data_25849 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25849 _Entry.PDB_ID 2N8G 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 25849 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.446 -0.081 25849 2 1 1 . 1 1 3 3 PRO C C 3 177.410 177.410 176.289 1.121 25849 3 1 1 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.928 0.333 25849 4 1 1 . 1 1 3 3 PRO CB C 3 31.782 31.782 31.241 0.541 25849 5 1 1 . 1 1 4 4 GLY N N 4 109.481 109.481 112.173 -2.692 25849 6 1 1 . 1 1 4 4 GLY C C 4 173.688 173.688 173.935 -0.247 25849 7 1 1 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.651 -0.576 25849 8 1 1 . 1 1 5 5 GLY N N 5 108.665 108.665 109.718 -1.053 25849 9 1 1 . 1 1 5 5 GLY C C 5 174.231 174.231 173.650 0.581 25849 10 1 1 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.411 0.971 25849 11 1 1 . 1 1 6 6 LYS N N 6 120.860 120.860 118.873 1.987 25849 12 1 1 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.083 0.173 25849 13 1 1 . 1 1 6 6 LYS C C 6 176.715 176.715 175.118 1.597 25849 14 1 1 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.782 -0.490 25849 15 1 1 . 1 1 6 6 LYS CB C 6 32.806 32.806 31.787 1.019 25849 16 1 1 . 1 1 7 7 SER N N 7 116.762 116.762 113.711 3.051 25849 17 1 1 . 1 1 7 7 SER HA H 7 4.344 4.344 4.534 -0.190 25849 18 1 1 . 1 1 7 7 SER C C 7 174.437 174.437 174.637 -0.200 25849 19 1 1 . 1 1 7 7 SER CA C 7 58.373 58.373 57.072 1.301 25849 20 1 1 . 1 1 7 7 SER CB C 7 63.557 63.557 64.848 -1.291 25849 21 1 1 . 1 1 8 8 ARG N N 8 123.315 123.315 123.634 -0.319 25849 22 1 1 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.231 0.032 25849 23 1 1 . 1 1 8 8 ARG C C 8 176.017 176.017 175.983 0.034 25849 24 1 1 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.088 -0.137 25849 25 1 1 . 1 1 8 8 ARG CB C 8 30.533 30.533 29.203 1.330 25849 26 1 1 . 1 1 9 9 ARG N N 9 122.423 122.423 124.728 -2.305 25849 27 1 1 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.184 0.044 25849 28 1 1 . 1 1 9 9 ARG C C 9 176.001 176.001 175.720 0.281 25849 29 1 1 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.682 0.254 25849 30 1 1 . 1 1 9 9 ARG CB C 9 30.625 30.625 29.244 1.381 25849 31 1 1 . 1 1 10 10 ARG N N 10 123.297 123.297 124.334 -1.037 25849 32 1 1 . 1 1 10 10 ARG HA H 10 4.249 4.249 3.869 0.381 25849 33 1 1 . 1 1 10 10 ARG C C 10 176.008 176.008 174.607 1.401 25849 34 1 1 . 1 1 10 10 ARG CA C 10 55.866 55.866 57.541 -1.675 25849 35 1 1 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.308 1.408 25849 36 1 1 . 1 1 11 11 ARG N N 11 123.308 123.308 119.495 3.813 25849 37 1 1 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.514 -0.202 25849 38 1 1 . 1 1 11 11 ARG C C 11 176.115 176.115 175.951 0.164 25849 39 1 1 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.092 0.987 25849 40 1 1 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.423 -1.640 25849 41 1 1 . 1 1 12 12 THR N N 12 116.294 116.294 115.634 0.660 25849 42 1 1 . 1 1 12 12 THR HA H 12 4.193 4.193 4.382 -0.189 25849 43 1 1 . 1 1 12 12 THR C C 12 173.498 173.498 174.032 -0.534 25849 44 1 1 . 1 1 12 12 THR CA C 12 61.491 61.491 61.820 -0.329 25849 45 1 1 . 1 1 12 12 THR CB C 12 69.706 69.706 69.358 0.348 25849 46 1 1 . 1 1 13 13 ALA N N 13 127.117 127.117 125.796 1.321 25849 47 1 1 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.495 -0.274 25849 48 1 1 . 1 1 13 13 ALA C C 13 176.874 176.874 176.456 0.418 25849 49 1 1 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.411 -0.388 25849 50 1 1 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.334 1.298 25849 51 1 1 . 1 1 14 14 PHE N N 14 118.798 118.798 125.598 -6.800 25849 52 1 1 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.116 -0.224 25849 53 1 1 . 1 1 14 14 PHE C C 14 176.653 176.653 176.128 0.525 25849 54 1 1 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.233 -0.099 25849 55 1 1 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.766 -2.254 25849 56 1 1 . 1 1 15 15 THR N N 15 113.522 113.522 116.222 -2.700 25849 57 1 1 . 1 1 15 15 THR HA H 15 4.426 4.426 4.511 -0.085 25849 58 1 1 . 1 1 15 15 THR C C 15 175.371 175.371 175.880 -0.509 25849 59 1 1 . 1 1 15 15 THR CA C 15 60.434 60.434 61.078 -0.645 25849 60 1 1 . 1 1 15 15 THR CB C 15 70.826 70.826 70.300 0.526 25849 61 1 1 . 1 1 16 16 SER N N 16 116.611 116.611 115.963 0.648 25849 62 1 1 . 1 1 16 16 SER HA H 16 3.862 3.862 4.184 -0.322 25849 63 1 1 . 1 1 16 16 SER C C 16 176.742 176.742 176.178 0.564 25849 64 1 1 . 1 1 16 16 SER CA C 16 62.165 62.165 61.673 0.492 25849 65 1 1 . 1 1 16 16 SER CB C 16 61.908 61.908 62.906 -0.998 25849 66 1 1 . 1 1 17 17 GLU N N 17 120.901 120.901 120.494 0.407 25849 67 1 1 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.106 -0.163 25849 68 1 1 . 1 1 17 17 GLU C C 17 178.802 178.802 179.132 -0.330 25849 69 1 1 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.123 0.958 25849 70 1 1 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.328 -0.221 25849 71 1 1 . 1 1 18 18 GLN N N 18 118.523 118.523 118.907 -0.384 25849 72 1 1 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.997 -0.251 25849 73 1 1 . 1 1 18 18 GLN C C 18 177.493 177.493 178.159 -0.666 25849 74 1 1 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.424 0.460 25849 75 1 1 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.766 -0.708 25849 76 1 1 . 1 1 19 19 LEU N N 19 117.349 117.349 119.201 -1.852 25849 77 1 1 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.840 -0.308 25849 78 1 1 . 1 1 19 19 LEU C C 19 178.289 178.289 178.385 -0.096 25849 79 1 1 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.653 1.066 25849 80 1 1 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.774 0.216 25849 81 1 1 . 1 1 20 20 LEU N N 20 118.800 118.800 120.845 -2.045 25849 82 1 1 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.016 -0.144 25849 83 1 1 . 1 1 20 20 LEU C C 20 179.808 179.808 178.908 0.900 25849 84 1 1 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.055 0.277 25849 85 1 1 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.056 0.948 25849 86 1 1 . 1 1 21 21 GLU N N 21 118.036 118.036 118.248 -0.212 25849 87 1 1 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.011 0.026 25849 88 1 1 . 1 1 21 21 GLU C C 21 175.996 175.996 179.266 -3.270 25849 89 1 1 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.352 -0.942 25849 90 1 1 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.061 0.752 25849 91 1 1 . 1 1 22 22 LEU N N 22 121.854 121.854 119.257 2.597 25849 92 1 1 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.950 -0.464 25849 93 1 1 . 1 1 22 22 LEU CA C 22 58.255 58.255 58.285 -0.030 25849 94 1 1 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.261 -2.826 25849 95 1 1 . 1 1 23 23 ARG N N 23 116.956 116.956 117.599 -0.643 25849 96 1 1 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.085 -0.160 25849 97 1 1 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.073 1.075 25849 98 1 1 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.077 -0.066 25849 99 1 1 . 1 1 24 24 LYS N N 24 121.392 121.392 120.502 0.890 25849 100 1 1 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.023 -0.042 25849 101 1 1 . 1 1 24 24 LYS CA C 24 59.709 59.709 60.041 -0.332 25849 102 1 1 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.339 0.103 25849 103 1 1 . 1 1 25 25 GLU N N 25 119.698 119.698 119.647 0.051 25849 104 1 1 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.144 0.096 25849 105 1 1 . 1 1 25 25 GLU C C 25 178.495 178.495 178.652 -0.157 25849 106 1 1 . 1 1 25 25 GLU CA C 25 58.763 58.763 59.215 -0.452 25849 107 1 1 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.414 -0.699 25849 108 1 1 . 1 1 26 26 PHE N N 26 121.062 121.062 119.567 1.495 25849 109 1 1 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.198 0.433 25849 110 1 1 . 1 1 26 26 PHE C C 26 176.071 176.071 176.844 -0.773 25849 111 1 1 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.285 -1.455 25849 112 1 1 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.273 0.308 25849 113 1 1 . 1 1 27 27 HIS N N 27 115.944 115.944 116.775 -0.831 25849 114 1 1 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.340 -0.306 25849 115 1 1 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.989 0.242 25849 116 1 1 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.552 -1.456 25849 117 1 1 . 1 1 28 28 CYS N N 28 113.854 113.854 117.540 -3.686 25849 118 1 1 . 1 1 28 28 CYS C C 28 175.913 175.913 174.455 1.458 25849 119 1 1 . 1 1 28 28 CYS CA C 28 51.047 51.047 60.773 -9.726 25849 120 1 1 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.075 19.823 25849 121 1 1 . 1 1 29 29 LYS N N 29 121.350 121.350 121.314 0.036 25849 122 1 1 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.539 -0.275 25849 123 1 1 . 1 1 29 29 LYS C C 29 172.365 172.365 176.698 -4.333 25849 124 1 1 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.224 0.848 25849 125 1 1 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.082 1.991 25849 126 1 1 . 1 1 30 30 LYS N N 30 117.744 117.744 122.294 -4.550 25849 127 1 1 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.758 -0.042 25849 128 1 1 . 