25543 6729 1 18 . 1 1 12 12 GLU N N 12 120.197 120.197 117.362 2.835 25543 6730 1 18 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.906 0.234 25543 6731 1 18 . 1 1 12 12 GLU C C 12 175.602 175.602 179.182 -3.580 25543 6732 1 18 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.542 -1.036 25543 6733 1 18 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.129 0.128 25543 6734 1 18 . 1 1 12 12 GLU H H 12 8.310 8.310 7.983 0.327 25543 6735 1 18 . 1 1 13 13 GLN N N 13 120.843 120.843 119.512 1.331 25543 6736 1 18 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.028 -0.110 25543 6737 1 18 . 1 1 13 13 GLN C C 13 174.656 174.656 178.504 -3.848 25543 6738 1 18 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.672 -0.251 25543 6739 1 18 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.440 -0.336 25543 6740 1 18 . 1 1 13 13 GLN H H 13 8.073 8.073 8.482 -0.409 25543 6741 1 18 . 1 1 14 14 GLU N N 14 119.589 119.589 120.118 -0.529 25543 6742 1 18 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.961 0.137 25543 6743 1 18 . 1 1 14 14 GLU C C 14 176.412 176.412 179.150 -2.738 25543 6744 1 18 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.563 -0.287 25543 6745 1 18 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.466 -0.147 25543 6746 1 18 . 1 1 14 14 GLU H H 14 8.340 8.340 8.460 -0.120 25543 6747 1 18 . 1 1 15 15 ARG N N 15 120.353 120.353 119.430 0.923 25543 6748 1 18 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.960 0.020 25543 6749 1 18 . 1 1 15 15 ARG C C 15 175.896 175.896 178.539 -2.643 25543 6750 1 18 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.715 -0.212 25543 6751 1 18 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.138 -0.304 25543 6752 1 18 . 1 1 15 15 ARG H H 15 7.995 7.995 8.247 -0.252 25543 6753 1 18 . 1 1 16 16 ARG N N 16 120.490 120.490 119.289 1.201 25543 6754 1 18 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.952 0.082 25543 6755 1 18 . 1 1 16 16 ARG C C 16 176.476 176.476 178.011 -1.535 25543 6756 1 18 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.674 -0.306 25543 6757 1 18 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.013 -0.181 25543 6758 1 18 . 1 1 16 16 ARG H H 16 8.169 8.169 8.225 -0.056 25543 6759 1 18 . 1 1 17 17 ASP N N 17 120.965 120.965 118.955 2.010 25543 6760 1 18 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.274 0.165 25543 6761 1 18 . 1 1 17 17 ASP C C 17 176.291 176.291 178.849 -2.558 25543 6762 1 18 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.653 -0.401 25543 6763 1 18 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.703 -0.794 25543 6764 1 18 . 1 1 17 17 ASP H H 17 8.684 8.684 8.335 0.349 25543 6765 1 18 . 1 1 18 18 ARG N N 18 122.128 122.128 118.586 3.542 25543 6766 1 18 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.019 0.112 25543 6767 1 18 . 1 1 18 18 ARG C C 18 175.897 175.897 178.789 -2.892 25543 6768 1 18 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.983 0.170 25543 6769 1 18 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.881 0.246 25543 6770 1 18 . 1 1 18 18 ARG H H 18 8.183 8.183 8.107 0.076 25543 6771 1 18 . 1 1 19 19 GLU N N 19 120.044 120.044 120.288 -0.244 25543 6772 1 18 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.950 0.067 25543 6773 1 18 . 1 1 19 19 GLU C C 19 172.902 172.902 179.174 -6.272 25543 6774 1 18 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.576 -0.387 25543 6775 1 18 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.479 -0.175 25543 6776 1 18 . 1 1 19 19 GLU H H 19 8.207 8.207 8.189 0.018 25543 6777 1 18 . 1 1 20 20 LEU N N 20 121.172 121.172 119.985 1.187 25543 6778 1 18 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.960 0.172 25543 6779 1 18 . 1 1 20 20 LEU C C 20 174.935 174.935 179.034 -4.099 25543 6780 1 18 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.126 -0.250 25543 6781 1 18 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.126 0.544 25543 6782 1 18 . 1 1 20 20 LEU H H 20 8.102 8.102 8.187 -0.085 25543 6783 1 18 . 1 1 21 21 ALA N N 21 120.754 120.754 121.224 -0.470 25543 6784 1 18 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.849 0.238 25543 6785 1 18 . 1 1 21 21 ALA C C 21 177.689 177.689 179.876 -2.187 25543 6786 1 18 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.067 -0.397 25543 6787 1 18 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.374 -0.387 25543 6788 1 18 . 1 1 21 21 ALA H H 21 7.864 7.864 8.060 -0.196 25543 6789 1 18 . 1 1 22 22 LEU N N 22 119.357 119.357 119.317 0.040 25543 6790 1 18 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.994 0.183 25543 6791 1 18 . 1 1 22 22 LEU C C 22 175.842 175.842 178.781 -2.939 25543 6792 1 18 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.125 -1.068 25543 6793 1 18 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.927 0.036 25543 6794 1 18 . 1 1 22 22 LEU H H 22 7.901 7.901 8.344 -0.443 25543 6795 1 18 . 1 1 23 23 ARG N N 23 120.416 120.416 119.144 1.272 25543 6796 1 18 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.922 0.229 25543 6797 1 18 . 1 1 23 23 ARG C C 23 176.236 176.236 179.089 -2.853 25543 6798 1 18 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.870 -1.336 25543 6799 1 18 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.154 0.003 25543 6800 1 18 . 1 1 23 23 ARG H H 23 7.890 7.890 7.891 -0.001 25543 6801 1 18 . 1 1 24 24 ILE N N 24 121.088 121.088 119.357 1.731 25543 6802 1 18 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.587 0.290 25543 6803 1 18 . 1 1 24 24 ILE C C 24 174.946 174.946 177.671 -2.725 25543 6804 1 18 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.861 -1.247 25543 6805 1 18 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.345 0.870 25543 6806 1 18 . 1 1 24 24 ILE H H 24 8.254 8.254 8.306 -0.052 25543 6807 1 18 . 1 1 25 25 ALA N N 25 124.216 124.216 122.292 1.924 25543 6808 1 18 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.842 0.380 25543 6809 1 18 . 1 1 25 25 ALA C C 25 176.883 176.883 179.882 -2.999 25543 6810 1 18 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.180 -1.107 25543 6811 1 18 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.036 0.441 25543 6812 1 18 . 1 1 25 25 ALA H H 25 8.053 8.053 7.949 0.104 25543 6813 1 18 . 1 1 26 26 GLN N N 26 118.617 118.617 116.233 2.384 25543 6814 1 18 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.053 0.150 25543 6815 1 18 . 1 1 26 26 GLN C C 26 174.564 174.564 178.758 -4.194 25543 6816 1 18 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.352 -1.133 25543 6817 1 18 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.498 0.371 25543 6818 1 18 . 1 1 26 26 GLN H H 26 8.269 8.269 8.297 -0.028 25543 6819 1 18 . 1 1 27 27 SER N N 27 116.340 116.340 116.573 -0.233 25543 6820 1 18 . 1 1 27 27 SER HA H 27 4.350 4.350 4.258 0.092 25543 6821 1 18 . 1 1 27 27 SER C C 27 172.902 172.902 176.345 -3.443 25543 6822 1 18 . 1 1 27 27 SER CA C 27 59.941 59.941 61.243 -1.302 25543 6823 1 18 . 1 1 27 27 SER CB C 27 63.458 63.458 62.871 0.587 25543 6824 1 18 . 1 1 27 27 SER H H 27 8.195 8.195 8.214 -0.019 25543 6825 1 18 . 1 1 28 28 GLU N N 28 122.168 122.168 121.193 0.975 25543 6826 1 18 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.045 0.122 25543 6827 1 18 . 1 1 28 28 GLU C C 28 174.568 174.568 178.621 -4.053 25543 6828 1 18 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.950 -1.075 25543 6829 1 18 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.582 0.378 25543 6830 1 18 . 1 1 28 28 GLU H H 28 8.316 8.316 8.538 -0.222 25543 6831 1 18 . 1 1 29 29 ALA N N 29 122.950 122.950 122.150 0.800 25543 6832 1 18 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.166 0.037 25543 6833 1 18 . 1 1 29 29 ALA C C 29 176.938 176.938 179.213 -2.275 25543 6834 1 18 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.422 -1.065 25543 6835 1 18 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.061 -0.207 25543 6836 1 18 . 1 1 29 29 ALA H H 29 8.029 8.029 8.064 -0.035 25543 6837 1 18 . 1 1 30 30 GLU N N 30 119.092 119.092 116.294 2.798 25543 6838 1 18 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.260 -0.106 25543 6839 1 18 . 1 1 30 30 GLU C C 30 174.531 174.531 177.452 -2.921 25543 6840 1 18 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.487 0.602 25543 6841 1 18 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.459 -0.518 25543 6842 1 18 . 1 1 30 30 GLU H H 30 8.104 8.104 7.773 0.331 25543 6843 1 18 . 1 1 31 31 LEU N N 31 122.322 122.322 118.613 3.709 25543 6844 1 18 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.013 0.275 25543 6845 1 18 . 1 1 31 31 LEU C C 31 176.006 176.006 177.127 -1.121 25543 6846 1 18 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.035 -0.337 25543 6847 1 18 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.161 1.957 25543 6848 1 18 . 1 1 31 31 LEU H H 31 8.016 8.016 8.375 -0.359 25543 6849 1 18 . 1 1 32 32 ILE N N 32 121.365 121.365 117.457 3.908 25543 6850 1 18 . 1 1 32 32 ILE HA H 32 4.152 4.152 3.985 0.167 25543 6851 1 18 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.724 -1.380 25543 6852 1 18 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.446 0.083 25543 6853 1 18 . 1 1 32 32 ILE H H 32 8.050 8.050 7.724 0.326 25543 6854 1 18 . 1 1 33 33 SER N N 33 120.203 120.203 116.242 3.961 25543 6855 1 18 . 1 1 33 33 SER HA H 33 4.409 4.409 4.334 0.075 25543 6856 1 18 . 1 1 33 33 SER CA C 33 58.468 58.468 56.877 1.591 25543 6857 1 18 . 1 1 33 33 SER CB C 33 64.021 64.021 61.589 2.432 25543 6858 1 18 . 1 1 33 33 SER H H 33 8.391 8.391 8.217 0.174 25543 6859 1 18 . 1 1 34 34 ASP N N 34 123.136 123.136 122.776 0.360 25543 6860 1 18 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.482 0.012 25543 6861 1 18 . 1 1 34 34 ASP C C 34 175.121 175.121 177.342 -2.221 25543 6862 1 18 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.911 -1.231 25543 6863 1 18 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.014 -0.336 25543 6864 1 18 . 1 1 34 34 ASP H H 34 8.629 8.629 8.168 0.461 25543 6865 1 18 . 1 1 35 35 GLU N N 35 121.638 121.638 119.356 2.282 25543 6866 1 18 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.079 0.029 25543 6867 1 18 . 1 1 35 35 GLU C C 35 174.886 174.886 178.374 -3.488 25543 6868 1 18 . 1 1 35 35 GLU CA C 35 58.585 58.585 58.731 -0.146 25543 6869 1 18 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.594 0.939 25543 6870 1 18 . 1 1 35 35 GLU H H 35 8.579 8.579 8.283 0.296 25543 6871 1 18 . 1 1 36 36 ALA N N 36 123.946 123.946 122.164 1.782 25543 6872 1 18 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.035 0.194 25543 6873 1 18 . 1 1 36 36 ALA C C 36 177.012 177.012 179.891 -2.879 25543 6874 1 18 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.100 -1.292 25543 6875 1 18 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.154 0.391 25543 6876 1 18 . 1 1 36 36 ALA H H 36 8.235 8.235 8.653 -0.418 25543 6877 1 18 . 1 1 37 37 GLN N N 37 118.885 118.885 119.091 -0.206 25543 6878 1 18 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.985 0.141 25543 6879 1 18 . 1 1 37 37 GLN C C 37 174.897 174.897 178.500 -3.603 25543 6880 1 18 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.728 -1.327 25543 6881 1 18 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.043 0.738 25543 6882 1 18 . 1 1 37 37 GLN H H 37 8.295 8.295 8.037 0.258 25543 6883 1 18 . 1 1 38 38 ALA N N 38 124.163 124.163 122.029 2.134 25543 6884 1 18 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.929 0.245 25543 6885 1 18 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.041 -0.945 25543 6886 1 18 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.150 0.306 25543 6887 1 18 . 1 1 38 38 ALA H H 38 8.217 8.217 8.196 0.021 25543 6888 1 18 . 1 1 39 39 ASP N N 39 119.226 119.226 119.436 -0.210 25543 6889 1 18 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.342 0.134 25543 6890 1 18 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.263 -1.419 25543 6891 1 18 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.892 0.087 25543 6892 1 18 . 1 1 39 39 ASP H H 39 8.145 8.145 7.800 0.345 25543 6893 1 18 . 1 1 40 40 LEU N N 40 121.976 121.976 120.540 1.436 25543 6894 1 18 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.798 0.267 25543 6895 1 18 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.141 -1.011 25543 6896 1 18 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.675 0.287 25543 6897 1 18 . 1 1 40 40 LEU H H 40 8.018 8.018 8.252 -0.234 25543 6898 1 18 . 1 1 41 41 ALA N N 41 121.547 121.547 121.902 -0.355 25543 6899 1 18 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.928 0.172 25543 6900 1 18 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.209 -1.149 25543 6901 1 18 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.308 -0.112 25543 6902 1 18 . 1 1 41 41 ALA H H 41 8.076 8.076 8.126 -0.050 25543 6903 1 18 . 1 1 42 42 LEU N N 42 119.599 119.599 118.889 0.710 25543 6904 1 18 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.876 0.321 25543 6905 1 18 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.923 -1.521 25543 6906 1 18 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.656 0.370 25543 6907 1 18 . 1 1 42 42 LEU H H 42 7.832 7.832 7.977 -0.145 25543 6908 1 18 . 1 1 43 43 ARG N N 43 120.126 120.126 117.714 2.412 25543 6909 1 18 . 1 1 43 43 ARG HA H 43 4.121 4.121 3.929 0.192 25543 6910 1 18 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.703 -1.025 25543 6911 1 18 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.357 -0.163 25543 6912 1 18 . 1 1 43 43 ARG H H 43 8.047 8.047 8.208 -0.161 25543 6913 1 18 . 1 1 44 44 ARG N N 44 120.206 120.206 117.717 2.489 25543 6914 1 18 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.122 0.117 25543 6915 1 18 . 1 1 44 44 ARG C C 44 173.165 173.165 177.935 -4.770 25543 6916 1 18 . 1 1 44 44 ARG CA C 44 57.111 57.111 58.678 -1.567 25543 6917 1 18 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.737 -0.145 25543 6918 1 18 . 1 1 44 44 ARG H H 44 8.206 8.206 8.314 -0.108 25543 6919 1 18 . 1 1 45 45 SER N N 45 116.312 116.312 116.765 -0.453 25543 6920 1 18 . 1 1 45 45 SER HA H 45 4.369 4.369 4.553 -0.184 25543 6921 1 18 . 1 1 45 45 SER C C 45 170.903 170.903 173.585 -2.682 25543 6922 1 18 . 1 1 45 45 SER CA C 45 59.151 59.151 58.271 0.880 25543 6923 1 18 . 1 1 45 45 SER CB C 45 63.539 63.539 62.049 1.490 25543 6924 1 18 . 1 1 45 45 SER H H 45 8.171 8.171 8.094 0.077 25543 6925 1 18 . 