1 1 30 30 LYS C C 30 174.932 174.932 175.531 -0.599 25849 129 1 1 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.582 -1.654 25849 130 1 1 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.409 0.139 25849 131 1 1 . 1 1 31 31 TYR N N 31 113.437 113.437 117.710 -4.273 25849 132 1 1 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.684 -0.184 25849 133 1 1 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.757 -0.363 25849 134 1 1 . 1 1 31 31 TYR CB C 31 41.161 41.161 40.693 0.468 25849 135 1 1 . 1 1 32 32 LEU N N 32 122.416 122.416 124.155 -1.739 25849 136 1 1 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.509 0.112 25849 137 1 1 . 1 1 32 32 LEU C C 32 177.448 177.448 177.048 0.400 25849 138 1 1 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.952 -1.167 25849 139 1 1 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.778 1.921 25849 140 1 1 . 1 1 33 33 SER N N 33 119.021 119.021 116.682 2.339 25849 141 1 1 . 1 1 33 33 SER HA H 33 4.495 4.495 4.486 0.009 25849 142 1 1 . 1 1 33 33 SER C C 33 174.599 174.599 175.710 -1.111 25849 143 1 1 . 1 1 33 33 SER CA C 33 56.591 56.591 57.852 -1.261 25849 144 1 1 . 1 1 33 33 SER CB C 33 64.944 64.944 64.005 0.939 25849 145 1 1 . 1 1 34 34 LEU N N 34 121.555 121.555 123.307 -1.752 25849 146 1 1 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.132 -0.226 25849 147 1 1 . 1 1 34 34 LEU C C 34 179.869 179.869 178.925 0.944 25849 148 1 1 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.713 0.205 25849 149 1 1 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.206 1.179 25849 150 1 1 . 1 1 35 35 THR N N 35 113.629 113.629 113.702 -0.073 25849 151 1 1 . 1 1 35 35 THR HA H 35 3.861 3.861 3.990 -0.129 25849 152 1 1 . 1 1 35 35 THR C C 35 176.846 176.846 176.495 0.351 25849 153 1 1 . 1 1 35 35 THR CA C 35 65.790 65.790 66.137 -0.347 25849 154 1 1 . 1 1 35 35 THR CB C 35 68.421 68.421 68.109 0.312 25849 155 1 1 . 1 1 36 36 GLU N N 36 122.918 122.918 121.213 1.705 25849 156 1 1 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.057 -0.146 25849 157 1 1 . 1 1 36 36 GLU C C 36 178.858 178.858 178.949 -0.091 25849 158 1 1 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.346 -0.499 25849 159 1 1 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.639 1.899 25849 160 1 1 . 1 1 37 37 ARG N N 37 119.042 119.042 119.384 -0.342 25849 161 1 1 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.956 -0.272 25849 162 1 1 . 1 1 37 37 ARG C C 37 177.748 177.748 179.109 -1.361 25849 163 1 1 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.992 1.044 25849 164 1 1 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.005 0.807 25849 165 1 1 . 1 1 38 38 SER N N 38 113.447 113.447 113.413 0.034 25849 166 1 1 . 1 1 38 38 SER HA H 38 4.004 4.004 4.233 -0.229 25849 167 1 1 . 1 1 38 38 SER C C 38 176.517 176.517 176.338 0.179 25849 168 1 1 . 1 1 38 38 SER CA C 38 61.804 61.804 61.434 0.370 25849 169 1 1 . 1 1 38 38 SER CB C 38 62.810 62.810 62.950 -0.140 25849 170 1 1 . 1 1 39 39 GLN N N 39 121.739 121.739 121.671 0.068 25849 171 1 1 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.024 0.023 25849 172 1 1 . 1 1 39 39 GLN C C 39 178.889 178.889 178.174 0.715 25849 173 1 1 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.155 -0.065 25849 174 1 1 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.745 -0.430 25849 175 1 1 . 1 1 40 40 ILE N N 40 121.471 121.471 117.131 4.340 25849 176 1 1 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.929 -0.092 25849 177 1 1 . 1 1 40 40 ILE C C 40 176.844 176.844 177.061 -0.217 25849 178 1 1 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.845 2.553 25849 179 1 1 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.119 2.056 25849 180 1 1 . 1 1 41 41 ALA N N 41 121.897 121.897 122.375 -0.478 25849 181 1 1 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.098 -0.504 25849 182 1 1 . 1 1 41 41 ALA C C 41 179.238 179.238 178.552 0.686 25849 183 1 1 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.401 1.524 25849 184 1 1 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.926 -1.342 25849 185 1 1 . 1 1 42 42 HIS N N 42 114.139 114.139 120.421 -6.282 25849 186 1 1 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.190 0.133 25849 187 1 1 . 1 1 42 42 HIS C C 42 178.003 178.003 178.022 -0.019 25849 188 1 1 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.616 -0.871 25849 189 1 1 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.031 -1.269 25849 190 1 1 . 1 1 43 43 ALA N N 43 121.931 121.931 121.899 0.032 25849 191 1 1 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.185 -0.193 25849 192 1 1 . 1 1 43 43 ALA C C 43 179.235 179.235 177.936 1.299 25849 193 1 1 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.727 0.183 25849 194 1 1 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.762 -0.359 25849 195 1 1 . 1 1 44 44 LEU N N 44 114.067 114.067 114.150 -0.083 25849 196 1 1 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.480 -0.241 25849 197 1 1 . 1 1 44 44 LEU C C 44 175.891 175.891 176.154 -0.263 25849 198 1 1 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.809 0.427 25849 199 1 1 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.919 -0.338 25849 200 1 1 . 1 1 45 45 LYS N N 45 116.940 116.940 116.511 0.429 25849 201 1 1 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.871 0.006 25849 202 1 1 . 1 1 45 45 LYS C C 45 175.207 175.207 175.895 -0.688 25849 203 1 1 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.495 -0.241 25849 204 1 1 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.080 -2.683 25849 205 1 1 . 1 1 46 46 LEU N N 46 119.505 119.505 118.763 0.742 25849 206 1 1 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.308 0.399 25849 207 1 1 . 1 1 46 46 LEU C C 46 175.958 175.958 175.959 -0.001 25849 208 1 1 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.902 -1.563 25849 209 1 1 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.346 3.966 25849 210 1 1 . 1 1 47 47 SER N N 47 114.844 114.844 115.088 -0.244 25849 211 1 1 . 1 1 47 47 SER HA H 47 4.641 4.641 4.503 0.138 25849 212 1 1 . 1 1 47 47 SER C C 47 175.899 175.899 175.792 0.107 25849 213 1 1 . 1 1 47 47 SER CA C 47 56.675 56.675 57.403 -0.728 25849 214 1 1 . 1 1 47 47 SER CB C 47 64.911 64.911 64.740 0.171 25849 215 1 1 . 1 1 48 48 GLU N N 48 122.920 122.920 123.422 -0.502 25849 216 1 1 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.062 -0.467 25849 217 1 1 . 1 1 48 48 GLU C C 48 178.430 178.430 178.534 -0.104 25849 218 1 1 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.617 1.498 25849 219 1 1 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.399 -0.389 25849 220 1 1 . 1 1 49 49 VAL N N 49 118.053 118.053 121.579 -3.526 25849 221 1 1 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.911 -0.221 25849 222 1 1 . 1 1 49 49 VAL C C 49 177.001 177.001 177.584 -0.583 25849 223 1 1 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.825 -0.072 25849 224 1 1 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.313 0.496 25849 225 1 1 . 1 1 50 50 GLN N N 50 119.121 119.121 118.656 0.465 25849 226 1 1 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.228 -0.154 25849 227 1 1 . 1 1 50 50 GLN C C 50 179.480 179.480 179.207 0.273 25849 228 1 1 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.524 -0.270 25849 229 1 1 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.094 1.563 25849 230 1 1 . 1 1 51 51 VAL N N 51 118.983 118.983 118.737 0.246 25849 231 1 1 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.035 -0.391 25849 232 1 1 . 1 1 51 51 VAL C C 51 176.652 176.652 177.662 -1.010 25849 233 1 1 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.334 0.087 25849 234 1 1 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.271 0.889 25849 235 1 1 . 1 1 52 52 LYS N N 52 120.962 120.962 121.237 -0.275 25849 236 1 1 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.087 0.080 25849 237 1 1 . 1 1 52 52 LYS C C 52 179.592 179.592 179.169 0.423 25849 238 1 1 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.660 0.288 25849 239 1 1 . 1 1 52 52 LYS CB C 52 33.291 33.291 31.966 1.325 25849 240 1 1 . 1 1 53 53 ILE N N 53 120.085 120.085 119.657 0.428 25849 241 1 1 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.805 -0.070 25849 242 1 1 . 1 1 53 53 ILE C C 53 177.452 177.452 178.163 -0.711 25849 243 1 1 . 1 1 53 53 ILE CA C 53 64.226 64.226 65.009 -0.783 25849 244 1 1 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.772 0.255 25849 245 1 1 . 1 1 54 54 TRP N N 54 122.169 122.169 122.379 -0.210 25849 246 1 1 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.132 -0.145 25849 247 1 1 . 1 1 54 54 TRP C C 54 179.143 179.143 178.236 0.907 25849 248 1 1 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.505 2.087 25849 249 1 1 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.750 -0.809 25849 250 1 1 . 1 1 55 55 PHE N N 55 118.530 118.530 117.962 0.568 25849 251 1 1 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.230 -0.576 25849 252 1 1 . 1 1 55 55 PHE C C 55 177.833 177.833 178.149 -0.316 25849 253 1 1 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.102 0.100 25849 254 1 1 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.920 0.619 25849 255 1 1 . 1 1 56 56 GLN N N 56 118.313 118.313 117.342 0.971 25849 256 1 1 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.956 -0.067 25849 257 1 1 . 1 1 56 56 GLN C C 56 179.052 179.052 177.817 1.235 25849 258 1 1 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.147 0.339 25849 259 1 1 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.193 0.376 25849 260 1 1 . 1 1 57 57 ASN N N 57 119.607 119.607 118.082 1.525 25849 261 1 1 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.450 -0.169 25849 262 1 1 . 1 1 57 57 ASN C C 57 177.385 177.385 177.389 -0.004 25849 263 1 1 . 1 1 57 57 ASN CA C 57 55.392 55.392 55.739 -0.347 25849 264 1 1 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.353 -0.520 25849 265 1 1 . 1 1 58 58 GLU N N 58 124.516 124.516 121.129 3.387 25849 266 1 1 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.837 -0.476 25849 267 1 1 . 1 1 58 58 GLU C C 58 179.522 179.522 178.545 0.977 25849 268 1 1 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.355 -0.068 25849 269 1 1 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.115 -1.583 25849 270 1 1 . 1 1 59 59 ARG N N 59 118.692 118.692 119.603 -0.911 25849 271 1 1 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.455 -0.315 25849 272 1 1 . 1 1 59 59 ARG C C 59 178.813 178.813 178.690 0.123 25849 273 1 1 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.240 1.673 25849 274 1 1 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.021 1.670 25849 275 1 1 . 1 1 60 60 ALA N N 60 120.662 120.662 120.775 -0.113 25849 276 1 1 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.220 -0.137 25849 277 1 1 . 1 1 60 60 ALA C C 60 179.753 179.753 179.071 0.682 25849 278 1 1 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.031 -0.231 25849 279 1 1 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.246 -0.348 25849 280 1 1 . 1 1 61 61 LYS N N 61 118.620 118.620 119.628 -1.008 25849 281 1 1 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.933 -0.092 25849 282 1 1 . 1 1 61 61 LYS C C 61 177.994 177.994 178.747 -0.753 25849 283 1 1 . 1 1 61 61 LYS CA C 61 58.772 58.772 59.047 -0.275 25849 284 1 1 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.249 0.246 25849 285 1 1 . 1 1 62 62 TRP N N 62 120.517 120.517 120.493 0.024 25849 286 1 1 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.359 -0.032 25849 287 1 1 . 1 1 62 62 TRP C C 62 177.118 177.118 178.741 -1.623 25849 288 1 1 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.060 -1.724 25849 289 1 1 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.069 -0.950 25849 290 1 1 . 1 1 63 63 LYS N N 63 119.074 119.074 119.667 -0.593 25849 291 1 1 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.068 -0.273 25849 292 1 1 . 1 1 63 63 LYS C C 63 177.429 177.429 179.122 -1.693 25849 293 1 1 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.912 -1.823 25849 294 1 1 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.284 0.461 25849 295 1 1 . 1 1 64 64 ARG N N 64 118.825 118.825 117.879 0.946 25849 296 1 1 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.103 -0.019 25849 297 1 1 . 1 1 64 64 ARG C C 64 177.231 177.231 177.817 -0.586 25849 298 1 1 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.698 -1.228 25849 299 1 1 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.560 0.718 25849 300 1 1 . 1 1 65 65 ILE N N 65 120.523 120.523 118.519 2.004 25849 301 1 1 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.757 0.116 25849 302 1 1 . 1 1 65 65 ILE C C 65 177.198 177.198 176.642 0.556 25849 303 1 1 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.542 -0.150 25849 304 1 1 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.404 0.994 25849 305 1 1 . 1 1 66 66 LYS N N 66 123.201 123.201 121.187 2.014 25849 306 1 1 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.129 -0.056 25849 307 1 1 . 1 1 66 66 LYS C C 66 176.387 176.387 176.430 -0.043 25849 308 1 1 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.485 0.140 25849 309 1 1 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.802 1.562 25849 310 1 1 . 1 1 67 67 ALA N N 67 123.500 123.500 126.232 -2.732 25849 311 1 1 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.081 0.121 25849 312 1 1 . 1 1 67 67 ALA C C 67 177.870 177.870 178.827 -0.957 25849 313 1 1 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.412 -1.829 25849 314 1 1 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.236 -0.150 25849 315 1 1 . 1 1 68 68 GLY N N 68 107.120 107.120 105.746 1.374 25849 316 1 1 . 1 1 68 68 GLY C C 68 173.688 173.688 174.131 -0.443 25849 317 1 1 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.760 0.589 25849 318 1 1 . 1 1 69 69 ASN N N 69 118.671 118.671 121.843 -3.172 25849 319 1 1 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.859 -0.176 25849 320 1 1 . 1 1 69 69 ASN C C 69 174.792 174.792 176.217 -1.425 25849 321 1 1 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.967 0.042 25849 322 1 1 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.737 -0.673 25849 323 1 1 . 1 1 70 70 VAL N N 70 119.480 119.480 120.500 -1.020 25849 324 1 1 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.959 0.171 25849 325 1 1 . 1 1 70 70 VAL C C 70 175.126 175.126 176.525 -1.399 25849 326 1 1 . 1 1 70 70 VAL CA C 70 62.091 62.091 64.283 -2.192 25849 327 1 1 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.220 1.643 25849 328 1 2 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.557 -0.192 25849 329 1 2 . 1 1 3 3 PRO C C 3 177.410 177.410 176.421 0.989 25849 330 1 2 . 1 1 3 3 PRO CA C 3 63.261 63.261 63.095 0.166 25849 331 1 2 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.520 -0.738 25849 332 1 2 . 1 1 4 4 GLY N N 4 109.481 109.481 107.595 1.886 25849 333 1 2 . 1 1 4 4 GLY C C 4 173.688 173.688 173.556 0.132 25849 334 1 2 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.945 0.130 25849 335 1 2 . 1 1 5 5 GLY N N 5 108.665 108.665 107.155 1.510 25849 336 1 2 . 1 1 5 5 GLY C C 5 174.231 174.231 174.773 -0.542 25849 337 1 2 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.576 -0.194 25849 338 1 2 . 1 1 6 6 LYS N N 6 120.860 120.860 120.024 0.836 25849 339 1 2 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.660 -0.404 25849 340 1 2 . 1 1 6 6 LYS C C 6 176.715 176.715 174.991 1.724 25849 341 1 2 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.602 0.690 25849 342 1 2 . 1 1 6 6 LYS CB C 6 32.806 32.806 34.416 -1.610 25849 343 1 2 . 1 1 7 7 SER N N 7 116.762 116.762 117.416 -0.654 25849 344 1 2 . 1 1 7 7 SER HA H 7 4.344 4.344 4.756 -0.412 25849 345 1 2 . 1 1 7 7 SER C C 7 174.437 174.437 174.384 0.053 25849 346 1 2 . 1 1 7 7 SER CA C 7 58.373 58.373 57.970 0.403 25849 347 1 2 . 1 1 7 7 SER CB C 7 63.557 63.557 63.973 -0.416 25849 348 1 2 . 1 1 8 8 ARG N N 8 123.315 123.315 126.199 -2.884 25849 349 1 2 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.458 -0.195 25849 350 1 2 . 1 1 8 8 ARG C C 8 176.017 176.017 175.701 0.316 25849 351 1 2 . 1 1 8 8 ARG CA C 8 55.951 55.951 57.025 -1.074 25849 352 1 2 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.821 -0.288 25849 353 1 2 . 1 1 9 9 ARG N N 9 122.423 122.423 118.645 3.778 25849 354 1 2 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.692 -0.464 25849 355 1 2 . 1 1 9 9 ARG C C 9 176.001 176.001 174.657 1.344 25849 356 1 2 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.654 0.282 25849 357 1 2 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.197 -0.572 25849 358 1 2 . 1 1 10 10 ARG N N 10 123.297 123.297 120.578 2.719 25849 359 1 2 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.719 -0.470 25849 360 1 2 . 1 1 10 10 ARG C C 10 176.008 176.008 176.501 -0.493 25849 361 1 2 . 1 1 10 10 ARG CA C 10 55.866 55.866 54.610 1.256 25849 362 1 2 . 1 1 10 10 ARG CB C 10 30.716 30.716 31.047 -0.331 25849 363 1 2 . 1 1 11 11 ARG N N 11 123.308 123.308 120.886 2.422 25849 364 1 2 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.087 0.225 25849 365 1 2 . 1 1 11 11 ARG C C 11 176.115 176.115 175.477 0.638 25849 366 1 2 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.987 -0.908 25849 367 1 2 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.743 0.040 25849 368 1 2 . 1 1 12 12 THR N N 12 116.294 116.294 117.547 -1.253 25849 369 1 2 . 1 1 12 12 THR HA H 12 4.193 4.193 4.585 -0.392 25849 370 1 2 . 1 1 12 12 THR C C 12 173.498 173.498 173.849 -0.351 25849 371 1 2 . 1 1 12 12 THR CA C 12 61.491 61.491 60.839 0.652 25849 372 1 2 . 1 1 12 12 THR CB C 12 69.706 69.706 70.811 -1.105 25849 373 1 2 . 1 1 13 13 ALA N N 13 127.117 127.117 125.285 1.832 25849 374 1 2 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.430 -0.209 25849 375 1 2 . 1 1 13 13 ALA C C 13 176.874 176.874 176.739 0.135 25849 376 1 2 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.989 -0.966 25849 377 1 2 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.579 1.053 25849 378 1 2 . 1 1 14 14 PHE N N 14 118.798 118.798 124.617 -5.819 25849 379 1 2 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.073 -0.181 25849 380 1 2 . 1 1 14 14 PHE C C 14 176.653 176.653 176.347 0.306 25849 381 1 2 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.703 0.431 25849 382 1 2 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.272 -1.760 25849 383 1 2 . 