1 1 46 46 LEU N N 46 123.524 123.524 126.539 -3.015 25543 6926 1 18 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.254 0.036 25543 6927 1 18 . 1 1 46 46 LEU CA C 46 55.719 55.719 57.009 -1.290 25543 6928 1 18 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.552 -0.481 25543 6929 1 18 . 1 1 46 46 LEU H H 46 8.168 8.168 7.620 0.548 25543 6930 1 18 . 1 1 47 47 ASP N N 47 119.853 119.853 117.286 2.567 25543 6931 1 18 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.470 0.067 25543 6932 1 18 . 1 1 47 47 ASP C C 47 173.143 173.143 177.098 -3.955 25543 6933 1 18 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.438 -0.699 25543 6934 1 18 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.523 0.414 25543 6935 1 18 . 1 1 47 47 ASP H H 47 8.154 8.154 8.740 -0.586 25543 6936 1 18 . 1 1 48 48 SER N N 48 114.867 114.867 115.804 -0.937 25543 6937 1 18 . 1 1 48 48 SER HA H 48 4.340 4.340 4.387 -0.047 25543 6938 1 18 . 1 1 48 48 SER C C 48 170.816 170.816 175.400 -4.584 25543 6939 1 18 . 1 1 48 48 SER CA C 48 58.345 58.345 59.959 -1.614 25543 6940 1 18 . 1 1 48 48 SER CB C 48 63.835 63.835 63.897 -0.062 25543 6941 1 18 . 1 1 48 48 SER H H 48 7.960 7.960 7.504 0.456 25543 6942 1 18 . 1 1 49 49 TYR N N 49 123.355 123.355 123.305 0.050 25543 6943 1 18 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.540 0.195 25543 6944 1 18 . 1 1 49 49 TYR CA C 49 56.141 56.141 56.558 -0.417 25543 6945 1 18 . 1 1 49 49 TYR CB C 49 38.144 38.144 38.101 0.043 25543 6946 1 18 . 1 1 49 49 TYR H H 49 8.102 8.102 8.353 -0.251 25543 6947 1 18 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.400 0.027 25543 6948 1 18 . 1 1 50 50 PRO C C 50 173.908 173.908 175.934 -2.026 25543 6949 1 18 . 1 1 50 50 PRO CA C 50 63.045 63.045 63.095 -0.050 25543 6950 1 18 . 1 1 50 50 PRO CB C 50 31.892 31.892 31.842 0.050 25543 6951 1 18 . 1 1 51 51 VAL N N 51 120.746 120.746 125.143 -4.397 25543 6952 1 18 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.118 -0.030 25543 6953 1 18 . 1 1 51 51 VAL C C 51 173.504 173.504 176.432 -2.928 25543 6954 1 18 . 1 1 51 51 VAL CA C 51 62.302 62.302 62.530 -0.228 25543 6955 1 18 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.326 0.540 25543 6956 1 18 . 1 1 51 51 VAL H H 51 8.270 8.270 8.302 -0.032 25543 6957 1 18 . 1 1 52 52 SER N N 52 119.837 119.837 119.995 -0.158 25543 6958 1 18 . 1 1 52 52 SER HA H 52 4.429 4.429 4.512 -0.083 25543 6959 1 18 . 1 1 52 52 SER C C 52 171.799 171.799 173.744 -1.945 25543 6960 1 18 . 1 1 52 52 SER CA C 52 58.088 58.088 58.778 -0.690 25543 6961 1 18 . 1 1 52 52 SER CB C 52 63.948 63.948 63.370 0.578 25543 6962 1 18 . 1 1 52 52 SER H H 52 8.493 8.493 8.426 0.067 25543 6963 1 18 . 1 1 53 53 LYS N N 53 123.948 123.948 125.043 -1.095 25543 6964 1 18 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.559 -0.288 25543 6965 1 18 . 1 1 53 53 LYS C C 53 173.547 173.547 175.409 -1.862 25543 6966 1 18 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.062 0.438 25543 6967 1 18 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.727 -0.761 25543 6968 1 18 . 1 1 53 53 LYS H H 53 8.531 8.531 8.443 0.088 25543 6969 1 18 . 1 1 54 54 ASN N N 54 119.853 119.853 121.885 -2.032 25543 6970 1 18 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.719 -0.020 25543 6971 1 18 . 1 1 54 54 ASN C C 54 172.115 172.115 174.750 -2.635 25543 6972 1 18 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.119 0.093 25543 6973 1 18 . 1 1 54 54 ASN CB C 54 38.801 38.801 39.074 -0.273 25543 6974 1 18 . 1 1 54 54 ASN H H 54 8.532 8.532 8.587 -0.055 25543 6975 1 18 . 1 1 55 55 ASP N N 55 121.271 121.271 120.282 0.989 25543 6976 1 18 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.705 -0.131 25543 6977 1 18 . 1 1 55 55 ASP C C 55 174.105 174.105 176.891 -2.786 25543 6978 1 18 . 1 1 55 55 ASP CA C 55 54.159 54.159 55.379 -1.220 25543 6979 1 18 . 1 1 55 55 ASP CB C 55 41.040 41.040 41.440 -0.400 25543 6980 1 18 . 1 1 55 55 ASP H H 55 8.297 8.297 8.623 -0.326 25543 6981 1 18 . 1 1 56 56 GLY N N 56 109.368 109.368 110.431 -1.063 25543 6982 1 18 . 1 1 56 56 GLY C C 56 171.941 171.941 174.377 -2.436 25543 6983 1 18 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.138 0.373 25543 6984 1 18 . 1 1 56 56 GLY H H 56 8.497 8.497 8.361 0.136 25543 6985 1 18 . 1 1 57 57 THR N N 57 113.628 113.628 115.461 -1.833 25543 6986 1 18 . 1 1 57 57 THR HA H 57 4.275 4.275 4.405 -0.130 25543 6987 1 18 . 1 1 57 57 THR C C 57 171.744 171.744 174.278 -2.534 25543 6988 1 18 . 1 1 57 57 THR CA C 57 62.240 62.240 61.358 0.882 25543 6989 1 18 . 1 1 57 57 THR CB C 57 69.941 69.941 68.031 1.911 25543 6990 1 18 . 1 1 57 57 THR H H 57 8.156 8.156 8.139 0.017 25543 6991 1 18 . 1 1 58 58 ARG N N 58 124.521 124.521 125.943 -1.422 25543 6992 1 18 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.740 -0.120 25543 6993 1 18 . 1 1 58 58 ARG C C 58 171.187 171.187 175.314 -4.127 25543 6994 1 18 . 1 1 58 58 ARG CA C 58 53.969 53.969 53.931 0.038 25543 6995 1 18 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.052 0.094 25543 6996 1 18 . 1 1 58 58 ARG H H 58 8.322 8.322 7.868 0.454 25543 6997 1 18 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.525 -0.143 25543 6998 1 18 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.725 0.178 25543 6999 1 18 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.557 -0.364 25543 7000 1 18 . 1 1 60 60 LYS N N 60 122.142 122.142 118.465 3.677 25543 7001 1 18 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.379 -0.176 25543 7002 1 18 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.234 0.094 25543 7003 1 18 . 1 1 60 60 LYS CB C 60 32.805 32.805 32.856 -0.051 25543 7004 1 18 . 1 1 60 60 LYS H H 60 8.513 8.513 8.238 0.275 25543 7005 1 18 . 1 1 61 61 MET N N 61 122.695 122.695 120.051 2.644 25543 7006 1 18 . 1 1 61 61 MET HA H 61 4.598 4.598 4.635 -0.037 25543 7007 1 18 . 1 1 61 61 MET C C 61 173.077 173.077 176.139 -3.062 25543 7008 1 18 . 1 1 61 61 MET CA C 61 55.296 55.296 54.387 0.909 25543 7009 1 18 . 1 1 61 61 MET CB C 61 34.491 34.491 33.435 1.056 25543 7010 1 18 . 1 1 61 61 MET H H 61 8.446 8.446 7.879 0.567 25543 7011 1 18 . 1 1 62 62 THR N N 62 115.170 115.170 115.228 -0.058 25543 7012 1 18 . 1 1 62 62 THR HA H 62 4.620 4.620 4.647 -0.027 25543 7013 1 18 . 1 1 62 62 THR C C 62 170.881 170.881 174.342 -3.461 25543 7014 1 18 . 1 1 62 62 THR CA C 62 59.858 59.858 58.956 0.902 25543 7015 1 18 . 1 1 62 62 THR CB C 62 68.752 68.752 69.006 -0.254 25543 7016 1 18 . 1 1 62 62 THR H H 62 8.437 8.437 8.231 0.206 25543 7017 1 18 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.036 0.238 25543 7018 1 18 . 1 1 63 63 PRO CA C 63 65.374 65.374 66.022 -0.648 25543 7019 1 18 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.835 -0.072 25543 7020 1 18 . 1 1 64 64 GLU N N 64 118.596 118.596 116.027 2.569 25543 7021 1 18 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.017 0.046 25543 7022 1 18 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.856 -0.243 25543 7023 1 18 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.248 -0.231 25543 7024 1 18 . 1 1 64 64 GLU H H 64 8.813 8.813 8.723 0.090 25543 7025 1 18 . 1 1 65 65 GLN N N 65 121.250 121.250 118.765 2.485 25543 7026 1 18 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.038 0.008 25543 7027 1 18 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.737 -0.621 25543 7028 1 18 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.330 0.381 25543 7029 1 18 . 1 1 65 65 GLN H H 65 7.964 7.964 7.582 0.382 25543 7030 1 18 . 1 1 66 66 MET N N 66 120.082 120.082 118.655 1.427 25543 7031 1 18 . 1 1 66 66 MET HA H 66 4.156 4.156 4.267 -0.111 25543 7032 1 18 . 1 1 66 66 MET CA C 66 58.241 58.241 58.322 -0.081 25543 7033 1 18 . 1 1 66 66 MET CB C 66 32.558 32.558 31.765 0.793 25543 7034 1 18 . 1 1 66 66 MET H H 66 8.429 8.429 8.135 0.294 25543 7035 1 18 . 1 1 67 67 ALA N N 67 122.222 122.222 123.166 -0.944 25543 7036 1 18 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.971 0.186 25543 7037 1 18 . 1 1 67 67 ALA CA C 67 54.271 54.271 54.965 -0.694 25543 7038 1 18 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.968 0.311 25543 7039 1 18 . 1 1 67 67 ALA H H 67 8.106 8.106 8.109 -0.003 25543 7040 1 18 . 1 1 68 68 LYS N N 68 120.031 120.031 120.189 -0.158 25543 7041 1 18 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.969 0.158 25543 7042 1 18 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.453 -1.080 25543 7043 1 18 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.206 0.398 25543 7044 1 18 . 1 1 68 68 LYS H H 68 7.815 7.815 8.232 -0.417 25543 7045 1 18 . 1 1 69 69 GLU N N 69 119.896 119.896 118.931 0.965 25543 7046 1 18 . 1 1 69 69 GLU HA H 69 4.123 4.123 3.987 0.136 25543 7047 1 18 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.417 -0.868 25543 7048 1 18 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.607 -0.197 25543 7049 1 18 . 1 1 69 69 GLU H H 69 8.149 8.149 8.172 -0.023 25543 7050 1 18 . 1 1 70 70 MET N N 70 119.261 119.261 118.505 0.756 25543 7051 1 18 . 1 1 70 70 MET HA H 70 4.434 4.434 4.238 0.196 25543 7052 1 18 . 1 1 70 70 MET C C 70 174.607 174.607 178.774 -4.167 25543 7053 1 18 . 1 1 70 70 MET CA C 70 56.884 56.884 57.889 -1.004 25543 7054 1 18 . 1 1 70 70 MET CB C 70 32.159 32.159 31.885 0.274 25543 7055 1 18 . 1 1 70 70 MET H H 70 8.215 8.215 8.195 0.020 25543 7056 1 18 . 1 1 71 71 SER N N 71 115.618 115.618 114.849 0.769 25543 7057 1 18 . 1 1 71 71 SER HA H 71 4.265 4.265 4.085 0.180 25543 7058 1 18 . 1 1 71 71 SER CA C 71 60.463 60.463 61.327 -0.863 25543 7059 1 18 . 1 1 71 71 SER CB C 71 63.135 63.135 62.842 0.293 25543 7060 1 18 . 1 1 71 71 SER H H 71 8.161 8.161 8.611 -0.451 25543 7061 1 18 . 1 1 72 72 GLU N N 72 122.328 122.328 120.392 1.936 25543 7062 1 18 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.181 -0.068 25543 7063 1 18 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.244 -0.128 25543 7064 1 18 . 1 1 72 72 GLU CB C 72 29.427 29.427 30.148 -0.721 25543 7065 1 18 . 1 1 72 72 GLU H H 72 8.247 8.247 7.908 0.339 25543 7066 1 18 . 1 1 73 73 PHE N N 73 120.564 120.564 120.265 0.299 25543 7067 1 18 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.290 0.110 25543 7068 1 18 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.371 -1.874 25543 7069 1 18 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.891 -0.709 25543 7070 1 18 . 1 1 73 73 PHE H H 73 8.126 8.126 7.966 0.160 25543 7071 1 18 . 1 1 74 74 LEU N N 74 120.761 120.761 117.796 2.965 25543 7072 1 18 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.040 0.112 25543 7073 1 18 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.962 -1.072 25543 7074 1 18 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.312 0.794 25543 7075 1 18 . 1 1 74 74 LEU H H 74 8.127 8.127 8.634 -0.507 25543 7076 1 18 . 1 1 75 75 SER N N 75 115.178 115.178 112.519 2.659 25543 7077 1 18 . 1 1 75 75 SER HA H 75 4.357 4.357 4.313 0.044 25543 7078 1 18 . 1 1 75 75 SER CA C 75 58.921 58.921 59.534 -0.613 25543 7079 1 18 . 1 1 75 75 SER CB C 75 63.534 63.534 62.884 0.650 25543 7080 1 18 . 1 1 75 75 SER H H 75 8.003 8.003 7.757 0.246 25543 7081 1 18 . 1 1 76 76 ARG N N 76 122.367 122.367 120.093 2.274 25543 7082 1 18 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.203 0.111 25543 7083 1 18 . 1 1 76 76 ARG CA C 76 56.406 56.406 57.398 -0.993 25543 7084 1 18 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.590 0.242 25543 7085 1 18 . 1 1 76 76 ARG H H 76 7.985 7.985 7.937 0.048 25543 7086 1 18 . 1 1 77 77 GLY N N 77 109.723 109.723 105.838 3.885 25543 7087 1 18 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.893 -0.493 25543 7088 1 18 . 1 1 77 77 GLY H H 77 8.151 8.151 8.311 -0.160 25543 7089 1 18 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.584 -0.219 25543 7090 1 18 . 1 1 78 78 PRO C C 78 173.976 173.976 177.904 -3.928 25543 7091 1 18 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.767 0.459 25543 7092 1 18 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.455 0.573 25543 7093 1 19 . 1 1 7 7 GLN N N 7 120.283 120.283 122.183 -1.900 25543 7094 1 19 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.993 0.142 25543 7095 1 19 . 1 1 7 7 GLN C C 7 174.902 174.902 178.145 -3.243 25543 7096 1 19 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.703 -1.385 25543 7097 1 19 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.676 1.024 25543 7098 1 19 . 1 1 7 7 GLN H H 7 8.340 8.340 8.882 -0.542 25543 7099 1 19 . 1 1 8 8 GLN N N 8 120.710 120.710 117.191 3.519 25543 7100 1 19 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.035 0.012 25543 7101 1 19 . 1 1 8 8 GLN C C 8 174.564 174.564 178.194 -3.630 25543 7102 1 19 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.758 -0.656 25543 7103 1 19 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.738 0.756 25543 7104 1 19 . 1 1 8 8 GLN H H 8 8.434 8.434 8.794 -0.360 25543 7105 1 19 . 1 1 9 9 ALA N N 9 122.740 122.740 122.675 0.065 25543 7106 1 19 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.135 0.058 25543 7107 1 19 . 1 1 9 9 ALA C C 9 177.504 177.504 179.458 -1.954 25543 7108 1 19 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.873 -0.291 25543 7109 1 19 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.099 0.032 25543 7110 1 19 . 1 1 9 9 ALA H H 9 8.144 8.144 7.786 0.358 25543 7111 1 19 . 1 1 10 10 VAL N N 10 120.344 120.344 118.978 1.366 25543 7112 1 19 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.615 0.180 25543 7113 1 19 . 1 1 10 10 VAL C C 10 175.143 175.143 177.989 -2.846 25543 7114 1 19 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.684 -0.258 25543 7115 1 19 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.852 0.216 25543 7116 1 19 . 1 1 10 10 VAL H H 10 7.854 7.854 7.862 -0.008 25543 7117 1 19 . 1 1 11 11 LEU N N 11 121.896 121.896 120.865 1.031 25543 7118 1 19 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.853 0.282 25543 7119 1 19 . 1 1 11 11 LEU C C 11 177.143 177.143 178.557 -1.414 25543 7120 1 19 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.492 -0.802 25543 7121 1 19 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.609 0.034 25543 7122 1 19 . 1 1 11 11 LEU H H 11 7.936 7.936 8.849 -0.913 25543 7123 1 19 . 1 1 12 12 GLU N N 12 120.197 120.197 118.347 1.850 25543 7124 1 19 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.895 0.245 25543 7125 1 19 . 