1 1 15 15 THR N N 15 113.522 113.522 114.955 -1.433 25849 384 1 2 . 1 1 15 15 THR HA H 15 4.426 4.426 4.655 -0.229 25849 385 1 2 . 1 1 15 15 THR C C 15 175.371 175.371 175.527 -0.156 25849 386 1 2 . 1 1 15 15 THR CA C 15 60.434 60.434 60.737 -0.303 25849 387 1 2 . 1 1 15 15 THR CB C 15 70.826 70.826 70.639 0.187 25849 388 1 2 . 1 1 16 16 SER N N 16 116.611 116.611 115.425 1.186 25849 389 1 2 . 1 1 16 16 SER HA H 16 3.862 3.862 4.121 -0.259 25849 390 1 2 . 1 1 16 16 SER C C 16 176.742 176.742 176.497 0.245 25849 391 1 2 . 1 1 16 16 SER CA C 16 62.165 62.165 61.243 0.922 25849 392 1 2 . 1 1 16 16 SER CB C 16 61.908 61.908 63.076 -1.168 25849 393 1 2 . 1 1 17 17 GLU N N 17 120.901 120.901 121.902 -1.001 25849 394 1 2 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.973 -0.030 25849 395 1 2 . 1 1 17 17 GLU C C 17 178.802 178.802 178.737 0.065 25849 396 1 2 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.171 0.910 25849 397 1 2 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.348 -0.242 25849 398 1 2 . 1 1 18 18 GLN N N 18 118.523 118.523 117.782 0.741 25849 399 1 2 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.030 -0.284 25849 400 1 2 . 1 1 18 18 GLN C C 18 177.493 177.493 178.201 -0.708 25849 401 1 2 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.014 0.870 25849 402 1 2 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.745 -0.687 25849 403 1 2 . 1 1 19 19 LEU N N 19 117.349 117.349 119.484 -2.135 25849 404 1 2 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.825 -0.293 25849 405 1 2 . 1 1 19 19 LEU C C 19 178.289 178.289 178.067 0.222 25849 406 1 2 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.345 1.374 25849 407 1 2 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.745 0.245 25849 408 1 2 . 1 1 20 20 LEU N N 20 118.800 118.800 121.242 -2.442 25849 409 1 2 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.926 -0.054 25849 410 1 2 . 1 1 20 20 LEU C C 20 179.808 179.808 178.950 0.858 25849 411 1 2 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.259 0.073 25849 412 1 2 . 1 1 20 20 LEU CB C 20 42.004 42.004 40.891 1.113 25849 413 1 2 . 1 1 21 21 GLU N N 21 118.036 118.036 117.946 0.090 25849 414 1 2 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.994 0.043 25849 415 1 2 . 1 1 21 21 GLU C C 21 175.996 175.996 179.395 -3.399 25849 416 1 2 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.249 -0.839 25849 417 1 2 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.871 0.942 25849 418 1 2 . 1 1 22 22 LEU N N 22 121.854 121.854 120.050 1.804 25849 419 1 2 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.930 -0.444 25849 420 1 2 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.961 0.294 25849 421 1 2 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.321 -2.886 25849 422 1 2 . 1 1 23 23 ARG N N 23 116.956 116.956 117.463 -0.507 25849 423 1 2 . 1 1 23 23 ARG HA H 23 3.925 3.925 3.989 -0.064 25849 424 1 2 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.665 1.483 25849 425 1 2 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.004 0.007 25849 426 1 2 . 1 1 24 24 LYS N N 24 121.392 121.392 120.268 1.124 25849 427 1 2 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.061 -0.080 25849 428 1 2 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.774 -0.065 25849 429 1 2 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.535 -0.093 25849 430 1 2 . 1 1 25 25 GLU N N 25 119.698 119.698 118.471 1.227 25849 431 1 2 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.121 0.119 25849 432 1 2 . 1 1 25 25 GLU C C 25 178.495 178.495 178.996 -0.501 25849 433 1 2 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.801 -0.038 25849 434 1 2 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.276 -0.561 25849 435 1 2 . 1 1 26 26 PHE N N 26 121.062 121.062 119.889 1.173 25849 436 1 2 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.033 0.598 25849 437 1 2 . 1 1 26 26 PHE C C 26 176.071 176.071 176.065 0.006 25849 438 1 2 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.574 -0.744 25849 439 1 2 . 1 1 26 26 PHE CB C 26 39.581 39.581 38.891 0.690 25849 440 1 2 . 1 1 27 27 HIS N N 27 115.944 115.944 115.979 -0.035 25849 441 1 2 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.454 -0.420 25849 442 1 2 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.543 0.688 25849 443 1 2 . 1 1 27 27 HIS CB C 27 29.096 29.096 31.024 -1.928 25849 444 1 2 . 1 1 28 28 CYS N N 28 113.854 113.854 117.548 -3.694 25849 445 1 2 . 1 1 28 28 CYS C C 28 175.913 175.913 175.325 0.588 25849 446 1 2 . 1 1 28 28 CYS CA C 28 51.047 51.047 61.503 -10.456 25849 447 1 2 . 1 1 28 28 CYS CB C 28 49.898 49.898 29.025 20.873 25849 448 1 2 . 1 1 29 29 LYS N N 29 121.350 121.350 118.579 2.771 25849 449 1 2 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.397 -0.133 25849 450 1 2 . 1 1 29 29 LYS C C 29 172.365 172.365 174.711 -2.346 25849 451 1 2 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.293 0.779 25849 452 1 2 . 1 1 29 29 LYS CB C 29 35.073 35.073 34.820 0.253 25849 453 1 2 . 1 1 30 30 LYS N N 30 117.744 117.744 117.084 0.660 25849 454 1 2 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.269 -0.553 25849 455 1 2 . 1 1 30 30 LYS C C 30 174.932 174.932 174.996 -0.064 25849 456 1 2 . 1 1 30 30 LYS CA C 30 55.928 55.928 56.379 -0.451 25849 457 1 2 . 1 1 30 30 LYS CB C 30 32.548 32.548 34.485 -1.937 25849 458 1 2 . 1 1 31 31 TYR N N 31 113.437 113.437 116.878 -3.441 25849 459 1 2 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.898 -0.398 25849 460 1 2 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.723 -0.329 25849 461 1 2 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.055 2.106 25849 462 1 2 . 1 1 32 32 LEU N N 32 122.416 122.416 122.688 -0.272 25849 463 1 2 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.669 -0.048 25849 464 1 2 . 1 1 32 32 LEU C C 32 177.448 177.448 176.998 0.450 25849 465 1 2 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.694 -0.909 25849 466 1 2 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.590 1.109 25849 467 1 2 . 1 1 33 33 SER N N 33 119.021 119.021 117.280 1.741 25849 468 1 2 . 1 1 33 33 SER HA H 33 4.495 4.495 4.420 0.075 25849 469 1 2 . 1 1 33 33 SER C C 33 174.599 174.599 176.186 -1.587 25849 470 1 2 . 1 1 33 33 SER CA C 33 56.591 56.591 57.963 -1.372 25849 471 1 2 . 1 1 33 33 SER CB C 33 64.944 64.944 63.950 0.994 25849 472 1 2 . 1 1 34 34 LEU N N 34 121.555 121.555 123.441 -1.886 25849 473 1 2 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.069 -0.163 25849 474 1 2 . 1 1 34 34 LEU C C 34 179.869 179.869 178.920 0.949 25849 475 1 2 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.696 0.222 25849 476 1 2 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.002 1.383 25849 477 1 2 . 1 1 35 35 THR N N 35 113.629 113.629 113.171 0.458 25849 478 1 2 . 1 1 35 35 THR HA H 35 3.861 3.861 3.932 -0.071 25849 479 1 2 . 1 1 35 35 THR C C 35 176.846 176.846 176.149 0.697 25849 480 1 2 . 1 1 35 35 THR CA C 35 65.790 65.790 66.194 -0.403 25849 481 1 2 . 1 1 35 35 THR CB C 35 68.421 68.421 68.297 0.124 25849 482 1 2 . 1 1 36 36 GLU N N 36 122.918 122.918 121.520 1.398 25849 483 1 2 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.110 -0.199 25849 484 1 2 . 1 1 36 36 GLU C C 36 178.858 178.858 178.943 -0.085 25849 485 1 2 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.433 -0.586 25849 486 1 2 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.801 1.737 25849 487 1 2 . 1 1 37 37 ARG N N 37 119.042 119.042 118.720 0.322 25849 488 1 2 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.940 -0.256 25849 489 1 2 . 1 1 37 37 ARG C C 37 177.748 177.748 179.257 -1.509 25849 490 1 2 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.170 0.866 25849 491 1 2 . 1 1 37 37 ARG CB C 37 30.812 30.812 29.915 0.897 25849 492 1 2 . 1 1 38 38 SER N N 38 113.447 113.447 115.619 -2.172 25849 493 1 2 . 1 1 38 38 SER HA H 38 4.004 4.004 4.152 -0.148 25849 494 1 2 . 1 1 38 38 SER C C 38 176.517 176.517 176.386 0.131 25849 495 1 2 . 1 1 38 38 SER CA C 38 61.804 61.804 61.746 0.058 25849 496 1 2 . 1 1 38 38 SER CB C 38 62.810 62.810 63.005 -0.195 25849 497 1 2 . 1 1 39 39 GLN N N 39 121.739 121.739 120.886 0.853 25849 498 1 2 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.066 -0.019 25849 499 1 2 . 1 1 39 39 GLN C C 39 178.889 178.889 178.580 0.309 25849 500 1 2 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.152 -0.062 25849 501 1 2 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.936 -0.621 25849 502 1 2 . 1 1 40 40 ILE N N 40 121.471 121.471 115.468 6.003 25849 503 1 2 . 1 1 40 40 ILE HA H 40 3.837 3.837 4.000 -0.163 25849 504 1 2 . 1 1 40 40 ILE C C 40 176.844 176.844 176.273 0.571 25849 505 1 2 . 1 1 40 40 ILE CA C 40 64.398 64.398 60.706 3.692 25849 506 1 2 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.219 1.956 25849 507 1 2 . 1 1 41 41 ALA N N 41 121.897 121.897 121.812 0.085 25849 508 1 2 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.132 -0.538 25849 509 1 2 . 1 1 41 41 ALA C C 41 179.238 179.238 178.740 0.498 25849 510 1 2 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.366 1.560 25849 511 1 2 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.553 -1.969 25849 512 1 2 . 