1 1 12 12 GLU C C 12 175.602 175.602 179.347 -3.745 25543 7126 1 19 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.577 -1.071 25543 7127 1 19 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.344 -0.087 25543 7128 1 19 . 1 1 12 12 GLU H H 12 8.310 8.310 7.965 0.345 25543 7129 1 19 . 1 1 13 13 GLN N N 13 120.843 120.843 119.193 1.650 25543 7130 1 19 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.069 -0.151 25543 7131 1 19 . 1 1 13 13 GLN C C 13 174.656 174.656 178.409 -3.753 25543 7132 1 19 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.781 -0.359 25543 7133 1 19 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.346 -0.242 25543 7134 1 19 . 1 1 13 13 GLN H H 13 8.073 8.073 8.520 -0.447 25543 7135 1 19 . 1 1 14 14 GLU N N 14 119.589 119.589 119.740 -0.151 25543 7136 1 19 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.027 0.071 25543 7137 1 19 . 1 1 14 14 GLU C C 14 176.412 176.412 179.211 -2.799 25543 7138 1 19 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.491 -0.215 25543 7139 1 19 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.391 -0.072 25543 7140 1 19 . 1 1 14 14 GLU H H 14 8.340 8.340 8.230 0.110 25543 7141 1 19 . 1 1 15 15 ARG N N 15 120.353 120.353 118.922 1.431 25543 7142 1 19 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.926 0.054 25543 7143 1 19 . 1 1 15 15 ARG C C 15 175.896 175.896 178.836 -2.940 25543 7144 1 19 . 1 1 15 15 ARG CA C 15 59.503 59.503 60.021 -0.518 25543 7145 1 19 . 1 1 15 15 ARG CB C 15 29.834 29.834 30.075 -0.241 25543 7146 1 19 . 1 1 15 15 ARG H H 15 7.995 7.995 8.522 -0.527 25543 7147 1 19 . 1 1 16 16 ARG N N 16 120.490 120.490 119.235 1.255 25543 7148 1 19 . 1 1 16 16 ARG HA H 16 4.034 4.034 3.970 0.064 25543 7149 1 19 . 1 1 16 16 ARG C C 16 176.476 176.476 178.184 -1.708 25543 7150 1 19 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.475 -0.107 25543 7151 1 19 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.023 -0.191 25543 7152 1 19 . 1 1 16 16 ARG H H 16 8.169 8.169 8.142 0.027 25543 7153 1 19 . 1 1 17 17 ASP N N 17 120.965 120.965 119.181 1.784 25543 7154 1 19 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.301 0.138 25543 7155 1 19 . 1 1 17 17 ASP C C 17 176.291 176.291 178.922 -2.631 25543 7156 1 19 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.324 -0.072 25543 7157 1 19 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.530 -0.621 25543 7158 1 19 . 1 1 17 17 ASP H H 17 8.684 8.684 8.325 0.359 25543 7159 1 19 . 1 1 18 18 ARG N N 18 122.128 122.128 118.530 3.598 25543 7160 1 19 . 1 1 18 18 ARG HA H 18 4.131 4.131 4.084 0.047 25543 7161 1 19 . 1 1 18 18 ARG C C 18 175.897 175.897 178.966 -3.069 25543 7162 1 19 . 1 1 18 18 ARG CA C 18 59.153 59.153 58.810 0.342 25543 7163 1 19 . 1 1 18 18 ARG CB C 18 30.127 30.127 29.949 0.178 25543 7164 1 19 . 1 1 18 18 ARG H H 18 8.183 8.183 8.198 -0.015 25543 7165 1 19 . 1 1 19 19 GLU N N 19 120.044 120.044 120.220 -0.176 25543 7166 1 19 . 1 1 19 19 GLU HA H 19 4.017 4.017 4.057 -0.040 25543 7167 1 19 . 1 1 19 19 GLU C C 19 172.902 172.902 179.144 -6.242 25543 7168 1 19 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.415 -0.226 25543 7169 1 19 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.389 -0.085 25543 7170 1 19 . 1 1 19 19 GLU H H 19 8.207 8.207 7.973 0.234 25543 7171 1 19 . 1 1 20 20 LEU N N 20 121.172 121.172 119.934 1.238 25543 7172 1 19 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.960 0.172 25543 7173 1 19 . 1 1 20 20 LEU C C 20 174.935 174.935 178.973 -4.038 25543 7174 1 19 . 1 1 20 20 LEU CA C 20 57.876 57.876 57.816 0.060 25543 7175 1 19 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.117 0.553 25543 7176 1 19 . 1 1 20 20 LEU H H 20 8.102 8.102 8.467 -0.365 25543 7177 1 19 . 1 1 21 21 ALA N N 21 120.754 120.754 121.543 -0.789 25543 7178 1 19 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.937 0.150 25543 7179 1 19 . 1 1 21 21 ALA C C 21 177.689 177.689 179.856 -2.167 25543 7180 1 19 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.024 -0.354 25543 7181 1 19 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.119 -0.132 25543 7182 1 19 . 1 1 21 21 ALA H H 21 7.864 7.864 8.004 -0.140 25543 7183 1 19 . 1 1 22 22 LEU N N 22 119.357 119.357 119.349 0.008 25543 7184 1 19 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.996 0.181 25543 7185 1 19 . 1 1 22 22 LEU C C 22 175.842 175.842 178.759 -2.917 25543 7186 1 19 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.048 -0.991 25543 7187 1 19 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.923 0.040 25543 7188 1 19 . 1 1 22 22 LEU H H 22 7.901 7.901 8.023 -0.122 25543 7189 1 19 . 1 1 23 23 ARG N N 23 120.416 120.416 119.755 0.661 25543 7190 1 19 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.900 0.251 25543 7191 1 19 . 1 1 23 23 ARG C C 23 176.236 176.236 179.051 -2.815 25543 7192 1 19 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.962 -1.428 25543 7193 1 19 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.130 0.027 25543 7194 1 19 . 1 1 23 23 ARG H H 23 7.890 7.890 7.974 -0.084 25543 7195 1 19 . 1 1 24 24 ILE N N 24 121.088 121.088 119.188 1.900 25543 7196 1 19 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.611 0.266 25543 7197 1 19 . 1 1 24 24 ILE C C 24 174.946 174.946 177.675 -2.729 25543 7198 1 19 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.911 -1.297 25543 7199 1 19 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.394 0.821 25543 7200 1 19 . 1 1 24 24 ILE H H 24 8.254 8.254 8.231 0.023 25543 7201 1 19 . 1 1 25 25 ALA N N 25 124.216 124.216 122.372 1.844 25543 7202 1 19 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.869 0.353 25543 7203 1 19 . 1 1 25 25 ALA C C 25 176.883 176.883 179.977 -3.094 25543 7204 1 19 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.250 -1.177 25543 7205 1 19 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.117 0.360 25543 7206 1 19 . 1 1 25 25 ALA H H 25 8.053 8.053 8.126 -0.073 25543 7207 1 19 . 1 1 26 26 GLN N N 26 118.617 118.617 115.925 2.692 25543 7208 1 19 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.133 0.070 25543 7209 1 19 . 1 1 26 26 GLN C C 26 174.564 174.564 178.772 -4.208 25543 7210 1 19 . 1 1 26 26 GLN CA C 26 57.219 57.219 57.983 -0.764 25543 7211 1 19 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.147 0.722 25543 7212 1 19 . 1 1 26 26 GLN H H 26 8.269 8.269 8.605 -0.336 25543 7213 1 19 . 1 1 27 27 SER N N 27 116.340 116.340 116.759 -0.419 25543 7214 1 19 . 1 1 27 27 SER HA H 27 4.350 4.350 4.210 0.141 25543 7215 1 19 . 1 1 27 27 SER C C 27 172.902 172.902 176.288 -3.386 25543 7216 1 19 . 1 1 27 27 SER CA C 27 59.941 59.941 61.827 -1.886 25543 7217 1 19 . 1 1 27 27 SER CB C 27 63.458 63.458 63.093 0.365 25543 7218 1 19 . 1 1 27 27 SER H H 27 8.195 8.195 8.182 0.013 25543 7219 1 19 . 1 1 28 28 GLU N N 28 122.168 122.168 121.027 1.141 25543 7220 1 19 . 1 1 28 28 GLU HA H 28 4.167 4.167 3.992 0.175 25543 7221 1 19 . 1 1 28 28 GLU C C 28 174.568 174.568 178.396 -3.828 25543 7222 1 19 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.912 -1.036 25543 7223 1 19 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.610 0.350 25543 7224 1 19 . 1 1 28 28 GLU H H 28 8.316 8.316 8.346 -0.030 25543 7225 1 19 . 1 1 29 29 ALA N N 29 122.950 122.950 121.372 1.578 25543 7226 1 19 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.149 0.054 25543 7227 1 19 . 1 1 29 29 ALA C C 29 176.938 176.938 179.394 -2.456 25543 7228 1 19 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.386 -1.029 25543 7229 1 19 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.859 -0.006 25543 7230 1 19 . 1 1 29 29 ALA H H 29 8.029 8.029 8.003 0.026 25543 7231 1 19 . 1 1 30 30 GLU N N 30 119.092 119.092 117.084 2.008 25543 7232 1 19 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.262 -0.108 25543 7233 1 19 . 1 1 30 30 GLU C C 30 174.531 174.531 177.188 -2.657 25543 7234 1 19 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.257 0.832 25543 7235 1 19 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.356 -0.415 25543 7236 1 19 . 1 1 30 30 GLU H H 30 8.104 8.104 7.795 0.309 25543 7237 1 19 . 1 1 31 31 LEU N N 31 122.322 122.322 118.880 3.442 25543 7238 1 19 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.943 0.345 25543 7239 1 19 . 1 1 31 31 LEU C C 31 176.006 176.006 175.397 0.609 25543 7240 1 19 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.081 -0.383 25543 7241 1 19 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.929 1.189 25543 7242 1 19 . 1 1 31 31 LEU H H 31 8.016 8.016 7.961 0.055 25543 7243 1 19 . 1 1 32 32 ILE N N 32 121.365 121.365 119.860 1.505 25543 7244 1 19 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.170 -0.018 25543 7245 1 19 . 1 1 32 32 ILE CA C 32 61.344 61.344 60.634 0.710 25543 7246 1 19 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.739 -0.210 25543 7247 1 19 . 1 1 32 32 ILE H H 32 8.050 8.050 7.668 0.382 25543 7248 1 19 . 1 1 33 33 SER N N 33 120.203 120.203 115.943 4.260 25543 7249 1 19 . 1 1 33 33 SER HA H 33 4.409 4.409 4.087 0.322 25543 7250 1 19 . 1 1 33 33 SER CA C 33 58.468 58.468 58.667 -0.199 25543 7251 1 19 . 1 1 33 33 SER CB C 33 64.021 64.021 63.244 0.777 25543 7252 1 19 . 1 1 33 33 SER H H 33 8.391 8.391 8.482 -0.091 25543 7253 1 19 . 1 1 34 34 ASP N N 34 123.136 123.136 119.954 3.182 25543 7254 1 19 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.252 0.242 25543 7255 1 19 . 1 1 34 34 ASP C C 34 175.121 175.121 177.293 -2.172 25543 7256 1 19 . 1 1 34 34 ASP CA C 34 55.680 55.680 56.326 -0.646 25543 7257 1 19 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.913 -0.235 25543 7258 1 19 . 1 1 34 34 ASP H H 34 8.629 8.629 8.488 0.141 25543 7259 1 19 . 1 1 35 35 GLU N N 35 121.638 121.638 119.945 1.693 25543 7260 1 19 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.076 0.032 25543 7261 1 19 . 1 1 35 35 GLU C C 35 174.886 174.886 177.904 -3.018 25543 7262 1 19 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.648 -1.062 25543 7263 1 19 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.582 -0.049 25543 7264 1 19 . 1 1 35 35 GLU H H 35 8.579 8.579 8.060 0.519 25543 7265 1 19 . 1 1 36 36 ALA N N 36 123.946 123.946 123.075 0.871 25543 7266 1 19 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.901 0.328 25543 7267 1 19 . 1 1 36 36 ALA C C 36 177.012 177.012 180.080 -3.068 25543 7268 1 19 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.392 -1.584 25543 7269 1 19 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.100 0.445 25543 7270 1 19 . 1 1 36 36 ALA H H 36 8.235 8.235 7.972 0.263 25543 7271 1 19 . 1 1 37 37 GLN N N 37 118.885 118.885 117.680 1.205 25543 7272 1 19 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.965 0.161 25543 7273 1 19 . 1 1 37 37 GLN C C 37 174.897 174.897 178.685 -3.788 25543 7274 1 19 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.434 -1.033 25543 7275 1 19 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.085 0.696 25543 7276 1 19 . 1 1 37 37 GLN H H 37 8.295 8.295 7.743 0.552 25543 7277 1 19 . 1 1 38 38 ALA N N 38 124.163 124.163 122.790 1.373 25543 7278 1 19 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.905 0.269 25543 7279 1 19 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.276 -1.180 25543 7280 1 19 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.338 0.118 25543 7281 1 19 . 1 1 38 38 ALA H H 38 8.217 8.217 8.169 0.048 25543 7282 1 19 . 1 1 39 39 ASP N N 39 119.226 119.226 119.357 -0.131 25543 7283 1 19 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.351 0.125 25543 7284 1 19 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.023 -1.179 25543 7285 1 19 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.757 0.222 25543 7286 1 19 . 1 1 39 39 ASP H H 39 8.145 8.145 8.356 -0.211 25543 7287 1 19 . 1 1 40 40 LEU N N 40 121.976 121.976 120.180 1.796 25543 7288 1 19 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.842 0.223 25543 7289 1 19 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.036 -0.906 25543 7290 1 19 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.679 0.283 25543 7291 1 19 . 1 1 40 40 LEU H H 40 8.018 8.018 8.201 -0.183 25543 7292 1 19 . 1 1 41 41 ALA N N 41 121.547 121.547 121.685 -0.138 25543 7293 1 19 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.006 0.094 25543 7294 1 19 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.036 -0.977 25543 7295 1 19 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.209 -0.013 25543 7296 1 19 . 1 1 41 41 ALA H H 41 8.076 8.076 8.020 0.056 25543 7297 1 19 . 1 1 42 42 LEU N N 42 119.599 119.599 117.989 1.610 25543 7298 1 19 . 1 1 42 42 LEU HA H 42 4.197 4.197 3.909 0.288 25543 7299 1 19 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.513 -1.111 25543 7300 1 19 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.853 0.173 25543 7301 1 19 . 1 1 42 42 LEU H H 42 7.832 7.832 8.005 -0.173 25543 7302 1 19 . 1 1 43 43 ARG N N 43 120.126 120.126 117.911 2.215 25543 7303 1 19 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.053 0.068 25543 7304 1 19 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.929 -1.251 25543 7305 1 19 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.381 -0.187 25543 7306 1 19 . 1 1 43 43 ARG H H 43 8.047 8.047 8.101 -0.054 25543 7307 1 19 . 1 1 44 44 ARG N N 44 120.206 120.206 118.386 1.820 25543 7308 1 19 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.126 0.113 25543 7309 1 19 . 1 1 44 44 ARG C C 44 173.165 173.165 176.357 -3.192 25543 7310 1 19 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.599 -0.488 25543 7311 1 19 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.227 0.365 25543 7312 1 19 . 1 1 44 44 ARG H H 44 8.206 8.206 8.304 -0.098 25543 7313 1 19 . 1 1 45 45 SER N N 45 116.312 116.312 114.224 2.088 25543 7314 1 19 . 1 1 45 45 SER HA H 45 4.369 4.369 4.353 0.016 25543 7315 1 19 . 1 1 45 45 SER C C 45 170.903 170.903 175.920 -5.017 25543 7316 1 19 . 1 1 45 45 SER CA C 45 59.151 59.151 58.002 1.149 25543 7317 1 19 . 1 1 45 45 SER CB C 45 63.539 63.539 63.468 0.071 25543 7318 1 19 . 1 1 45 45 SER H H 45 8.171 8.171 7.480 0.691 25543 7319 1 19 . 1 1 46 46 LEU N N 46 123.524 123.524 128.062 -4.538 25543 7320 1 19 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.288 0.002 25543 7321 1 19 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.740 -1.021 25543 7322 1 19 . 1 1 46 46 LEU CB C 46 42.071 42.071 41.533 0.537 25543 7323 1 19 . 1 1 46 46 LEU H H 46 8.168 8.168 8.822 -0.654 25543 7324 1 19 . 1 1 47 47 ASP N N 47 119.853 119.853 116.133 3.720 25543 7325 1 19 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.561 -0.024 25543 7326 1 19 . 1 1 47 47 ASP C C 47 173.143 173.143 176.297 -3.154 25543 7327 1 19 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.103 -0.364 25543 7328 1 19 . 1 1 47 47 ASP CB C 47 40.937 40.937 39.824 1.113 25543 7329 1 19 . 1 1 47 47 ASP H H 47 8.154 8.154 7.759 0.395 25543 7330 1 19 . 1 1 48 48 SER N N 48 114.867 114.867 115.196 -0.329 25543 7331 1 19 . 1 1 48 48 SER HA H 48 4.340 4.340 4.130 0.210 25543 7332 1 19 . 1 1 48 48 SER C C 48 170.816 170.816 174.467 -3.651 25543 7333 1 19 . 1 1 48 48 SER CA C 48 58.345 58.345 59.884 -1.539 25543 7334 1 19 . 1 1 48 48 SER CB C 48 63.835 63.835 63.403 0.432 25543 7335 1 19 . 1 1 48 48 SER H H 48 7.960 7.960 7.445 0.515 25543 7336 1 19 . 1 1 49 49 TYR N N 49 123.355 123.355 122.420 0.935 25543 7337 1 19 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.771 -0.036 25543 7338 1 19 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.009 1.132 25543 7339 1 19 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.071 1.073 25543 7340 1 19 . 1 1 49 49 TYR H H 49 8.102 8.102 7.289 0.813 25543 7341 1 19 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.447 -0.020 25543 7342 1 19 . 1 1 50 50 PRO C C 50 173.908 173.908 176.355 -2.447 25543 7343 1 19 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.520 0.525 25543 7344 1 19 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.503 -0.611 25543 7345 1 19 . 1 1 51 51 VAL N N 51 120.746 120.746 115.602 5.144 25543 7346 1 19 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.500 -0.412 25543 7347 1 19 . 1 1 51 51 VAL C C 51 173.504 173.504 175.491 -1.987 25543 7348 1 19 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.645 0.657 25543 7349 1 19 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.590 0.276 25543 7350 1 19 . 1 1 51 51 VAL H H 51 8.270 8.270 8.136 0.134 25543 7351 1 19 . 1 1 52 52 SER N N 52 119.837 119.837 122.946 -3.109 25543 7352 1 19 . 1 1 52 52 SER HA H 52 4.429 4.429 4.768 -0.339 25543 7353 1 19 . 1 1 52 52 SER C C 52 171.799 171.799 173.426 -1.627 25543 7354 1 19 . 1 1 52 52 SER CA C 52 58.088 58.088 57.917 0.171 25543 7355 1 19 . 1 1 52 52 SER CB C 52 63.948 63.948 64.428 -0.480 25543 7356 1 19 . 1 1 52 52 SER H H 52 8.493 8.493 8.335 0.158 25543 7357 1 19 . 1 1 53 53 LYS N N 53 123.948 123.948 119.885 4.063 25543 7358 1 19 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.476 -0.205 25543 7359 1 19 . 1 1 53 53 LYS C C 53 173.547 173.547 175.839 -2.292 25543 7360 1 19 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.034 0.466 25543 7361 1 19 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.763 -0.796 25543 7362 1 19 . 1 1 53 53 LYS H H 53 8.531 8.531 8.176 0.355 25543 7363 1 19 . 1 1 54 54 ASN N N 54 119.853 119.853 118.142 1.711 25543 7364 1 19 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.531 0.168 25543 7365 1 19 . 1 1 54 54 ASN C C 54 172.115 172.115 174.925 -2.810 25543 7366 1 19 . 1 1 54 54 ASN CA C 54 53.212 53.212 54.010 -0.798 25543 7367 1 19 . 1 1 54 54 ASN CB C 54 38.801 38.801 37.816 0.985 25543 7368 1 19 . 1 1 54 54 ASN H H 54 8.532 8.532 8.871 -0.339 25543 7369 1 19 . 1 1 55 55 ASP N N 55 121.271 121.271 117.483 3.788 25543 7370 1 19 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.619 -0.045 25543 7371 1 19 . 1 1 55 55 ASP C C 55 174.105 174.105 177.161 -3.056 25543 7372 1 19 . 1 1 55 55 ASP CA C 55 54.159 54.159 52.163 1.996 25543 7373 1 19 . 1 1 55 55 ASP CB C 55 41.040 41.040 38.836 2.204 25543 7374 1 19 . 1 1 55 55 ASP H H 55 8.297 8.297 8.386 -0.089 25543 7375 1 19 . 1 1 56 56 GLY N N 56 109.368 109.368 107.318 2.050 25543 7376 1 19 . 1 1 56 56 GLY C C 56 171.941 171.941 174.924 -2.983 25543 7377 1 19 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.949 -0.438 25543 7378 1 19 . 1 1 56 56 GLY H H 56 8.497 8.497 7.575 0.922 25543 7379 1 19 . 1 1 57 57 THR N N 57 113.628 113.628 110.914 2.714 25543 7380 1 19 . 1 1 57 57 THR HA H 57 4.275 4.275 3.768 0.507 25543 7381 1 19 . 1 1 57 57 THR C C 57 171.744 171.744 174.714 -2.970 25543 7382 1 19 . 1 1 57 57 THR CA C 57 62.240 62.240 63.145 -0.905 25543 7383 1 19 . 1 1 57 57 THR CB C 57 69.941 69.941 67.454 2.486 25543 7384 1 19 . 1 1 57 57 THR H H 57 8.156 8.156 8.064 0.092 25543 7385 1 19 . 1 1 58 58 ARG N N 58 124.521 124.521 122.731 1.790 25543 7386 1 19 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.556 0.064 25543 7387 1 19 . 1 1 58 58 ARG C C 58 171.187 171.187 175.475 -4.288 25543 7388 1 19 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.051 -0.082 25543 7389 1 19 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.541 -0.395 25543 7390 1 19 . 1 1 58 58 ARG H H 58 8.322 8.322 7.971 0.351 25543 7391 1 19 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.501 -0.119 25543 7392 1 19 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.741 0.162 25543 7393 1 19 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.365 -0.172 25543 7394 1 19 . 1 1 60 60 LYS N N 60 122.142 122.142 120.157 1.985 25543 7395 1 19 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.523 -0.320 25543 7396 1 19 . 1 1 60 60 LYS CA C 60 56.328 56.328 56.227 0.101 25543 7397 1 19 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.699 -0.894 25543 7398 1 19 . 1 1 60 60 LYS H H 60 8.513 8.513 8.325 0.188 25543 7399 1 19 . 1 1 61 61 MET N N 61 122.695 122.695 123.676 -0.981 25543 7400 1 19 . 1 1 61 61 MET HA H 61 4.598 4.598 4.674 -0.076 25543 7401 1 19 . 1 1 61 61 MET C C 61 173.077 173.077 176.434 -3.357 25543 7402 1 19 . 1 1 61 61 MET CA C 61 55.296 55.296 55.064 0.232 25543 7403 1 19 . 1 1 61 61 MET CB C 61 34.491 34.491 33.064 1.427 25543 7404 1 19 . 1 1 61 61 MET H H 61 8.446 8.446 8.258 0.188 25543 7405 1 19 . 1 1 62 62 THR N N 62 115.170 115.170 117.029 -1.859 25543 7406 1 19 . 1 1 62 62 THR HA H 62 4.620 4.620 4.461 0.159 25543 7407 1 19 . 1 1 62 62 THR C C 62 170.881 170.881 175.065 -4.184 25543 7408 1 19 . 1 1 62 62 THR CA C 62 59.858 59.858 60.276 -0.417 25543 7409 1 19 . 1 1 62 62 THR CB C 62 68.752 68.752 69.864 -1.112 25543 7410 1 19 . 1 1 62 62 THR H H 62 8.437 8.437 8.503 -0.066 25543 7411 1 19 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.215 0.059 25543 7412 1 19 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.335 0.039 25543 7413 1 19 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.935 -0.172 25543 7414 1 19 . 1 1 64 64 GLU N N 64 118.596 118.596 118.962 -0.366 25543 7415 1 19 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.006 0.057 25543 7416 1 19 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.678 -0.065 25543 7417 1 19 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.191 -0.174 25543 7418 1 19 . 1 1 64 64 GLU H H 64 8.813 8.813 8.287 0.526 25543 7419 1 19 . 1 1 65 65 GLN N N 65 121.250 121.250 118.203 3.047 25543 7420 1 19 . 1 1 65 65 GLN HA H 65 4.046 4.046 4.065 -0.019 25543 7421 1 19 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.609 -0.493 25543 7422 1 19 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.629 0.082 25543 7423 1 19 . 1 1 65 65 GLN H H 65 7.964 7.964 7.781 0.183 25543 7424 1 19 . 1 1 66 66 MET N N 66 120.082 120.082 118.471 1.611 25543 7425 1 19 . 1 1 66 66 MET HA H 66 4.156 4.156 4.000 0.156 25543 7426 1 19 . 1 1 66 66 MET CA C 66 58.241 58.241 59.475 -1.234 25543 7427 1 19 . 1 1 66 66 MET CB C 66 32.558 32.558 32.158 0.400 25543 7428 1 19 . 1 1 66 66 MET H H 66 8.429 8.429 7.815 0.614 25543 7429 1 19 . 1 1 67 67 ALA N N 67 122.222 122.222 122.082 0.140 25543 7430 1 19 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.972 0.185 25543 7431 1 19 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.416 -1.145 25543 7432 1 19 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.998 0.281 25543 7433 1 19 . 1 1 67 67 ALA H H 67 8.106 8.106 8.345 -0.239 25543 7434 1 19 . 1 1 68 68 LYS N N 68 120.031 120.031 119.748 0.283 25543 7435 1 19 . 1 1 68 68 LYS HA H 68 4.127 4.127 4.004 0.123 25543 7436 1 19 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.304 -0.931 25543 7437 1 19 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.187 0.417 25543 7438 1 19 . 1 1 68 68 LYS H H 68 7.815 7.815 8.065 -0.250 25543 7439 1 19 . 1 1 69 69 GLU N N 69 119.896 119.896 119.064 0.832 25543 7440 1 19 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.042 0.081 25543 7441 1 19 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.297 -0.748 25543 7442 1 19 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.398 0.012 25543 7443 1 19 . 1 1 69 69 GLU H H 69 8.149 8.149 8.169 -0.020 25543 7444 1 19 . 1 1 70 70 MET N N 70 119.261 119.261 118.740 0.521 25543 7445 1 19 . 1 1 70 70 MET HA H 70 4.434 4.434 4.241 0.193 25543 7446 1 19 . 1 1 70 70 MET C C 70 174.607 174.607 178.876 -4.269 25543 7447 1 19 . 1 1 70 70 MET CA C 70 56.884 56.884 57.904 -1.020 25543 7448 1 19 . 1 1 70 70 MET CB C 70 32.159 32.159 31.745 0.414 25543 7449 1 19 . 1 1 70 70 MET H H 70 8.215 8.215 8.449 -0.234 25543 7450 1 19 . 1 1 71 71 SER N N 71 115.618 115.618 115.307 0.311 25543 7451 1 19 . 1 1 71 71 SER HA H 71 4.265 4.265 4.074 0.191 25543 7452 1 19 . 1 1 71 71 SER CA C 71 60.463 60.463 61.954 -1.491 25543 7453 1 19 . 1 1 71 71 SER CB C 71 63.135 63.135 62.838 0.297 25543 7454 1 19 . 1 1 71 71 SER H H 71 8.161 8.161 8.669 -0.508 25543 7455 1 19 . 1 1 72 72 GLU N N 72 122.328 122.328 120.133 2.195 25543 7456 1 19 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.149 -0.036 25543 7457 1 19 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.190 -0.074 25543 7458 1 19 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.546 -0.119 25543 7459 1 19 . 1 1 72 72 GLU H H 72 8.247 8.247 8.141 0.106 25543 7460 1 19 . 1 1 73 73 PHE N N 73 120.564 120.564 118.822 1.742 25543 7461 1 19 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.316 0.084 25543 7462 1 19 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.672 -1.175 25543 7463 1 19 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.935 -0.754 25543 7464 1 19 . 1 1 73 73 PHE H H 73 8.126 8.126 7.851 0.275 25543 7465 1 19 . 1 1 74 74 LEU N N 74 120.761 120.761 115.609 5.152 25543 7466 1 19 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.167 -0.015 25543 7467 1 19 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.012 -0.122 25543 7468 1 19 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.910 0.196 25543 7469 1 19 . 1 1 74 74 LEU H H 74 8.127 8.127 8.405 -0.278 25543 7470 1 19 . 1 1 75 75 SER N N 75 115.178 115.178 113.046 2.132 25543 7471 1 19 . 1 1 75 75 SER HA H 75 4.357 4.357 4.557 -0.200 25543 7472 1 19 . 1 1 75 75 SER CA C 75 58.921 58.921 56.905 2.016 25543 7473 1 19 . 1 1 75 75 SER CB C 75 63.534 63.534 64.045 -0.511 25543 7474 1 19 . 1 1 75 75 SER H H 75 8.003 8.003 7.304 0.699 25543 7475 1 19 . 1 1 76 76 ARG N N 76 122.367 122.367 125.974 -3.607 25543 7476 1 19 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.437 -0.123 25543 7477 1 19 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.481 -0.075 25543 7478 1 19 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.721 0.111 25543 7479 1 19 . 1 1 76 76 ARG H H 76 7.985 7.985 8.345 -0.360 25543 7480 1 19 . 1 1 77 77 GLY N N 77 109.723 109.723 110.499 -0.776 25543 7481 1 19 . 1 1 77 77 GLY CA C 77 44.400 44.400 45.142 -0.742 25543 7482 1 19 . 1 1 77 77 GLY H H 77 8.151 8.151 8.391 -0.240 25543 7483 1 19 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.431 -0.066 25543 7484 1 19 . 1 1 78 78 PRO C C 78 173.976 173.976 176.300 -2.324 25543 7485 1 19 . 1 1 78 78 PRO CA C 78 63.226 63.226 62.806 0.420 25543 7486 1 19 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.756 0.272 25543 7487 1 20 . 1 1 7 7 GLN N N 7 120.283 120.283 120.728 -0.445 25543 7488 1 20 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.956 0.179 25543 7489 1 20 . 1 1 7 7 GLN C C 7 174.902 174.902 177.933 -3.031 25543 7490 1 20 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.919 -1.601 25543 7491 1 20 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.713 0.987 25543 7492 1 20 . 1 1 7 7 GLN H H 7 8.340 8.340 8.664 -0.324 25543 7493 1 20 . 1 1 8 8 GLN N N 8 120.710 120.710 117.971 2.739 25543 7494 1 20 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.040 0.007 25543 7495 1 20 . 1 1 8 8 GLN C C 8 174.564 174.564 177.858 -3.294 25543 7496 1 20 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.733 -0.632 25543 7497 1 20 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.605 0.889 25543 7498 1 20 . 1 1 8 8 GLN H H 8 8.434 8.434 8.622 -0.188 25543 7499 1 20 . 1 1 9 9 ALA N N 9 122.740 122.740 122.105 0.635 25543 7500 1 20 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.094 0.099 25543 7501 1 20 . 1 1 9 9 ALA C C 9 177.504 177.504 179.548 -2.044 25543 7502 1 20 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.918 -0.336 25543 7503 1 20 . 1 1 9 9 ALA CB C 9 18.131 18.131 17.908 0.223 25543 7504 1 20 . 1 1 9 9 ALA H H 9 8.144 8.144 7.760 0.384 25543 7505 1 20 . 1 1 10 10 VAL N N 10 120.344 120.344 119.028 1.316 25543 7506 1 20 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.735 0.060 25543 7507 1 20 . 1 1 10 10 VAL C C 10 175.143 175.143 178.076 -2.933 25543 7508 1 20 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.252 0.174 25543 7509 1 20 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.290 0.778 25543 7510 1 20 . 1 1 10 10 VAL H H 10 7.854 7.854 7.882 -0.028 25543 7511 1 20 . 1 1 11 11 LEU N N 11 121.896 121.896 120.775 1.121 25543 7512 1 20 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.853 0.282 25543 7513 1 20 . 1 1 11 11 LEU C C 11 177.143 177.143 178.401 -1.258 25543 7514 1 20 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.554 -0.864 25543 7515 1 20 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.563 0.080 25543 7516 1 20 . 1 1 11 11 LEU H H 11 7.936 7.936 8.756 -0.820 25543 7517 1 20 . 1 1 12 12 GLU N N 12 120.197 120.197 118.018 2.179 25543 7518 1 20 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.859 0.281 25543 7519 1 20 . 1 1 12 12 GLU C C 12 175.602 175.602 179.271 -3.669 25543 7520 1 20 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.347 -0.841 25543 7521 1 20 . 1 1 12 12 GLU CB C 12 29.257 29.257 28.984 0.273 25543 7522 1 20 . 1 1 12 12 GLU H H 12 8.310 8.310 8.190 0.120 25543 7523 1 20 . 