1 1 42 42 HIS N N 42 114.139 114.139 121.249 -7.110 25849 513 1 2 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.214 0.109 25849 514 1 2 . 1 1 42 42 HIS C C 42 178.003 178.003 177.844 0.159 25849 515 1 2 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.494 -0.749 25849 516 1 2 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.786 -1.024 25849 517 1 2 . 1 1 43 43 ALA N N 43 121.931 121.931 121.366 0.565 25849 518 1 2 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.037 -0.045 25849 519 1 2 . 1 1 43 43 ALA C C 43 179.235 179.235 177.812 1.423 25849 520 1 2 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.351 0.560 25849 521 1 2 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.628 -0.225 25849 522 1 2 . 1 1 44 44 LEU N N 44 114.067 114.067 114.432 -0.365 25849 523 1 2 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.476 -0.237 25849 524 1 2 . 1 1 44 44 LEU C C 44 175.891 175.891 176.115 -0.224 25849 525 1 2 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.686 0.550 25849 526 1 2 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.762 -0.182 25849 527 1 2 . 1 1 45 45 LYS N N 45 116.940 116.940 116.946 -0.006 25849 528 1 2 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.751 0.126 25849 529 1 2 . 1 1 45 45 LYS C C 45 175.207 175.207 176.108 -0.901 25849 530 1 2 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.791 -0.537 25849 531 1 2 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.115 -2.718 25849 532 1 2 . 1 1 46 46 LEU N N 46 119.505 119.505 118.443 1.062 25849 533 1 2 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.231 0.476 25849 534 1 2 . 1 1 46 46 LEU C C 46 175.958 175.958 175.865 0.093 25849 535 1 2 . 1 1 46 46 LEU CA C 46 52.339 52.339 55.029 -2.689 25849 536 1 2 . 1 1 46 46 LEU CB C 46 47.312 47.312 42.970 4.342 25849 537 1 2 . 1 1 47 47 SER N N 47 114.844 114.844 113.680 1.164 25849 538 1 2 . 1 1 47 47 SER HA H 47 4.641 4.641 4.668 -0.027 25849 539 1 2 . 1 1 47 47 SER C C 47 175.899 175.899 175.680 0.219 25849 540 1 2 . 1 1 47 47 SER CA C 47 56.675 56.675 57.449 -0.774 25849 541 1 2 . 1 1 47 47 SER CB C 47 64.911 64.911 64.277 0.634 25849 542 1 2 . 1 1 48 48 GLU N N 48 122.920 122.920 122.830 0.090 25849 543 1 2 . 1 1 48 48 GLU HA H 48 3.595 3.595 3.981 -0.386 25849 544 1 2 . 1 1 48 48 GLU C C 48 178.430 178.430 178.609 -0.179 25849 545 1 2 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.036 1.079 25849 546 1 2 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.323 -0.313 25849 547 1 2 . 1 1 49 49 VAL N N 49 118.053 118.053 118.918 -0.865 25849 548 1 2 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.792 -0.102 25849 549 1 2 . 1 1 49 49 VAL C C 49 177.001 177.001 178.360 -1.359 25849 550 1 2 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.203 -0.450 25849 551 1 2 . 1 1 49 49 VAL CB C 49 31.809 31.809 30.946 0.863 25849 552 1 2 . 1 1 50 50 GLN N N 50 119.121 119.121 118.387 0.734 25849 553 1 2 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.277 -0.203 25849 554 1 2 . 1 1 50 50 GLN C C 50 179.480 179.480 179.305 0.175 25849 555 1 2 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.408 0.846 25849 556 1 2 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.108 1.548 25849 557 1 2 . 1 1 51 51 VAL N N 51 118.983 118.983 121.062 -2.079 25849 558 1 2 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.890 -0.246 25849 559 1 2 . 1 1 51 51 VAL C C 51 176.652 176.652 177.935 -1.283 25849 560 1 2 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.405 0.016 25849 561 1 2 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.386 0.774 25849 562 1 2 . 1 1 52 52 LYS N N 52 120.962 120.962 120.576 0.386 25849 563 1 2 . 1 1 52 52 LYS HA H 52 4.167 4.167 3.963 0.204 25849 564 1 2 . 1 1 52 52 LYS C C 52 179.592 179.592 179.107 0.485 25849 565 1 2 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.925 0.023 25849 566 1 2 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.390 0.901 25849 567 1 2 . 1 1 53 53 ILE N N 53 120.085 120.085 118.820 1.265 25849 568 1 2 . 1 1 53 53 ILE HA H 53 3.735 3.735 4.117 -0.382 25849 569 1 2 . 1 1 53 53 ILE C C 53 177.452 177.452 178.398 -0.946 25849 570 1 2 . 1 1 53 53 ILE CA C 53 64.226 64.226 62.746 1.480 25849 571 1 2 . 1 1 53 53 ILE CB C 53 38.026 38.026 36.582 1.444 25849 572 1 2 . 1 1 54 54 TRP N N 54 122.169 122.169 122.597 -0.428 25849 573 1 2 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.058 -0.071 25849 574 1 2 . 1 1 54 54 TRP C C 54 179.143 179.143 178.209 0.934 25849 575 1 2 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.145 1.447 25849 576 1 2 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.384 -0.444 25849 577 1 2 . 1 1 55 55 PHE N N 55 118.530 118.530 118.433 0.097 25849 578 1 2 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.133 -0.479 25849 579 1 2 . 1 1 55 55 PHE C C 55 177.833 177.833 178.112 -0.279 25849 580 1 2 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.016 0.186 25849 581 1 2 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.695 0.844 25849 582 1 2 . 1 1 56 56 GLN N N 56 118.313 118.313 117.613 0.700 25849 583 1 2 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.028 -0.139 25849 584 1 2 . 1 1 56 56 GLN C C 56 179.052 179.052 177.787 1.265 25849 585 1 2 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.875 0.610 25849 586 1 2 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.126 0.443 25849 587 1 2 . 1 1 57 57 ASN N N 57 119.607 119.607 117.812 1.795 25849 588 1 2 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.401 -0.120 25849 589 1 2 . 1 1 57 57 ASN C C 57 177.385 177.385 177.173 0.212 25849 590 1 2 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.288 -0.896 25849 591 1 2 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.670 -0.838 25849 592 1 2 . 1 1 58 58 GLU N N 58 124.516 124.516 120.742 3.774 25849 593 1 2 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.818 -0.457 25849 594 1 2 . 1 1 58 58 GLU C C 58 179.522 179.522 178.553 0.969 25849 595 1 2 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.411 -0.124 25849 596 1 2 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.999 -1.467 25849 597 1 2 . 1 1 59 59 ARG N N 59 118.692 118.692 118.667 0.025 25849 598 1 2 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.446 -0.305 25849 599 1 2 . 1 1 59 59 ARG C C 59 178.813 178.813 177.285 1.528 25849 600 1 2 . 1 1 59 59 ARG CA C 59 60.913 60.913 58.339 2.574 25849 601 1 2 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.245 1.446 25849 602 1 2 . 1 1 60 60 ALA N N 60 120.662 120.662 121.546 -0.884 25849 603 1 2 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.417 -0.334 25849 604 1 2 . 1 1 60 60 ALA C C 60 179.753 179.753 178.327 1.426 25849 605 1 2 . 1 1 60 60 ALA CA C 60 54.800 54.800 53.532 1.268 25849 606 1 2 . 1 1 60 60 ALA CB C 60 17.898 17.898 19.635 -1.737 25849 607 1 2 . 1 1 61 61 LYS N N 61 118.620 118.620 120.543 -1.923 25849 608 1 2 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.954 -0.113 25849 609 1 2 . 1 1 61 61 LYS C C 61 177.994 177.994 178.619 -0.625 25849 610 1 2 . 1 1 61 61 LYS CA C 61 58.772 58.772 59.359 -0.587 25849 611 1 2 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.349 0.146 25849 612 1 2 . 1 1 62 62 TRP N N 62 120.517 120.517 121.007 -0.490 25849 613 1 2 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.334 -0.007 25849 614 1 2 . 1 1 62 62 TRP C C 62 177.118 177.118 177.997 -0.879 25849 615 1 2 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.559 -2.223 25849 616 1 2 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.906 -0.787 25849 617 1 2 . 1 1 63 63 LYS N N 63 119.074 119.074 116.484 2.590 25849 618 1 2 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.206 -0.411 25849 619 1 2 . 1 1 63 63 LYS C C 63 177.429 177.429 177.733 -0.304 25849 620 1 2 . 1 1 63 63 LYS CA C 63 58.089 58.089 58.750 -0.661 25849 621 1 2 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.151 0.594 25849 622 1 2 . 1 1 64 64 ARG N N 64 118.825 118.825 117.269 1.556 25849 623 1 2 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.201 -0.117 25849 624 1 2 . 1 1 64 64 ARG C C 64 177.231 177.231 177.977 -0.746 25849 625 1 2 . 1 1 64 64 ARG CA C 64 57.470 57.470 57.287 0.183 25849 626 1 2 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.561 -0.283 25849 627 1 2 . 1 1 65 65 ILE N N 65 120.523 120.523 120.354 0.169 25849 628 1 2 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.614 0.259 25849 629 1 2 . 1 1 65 65 ILE C C 65 177.198 177.198 176.623 0.575 25849 630 1 2 . 1 1 65 65 ILE CA C 65 62.392 62.392 63.110 -0.718 25849 631 1 2 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.912 0.486 25849 632 1 2 . 1 1 66 66 LYS N N 66 123.201 123.201 117.164 6.037 25849 633 1 2 . 1 1 66 66 LYS HA H 66 4.073 4.073 3.713 0.360 25849 634 1 2 . 1 1 66 66 LYS C C 66 176.387 176.387 177.227 -0.840 25849 635 1 2 . 1 1 66 66 LYS CA C 66 56.625 56.625 57.620 -0.995 25849 636 1 2 . 1 1 66 66 LYS CB C 66 32.364 32.364 32.076 0.288 25849 637 1 2 . 1 1 67 67 ALA N N 67 123.500 123.500 122.198 1.302 25849 638 1 2 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.086 0.116 25849 639 1 2 . 