1 1 13 13 GLN N N 13 120.843 120.843 119.689 1.154 25543 7524 1 20 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.106 -0.188 25543 7525 1 20 . 1 1 13 13 GLN C C 13 174.656 174.656 178.589 -3.933 25543 7526 1 20 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.491 -0.070 25543 7527 1 20 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.395 -0.291 25543 7528 1 20 . 1 1 13 13 GLN H H 13 8.073 8.073 8.417 -0.344 25543 7529 1 20 . 1 1 14 14 GLU N N 14 119.589 119.589 120.185 -0.596 25543 7530 1 20 . 1 1 14 14 GLU HA H 14 4.098 4.098 4.037 0.061 25543 7531 1 20 . 1 1 14 14 GLU C C 14 176.412 176.412 178.811 -2.399 25543 7532 1 20 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.640 -0.364 25543 7533 1 20 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.483 -0.164 25543 7534 1 20 . 1 1 14 14 GLU H H 14 8.340 8.340 8.145 0.195 25543 7535 1 20 . 1 1 15 15 ARG N N 15 120.353 120.353 118.285 2.068 25543 7536 1 20 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.947 0.033 25543 7537 1 20 . 1 1 15 15 ARG C C 15 175.896 175.896 178.444 -2.548 25543 7538 1 20 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.640 -0.137 25543 7539 1 20 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.813 0.021 25543 7540 1 20 . 1 1 15 15 ARG H H 15 7.995 7.995 8.389 -0.394 25543 7541 1 20 . 1 1 16 16 ARG N N 16 120.490 120.490 120.818 -0.328 25543 7542 1 20 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.208 -0.174 25543 7543 1 20 . 1 1 16 16 ARG C C 16 176.476 176.476 178.042 -1.566 25543 7544 1 20 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.502 -0.134 25543 7545 1 20 . 1 1 16 16 ARG CB C 16 29.832 29.832 30.070 -0.238 25543 7546 1 20 . 1 1 16 16 ARG H H 16 8.169 8.169 8.317 -0.148 25543 7547 1 20 . 1 1 17 17 ASP N N 17 120.965 120.965 119.096 1.869 25543 7548 1 20 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.274 0.165 25543 7549 1 20 . 1 1 17 17 ASP C C 17 176.291 176.291 178.625 -2.334 25543 7550 1 20 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.646 -0.394 25543 7551 1 20 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.775 -0.866 25543 7552 1 20 . 1 1 17 17 ASP H H 17 8.684 8.684 8.294 0.390 25543 7553 1 20 . 1 1 18 18 ARG N N 18 122.128 122.128 119.027 3.101 25543 7554 1 20 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.915 0.216 25543 7555 1 20 . 1 1 18 18 ARG C C 18 175.897 175.897 178.814 -2.917 25543 7556 1 20 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.650 -0.497 25543 7557 1 20 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.220 -0.093 25543 7558 1 20 . 1 1 18 18 ARG H H 18 8.183 8.183 8.102 0.081 25543 7559 1 20 . 1 1 19 19 GLU N N 19 120.044 120.044 120.134 -0.090 25543 7560 1 20 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.924 0.093 25543 7561 1 20 . 1 1 19 19 GLU C C 19 172.902 172.902 179.196 -6.294 25543 7562 1 20 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.547 -0.358 25543 7563 1 20 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.458 -0.154 25543 7564 1 20 . 1 1 19 19 GLU H H 19 8.207 8.207 8.180 0.027 25543 7565 1 20 . 1 1 20 20 LEU N N 20 121.172 121.172 119.958 1.214 25543 7566 1 20 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.928 0.204 25543 7567 1 20 . 1 1 20 20 LEU C C 20 174.935 174.935 179.049 -4.114 25543 7568 1 20 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.189 -0.313 25543 7569 1 20 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.106 0.563 25543 7570 1 20 . 1 1 20 20 LEU H H 20 8.102 8.102 8.131 -0.029 25543 7571 1 20 . 1 1 21 21 ALA N N 21 120.754 120.754 121.518 -0.764 25543 7572 1 20 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.904 0.183 25543 7573 1 20 . 1 1 21 21 ALA C C 21 177.689 177.689 180.006 -2.317 25543 7574 1 20 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.026 -0.356 25543 7575 1 20 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.065 -0.078 25543 7576 1 20 . 1 1 21 21 ALA H H 21 7.864 7.864 8.118 -0.254 25543 7577 1 20 . 1 1 22 22 LEU N N 22 119.357 119.357 119.346 0.011 25543 7578 1 20 . 1 1 22 22 LEU HA H 22 4.177 4.177 3.982 0.195 25543 7579 1 20 . 1 1 22 22 LEU C C 22 175.842 175.842 178.819 -2.977 25543 7580 1 20 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.099 -1.042 25543 7581 1 20 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.878 0.085 25543 7582 1 20 . 1 1 22 22 LEU H H 22 7.901 7.901 8.370 -0.469 25543 7583 1 20 . 1 1 23 23 ARG N N 23 120.416 120.416 119.521 0.895 25543 7584 1 20 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.909 0.242 25543 7585 1 20 . 1 1 23 23 ARG C C 23 176.236 176.236 179.021 -2.785 25543 7586 1 20 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.910 -1.376 25543 7587 1 20 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.134 0.023 25543 7588 1 20 . 1 1 23 23 ARG H H 23 7.890 7.890 7.945 -0.055 25543 7589 1 20 . 1 1 24 24 ILE N N 24 121.088 121.088 119.607 1.481 25543 7590 1 20 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.579 0.298 25543 7591 1 20 . 1 1 24 24 ILE C C 24 174.946 174.946 177.829 -2.883 25543 7592 1 20 . 1 1 24 24 ILE CA C 24 63.614 63.614 65.334 -1.720 25543 7593 1 20 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.488 0.727 25543 7594 1 20 . 1 1 24 24 ILE H H 24 8.254 8.254 8.263 -0.009 25543 7595 1 20 . 1 1 25 25 ALA N N 25 124.216 124.216 122.141 2.075 25543 7596 1 20 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.862 0.360 25543 7597 1 20 . 1 1 25 25 ALA C C 25 176.883 176.883 179.938 -3.055 25543 7598 1 20 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.120 -1.048 25543 7599 1 20 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.115 0.362 25543 7600 1 20 . 1 1 25 25 ALA H H 25 8.053 8.053 8.087 -0.034 25543 7601 1 20 . 1 1 26 26 GLN N N 26 118.617 118.617 116.284 2.333 25543 7602 1 20 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.053 0.150 25543 7603 1 20 . 1 1 26 26 GLN C C 26 174.564 174.564 178.689 -4.125 25543 7604 1 20 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.343 -1.125 25543 7605 1 20 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.552 0.317 25543 7606 1 20 . 1 1 26 26 GLN H H 26 8.269 8.269 8.346 -0.077 25543 7607 1 20 . 1 1 27 27 SER N N 27 116.340 116.340 116.360 -0.020 25543 7608 1 20 . 1 1 27 27 SER HA H 27 4.350 4.350 4.211 0.139 25543 7609 1 20 . 1 1 27 27 SER C C 27 172.902 172.902 176.343 -3.441 25543 7610 1 20 . 1 1 27 27 SER CA C 27 59.941 59.941 61.492 -1.551 25543 7611 1 20 . 1 1 27 27 SER CB C 27 63.458 63.458 63.040 0.418 25543 7612 1 20 . 1 1 27 27 SER H H 27 8.195 8.195 8.246 -0.051 25543 7613 1 20 . 1 1 28 28 GLU N N 28 122.168 122.168 121.078 1.090 25543 7614 1 20 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.022 0.145 25543 7615 1 20 . 1 1 28 28 GLU C C 28 174.568 174.568 178.674 -4.106 25543 7616 1 20 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.903 -1.027 25543 7617 1 20 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.530 0.430 25543 7618 1 20 . 1 1 28 28 GLU H H 28 8.316 8.316 8.465 -0.149 25543 7619 1 20 . 1 1 29 29 ALA N N 29 122.950 122.950 122.273 0.677 25543 7620 1 20 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.142 0.061 25543 7621 1 20 . 1 1 29 29 ALA C C 29 176.938 176.938 179.217 -2.279 25543 7622 1 20 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.382 -1.025 25543 7623 1 20 . 1 1 29 29 ALA CB C 29 18.853 18.853 18.978 -0.125 25543 7624 1 20 . 1 1 29 29 ALA H H 29 8.029 8.029 8.092 -0.063 25543 7625 1 20 . 1 1 30 30 GLU N N 30 119.092 119.092 116.604 2.488 25543 7626 1 20 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.192 -0.038 25543 7627 1 20 . 1 1 30 30 GLU C C 30 174.531 174.531 177.010 -2.479 25543 7628 1 20 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.735 0.354 25543 7629 1 20 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.340 -0.399 25543 7630 1 20 . 1 1 30 30 GLU H H 30 8.104 8.104 7.776 0.328 25543 7631 1 20 . 1 1 31 31 LEU N N 31 122.322 122.322 119.373 2.949 25543 7632 1 20 . 1 1 31 31 LEU HA H 31 4.288 4.288 4.003 0.285 25543 7633 1 20 . 1 1 31 31 LEU C C 31 176.006 176.006 176.296 -0.290 25543 7634 1 20 . 1 1 31 31 LEU CA C 31 55.698 55.698 55.863 -0.165 25543 7635 1 20 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.846 1.272 25543 7636 1 20 . 1 1 31 31 LEU H H 31 8.016 8.016 8.004 0.012 25543 7637 1 20 . 1 1 32 32 ILE N N 32 121.365 121.365 118.275 3.090 25543 7638 1 20 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.130 0.022 25543 7639 1 20 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.658 -1.314 25543 7640 1 20 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.069 0.460 25543 7641 1 20 . 1 1 32 32 ILE H H 32 8.050 8.050 7.608 0.442 25543 7642 1 20 . 1 1 33 33 SER N N 33 120.203 120.203 116.058 4.145 25543 7643 1 20 . 1 1 33 33 SER HA H 33 4.409 4.409 4.404 0.005 25543 7644 1 20 . 1 1 33 33 SER CA C 33 58.468 58.468 58.053 0.414 25543 7645 1 20 . 1 1 33 33 SER CB C 33 64.021 64.021 61.780 2.241 25543 7646 1 20 . 1 1 33 33 SER H H 33 8.391 8.391 8.235 0.156 25543 7647 1 20 . 1 1 34 34 ASP N N 34 123.136 123.136 123.184 -0.048 25543 7648 1 20 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.348 0.146 25543 7649 1 20 . 1 1 34 34 ASP C C 34 175.121 175.121 176.955 -1.834 25543 7650 1 20 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.158 -1.478 25543 7651 1 20 . 1 1 34 34 ASP CB C 34 40.678 40.678 41.082 -0.404 25543 7652 1 20 . 1 1 34 34 ASP H H 34 8.629 8.629 8.060 0.569 25543 7653 1 20 . 1 1 35 35 GLU N N 35 121.638 121.638 118.956 2.682 25543 7654 1 20 . 1 1 35 35 GLU HA H 35 4.108 4.108 4.064 0.044 25543 7655 1 20 . 1 1 35 35 GLU C C 35 174.886 174.886 178.322 -3.436 25543 7656 1 20 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.033 -0.448 25543 7657 1 20 . 1 1 35 35 GLU CB C 35 29.533 29.533 28.988 0.544 25543 7658 1 20 . 1 1 35 35 GLU H H 35 8.579 8.579 8.420 0.159 25543 7659 1 20 . 1 1 36 36 ALA N N 36 123.946 123.946 123.040 0.906 25543 7660 1 20 . 1 1 36 36 ALA HA H 36 4.229 4.229 4.006 0.223 25543 7661 1 20 . 1 1 36 36 ALA C C 36 177.012 177.012 180.046 -3.034 25543 7662 1 20 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.052 -1.244 25543 7663 1 20 . 1 1 36 36 ALA CB C 36 18.545 18.545 17.997 0.548 25543 7664 1 20 . 1 1 36 36 ALA H H 36 8.235 8.235 7.906 0.329 25543 7665 1 20 . 1 1 37 37 GLN N N 37 118.885 118.885 118.177 0.708 25543 7666 1 20 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.918 0.208 25543 7667 1 20 . 1 1 37 37 GLN C C 37 174.897 174.897 178.706 -3.809 25543 7668 1 20 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.598 -1.197 25543 7669 1 20 . 1 1 37 37 GLN CB C 37 28.781 28.781 28.108 0.673 25543 7670 1 20 . 1 1 37 37 GLN H H 37 8.295 8.295 7.655 0.640 25543 7671 1 20 . 1 1 38 38 ALA N N 38 124.163 124.163 122.780 1.383 25543 7672 1 20 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.918 0.256 25543 7673 1 20 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.223 -1.127 25543 7674 1 20 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.058 0.397 25543 7675 1 20 . 1 1 38 38 ALA H H 38 8.217 8.217 8.233 -0.016 25543 7676 1 20 . 1 1 39 39 ASP N N 39 119.226 119.226 119.439 -0.213 25543 7677 1 20 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.304 0.172 25543 7678 1 20 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.054 -1.210 25543 7679 1 20 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.701 0.278 25543 7680 1 20 . 1 1 39 39 ASP H H 39 8.145 8.145 7.934 0.211 25543 7681 1 20 . 1 1 40 40 LEU N N 40 121.976 121.976 119.784 2.192 25543 7682 1 20 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.823 0.242 25543 7683 1 20 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.077 -0.946 25543 7684 1 20 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.488 0.474 25543 7685 1 20 . 1 1 40 40 LEU H H 40 8.018 8.018 8.058 -0.040 25543 7686 1 20 . 1 1 41 41 ALA N N 41 121.547 121.547 121.955 -0.408 25543 7687 1 20 . 1 1 41 41 ALA HA H 41 4.100 4.100 3.950 0.150 25543 7688 1 20 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.234 -1.175 25543 7689 1 20 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.456 -0.261 25543 7690 1 20 . 1 1 41 41 ALA H H 41 8.076 8.076 8.017 0.059 25543 7691 1 20 . 1 1 42 42 LEU N N 42 119.599 119.599 116.774 2.825 25543 7692 1 20 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.096 0.101 25543 7693 1 20 . 1 1 42 42 LEU CA C 42 56.402 56.402 56.890 -0.488 25543 7694 1 20 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.836 0.190 25543 7695 1 20 . 1 1 42 42 LEU H H 42 7.832 7.832 8.083 -0.251 25543 7696 1 20 . 1 1 43 43 ARG N N 43 120.126 120.126 119.653 0.473 25543 7697 1 20 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.152 -0.031 25543 7698 1 20 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.276 -0.598 25543 7699 1 20 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.601 -0.407 25543 7700 1 20 . 1 1 43 43 ARG H H 43 8.047 8.047 8.059 -0.012 25543 7701 1 20 . 1 1 44 44 ARG N N 44 120.206 120.206 119.299 0.907 25543 7702 1 20 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.247 -0.008 25543 7703 1 20 . 1 1 44 44 ARG C C 44 173.165 173.165 175.652 -2.487 25543 7704 1 20 . 1 1 44 44 ARG CA C 44 57.111 57.111 56.277 0.834 25543 7705 1 20 . 1 1 44 44 ARG CB C 44 30.592 30.592 29.372 1.220 25543 7706 1 20 . 1 1 44 44 ARG H H 44 8.206 8.206 8.387 -0.181 25543 7707 1 20 . 1 1 45 45 SER N N 45 116.312 116.312 116.075 0.237 25543 7708 1 20 . 1 1 45 45 SER HA H 45 4.369 4.369 4.379 -0.010 25543 7709 1 20 . 1 1 45 45 SER C C 45 170.903 170.903 174.615 -3.712 25543 7710 1 20 . 1 1 45 45 SER CA C 45 59.151 59.151 58.147 1.004 25543 7711 1 20 . 1 1 45 45 SER CB C 45 63.539 63.539 62.460 1.079 25543 7712 1 20 . 1 1 45 45 SER H H 45 8.171 8.171 7.365 0.806 25543 7713 1 20 . 1 1 46 46 LEU N N 46 123.524 123.524 126.199 -2.675 25543 7714 1 20 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.181 0.109 25543 7715 1 20 . 1 1 46 46 LEU CA C 46 55.719 55.719 55.849 -0.130 25543 7716 1 20 . 1 1 46 46 LEU CB C 46 42.071 42.071 42.377 -0.306 25543 7717 1 20 . 1 1 46 46 LEU H H 46 8.168 8.168 7.697 0.471 25543 7718 1 20 . 1 1 47 47 ASP N N 47 119.853 119.853 116.732 3.121 25543 7719 1 20 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.232 0.305 25543 7720 1 20 . 1 1 47 47 ASP C C 47 173.143 173.143 176.467 -3.324 25543 7721 1 20 . 1 1 47 47 ASP CA C 47 54.739 54.739 53.935 0.804 25543 7722 1 20 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.191 0.746 25543 7723 1 20 . 1 1 47 47 ASP H H 47 8.154 8.154 8.158 -0.004 25543 7724 1 20 . 1 1 48 48 SER N N 48 114.867 114.867 115.946 -1.079 25543 7725 1 20 . 1 1 48 48 SER HA H 48 4.340 4.340 4.042 0.298 25543 7726 1 20 . 1 1 48 48 SER C C 48 170.816 170.816 174.965 -4.149 25543 7727 1 20 . 1 1 48 48 SER CA C 48 58.345 58.345 60.846 -2.501 25543 7728 1 20 . 1 1 48 48 SER CB C 48 63.835 63.835 63.169 0.666 25543 7729 1 20 . 1 1 48 48 SER H H 48 7.960 7.960 7.484 0.476 25543 7730 1 20 . 1 1 49 49 TYR N N 49 123.355 123.355 120.171 3.184 25543 7731 1 20 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.651 0.084 25543 7732 1 20 . 1 1 49 49 TYR CA C 49 56.141 56.141 54.175 1.966 25543 7733 1 20 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.045 1.099 25543 7734 1 20 . 1 1 49 49 TYR H H 49 8.102 8.102 7.582 0.520 25543 7735 1 20 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.453 -0.026 25543 7736 1 20 . 1 1 50 50 PRO C C 50 173.908 173.908 176.400 -2.492 25543 7737 1 20 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.608 0.437 25543 7738 1 20 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.719 -0.827 25543 7739 1 20 . 1 1 51 51 VAL N N 51 120.746 120.746 119.003 1.743 25543 7740 1 20 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.270 -0.182 25543 7741 1 20 . 1 1 51 51 VAL C C 51 173.504 173.504 175.622 -2.118 25543 7742 1 20 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.684 0.618 25543 7743 1 20 . 1 1 51 51 VAL CB C 51 32.866 32.866 33.058 -0.192 25543 7744 1 20 . 1 1 51 51 VAL H H 51 8.270 8.270 8.097 0.173 25543 7745 1 20 . 1 1 52 52 SER N N 52 119.837 119.837 123.069 -3.232 25543 7746 1 20 . 1 1 52 52 SER HA H 52 4.429 4.429 4.627 -0.198 25543 7747 1 20 . 1 1 52 52 SER C C 52 171.799 171.799 173.532 -1.733 25543 7748 1 20 . 1 1 52 52 SER CA C 52 58.088 58.088 57.886 0.202 25543 7749 1 20 . 1 1 52 52 SER CB C 52 63.948 63.948 64.181 -0.233 25543 7750 1 20 . 1 1 52 52 SER H H 52 8.493 8.493 8.341 0.152 25543 7751 1 20 . 1 1 53 53 LYS N N 53 123.948 123.948 122.097 1.851 25543 7752 1 20 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.409 -0.138 25543 7753 1 20 . 1 1 53 53 LYS C C 53 173.547 173.547 175.171 -1.624 25543 7754 1 20 . 1 1 53 53 LYS CA C 53 56.500 56.500 56.538 -0.038 25543 7755 1 20 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.571 -0.604 25543 7756 1 20 . 1 1 53 53 LYS H H 53 8.531 8.531 8.404 0.127 25543 7757 1 20 . 1 1 54 54 ASN N N 54 119.853 119.853 122.014 -2.161 25543 7758 1 20 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.880 -0.181 25543 7759 1 20 . 1 1 54 54 ASN C C 54 172.115 172.115 173.913 -1.798 25543 7760 1 20 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.481 -0.269 25543 7761 1 20 . 1 1 54 54 ASN CB C 54 38.801 38.801 39.378 -0.577 25543 7762 1 20 . 1 1 54 54 ASN H H 54 8.532 8.532 8.702 -0.170 25543 7763 1 20 . 1 1 55 55 ASP N N 55 121.271 121.271 118.130 3.141 25543 7764 1 20 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.769 -0.196 25543 7765 1 20 . 1 1 55 55 ASP C C 55 174.105 174.105 176.712 -2.607 25543 7766 1 20 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.570 -0.411 25543 7767 1 20 . 1 1 55 55 ASP CB C 55 41.040 41.040 42.101 -1.061 25543 7768 1 20 . 1 1 55 55 ASP H H 55 8.297 8.297 8.286 0.011 25543 7769 1 20 . 1 1 56 56 GLY N N 56 109.368 109.368 108.515 0.853 25543 7770 1 20 . 1 1 56 56 GLY C C 56 171.941 171.941 174.661 -2.720 25543 7771 1 20 . 1 1 56 56 GLY CA C 56 45.511 45.511 46.681 -1.170 25543 7772 1 20 . 1 1 56 56 GLY H H 56 8.497 8.497 8.476 0.021 25543 7773 1 20 . 1 1 57 57 THR N N 57 113.628 113.628 112.591 1.037 25543 7774 1 20 . 1 1 57 57 THR HA H 57 4.275 4.275 4.289 -0.014 25543 7775 1 20 . 1 1 57 57 THR C C 57 171.744 171.744 173.977 -2.233 25543 7776 1 20 . 1 1 57 57 THR CA C 57 62.240 62.240 61.215 1.025 25543 7777 1 20 . 1 1 57 57 THR CB C 57 69.941 69.941 69.510 0.432 25543 7778 1 20 . 1 1 57 57 THR H H 57 8.156 8.156 7.507 0.649 25543 7779 1 20 . 1 1 58 58 ARG N N 58 124.521 124.521 125.586 -1.065 25543 7780 1 20 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.643 -0.023 25543 7781 1 20 . 1 1 58 58 ARG C C 58 171.187 171.187 175.655 -4.468 25543 7782 1 20 . 1 1 58 58 ARG CA C 58 53.969 53.969 55.085 -1.116 25543 7783 1 20 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.392 -0.246 25543 7784 1 20 . 1 1 58 58 ARG H H 58 8.322 8.322 8.346 -0.024 25543 7785 1 20 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.507 -0.125 25543 7786 1 20 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.639 0.264 25543 7787 1 20 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.827 -0.634 25543 7788 1 20 . 1 1 60 60 LYS N N 60 122.142 122.142 118.846 3.296 25543 7789 1 20 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.542 -0.339 25543 7790 1 20 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.314 1.014 25543 7791 1 20 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.652 -0.847 25543 7792 1 20 . 1 1 60 60 LYS H H 60 8.513 8.513 8.213 0.300 25543 7793 1 20 . 1 1 61 61 MET N N 61 122.695 122.695 123.342 -0.647 25543 7794 1 20 . 1 1 61 61 MET HA H 61 4.598 4.598 4.830 -0.232 25543 7795 1 20 . 1 1 61 61 MET C C 61 173.077 173.077 177.061 -3.984 25543 7796 1 20 . 1 1 61 61 MET CA C 61 55.296 55.296 54.265 1.031 25543 7797 1 20 . 1 1 61 61 MET CB C 61 34.491 34.491 32.871 1.620 25543 7798 1 20 . 1 1 61 61 MET H H 61 8.446 8.446 8.531 -0.085 25543 7799 1 20 . 1 1 62 62 THR N N 62 115.170 115.170 117.894 -2.724 25543 7800 1 20 . 1 1 62 62 THR HA H 62 4.620 4.620 4.597 0.023 25543 7801 1 20 . 1 1 62 62 THR C C 62 170.881 170.881 174.487 -3.606 25543 7802 1 20 . 1 1 62 62 THR CA C 62 59.858 59.858 59.911 -0.053 25543 7803 1 20 . 1 1 62 62 THR CB C 62 68.752 68.752 69.747 -0.995 25543 7804 1 20 . 1 1 62 62 THR H H 62 8.437 8.437 8.817 -0.380 25543 7805 1 20 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.112 0.163 25543 7806 1 20 . 1 1 63 63 PRO CA C 63 65.374 65.374 66.058 -0.684 25543 7807 1 20 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.659 0.104 25543 7808 1 20 . 1 1 64 64 GLU N N 64 118.596 118.596 117.470 1.126 25543 7809 1 20 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.060 0.003 25543 7810 1 20 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.362 0.251 25543 7811 1 20 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.137 -0.120 25543 7812 1 20 . 1 1 64 64 GLU H H 64 8.813 8.813 7.882 0.931 25543 7813 1 20 . 1 1 65 65 GLN N N 65 121.250 121.250 118.816 2.434 25543 7814 1 20 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.951 0.095 25543 7815 1 20 . 1 1 65 65 GLN CA C 65 58.116 58.116 59.384 -1.268 25543 7816 1 20 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.689 0.023 25543 7817 1 20 . 1 1 65 65 GLN H H 65 7.964 7.964 7.501 0.463 25543 7818 1 20 . 1 1 66 66 MET N N 66 120.082 120.082 117.003 3.079 25543 7819 1 20 . 1 1 66 66 MET HA H 66 4.156 4.156 4.127 0.029 25543 7820 1 20 . 1 1 66 66 MET CA C 66 58.241 58.241 58.377 -0.136 25543 7821 1 20 . 1 1 66 66 MET CB C 66 32.558 32.558 31.434 1.124 25543 7822 1 20 . 1 1 66 66 MET H H 66 8.429 8.429 7.799 0.630 25543 7823 1 20 . 1 1 67 67 ALA N N 67 122.222 122.222 123.469 -1.247 25543 7824 1 20 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.968 0.189 25543 7825 1 20 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.089 -0.818 25543 7826 1 20 . 1 1 67 67 ALA CB C 67 18.279 18.279 17.883 0.396 25543 7827 1 20 . 1 1 67 67 ALA H H 67 8.106 8.106 8.103 0.003 25543 7828 1 20 . 1 1 68 68 LYS N N 68 120.031 120.031 118.870 1.161 25543 7829 1 20 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.930 0.197 25543 7830 1 20 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.514 -1.141 25543 7831 1 20 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.129 0.475 25543 7832 1 20 . 1 1 68 68 LYS H H 68 7.815 7.815 8.441 -0.626 25543 7833 1 20 . 1 1 69 69 GLU N N 69 119.896 119.896 119.462 0.434 25543 7834 1 20 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.092 0.031 25543 7835 1 20 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.349 -0.800 25543 7836 1 20 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.451 -0.042 25543 7837 1 20 . 1 1 69 69 GLU H H 69 8.149 8.149 8.243 -0.094 25543 7838 1 20 . 1 1 70 70 MET N N 70 119.261 119.261 119.359 -0.098 25543 7839 1 20 . 1 1 70 70 MET HA H 70 4.434 4.434 4.070 0.364 25543 7840 1 20 . 1 1 70 70 MET C C 70 174.607 174.607 178.796 -4.189 25543 7841 1 20 . 1 1 70 70 MET CA C 70 56.884 56.884 59.533 -2.649 25543 7842 1 20 . 1 1 70 70 MET CB C 70 32.159 32.159 32.425 -0.266 25543 7843 1 20 . 1 1 70 70 MET H H 70 8.215 8.215 8.693 -0.478 25543 7844 1 20 . 1 1 71 71 SER N N 71 115.618 115.618 114.233 1.385 25543 7845 1 20 . 1 1 71 71 SER HA H 71 4.265 4.265 4.207 0.058 25543 7846 1 20 . 1 1 71 71 SER CA C 71 60.463 60.463 61.761 -1.298 25543 7847 1 20 . 1 1 71 71 SER CB C 71 63.135 63.135 62.918 0.217 25543 7848 1 20 . 1 1 71 71 SER H H 71 8.161 8.161 8.415 -0.254 25543 7849 1 20 . 1 1 72 72 GLU N N 72 122.328 122.328 121.551 0.777 25543 7850 1 20 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.488 -0.375 25543 7851 1 20 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.724 -0.608 25543 7852 1 20 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.802 -0.375 25543 7853 1 20 . 1 1 72 72 GLU H H 72 8.247 8.247 7.892 0.355 25543 7854 1 20 . 1 1 73 73 PHE N N 73 120.564 120.564 119.696 0.868 25543 7855 1 20 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.270 0.130 25543 7856 1 20 . 1 1 73 73 PHE CA C 73 59.497 59.497 60.983 -1.486 25543 7857 1 20 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.804 -0.622 25543 7858 1 20 . 1 1 73 73 PHE H H 73 8.126 8.126 8.315 -0.189 25543 7859 1 20 . 1 1 74 74 LEU N N 74 120.761 120.761 117.796 2.965 25543 7860 1 20 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.261 -0.109 25543 7861 1 20 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.750 -0.860 25543 7862 1 20 . 1 1 74 74 LEU CB C 74 42.106 42.106 42.545 -0.439 25543 7863 1 20 . 1 1 74 74 LEU H H 74 8.127 8.127 8.518 -0.391 25543 7864 1 20 . 1 1 75 75 SER N N 75 115.178 115.178 111.227 3.951 25543 7865 1 20 . 1 1 75 75 SER HA H 75 4.357 4.357 4.533 -0.176 25543 7866 1 20 . 1 1 75 75 SER CA C 75 58.921 58.921 56.882 2.039 25543 7867 1 20 . 1 1 75 75 SER CB C 75 63.534 63.534 64.718 -1.184 25543 7868 1 20 . 1 1 75 75 SER H H 75 8.003 8.003 7.346 0.657 25543 7869 1 20 . 1 1 76 76 ARG N N 76 122.367 122.367 122.838 -0.471 25543 7870 1 20 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.014 0.300 25543 7871 1 20 . 1 1 76 76 ARG CA C 76 56.406 56.406 58.967 -2.561 25543 7872 1 20 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.363 0.469 25543 7873 1 20 . 1 1 76 76 ARG H H 76 7.985 7.985 8.564 -0.579 25543 7874 1 20 . 1 1 77 77 GLY N N 77 109.723 109.723 106.355 3.368 25543 7875 1 20 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.091 0.309 25543 7876 1 20 . 1 1 77 77 GLY H H 77 8.151 8.151 8.501 -0.350 25543 7877 1 20 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.288 0.077 25543 7878 1 20 . 1 1 78 78 PRO C C 78 173.976 173.976 176.634 -2.658 25543 7879 1 20 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.380 -0.154 25543 7880 1 20 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.714 0.314 25543 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 68 1.907 -0.941 1.671 25543 2 1 1 "Average Difference" HA 74 0.172 -0.066 0.160 25543 3 1 1 "Average Difference" C 46 3.169 3.028 0.944 25543 4 1 1 "Average Difference" CA 72 1.006 0.606 0.809 25543 5 1 1 "Average Difference" CB 70 0.656 -0.249 0.611 25543 6 1 1 "Average Difference" HN 68 0.337 -0.037 0.337 25543 7 1 2 "Average Difference" N 68 2.077 -1.112 1.767 25543 8 1 2 "Average Difference" HA 74 0.189 -0.114 0.152 25543 9 1 2 "Average Difference" C 46 3.166 3.024 0.950 25543 10 1 2 "Average Difference" CA 72 0.952 0.572 0.767 25543 11 1 2 "Average Difference" CB 70 0.703 -0.283 0.648 25543 12 1 2 "Average Difference" HN 68 0.345 -0.024 0.347 25543 13 1 3 "Average Difference" N 68 2.523 -1.179 2.247 25543 14 1 3 "Average Difference" HA 74 0.198 -0.094 0.175 25543 15 1 3 "Average Difference" C 46 3.144 3.007 0.928 25543 16 1 3 "Average Difference" CA 72 1.065 0.571 0.905 25543 17 1 3 "Average Difference" CB 70 0.690 -0.237 0.652 25543 18 1 3 "Average Difference" HN 68 0.386 0.035 0.387 25543 19 1 4 "Average Difference" N 68 2.148 -1.080 1.871 25543 20 1 4 "Average Difference" HA 74 0.180 -0.091 0.156 25543 21 1 4 "Average Difference" C 46 3.134 3.012 0.873 25543 22 1 4 "Average Difference" CA 72 0.911 0.564 0.721 25543 23 1 4 "Average Difference" CB 70 0.820 -0.214 0.798 25543 24 1 4 "Average Difference" HN 68 0.371 -0.003 0.374 25543 25 1 5 "Average Difference" N 68 2.105 -1.010 1.861 25543 26 1 5 "Average Difference" HA 74 0.169 -0.096 0.140 25543 27 1 5 "Average Difference" C 46 3.195 3.047 0.974 25543 28 1 5 "Average Difference" CA 72 0.899 0.462 0.776 25543 29 1 5 "Average Difference" CB 70 0.795 -0.235 0.765 25543 30 1 5 "Average Difference" HN 68 0.328 -0.015 0.330 25543 31 1 6 "Average Difference" N 68 1.807 -0.989 1.524 25543 32 1 6 "Average Difference" HA 74 0.184 -0.060 0.176 25543 33 1 6 "Average Difference" C 46 3.076 2.899 1.039 25543 34 1 6 "Average Difference" CA 72 0.993 0.578 0.813 25543 35 1 6 "Average Difference" CB 70 0.661 -0.164 0.645 25543 36 1 6 "Average Difference" HN 68 0.375 0.054 0.374 25543 37 1 7 "Average Difference" N 68 2.258 -0.965 2.057 25543 38 1 7 "Average Difference" HA 74 0.183 -0.108 0.149 25543 39 1 7 "Average Difference" C 46 3.099 2.958 0.936 25543 40 1 7 "Average Difference" CA 72 0.991 0.567 0.818 25543 41 1 7 "Average Difference" CB 70 0.743 -0.227 0.712 25543 42 1 7 "Average Difference" HN 68 0.399 -0.051 0.399 25543 43 1 8 "Average Difference" N 68 2.145 -0.814 1.999 25543 44 1 8 "Average Difference" HA 74 0.175 -0.078 0.158 25543 45 1 8 "Average Difference" C 46 3.150 3.005 0.957 25543 46 1 8 "Average Difference" CA 72 0.978 0.468 0.865 25543 47 1 8 "Average Difference" CB 70 0.716 -0.162 0.702 25543 48 1 8 "Average Difference" HN 68 0.322 -0.004 0.324 25543 49 1 9 "Average Difference" N 68 2.020 -0.794 1.871 25543 50 1 9 "Average Difference" HA 74 0.173 -0.112 0.133 25543 51 1 9 "Average Difference" C 46 3.171 3.032 0.939 25543 52 1 9 "Average Difference" CA 72 0.928 0.454 0.815 25543 53 1 9 "Average Difference" CB 70 0.707 -0.222 