1 1 67 67 ALA C C 67 177.870 177.870 177.830 0.040 25849 640 1 2 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.117 -1.534 25849 641 1 2 . 1 1 67 67 ALA CB C 67 19.086 19.086 18.925 0.161 25849 642 1 2 . 1 1 68 68 GLY N N 68 107.120 107.120 105.461 1.659 25849 643 1 2 . 1 1 68 68 GLY C C 68 173.688 173.688 174.034 -0.346 25849 644 1 2 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.995 0.353 25849 645 1 2 . 1 1 69 69 ASN N N 69 118.671 118.671 119.458 -0.787 25849 646 1 2 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.853 -0.170 25849 647 1 2 . 1 1 69 69 ASN C C 69 174.792 174.792 175.939 -1.147 25849 648 1 2 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.283 0.726 25849 649 1 2 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.133 -0.069 25849 650 1 2 . 1 1 70 70 VAL N N 70 119.480 119.480 119.427 0.053 25849 651 1 2 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.978 0.152 25849 652 1 2 . 1 1 70 70 VAL C C 70 175.126 175.126 175.408 -0.282 25849 653 1 2 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.331 -1.240 25849 654 1 2 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.494 1.369 25849 655 1 3 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.436 -0.071 25849 656 1 3 . 1 1 3 3 PRO C C 3 177.410 177.410 177.201 0.209 25849 657 1 3 . 1 1 3 3 PRO CA C 3 63.261 63.261 63.052 0.209 25849 658 1 3 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.224 -0.442 25849 659 1 3 . 1 1 4 4 GLY N N 4 109.481 109.481 107.682 1.799 25849 660 1 3 . 1 1 4 4 GLY C C 4 173.688 173.688 174.171 -0.483 25849 661 1 3 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.499 -0.424 25849 662 1 3 . 1 1 5 5 GLY N N 5 108.665 108.665 110.478 -1.813 25849 663 1 3 . 1 1 5 5 GLY C C 5 174.231 174.231 174.824 -0.593 25849 664 1 3 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.244 0.138 25849 665 1 3 . 1 1 6 6 LYS N N 6 120.860 120.860 126.611 -5.751 25849 666 1 3 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.504 -0.248 25849 667 1 3 . 1 1 6 6 LYS C C 6 176.715 176.715 175.521 1.194 25849 668 1 3 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.700 0.592 25849 669 1 3 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.091 0.715 25849 670 1 3 . 1 1 7 7 SER N N 7 116.762 116.762 115.050 1.712 25849 671 1 3 . 1 1 7 7 SER HA H 7 4.344 4.344 4.518 -0.174 25849 672 1 3 . 1 1 7 7 SER C C 7 174.437 174.437 173.923 0.514 25849 673 1 3 . 1 1 7 7 SER CA C 7 58.373 58.373 57.737 0.636 25849 674 1 3 . 1 1 7 7 SER CB C 7 63.557 63.557 63.660 -0.103 25849 675 1 3 . 1 1 8 8 ARG N N 8 123.315 123.315 124.447 -1.132 25849 676 1 3 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.321 -0.058 25849 677 1 3 . 1 1 8 8 ARG C C 8 176.017 176.017 175.869 0.148 25849 678 1 3 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.210 -0.259 25849 679 1 3 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.330 0.203 25849 680 1 3 . 1 1 9 9 ARG N N 9 122.423 122.423 124.337 -1.914 25849 681 1 3 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.356 -0.128 25849 682 1 3 . 1 1 9 9 ARG C C 9 176.001 176.001 175.763 0.238 25849 683 1 3 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.047 0.889 25849 684 1 3 . 1 1 9 9 ARG CB C 9 30.625 30.625 30.941 -0.316 25849 685 1 3 . 1 1 10 10 ARG N N 10 123.297 123.297 121.382 1.915 25849 686 1 3 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.002 0.247 25849 687 1 3 . 1 1 10 10 ARG C C 10 176.008 176.008 175.289 0.719 25849 688 1 3 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.386 -0.520 25849 689 1 3 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.752 0.965 25849 690 1 3 . 1 1 11 11 ARG N N 11 123.308 123.308 122.471 0.837 25849 691 1 3 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.229 0.083 25849 692 1 3 . 1 1 11 11 ARG C C 11 176.115 176.115 175.983 0.132 25849 693 1 3 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.941 -0.862 25849 694 1 3 . 1 1 11 11 ARG CB C 11 30.783 30.783 29.683 1.100 25849 695 1 3 . 1 1 12 12 THR N N 12 116.294 116.294 121.751 -5.457 25849 696 1 3 . 1 1 12 12 THR HA H 12 4.193 4.193 4.479 -0.286 25849 697 1 3 . 1 1 12 12 THR C C 12 173.498 173.498 173.440 0.058 25849 698 1 3 . 1 1 12 12 THR CA C 12 61.491 61.491 62.055 -0.564 25849 699 1 3 . 1 1 12 12 THR CB C 12 69.706 69.706 69.025 0.681 25849 700 1 3 . 1 1 13 13 ALA N N 13 127.117 127.117 121.228 5.889 25849 701 1 3 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.174 0.047 25849 702 1 3 . 1 1 13 13 ALA C C 13 176.874 176.874 176.826 0.048 25849 703 1 3 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.492 -0.469 25849 704 1 3 . 1 1 13 13 ALA CB C 13 19.632 19.632 17.784 1.849 25849 705 1 3 . 1 1 14 14 PHE N N 14 118.798 118.798 118.722 0.076 25849 706 1 3 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.842 0.050 25849 707 1 3 . 1 1 14 14 PHE C C 14 176.653 176.653 177.434 -0.781 25849 708 1 3 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.368 -0.234 25849 709 1 3 . 1 1 14 14 PHE CB C 14 40.512 40.512 39.852 0.660 25849 710 1 3 . 1 1 15 15 THR N N 15 113.522 113.522 116.653 -3.131 25849 711 1 3 . 1 1 15 15 THR HA H 15 4.426 4.426 4.501 -0.075 25849 712 1 3 . 1 1 15 15 THR C C 15 175.371 175.371 175.754 -0.383 25849 713 1 3 . 1 1 15 15 THR CA C 15 60.434 60.434 61.516 -1.082 25849 714 1 3 . 1 1 15 15 THR CB C 15 70.826 70.826 70.083 0.743 25849 715 1 3 . 1 1 16 16 SER N N 16 116.611 116.611 116.077 0.534 25849 716 1 3 . 1 1 16 16 SER HA H 16 3.862 3.862 4.052 -0.190 25849 717 1 3 . 1 1 16 16 SER C C 16 176.742 176.742 176.852 -0.110 25849 718 1 3 . 1 1 16 16 SER CA C 16 62.165 62.165 61.895 0.270 25849 719 1 3 . 1 1 16 16 SER CB C 16 61.908 61.908 62.587 -0.679 25849 720 1 3 . 1 1 17 17 GLU N N 17 120.901 120.901 120.788 0.113 25849 721 1 3 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.933 0.010 25849 722 1 3 . 1 1 17 17 GLU C C 17 178.802 178.802 178.521 0.281 25849 723 1 3 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.621 0.460 25849 724 1 3 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.293 -0.186 25849 725 1 3 . 1 1 18 18 GLN N N 18 118.523 118.523 117.428 1.095 25849 726 1 3 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.951 -0.205 25849 727 1 3 . 1 1 18 18 GLN C C 18 177.493 177.493 178.571 -1.078 25849 728 1 3 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.251 0.633 25849 729 1 3 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.682 -0.624 25849 730 1 3 . 1 1 19 19 LEU N N 19 117.349 117.349 118.912 -1.563 25849 731 1 3 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.817 -0.285 25849 732 1 3 . 1 1 19 19 LEU C C 19 178.289 178.289 178.363 -0.074 25849 733 1 3 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.692 1.027 25849 734 1 3 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.838 0.152 25849 735 1 3 . 1 1 20 20 LEU N N 20 118.800 118.800 120.636 -1.836 25849 736 1 3 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.950 -0.078 25849 737 1 3 . 1 1 20 20 LEU C C 20 179.808 179.808 178.494 1.314 25849 738 1 3 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.909 0.423 25849 739 1 3 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.945 0.059 25849 740 1 3 . 1 1 21 21 GLU N N 21 118.036 118.036 118.487 -0.451 25849 741 1 3 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.990 0.047 25849 742 1 3 . 1 1 21 21 GLU C C 21 175.996 175.996 179.322 -3.326 25849 743 1 3 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.342 -0.932 25849 744 1 3 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.042 0.771 25849 745 1 3 . 1 1 22 22 LEU N N 22 121.854 121.854 119.393 2.461 25849 746 1 3 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.931 -0.445 25849 747 1 3 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.981 0.274 25849 748 1 3 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.959 -2.524 25849 749 1 3 . 1 1 23 23 ARG N N 23 116.956 116.956 118.273 -1.317 25849 750 1 3 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.050 -0.125 25849 751 1 3 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.305 0.843 25849 752 1 3 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.136 -0.125 25849 753 1 3 . 1 1 24 24 LYS N N 24 121.392 121.392 120.256 1.136 25849 754 1 3 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.142 -0.161 25849 755 1 3 . 1 1 24 24 LYS CA C 24 59.709 59.709 60.139 -0.430 25849 756 1 3 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.291 0.151 25849 757 1 3 . 1 1 25 25 GLU N N 25 119.698 119.698 120.356 -0.658 25849 758 1 3 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.255 -0.015 25849 759 1 3 . 1 1 25 25 GLU C C 25 178.495 178.495 178.599 -0.104 25849 760 1 3 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.785 -0.021 25849 761 1 3 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.585 -0.870 25849 762 1 3 . 1 1 26 26 PHE N N 26 121.062 121.062 118.113 2.949 25849 763 1 3 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.422 0.209 25849 764 1 3 . 1 1 26 26 PHE C C 26 176.071 176.071 175.921 0.150 25849 765 1 3 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.129 -0.299 25849 766 1 3 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.294 0.287 25849 767 1 3 . 