0.676 25543 54 1 9 "Average Difference" HN 68 0.372 -0.037 0.373 25543 55 1 10 "Average Difference" N 68 1.887 -0.952 1.641 25543 56 1 10 "Average Difference" HA 74 0.168 -0.093 0.141 25543 57 1 10 "Average Difference" C 46 3.204 3.052 0.984 25543 58 1 10 "Average Difference" CA 72 0.992 0.512 0.856 25543 59 1 10 "Average Difference" CB 70 0.650 -0.141 0.639 25543 60 1 10 "Average Difference" HN 68 0.337 -0.012 0.339 25543 61 1 11 "Average Difference" N 68 2.081 -1.165 1.736 25543 62 1 11 "Average Difference" HA 74 0.208 -0.125 0.167 25543 63 1 11 "Average Difference" C 46 3.181 3.046 0.925 25543 64 1 11 "Average Difference" CA 72 1.006 0.590 0.821 25543 65 1 11 "Average Difference" CB 70 0.756 -0.233 0.725 25543 66 1 11 "Average Difference" HN 68 0.391 -0.012 0.394 25543 67 1 12 "Average Difference" N 68 2.101 -1.264 1.691 25543 68 1 12 "Average Difference" HA 74 0.191 -0.110 0.157 25543 69 1 12 "Average Difference" C 46 3.136 2.971 1.015 25543 70 1 12 "Average Difference" CA 72 0.987 0.576 0.808 25543 71 1 12 "Average Difference" CB 70 0.687 -0.206 0.660 25543 72 1 12 "Average Difference" HN 68 0.324 -0.008 0.326 25543 73 1 13 "Average Difference" N 68 1.822 -0.682 1.702 25543 74 1 13 "Average Difference" HA 74 0.173 -0.084 0.152 25543 75 1 13 "Average Difference" C 46 3.127 2.977 0.966 25543 76 1 13 "Average Difference" CA 72 0.978 0.555 0.811 25543 77 1 13 "Average Difference" CB 70 0.660 -0.187 0.637 25543 78 1 13 "Average Difference" HN 68 0.322 0.010 0.324 25543 79 1 14 "Average Difference" N 68 2.128 -0.984 1.901 25543 80 1 14 "Average Difference" HA 74 0.168 -0.071 0.153 25543 81 1 14 "Average Difference" C 46 3.189 3.030 1.007 25543 82 1 14 "Average Difference" CA 72 0.921 0.432 0.819 25543 83 1 14 "Average Difference" CB 70 0.615 -0.161 0.598 25543 84 1 14 "Average Difference" HN 68 0.298 -0.004 0.301 25543 85 1 15 "Average Difference" N 68 2.024 -0.806 1.870 25543 86 1 15 "Average Difference" HA 74 0.192 -0.105 0.161 25543 87 1 15 "Average Difference" C 46 3.127 2.962 1.015 25543 88 1 15 "Average Difference" CA 72 1.025 0.610 0.830 25543 89 1 15 "Average Difference" CB 70 0.796 -0.286 0.748 25543 90 1 15 "Average Difference" HN 68 0.315 0.014 0.317 25543 91 1 16 "Average Difference" N 68 1.910 -1.075 1.590 25543 92 1 16 "Average Difference" HA 74 0.179 -0.089 0.156 25543 93 1 16 "Average Difference" C 46 3.138 2.973 1.014 25543 94 1 16 "Average Difference" CA 72 0.899 0.396 0.813 25543 95 1 16 "Average Difference" CB 70 0.661 -0.291 0.598 25543 96 1 16 "Average Difference" HN 68 0.405 -0.102 0.395 25543 97 1 17 "Average Difference" N 68 2.210 -0.886 2.040 25543 98 1 17 "Average Difference" HA 74 0.175 -0.087 0.154 25543 99 1 17 "Average Difference" C 46 3.216 3.067 0.978 25543 100 1 17 "Average Difference" CA 72 0.854 0.501 0.696 25543 101 1 17 "Average Difference" CB 70 0.682 -0.226 0.648 25543 102 1 17 "Average Difference" HN 68 0.344 -0.001 0.347 25543 103 1 18 "Average Difference" N 68 1.974 -1.007 1.710 25543 104 1 18 "Average Difference" HA 74 0.162 -0.082 0.140 25543 105 1 18 "Average Difference" C 46 3.212 3.072 0.948 25543 106 1 18 "Average Difference" CA 72 0.908 0.560 0.720 25543 107 1 18 "Average Difference" CB 70 0.649 -0.232 0.610 25543 108 1 18 "Average Difference" HN 68 0.310 -0.012 0.312 25543 109 1 19 "Average Difference" N 68 2.209 -1.239 1.842 25543 110 1 19 "Average Difference" HA 74 0.198 -0.090 0.178 25543 111 1 19 "Average Difference" C 46 3.203 3.029 1.055 25543 112 1 19 "Average Difference" CA 72 0.901 0.442 0.791 25543 113 1 19 "Average Difference" CB 70 0.651 -0.198 0.624 25543 114 1 19 "Average Difference" HN 68 0.360 -0.044 0.360 25543 115 1 20 "Average Difference" N 68 1.948 -1.065 1.643 25543 116 1 20 "Average Difference" HA 74 0.187 -0.082 0.169 25543 117 1 20 "Average Difference" C 46 3.109 2.937 1.032 25543 118 1 20 "Average Difference" CA 72 1.042 0.495 0.923 25543 119 1 20 "Average Difference" CB 70 0.662 -0.146 0.650 25543 120 1 20 "Average Difference" HN 68 0.356 -0.048 0.356 25543 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 25543 _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 7 7 GLN N N 7 120.283 120.283 121.413 -1.130 25543 2 1 . 1 1 7 7 GLN HA H 7 4.135 4.135 3.966 0.168 25543 3 1 . 1 1 7 7 GLN C C 7 174.902 174.902 177.960 -3.058 25543 4 1 . 1 1 7 7 GLN CA C 7 57.318 57.318 58.930 -1.612 25543 5 1 . 1 1 7 7 GLN CB C 7 28.700 28.700 27.936 0.764 25543 6 1 . 1 1 7 7 GLN H H 7 8.340 8.340 8.750 -0.410 25543 7 1 . 1 1 8 8 GLN N N 8 120.710 120.710 117.397 3.313 25543 8 1 . 1 1 8 8 GLN HA H 8 4.047 4.047 4.039 0.008 25543 9 1 . 1 1 8 8 GLN C C 8 174.564 174.564 178.157 -3.593 25543 10 1 . 1 1 8 8 GLN CA C 8 58.101 58.101 58.834 -0.733 25543 11 1 . 1 1 8 8 GLN CB C 8 28.494 28.494 27.730 0.764 25543 12 1 . 1 1 8 8 GLN H H 8 8.434 8.434 8.724 -0.290 25543 13 1 . 1 1 9 9 ALA N N 9 122.740 122.740 122.673 0.067 25543 14 1 . 1 1 9 9 ALA HA H 9 4.193 4.193 4.156 0.037 25543 15 1 . 1 1 9 9 ALA C C 9 177.504 177.504 179.507 -2.003 25543 16 1 . 1 1 9 9 ALA CA C 9 54.582 54.582 54.856 -0.274 25543 17 1 . 1 1 9 9 ALA CB C 9 18.131 18.131 18.101 0.030 25543 18 1 . 1 1 9 9 ALA H H 9 8.144 8.144 7.629 0.515 25543 19 1 . 1 1 10 10 VAL N N 10 120.344 120.344 119.219 1.125 25543 20 1 . 1 1 10 10 VAL HA H 10 3.795 3.795 3.667 0.128 25543 21 1 . 1 1 10 10 VAL C C 10 175.143 175.143 177.875 -2.732 25543 22 1 . 1 1 10 10 VAL CA C 10 65.426 65.426 65.493 -0.067 25543 23 1 . 1 1 10 10 VAL CB C 10 32.068 32.068 31.617 0.451 25543 24 1 . 1 1 10 10 VAL H H 10 7.854 7.854 7.886 -0.032 25543 25 1 . 1 1 11 11 LEU N N 11 121.896 121.896 120.560 1.336 25543 26 1 . 1 1 11 11 LEU HA H 11 4.135 4.135 3.932 0.203 25543 27 1 . 1 1 11 11 LEU C C 11 177.143 177.143 178.804 -1.661 25543 28 1 . 1 1 11 11 LEU CA C 11 57.690 57.690 58.368 -0.679 25543 29 1 . 1 1 11 11 LEU CB C 11 41.643 41.643 41.507 0.136 25543 30 1 . 1 1 11 11 LEU H H 11 7.936 7.936 8.796 -0.860 25543 31 1 . 1 1 12 12 GLU N N 12 120.197 120.197 118.134 2.063 25543 32 1 . 1 1 12 12 GLU HA H 12 4.140 4.140 3.879 0.261 25543 33 1 . 1 1 12 12 GLU C C 12 175.602 175.602 179.204 -3.603 25543 34 1 . 1 1 12 12 GLU CA C 12 58.506 58.506 59.517 -1.011 25543 35 1 . 1 1 12 12 GLU CB C 12 29.257 29.257 29.079 0.178 25543 36 1 . 1 1 12 12 GLU H H 12 8.310 8.310 8.009 0.301 25543 37 1 . 1 1 13 13 GLN N N 13 120.843 120.843 119.531 1.312 25543 38 1 . 1 1 13 13 GLN HA H 13 3.918 3.918 4.046 -0.128 25543 39 1 . 1 1 13 13 GLN C C 13 174.656 174.656 178.434 -3.778 25543 40 1 . 1 1 13 13 GLN CA C 13 58.421 58.421 58.682 -0.261 25543 41 1 . 1 1 13 13 GLN CB C 13 28.104 28.104 28.357 -0.253 25543 42 1 . 1 1 13 13 GLN H H 13 8.073 8.073 8.400 -0.327 25543 43 1 . 1 1 14 14 GLU N N 14 119.589 119.589 119.942 -0.353 25543 44 1 . 1 1 14 14 GLU HA H 14 4.098 4.098 3.988 0.110 25543 45 1 . 1 1 14 14 GLU C C 14 176.412 176.412 179.089 -2.677 25543 46 1 . 1 1 14 14 GLU CA C 14 59.276 59.276 59.540 -0.264 25543 47 1 . 1 1 14 14 GLU CB C 14 29.319 29.319 29.371 -0.052 25543 48 1 . 1 1 14 14 GLU H H 14 8.340 8.340 8.208 0.132 25543 49 1 . 1 1 15 15 ARG N N 15 120.353 120.353 118.877 1.476 25543 50 1 . 1 1 15 15 ARG HA H 15 3.980 3.980 3.968 0.012 25543 51 1 . 1 1 15 15 ARG C C 15 175.896 175.896 178.704 -2.808 25543 52 1 . 1 1 15 15 ARG CA C 15 59.503 59.503 59.550 -0.047 25543 53 1 . 1 1 15 15 ARG CB C 15 29.834 29.834 29.960 -0.126 25543 54 1 . 1 1 15 15 ARG H H 15 7.995 7.995 8.405 -0.410 25543 55 1 . 1 1 16 16 ARG N N 16 120.490 120.490 119.497 0.993 25543 56 1 . 1 1 16 16 ARG HA H 16 4.034 4.034 4.066 -0.032 25543 57 1 . 1 1 16 16 ARG C C 16 176.476 176.476 178.224 -1.748 25543 58 1 . 1 1 16 16 ARG CA C 16 59.368 59.368 59.530 -0.162 25543 59 1 . 1 1 16 16 ARG CB C 16 29.832 29.832 29.950 -0.118 25543 60 1 . 1 1 16 16 ARG H H 16 8.169 8.169 8.239 -0.070 25543 61 1 . 1 1 17 17 ASP N N 17 120.965 120.965 119.277 1.688 25543 62 1 . 1 1 17 17 ASP HA H 17 4.439 4.439 4.295 0.144 25543 63 1 . 1 1 17 17 ASP C C 17 176.291 176.291 178.714 -2.423 25543 64 1 . 1 1 17 17 ASP CA C 17 57.252 57.252 57.532 -0.280 25543 65 1 . 1 1 17 17 ASP CB C 17 39.909 39.909 40.740 -0.831 25543 66 1 . 1 1 17 17 ASP H H 17 8.684 8.684 8.299 0.385 25543 67 1 . 1 1 18 18 ARG N N 18 122.128 122.128 118.950 3.178 25543 68 1 . 1 1 18 18 ARG HA H 18 4.131 4.131 3.992 0.139 25543 69 1 . 1 1 18 18 ARG C C 18 175.897 175.897 178.900 -3.003 25543 70 1 . 1 1 18 18 ARG CA C 18 59.153 59.153 59.252 -0.099 25543 71 1 . 1 1 18 18 ARG CB C 18 30.127 30.127 30.088 0.039 25543 72 1 . 1 1 18 18 ARG H H 18 8.183 8.183 8.207 -0.024 25543 73 1 . 1 1 19 19 GLU N N 19 120.044 120.044 120.049 -0.005 25543 74 1 . 1 1 19 19 GLU HA H 19 4.017 4.017 3.982 0.035 25543 75 1 . 1 1 19 19 GLU C C 19 172.902 172.902 179.174 -6.272 25543 76 1 . 1 1 19 19 GLU CA C 19 59.189 59.189 59.486 -0.297 25543 77 1 . 1 1 19 19 GLU CB C 19 29.304 29.304 29.405 -0.101 25543 78 1 . 1 1 19 19 GLU H H 19 8.207 8.207 8.115 0.092 25543 79 1 . 1 1 20 20 LEU N N 20 121.172 121.172 120.164 1.008 25543 80 1 . 1 1 20 20 LEU HA H 20 4.132 4.132 3.940 0.192 25543 81 1 . 1 1 20 20 LEU C C 20 174.935 174.935 178.988 -4.053 25543 82 1 . 1 1 20 20 LEU CA C 20 57.876 57.876 58.172 -0.296 25543 83 1 . 1 1 20 20 LEU CB C 20 41.670 41.670 41.104 0.566 25543 84 1 . 1 1 20 20 LEU H H 20 8.102 8.102 8.308 -0.206 25543 85 1 . 1 1 21 21 ALA N N 21 120.754 120.754 121.360 -0.606 25543 86 1 . 1 1 21 21 ALA HA H 21 4.087 4.087 3.917 0.170 25543 87 1 . 1 1 21 21 ALA C C 21 177.689 177.689 179.996 -2.307 25543 88 1 . 1 1 21 21 ALA CA C 21 54.670 54.670 55.029 -0.359 25543 89 1 . 1 1 21 21 ALA CB C 21 17.987 17.987 18.138 -0.151 25543 90 1 . 1 1 21 21 ALA H H 21 7.864 7.864 8.008 -0.144 25543 91 1 . 1 1 22 22 LEU N N 22 119.357 119.357 119.184 0.173 25543 92 1 . 1 1 22 22 LEU HA H 22 4.177 4.177 4.011 0.166 25543 93 1 . 1 1 22 22 LEU C C 22 175.842 175.842 178.818 -2.976 25543 94 1 . 1 1 22 22 LEU CA C 22 57.057 57.057 58.030 -0.973 25543 95 1 . 1 1 22 22 LEU CB C 22 41.963 41.963 41.926 0.037 25543 96 1 . 1 1 22 22 LEU H H 22 7.901 7.901 8.270 -0.369 25543 97 1 . 1 1 23 23 ARG N N 23 120.416 120.416 119.562 0.854 25543 98 1 . 1 1 23 23 ARG HA H 23 4.151 4.151 3.940 0.211 25543 99 1 . 1 1 23 23 ARG C C 23 176.236 176.236 179.074 -2.838 25543 100 1 . 1 1 23 23 ARG CA C 23 58.534 58.534 59.986 -1.452 25543 101 1 . 1 1 23 23 ARG CB C 23 30.157 30.157 30.167 -0.010 25543 102 1 . 1 1 23 23 ARG H H 23 7.890 7.890 8.034 -0.144 25543 103 1 . 1 1 24 24 ILE N N 24 121.088 121.088 119.412 1.676 25543 104 1 . 1 1 24 24 ILE HA H 24 3.877 3.877 3.666 0.211 25543 105 1 . 1 1 24 24 ILE C C 24 174.946 174.946 177.723 -2.777 25543 106 1 . 1 1 24 24 ILE CA C 24 63.614 63.614 64.997 -1.383 25543 107 1 . 1 1 24 24 ILE CB C 24 38.215 38.215 37.471 0.744 25543 108 1 . 1 1 24 24 ILE H H 24 8.254 8.254 8.395 -0.141 25543 109 1 . 1 1 25 25 ALA N N 25 124.216 124.216 122.546 1.670 25543 110 1 . 1 1 25 25 ALA HA H 25 4.222 4.222 3.926 0.296 25543 111 1 . 1 1 25 25 ALA C C 25 176.883 176.883 179.859 -2.976 25543 112 1 . 1 1 25 25 ALA CA C 25 54.073 54.073 55.303 -1.231 25543 113 1 . 1 1 25 25 ALA CB C 25 18.477 18.477 18.122 0.355 25543 114 1 . 1 1 25 25 ALA H H 25 8.053 8.053 8.123 -0.070 25543 115 1 . 1 1 26 26 GLN N N 26 118.617 118.617 116.767 1.850 25543 116 1 . 1 1 26 26 GLN HA H 26 4.203 4.203 4.045 0.158 25543 117 1 . 1 1 26 26 GLN C C 26 174.564 174.564 178.656 -4.092 25543 118 1 . 1 1 26 26 GLN CA C 26 57.219 57.219 58.370 -1.151 25543 119 1 . 1 1 26 26 GLN CB C 26 28.869 28.869 28.370 0.499 25543 120 1 . 1 1 26 26 GLN H H 26 8.269 8.269 8.452 -0.183 25543 121 1 . 1 1 27 27 SER N N 27 116.340 116.340 116.682 -0.342 25543 122 1 . 1 1 27 27 SER HA H 27 4.350 4.350 4.197 0.153 25543 123 1 . 1 1 27 27 SER C C 27 172.902 172.902 176.389 -3.487 25543 124 1 . 1 1 27 27 SER CA C 27 59.941 59.941 61.709 -1.768 25543 125 1 . 1 1 27 27 SER CB C 27 63.458 63.458 63.057 0.401 25543 126 1 . 1 1 27 27 SER H H 27 8.195 8.195 8.259 -0.064 25543 127 1 . 1 1 28 28 GLU N N 28 122.168 122.168 121.354 0.814 25543 128 1 . 1 1 28 28 GLU HA H 28 4.167 4.167 4.073 0.094 25543 129 1 . 1 1 28 28 GLU C C 28 174.568 174.568 178.301 -3.733 25543 130 1 . 1 1 28 28 GLU CA C 28 57.876 57.876 58.835 -0.959 25543 131 1 . 1 1 28 28 GLU CB C 28 29.960 29.960 29.251 0.709 25543 132 1 . 1 1 28 28 GLU H H 28 8.316 8.316 8.443 -0.127 25543 133 1 . 1 1 29 29 ALA N N 29 122.950 122.950 121.962 0.988 25543 134 1 . 1 1 29 29 ALA HA H 29 4.203 4.203 4.187 0.016 25543 135 1 . 1 1 29 29 ALA C C 29 176.938 176.938 179.299 -2.361 25543 136 1 . 1 1 29 29 ALA CA C 29 53.357 53.357 54.198 -0.842 25543 137 1 . 1 1 29 29 ALA CB C 29 18.853 18.853 19.050 -0.197 25543 138 1 . 1 1 29 29 ALA H H 29 8.029 8.029 7.966 0.063 25543 139 1 . 1 1 30 30 GLU N N 30 119.092 119.092 116.652 2.440 25543 140 1 . 1 1 30 30 GLU HA H 30 4.154 4.154 4.256 -0.102 25543 141 1 . 1 1 30 30 GLU C C 30 174.531 174.531 177.249 -2.718 25543 142 1 . 1 1 30 30 GLU CA C 30 57.089 57.089 56.456 0.633 25543 143 1 . 1 1 30 30 GLU CB C 30 29.941 29.941 30.464 -0.523 25543 144 1 . 1 1 30 30 GLU H H 30 8.104 8.104 7.770 0.334 25543 145 1 . 1 1 31 31 LEU N N 31 122.322 122.322 119.089 3.233 25543 146 1 . 1 1 31 31 LEU HA H 31 4.288 4.288 3.998 0.290 25543 147 1 . 1 1 31 31 LEU C C 31 176.006 176.006 176.391 -0.385 25543 148 1 . 1 1 31 31 LEU CA C 31 55.698 55.698 56.050 -0.352 25543 149 1 . 1 1 31 31 LEU CB C 31 42.118 42.118 40.354 1.764 25543 150 1 . 1 1 31 31 LEU H H 31 8.016 8.016 8.308 -0.292 25543 151 1 . 1 1 32 32 ILE N N 32 121.365 121.365 117.976 3.389 25543 152 1 . 1 1 32 32 ILE HA H 32 4.152 4.152 4.084 0.068 25543 153 1 . 1 1 32 32 ILE CA C 32 61.344 61.344 62.187 -0.843 25543 154 1 . 1 1 32 32 ILE CB C 32 38.529 38.529 38.547 -0.018 25543 155 1 . 1 1 32 32 ILE H H 32 8.050 8.050 7.742 0.308 25543 156 1 . 1 1 33 33 SER N N 33 120.203 120.203 116.295 3.908 25543 157 1 . 1 1 33 33 SER HA H 33 4.409 4.409 4.329 0.080 25543 158 1 . 1 1 33 33 SER CA C 33 58.468 58.468 58.366 0.102 25543 159 1 . 1 1 33 33 SER CB C 33 64.021 64.021 61.801 2.221 25543 160 1 . 1 1 33 33 SER H H 33 8.391 8.391 8.275 0.116 25543 161 1 . 1 1 34 34 ASP N N 34 123.136 123.136 122.675 0.461 25543 162 1 . 1 1 34 34 ASP HA H 34 4.494 4.494 4.285 0.209 25543 163 1 . 1 1 34 34 ASP C C 34 175.121 175.121 177.475 -2.354 25543 164 1 . 1 1 34 34 ASP CA C 34 55.680 55.680 57.108 -1.428 25543 165 1 . 1 1 34 34 ASP CB C 34 40.678 40.678 40.890 -0.212 25543 166 1 . 1 1 34 34 ASP H H 34 8.629 8.629 8.475 0.154 25543 167 1 . 1 1 35 35 GLU N N 35 121.638 121.638 119.897 1.741 25543 168 1 . 1 1 35 35 GLU HA H 35 4.108 4.108 3.969 0.138 25543 169 1 . 1 1 35 35 GLU C C 35 174.886 174.886 178.138 -3.252 25543 170 1 . 1 1 35 35 GLU CA C 35 58.585 58.585 59.299 -0.714 25543 171 1 . 1 1 35 35 GLU CB C 35 29.533 29.533 29.151 0.382 25543 172 1 . 1 1 35 35 GLU H H 35 8.579 8.579 8.418 0.161 25543 173 1 . 1 1 36 36 ALA N N 36 123.946 123.946 122.413 1.533 25543 174 1 . 1 1 36 36 ALA HA H 36 4.229 4.229 3.974 0.255 25543 175 1 . 1 1 36 36 ALA C C 36 177.012 177.012 179.970 -2.958 25543 176 1 . 1 1 36 36 ALA CA C 36 53.808 53.808 55.212 -1.404 25543 177 1 . 1 1 36 36 ALA CB C 36 18.545 18.545 18.023 0.521 25543 178 1 . 1 1 36 36 ALA H H 36 8.235 8.235 7.936 0.299 25543 179 1 . 1 1 37 37 GLN N N 37 118.885 118.885 118.261 0.624 25543 180 1 . 1 1 37 37 GLN HA H 37 4.126 4.126 3.933 0.193 25543 181 1 . 1 1 37 37 GLN C C 37 174.897 174.897 178.609 -3.712 25543 182 1 . 1 1 37 37 GLN CA C 37 57.401 57.401 58.451 -1.050 25543 183 1 . 1 1 37 37 GLN CB C 37 28.781 28.781 27.972 0.809 25543 184 1 . 1 1 37 37 GLN H H 37 8.295 8.295 7.760 0.535 25543 185 1 . 1 1 38 38 ALA N N 38 124.163 124.163 122.671 1.492 25543 186 1 . 1 1 38 38 ALA HA H 38 4.174 4.174 3.918 0.256 25543 187 1 . 1 1 38 38 ALA CA C 38 54.096 54.096 55.192 -1.096 25543 188 1 . 1 1 38 38 ALA CB C 38 18.456 18.456 18.150 0.306 25543 189 1 . 1 1 38 38 ALA H H 38 8.217 8.217 8.362 -0.145 25543 190 1 . 1 1 39 39 ASP N N 39 119.226 119.226 119.805 -0.579 25543 191 1 . 1 1 39 39 ASP HA H 39 4.476 4.476 4.338 0.138 25543 192 1 . 1 1 39 39 ASP CA C 39 55.844 55.844 57.359 -1.515 25543 193 1 . 1 1 39 39 ASP CB C 39 40.979 40.979 40.576 0.402 25543 194 1 . 1 1 39 39 ASP H H 39 8.145 8.145 8.072 0.073 25543 195 1 . 1 1 40 40 LEU N N 40 121.976 121.976 120.103 1.873 25543 196 1 . 1 1 40 40 LEU HA H 40 4.065 4.065 3.873 0.192 25543 197 1 . 1 1 40 40 LEU CA C 40 57.130 57.130 58.054 -0.924 25543 198 1 . 1 1 40 40 LEU CB C 40 41.962 41.962 41.542 0.420 25543 199 1 . 1 1 40 40 LEU H H 40 8.018 8.018 8.278 -0.260 25543 200 1 . 1 1 41 41 ALA N N 41 121.547 121.547 121.816 -0.269 25543 201 1 . 1 1 41 41 ALA HA H 41 4.100 4.100 4.007 0.093 25543 202 1 . 1 1 41 41 ALA CA C 41 54.059 54.059 55.112 -1.053 25543 203 1 . 1 1 41 41 ALA CB C 41 18.196 18.196 18.357 -0.161 25543 204 1 . 1 1 41 41 ALA H H 41 8.076 8.076 8.119 -0.043 25543 205 1 . 1 1 42 42 LEU N N 42 119.599 119.599 117.949 1.650 25543 206 1 . 1 1 42 42 LEU HA H 42 4.197 4.197 4.019 0.178 25543 207 1 . 1 1 42 42 LEU CA C 42 56.402 56.402 57.403 -1.001 25543 208 1 . 1 1 42 42 LEU CB C 42 42.026 42.026 41.755 0.271 25543 209 1 . 1 1 42 42 LEU H H 42 7.832 7.832 8.109 -0.277 25543 210 1 . 1 1 43 43 ARG N N 43 120.126 120.126 118.318 1.808 25543 211 1 . 1 1 43 43 ARG HA H 43 4.121 4.121 4.059 0.061 25543 212 1 . 1 1 43 43 ARG CA C 43 57.678 57.678 58.592 -0.914 25543 213 1 . 1 1 43 43 ARG CB C 43 30.194 30.194 30.550 -0.356 25543 214 1 . 1 1 43 43 ARG H H 43 8.047 8.047 8.200 -0.153 25543 215 1 . 1 1 44 44 ARG N N 44 120.206 120.206 118.211 1.995 25543 216 1 . 1 1 44 44 ARG HA H 44 4.239 4.239 4.191 0.048 25543 217 1 . 1 1 44 44 ARG C C 44 173.165 173.165 176.946 -3.781 25543 218 1 . 1 1 44 44 ARG CA C 44 57.111 57.111 57.545 -0.434 25543 219 1 . 1 1 44 44 ARG CB C 44 30.592 30.592 30.237 0.355 25543 220 1 . 1 1 44 44 ARG H H 44 8.206 8.206 8.114 0.092 25543 221 1 . 1 1 45 45 SER N N 45 116.312 116.312 115.923 0.389 25543 222 1 . 1 1 45 45 SER HA H 45 4.369 4.369 4.393 -0.024 25543 223 1 . 1 1 45 45 SER C C 45 170.903 170.903 175.229 -4.326 25543 224 1 . 1 1 45 45 SER CA C 45 59.151 59.151 58.382 0.769 25543 225 1 . 1 1 45 45 SER CB C 45 63.539 63.539 63.177 0.362 25543 226 1 . 1 1 45 45 SER H H 45 8.171 8.171 7.741 0.430 25543 227 1 . 1 1 46 46 LEU N N 46 123.524 123.524 125.439 -1.915 25543 228 1 . 1 1 46 46 LEU HA H 46 4.290 4.290 4.186 0.104 25543 229 1 . 1 1 46 46 LEU CA C 46 55.719 55.719 56.522 -0.803 25543 230 1 . 1 1 46 46 LEU CB C 46 42.071 42.071 41.792 0.279 25543 231 1 . 1 1 46 46 LEU H H 46 8.168 8.168 8.196 -0.028 25543 232 1 . 1 1 47 47 ASP N N 47 119.853 119.853 117.154 2.699 25543 233 1 . 1 1 47 47 ASP HA H 47 4.537 4.537 4.458 0.079 25543 234 1 . 1 1 47 47 ASP C C 47 173.143 173.143 176.649 -3.506 25543 235 1 . 1 1 47 47 ASP CA C 47 54.739 54.739 55.029 -0.290 25543 236 1 . 1 1 47 47 ASP CB C 47 40.937 40.937 40.276 0.661 25543 237 1 . 1 1 47 47 ASP H H 47 8.154 8.154 8.167 -0.013 25543 238 1 . 1 1 48 48 SER N N 48 114.867 114.867 115.315 -0.448 25543 239 1 . 1 1 48 48 SER HA H 48 4.340 4.340 4.200 0.140 25543 240 1 . 1 1 48 48 SER C C 48 170.816 170.816 174.717 -3.901 25543 241 1 . 1 1 48 48 SER CA C 48 58.345 58.345 59.435 -1.090 25543 242 1 . 1 1 48 48 SER CB C 48 63.835 63.835 63.153 0.682 25543 243 1 . 1 1 48 48 SER H H 48 7.960 7.960 7.566 0.394 25543 244 1 . 1 1 49 49 TYR N N 49 123.355 123.355 122.031 1.324 25543 245 1 . 1 1 49 49 TYR HA H 49 4.735 4.735 4.602 0.133 25543 246 1 . 1 1 49 49 TYR CA C 49 56.141 56.141 55.628 0.513 25543 247 1 . 1 1 49 49 TYR CB C 49 38.144 38.144 37.496 0.648 25543 248 1 . 1 1 49 49 TYR H H 49 8.102 8.102 7.472 0.630 25543 249 1 . 1 1 50 50 PRO HA H 50 4.427 4.427 4.402 0.025 25543 250 1 . 1 1 50 50 PRO C C 50 173.908 173.908 176.109 -2.201 25543 251 1 . 1 1 50 50 PRO CA C 50 63.045 63.045 62.871 0.174 25543 252 1 . 1 1 50 50 PRO CB C 50 31.892 31.892 32.276 -0.384 25543 253 1 . 1 1 51 51 VAL N N 51 120.746 120.746 119.743 1.003 25543 254 1 . 1 1 51 51 VAL HA H 51 4.088 4.088 4.279 -0.191 25543 255 1 . 1 1 51 51 VAL C C 51 173.504 173.504 175.800 -2.296 25543 256 1 . 1 1 51 51 VAL CA C 51 62.302 62.302 61.952 0.350 25543 257 1 . 1 1 51 51 VAL CB C 51 32.866 32.866 32.634 0.232 25543 258 1 . 1 1 51 51 VAL H H 51 8.270 8.270 8.116 0.154 25543 259 1 . 1 1 52 52 SER N N 52 119.837 119.837 121.727 -1.890 25543 260 1 . 1 1 52 52 SER HA H 52 4.429 4.429 4.614 -0.185 25543 261 1 . 1 1 52 52 SER C C 52 171.799 171.799 173.892 -2.093 25543 262 1 . 1 1 52 52 SER CA C 52 58.088 58.088 57.956 0.132 25543 263 1 . 1 1 52 52 SER CB C 52 63.948 63.948 63.989 -0.041 25543 264 1 . 1 1 52 52 SER H H 52 8.493 8.493 8.403 0.090 25543 265 1 . 1 1 53 53 LYS N N 53 123.948 123.948 124.511 -0.563 25543 266 1 . 1 1 53 53 LYS HA H 53 4.271 4.271 4.397 -0.126 25543 267 1 . 1 1 53 53 LYS C C 53 173.547 173.547 175.880 -2.333 25543 268 1 . 1 1 53 53 LYS CA C 53 56.500 56.500 55.970 0.531 25543 269 1 . 1 1 53 53 LYS CB C 53 32.967 32.967 33.408 -0.442 25543 270 1 . 1 1 53 53 LYS H H 53 8.531 8.531 8.433 0.098 25543 271 1 . 1 1 54 54 ASN N N 54 119.853 119.853 120.950 -1.097 25543 272 1 . 1 1 54 54 ASN HA H 54 4.699 4.699 4.593 0.106 25543 273 1 . 1 1 54 54 ASN C C 54 172.115 172.115 174.632 -2.517 25543 274 1 . 1 1 54 54 ASN CA C 54 53.212 53.212 53.742 -0.530 25543 275 1 . 1 1 54 54 ASN CB C 54 38.801 38.801 38.299 0.502 25543 276 1 . 1 1 54 54 ASN H H 54 8.532 8.532 8.755 -0.223 25543 277 1 . 1 1 55 55 ASP N N 55 121.271 121.271 120.354 0.917 25543 278 1 . 1 1 55 55 ASP HA H 55 4.574 4.574 4.570 0.004 25543 279 1 . 1 1 55 55 ASP C C 55 174.105 174.105 176.916 -2.811 25543 280 1 . 1 1 55 55 ASP CA C 55 54.159 54.159 54.550 -0.391 25543 281 1 . 1 1 55 55 ASP CB C 55 41.040 41.040 40.731 0.309 25543 282 1 . 1 1 55 55 ASP H H 55 8.297 8.297 8.292 0.005 25543 283 1 . 1 1 56 56 GLY N N 56 109.368 109.368 107.892 1.476 25543 284 1 . 1 1 56 56 GLY C C 56 171.941 171.941 174.527 -2.586 25543 285 1 . 1 1 56 56 GLY CA C 56 45.511 45.511 45.465 0.046 25543 286 1 . 1 1 56 56 GLY H H 56 8.497 8.497 8.261 0.236 25543 287 1 . 1 1 57 57 THR N N 57 113.628 113.628 113.404 0.224 25543 288 1 . 1 1 57 57 THR HA H 57 4.275 4.275 4.190 0.085 25543 289 1 . 1 1 57 57 THR C C 57 171.744 171.744 174.225 -2.481 25543 290 1 . 1 1 57 57 THR CA C 57 62.240 62.240 62.031 0.209 25543 291 1 . 1 1 57 57 THR CB C 57 69.941 69.941 68.498 1.443 25543 292 1 . 1 1 57 57 THR H H 57 8.156 8.156 7.946 0.210 25543 293 1 . 1 1 58 58 ARG N N 58 124.521 124.521 125.043 -0.522 25543 294 1 . 1 1 58 58 ARG HA H 58 4.620 4.620 4.625 -0.005 25543 295 1 . 1 1 58 58 ARG C C 58 171.187 171.187 175.223 -4.036 25543 296 1 . 1 1 58 58 ARG CA C 58 53.969 53.969 54.478 -0.509 25543 297 1 . 1 1 58 58 ARG CB C 58 30.146 30.146 30.218 -0.072 25543 298 1 . 1 1 58 58 ARG H H 58 8.322 8.322 8.090 0.232 25543 299 1 . 1 1 59 59 PRO HA H 59 4.382 4.382 4.449 -0.067 25543 300 1 . 1 1 59 59 PRO CA C 59 62.903 62.903 62.773 0.130 25543 301 1 . 1 1 59 59 PRO CB C 59 32.193 32.193 32.510 -0.317 25543 302 1 . 1 1 60 60 LYS N N 60 122.142 122.142 119.083 3.059 25543 303 1 . 1 1 60 60 LYS HA H 60 4.203 4.203 4.403 -0.200 25543 304 1 . 1 1 60 60 LYS CA C 60 56.328 56.328 55.939 0.390 25543 305 1 . 1 1 60 60 LYS CB C 60 32.805 32.805 33.383 -0.578 25543 306 1 . 1 1 60 60 LYS H H 60 8.513 8.513 8.290 0.223 25543 307 1 . 1 1 61 61 MET N N 61 122.695 122.695 122.388 0.307 25543 308 1 . 1 1 61 61 MET HA H 61 4.598 4.598 4.645 -0.047 25543 309 1 . 1 1 61 61 MET C C 61 173.077 173.077 176.018 -2.941 25543 310 1 . 1 1 61 61 MET CA C 61 55.296 55.296 54.475 0.821 25543 311 1 . 1 1 61 61 MET CB C 61 34.491 34.491 33.267 1.224 25543 312 1 . 1 1 61 61 MET H H 61 8.446 8.446 8.262 0.184 25543 313 1 . 1 1 62 62 THR N N 62 115.170 115.170 116.443 -1.273 25543 314 1 . 1 1 62 62 THR HA H 62 4.620 4.620 4.630 -0.010 25543 315 1 . 1 1 62 62 THR C C 62 170.881 170.881 174.285 -3.404 25543 316 1 . 1 1 62 62 THR CA C 62 59.858 59.858 59.369 0.489 25543 317 1 . 1 1 62 62 THR CB C 62 68.752 68.752 69.433 -0.681 25543 318 1 . 1 1 62 62 THR H H 62 8.437 8.437 8.306 0.131 25543 319 1 . 1 1 63 63 PRO HA H 63 4.274 4.274 4.073 0.201 25543 320 1 . 1 1 63 63 PRO CA C 63 65.374 65.374 65.848 -0.474 25543 321 1 . 1 1 63 63 PRO CB C 63 31.763 31.763 31.790 -0.027 25543 322 1 . 1 1 64 64 GLU N N 64 118.596 118.596 117.128 1.468 25543 323 1 . 1 1 64 64 GLU HA H 64 4.063 4.063 4.002 0.061 25543 324 1 . 1 1 64 64 GLU CA C 64 59.613 59.613 59.757 -0.144 25543 325 1 . 1 1 64 64 GLU CB C 64 29.017 29.017 29.243 -0.226 25543 326 1 . 1 1 64 64 GLU H H 64 8.813 8.813 8.493 0.320 25543 327 1 . 1 1 65 65 GLN N N 65 121.250 121.250 118.565 2.685 25543 328 1 . 1 1 65 65 GLN HA H 65 4.046 4.046 3.990 0.056 25543 329 1 . 1 1 65 65 GLN CA C 65 58.116 58.116 58.977 -0.861 25543 330 1 . 1 1 65 65 GLN CB C 65 28.711 28.711 28.610 0.101 25543 331 1 . 1 1 65 65 GLN H H 65 7.964 7.964 7.814 0.150 25543 332 1 . 1 1 66 66 MET N N 66 120.082 120.082 117.742 2.340 25543 333 1 . 1 1 66 66 MET HA H 66 4.156 4.156 4.101 0.055 25543 334 1 . 1 1 66 66 MET CA C 66 58.241 58.241 58.806 -0.565 25543 335 1 . 1 1 66 66 MET CB C 66 32.558 32.558 31.921 0.637 25543 336 1 . 1 1 66 66 MET H H 66 8.429 8.429 7.869 0.560 25543 337 1 . 1 1 67 67 ALA N N 67 122.222 122.222 122.904 -0.682 25543 338 1 . 1 1 67 67 ALA HA H 67 4.157 4.157 3.968 0.189 25543 339 1 . 1 1 67 67 ALA CA C 67 54.271 54.271 55.203 -0.932 25543 340 1 . 1 1 67 67 ALA CB C 67 18.279 18.279 18.045 0.234 25543 341 1 . 1 1 67 67 ALA H H 67 8.106 8.106 8.302 -0.196 25543 342 1 . 1 1 68 68 LYS N N 68 120.031 120.031 119.142 0.889 25543 343 1 . 1 1 68 68 LYS HA H 68 4.127 4.127 3.968 0.159 25543 344 1 . 1 1 68 68 LYS CA C 68 58.373 58.373 59.578 -1.205 25543 345 1 . 1 1 68 68 LYS CB C 68 32.604 32.604 32.343 0.261 25543 346 1 . 1 1 68 68 LYS H H 68 7.815 7.815 8.239 -0.424 25543 347 1 . 1 1 69 69 GLU N N 69 119.896 119.896 119.322 0.574 25543 348 1 . 1 1 69 69 GLU HA H 69 4.123 4.123 4.036 0.087 25543 349 1 . 1 1 69 69 GLU CA C 69 58.549 58.549 59.440 -0.891 25543 350 1 . 1 1 69 69 GLU CB C 69 29.410 29.410 29.463 -0.053 25543 351 1 . 1 1 69 69 GLU H H 69 8.149 8.149 8.359 -0.210 25543 352 1 . 1 1 70 70 MET N N 70 119.261 119.261 118.785 0.476 25543 353 1 . 1 1 70 70 MET HA H 70 4.434 4.434 4.160 0.274 25543 354 1 . 1 1 70 70 MET C C 70 174.607 174.607 178.697 -4.090 25543 355 1 . 1 1 70 70 MET CA C 70 56.884 56.884 58.813 -1.929 25543 356 1 . 1 1 70 70 MET CB C 70 32.159 32.159 32.175 -0.016 25543 357 1 . 1 1 70 70 MET H H 70 8.215 8.215 8.497 -0.282 25543 358 1 . 1 1 71 71 SER N N 71 115.618 115.618 115.149 0.469 25543 359 1 . 1 1 71 71 SER HA H 71 4.265 4.265 4.125 0.140 25543 360 1 . 1 1 71 71 SER CA C 71 60.463 60.463 61.792 -1.329 25543 361 1 . 1 1 71 71 SER CB C 71 63.135 63.135 62.766 0.369 25543 362 1 . 1 1 71 71 SER H H 71 8.161 8.161 8.408 -0.247 25543 363 1 . 1 1 72 72 GLU N N 72 122.328 122.328 121.045 1.283 25543 364 1 . 1 1 72 72 GLU HA H 72 4.113 4.113 4.165 -0.052 25543 365 1 . 1 1 72 72 GLU CA C 72 58.116 58.116 58.638 -0.522 25543 366 1 . 1 1 72 72 GLU CB C 72 29.427 29.427 29.734 -0.307 25543 367 1 . 1 1 72 72 GLU H H 72 8.247 8.247 8.040 0.207 25543 368 1 . 1 1 73 73 PHE N N 73 120.564 120.564 119.504 1.060 25543 369 1 . 1 1 73 73 PHE HA H 73 4.400 4.400 4.253 0.147 25543 370 1 . 1 1 73 73 PHE CA C 73 59.497 59.497 61.023 -1.526 25543 371 1 . 1 1 73 73 PHE CB C 73 39.182 39.182 39.773 -0.591 25543 372 1 . 1 1 73 73 PHE H H 73 8.126 8.126 8.052 0.074 25543 373 1 . 1 1 74 74 LEU N N 74 120.761 120.761 117.045 3.716 25543 374 1 . 1 1 74 74 LEU HA H 74 4.152 4.152 4.136 0.016 25543 375 1 . 1 1 74 74 LEU CA C 74 55.890 55.890 56.509 -0.619 25543 376 1 . 1 1 74 74 LEU CB C 74 42.106 42.106 41.925 0.181 25543 377 1 . 1 1 74 74 LEU H H 74 8.127 8.127 8.394 -0.267 25543 378 1 . 1 1 75 75 SER N N 75 115.178 115.178 113.153 2.025 25543 379 1 . 1 1 75 75 SER HA H 75 4.357 4.357 4.375 -0.018 25543 380 1 . 1 1 75 75 SER CA C 75 58.921 58.921 58.094 0.827 25543 381 1 . 1 1 75 75 SER CB C 75 63.534 63.534 63.456 0.078 25543 382 1 . 1 1 75 75 SER H H 75 8.003 8.003 7.603 0.400 25543 383 1 . 1 1 76 76 ARG N N 76 122.367 122.367 123.959 -1.592 25543 384 1 . 1 1 76 76 ARG HA H 76 4.314 4.314 4.289 0.025 25543 385 1 . 1 1 76 76 ARG CA C 76 56.406 56.406 56.787 -0.381 25543 386 1 . 1 1 76 76 ARG CB C 76 30.832 30.832 30.801 0.031 25543 387 1 . 1 1 76 76 ARG H H 76 7.985 7.985 8.303 -0.318 25543 388 1 . 1 1 77 77 GLY N N 77 109.723 109.723 108.544 1.179 25543 389 1 . 1 1 77 77 GLY CA C 77 44.400 44.400 44.597 -0.197 25543 390 1 . 1 1 77 77 GLY H H 77 8.151 8.151 8.170 -0.019 25543 391 1 . 1 1 78 78 PRO HA H 78 4.365 4.365 4.460 -0.095 25543 392 1 . 1 1 78 78 PRO C C 78 173.976 173.976 176.627 -2.651 25543 393 1 . 1 1 78 78 PRO CA C 78 63.226 63.226 63.057 0.169 25543 394 1 . 1 1 78 78 PRO CB C 78 32.028 32.028 31.494 0.534 25543 stop_ save_