1 1 27 27 HIS N N 27 115.944 115.944 116.270 -0.326 25849 768 1 3 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.612 -0.578 25849 769 1 3 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.523 0.708 25849 770 1 3 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.123 -1.027 25849 771 1 3 . 1 1 28 28 CYS N N 28 113.854 113.854 115.034 -1.180 25849 772 1 3 . 1 1 28 28 CYS C C 28 175.913 175.913 174.600 1.313 25849 773 1 3 . 1 1 28 28 CYS CA C 28 51.047 51.047 58.139 -7.092 25849 774 1 3 . 1 1 28 28 CYS CB C 28 49.898 49.898 31.329 18.569 25849 775 1 3 . 1 1 29 29 LYS N N 29 121.350 121.350 121.885 -0.535 25849 776 1 3 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.390 -0.126 25849 777 1 3 . 1 1 29 29 LYS C C 29 172.365 172.365 176.334 -3.969 25849 778 1 3 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.204 0.868 25849 779 1 3 . 1 1 29 29 LYS CB C 29 35.073 35.073 35.084 -0.011 25849 780 1 3 . 1 1 30 30 LYS N N 30 117.744 117.744 122.686 -4.942 25849 781 1 3 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.088 -0.372 25849 782 1 3 . 1 1 30 30 LYS C C 30 174.932 174.932 175.502 -0.570 25849 783 1 3 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.484 -1.556 25849 784 1 3 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.680 -0.132 25849 785 1 3 . 1 1 31 31 TYR N N 31 113.437 113.437 115.567 -2.130 25849 786 1 3 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.740 -0.240 25849 787 1 3 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.445 -0.051 25849 788 1 3 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.380 1.781 25849 789 1 3 . 1 1 32 32 LEU N N 32 122.416 122.416 123.481 -1.065 25849 790 1 3 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.371 0.250 25849 791 1 3 . 1 1 32 32 LEU C C 32 177.448 177.448 176.552 0.896 25849 792 1 3 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.609 -1.824 25849 793 1 3 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.170 1.529 25849 794 1 3 . 1 1 33 33 SER N N 33 119.021 119.021 115.969 3.052 25849 795 1 3 . 1 1 33 33 SER HA H 33 4.495 4.495 4.714 -0.219 25849 796 1 3 . 1 1 33 33 SER C C 33 174.599 174.599 175.639 -1.040 25849 797 1 3 . 1 1 33 33 SER CA C 33 56.591 56.591 57.288 -0.697 25849 798 1 3 . 1 1 33 33 SER CB C 33 64.944 64.944 64.862 0.082 25849 799 1 3 . 1 1 34 34 LEU N N 34 121.555 121.555 123.447 -1.892 25849 800 1 3 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.179 -0.273 25849 801 1 3 . 1 1 34 34 LEU C C 34 179.869 179.869 178.587 1.282 25849 802 1 3 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.304 0.614 25849 803 1 3 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.294 1.091 25849 804 1 3 . 1 1 35 35 THR N N 35 113.629 113.629 114.784 -1.155 25849 805 1 3 . 1 1 35 35 THR HA H 35 3.861 3.861 3.992 -0.131 25849 806 1 3 . 1 1 35 35 THR C C 35 176.846 176.846 176.380 0.466 25849 807 1 3 . 1 1 35 35 THR CA C 35 65.790 65.790 66.110 -0.320 25849 808 1 3 . 1 1 35 35 THR CB C 35 68.421 68.421 68.022 0.399 25849 809 1 3 . 1 1 36 36 GLU N N 36 122.918 122.918 121.838 1.080 25849 810 1 3 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.031 -0.120 25849 811 1 3 . 1 1 36 36 GLU C C 36 178.858 178.858 179.043 -0.185 25849 812 1 3 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.777 -0.930 25849 813 1 3 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.815 1.723 25849 814 1 3 . 1 1 37 37 ARG N N 37 119.042 119.042 118.489 0.553 25849 815 1 3 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.072 -0.388 25849 816 1 3 . 1 1 37 37 ARG C C 37 177.748 177.748 178.783 -1.035 25849 817 1 3 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.029 1.007 25849 818 1 3 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.288 0.524 25849 819 1 3 . 1 1 38 38 SER N N 38 113.447 113.447 115.182 -1.735 25849 820 1 3 . 1 1 38 38 SER HA H 38 4.004 4.004 4.297 -0.293 25849 821 1 3 . 1 1 38 38 SER C C 38 176.517 176.517 176.533 -0.016 25849 822 1 3 . 1 1 38 38 SER CA C 38 61.804 61.804 61.677 0.127 25849 823 1 3 . 1 1 38 38 SER CB C 38 62.810 62.810 62.858 -0.047 25849 824 1 3 . 1 1 39 39 GLN N N 39 121.739 121.739 120.914 0.825 25849 825 1 3 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.063 -0.016 25849 826 1 3 . 1 1 39 39 GLN C C 39 178.889 178.889 178.547 0.342 25849 827 1 3 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.242 -0.152 25849 828 1 3 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.768 -0.453 25849 829 1 3 . 1 1 40 40 ILE N N 40 121.471 121.471 115.934 5.537 25849 830 1 3 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.975 -0.139 25849 831 1 3 . 1 1 40 40 ILE C C 40 176.844 176.844 176.578 0.266 25849 832 1 3 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.171 3.227 25849 833 1 3 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.182 1.992 25849 834 1 3 . 1 1 41 41 ALA N N 41 121.897 121.897 122.462 -0.565 25849 835 1 3 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.193 -0.599 25849 836 1 3 . 1 1 41 41 ALA C C 41 179.238 179.238 178.625 0.613 25849 837 1 3 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.319 1.607 25849 838 1 3 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.491 -1.907 25849 839 1 3 . 1 1 42 42 HIS N N 42 114.139 114.139 121.120 -6.981 25849 840 1 3 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.254 0.069 25849 841 1 3 . 1 1 42 42 HIS C C 42 178.003 178.003 178.048 -0.045 25849 842 1 3 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.592 -0.847 25849 843 1 3 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.892 -1.130 25849 844 1 3 . 1 1 43 43 ALA N N 43 121.931 121.931 121.948 -0.017 25849 845 1 3 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.050 -0.058 25849 846 1 3 . 1 1 43 43 ALA C C 43 179.235 179.235 178.224 1.011 25849 847 1 3 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.472 0.439 25849 848 1 3 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.528 -0.125 25849 849 1 3 . 1 1 44 44 LEU N N 44 114.067 114.067 116.576 -2.509 25849 850 1 3 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.534 -0.295 25849 851 1 3 . 1 1 44 44 LEU C C 44 175.891 175.891 176.559 -0.668 25849 852 1 3 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.562 0.674 25849 853 1 3 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.695 -0.115 25849 854 1 3 . 1 1 45 45 LYS N N 45 116.940 116.940 116.327 0.613 25849 855 1 3 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.882 -0.005 25849 856 1 3 . 1 1 45 45 LYS C C 45 175.207 175.207 175.858 -0.651 25849 857 1 3 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.374 -0.120 25849 858 1 3 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.484 -3.087 25849 859 1 3 . 1 1 46 46 LEU N N 46 119.505 119.505 119.616 -0.111 25849 860 1 3 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.358 0.349 25849 861 1 3 . 1 1 46 46 LEU C C 46 175.958 175.958 176.547 -0.589 25849 862 1 3 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.571 -2.232 25849 863 1 3 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.065 4.247 25849 864 1 3 . 1 1 47 47 SER N N 47 114.844 114.844 115.084 -0.240 25849 865 1 3 . 1 1 47 47 SER HA H 47 4.641 4.641 4.584 0.057 25849 866 1 3 . 1 1 47 47 SER C C 47 175.899 175.899 176.072 -0.173 25849 867 1 3 . 1 1 47 47 SER CA C 47 56.675 56.675 58.223 -1.548 25849 868 1 3 . 1 1 47 47 SER CB C 47 64.911 64.911 64.195 0.716 25849 869 1 3 . 1 1 48 48 GLU N N 48 122.920 122.920 123.429 -0.509 25849 870 1 3 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.003 -0.408 25849 871 1 3 . 1 1 48 48 GLU C C 48 178.430 178.430 178.781 -0.351 25849 872 1 3 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.322 0.793 25849 873 1 3 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.379 -0.369 25849 874 1 3 . 1 1 49 49 VAL N N 49 118.053 118.053 119.279 -1.226 25849 875 1 3 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.801 -0.111 25849 876 1 3 . 1 1 49 49 VAL C C 49 177.001 177.001 178.409 -1.408 25849 877 1 3 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.270 -0.517 25849 878 1 3 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.208 0.601 25849 879 1 3 . 1 1 50 50 GLN N N 50 119.121 119.121 118.202 0.919 25849 880 1 3 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.211 -0.137 25849 881 1 3 . 1 1 50 50 GLN C C 50 179.480 179.480 179.033 0.447 25849 882 1 3 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.538 0.716 25849 883 1 3 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.134 1.522 25849 884 1 3 . 1 1 51 51 VAL N N 51 118.983 118.983 120.364 -1.381 25849 885 1 3 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.024 -0.380 25849 886 1 3 . 1 1 51 51 VAL C C 51 176.652 176.652 177.889 -1.237 25849 887 1 3 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.480 -0.059 25849 888 1 3 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.384 0.776 25849 889 1 3 . 1 1 52 52 LYS N N 52 120.962 120.962 121.034 -0.072 25849 890 1 3 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.143 0.024 25849 891 1 3 . 1 1 52 52 LYS C C 52 179.592 179.592 179.409 0.183 25849 892 1 3 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.821 0.127 25849 893 1 3 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.145 1.146 25849 894 1 3 . 1 1 53 53 ILE N N 53 120.085 120.085 119.638 0.447 25849 895 1 3 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.857 -0.122 25849 896 1 3 . 1 1 53 53 ILE C C 53 177.452 177.452 177.749 -0.297 25849 897 1 3 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.910 -0.684 25849 898 1 3 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.821 0.205 25849 899 1 3 . 1 1 54 54 TRP N N 54 122.169 122.169 123.000 -0.831 25849 900 1 3 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.062 -0.075 25849 901 1 3 . 1 1 54 54 TRP C C 54 179.143 179.143 178.033 1.110 25849 902 1 3 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.917 1.675 25849 903 1 3 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.375 -0.435 25849 904 1 3 . 1 1 55 55 PHE N N 55 118.530 118.530 117.395 1.135 25849 905 1 3 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.232 -0.578 25849 906 1 3 . 1 1 55 55 PHE C C 55 177.833 177.833 177.966 -0.133 25849 907 1 3 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.912 0.290 25849 908 1 3 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.087 0.452 25849 909 1 3 . 1 1 56 56 GLN N N 56 118.313 118.313 118.894 -0.581 25849 910 1 3 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.987 -0.098 25849 911 1 3 . 1 1 56 56 GLN C C 56 179.052 179.052 177.996 1.056 25849 912 1 3 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.259 0.226 25849 913 1 3 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.289 0.280 25849 914 1 3 . 1 1 57 57 ASN N N 57 119.607 119.607 119.300 0.307 25849 915 1 3 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.368 -0.087 25849 916 1 3 . 1 1 57 57 ASN C C 57 177.385 177.385 177.615 -0.230 25849 917 1 3 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.562 -1.169 25849 918 1 3 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.386 -0.553 25849 919 1 3 . 1 1 58 58 GLU N N 58 124.516 124.516 120.595 3.921 25849 920 1 3 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.840 -0.479 25849 921 1 3 . 1 1 58 58 GLU C C 58 179.522 179.522 178.373 1.149 25849 922 1 3 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.972 -0.685 25849 923 1 3 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.920 -1.388 25849 924 1 3 . 1 1 59 59 ARG N N 59 118.692 118.692 119.639 -0.947 25849 925 1 3 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.470 -0.330 25849 926 1 3 . 1 1 59 59 ARG C C 59 178.813 178.813 178.692 0.121 25849 927 1 3 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.454 1.459 25849 928 1 3 . 1 1 59 59 ARG CB C 59 31.691 31.691 29.922 1.769 25849 929 1 3 . 1 1 60 60 ALA N N 60 120.662 120.662 122.696 -2.034 25849 930 1 3 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.143 -0.060 25849 931 1 3 . 1 1 60 60 ALA C C 60 179.753 179.753 179.235 0.518 25849 932 1 3 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.981 -0.181 25849 933 1 3 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.384 -0.486 25849 934 1 3 . 1 1 61 61 LYS N N 61 118.620 118.620 118.508 0.112 25849 935 1 3 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.981 -0.140 25849 936 1 3 . 1 1 61 61 LYS C C 61 177.994 177.994 178.629 -0.635 25849 937 1 3 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.464 0.308 25849 938 1 3 . 1 1 61 61 LYS CB C 61 32.495 32.495 31.837 0.658 25849 939 1 3 . 1 1 62 62 TRP N N 62 120.517 120.517 120.878 -0.361 25849 940 1 3 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.563 -0.236 25849 941 1 3 . 1 1 62 62 TRP C C 62 177.118 177.118 178.379 -1.261 25849 942 1 3 . 1 1 62 62 TRP CA C 62 59.336 59.336 59.766 -0.430 25849 943 1 3 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.689 -1.570 25849 944 1 3 . 1 1 63 63 LYS N N 63 119.074 119.074 120.575 -1.501 25849 945 1 3 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.085 -0.290 25849 946 1 3 . 1 1 63 63 LYS C C 63 177.429 177.429 179.258 -1.829 25849 947 1 3 . 1 1 63 63 LYS CA C 63 58.089 58.089 60.043 -1.954 25849 948 1 3 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.230 0.515 25849 949 1 3 . 1 1 64 64 ARG N N 64 118.825 118.825 117.242 1.583 25849 950 1 3 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.088 -0.004 25849 951 1 3 . 1 1 64 64 ARG C C 64 177.231 177.231 177.957 -0.726 25849 952 1 3 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.295 -0.826 25849 953 1 3 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.880 0.398 25849 954 1 3 . 1 1 65 65 ILE N N 65 120.523 120.523 118.451 2.072 25849 955 1 3 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.778 0.095 25849 956 1 3 . 1 1 65 65 ILE C C 65 177.198 177.198 176.392 0.806 25849 957 1 3 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.120 0.272 25849 958 1 3 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.394 1.004 25849 959 1 3 . 1 1 66 66 LYS N N 66 123.201 123.201 121.325 1.876 25849 960 1 3 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.160 -0.087 25849 961 1 3 . 1 1 66 66 LYS C C 66 176.387 176.387 176.517 -0.130 25849 962 1 3 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.098 0.527 25849 963 1 3 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.061 2.303 25849 964 1 3 . 1 1 67 67 ALA N N 67 123.500 123.500 125.577 -2.077 25849 965 1 3 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.142 0.060 25849 966 1 3 . 1 1 67 67 ALA C C 67 177.870 177.870 178.037 -0.167 25849 967 1 3 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.047 -1.464 25849 968 1 3 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.337 -0.251 25849 969 1 3 . 1 1 68 68 GLY N N 68 107.120 107.120 104.041 3.079 25849 970 1 3 . 1 1 68 68 GLY C C 68 173.688 173.688 174.171 -0.483 25849 971 1 3 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.135 0.213 25849 972 1 3 . 1 1 69 69 ASN N N 69 118.671 118.671 117.292 1.379 25849 973 1 3 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.842 -0.159 25849 974 1 3 . 1 1 69 69 ASN C C 69 174.792 174.792 176.430 -1.638 25849 975 1 3 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.362 -0.353 25849 976 1 3 . 1 1 69 69 ASN CB C 69 39.064 39.064 38.962 0.101 25849 977 1 3 . 1 1 70 70 VAL N N 70 119.480 119.480 119.359 0.121 25849 978 1 3 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.968 0.162 25849 979 1 3 . 1 1 70 70 VAL C C 70 175.126 175.126 175.680 -0.554 25849 980 1 3 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.984 -1.893 25849 981 1 3 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.028 0.835 25849 982 1 4 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.536 -0.171 25849 983 1 4 . 1 1 3 3 PRO C C 3 177.410 177.410 176.385 1.025 25849 984 1 4 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.399 0.862 25849 985 1 4 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.658 -0.876 25849 986 1 4 . 1 1 4 4 GLY N N 4 109.481 109.481 105.085 4.396 25849 987 1 4 . 1 1 4 4 GLY C C 4 173.688 173.688 174.411 -0.723 25849 988 1 4 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.789 0.286 25849 989 1 4 . 1 1 5 5 GLY N N 5 108.665 108.665 108.112 0.553 25849 990 1 4 . 1 1 5 5 GLY C C 5 174.231 174.231 174.529 -0.298 25849 991 1 4 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.180 1.202 25849 992 1 4 . 1 1 6 6 LYS N N 6 120.860 120.860 118.101 2.759 25849 993 1 4 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.067 0.189 25849 994 1 4 . 1 1 6 6 LYS C C 6 176.715 176.715 175.225 1.490 25849 995 1 4 . 1 1 6 6 LYS CA C 6 56.292 56.292 57.262 -0.970 25849 996 1 4 . 1 1 6 6 LYS CB C 6 32.806 32.806 30.319 2.487 25849 997 1 4 . 1 1 7 7 SER N N 7 116.762 116.762 112.572 4.190 25849 998 1 4 . 1 1 7 7 SER HA H 7 4.344 4.344 4.657 -0.313 25849 999 1 4 . 1 1 7 7 SER C C 7 174.437 174.437 173.713 0.724 25849 1000 1 4 . 1 1 7 7 SER CA C 7 58.373 58.373 57.393 0.980 25849 1001 1 4 . 1 1 7 7 SER CB C 7 63.557 63.557 65.565 -2.008 25849 1002 1 4 . 1 1 8 8 ARG N N 8 123.315 123.315 120.738 2.577 25849 1003 1 4 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.603 -0.340 25849 1004 1 4 . 1 1 8 8 ARG C C 8 176.017 176.017 176.003 0.014 25849 1005 1 4 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.631 0.320 25849 1006 1 4 . 1 1 8 8 ARG CB C 8 30.533 30.533 31.843 -1.310 25849 1007 1 4 . 1 1 9 9 ARG N N 9 122.423 122.423 121.861 0.562 25849 1008 1 4 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.451 -0.223 25849 1009 1 4 . 1 1 9 9 ARG C C 9 176.001 176.001 175.619 0.382 25849 1010 1 4 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.678 0.258 25849 1011 1 4 . 1 1 9 9 ARG CB C 9 30.625 30.625 30.577 0.048 25849 1012 1 4 . 1 1 10 10 ARG N N 10 123.297 123.297 123.332 -0.035 25849 1013 1 4 . 1 1 10 10 ARG HA H 10 4.249 4.249 3.890 0.359 25849 1014 1 4 . 1 1 10 10 ARG C C 10 176.008 176.008 175.279 0.729 25849 1015 1 4 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.979 -1.113 25849 1016 1 4 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.820 0.896 25849 1017 1 4 . 1 1 11 11 ARG N N 11 123.308 123.308 122.753 0.555 25849 1018 1 4 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.683 -0.371 25849 1019 1 4 . 1 1 11 11 ARG C C 11 176.115 176.115 174.803 1.312 25849 1020 1 4 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.569 0.510 25849 1021 1 4 . 1 1 11 11 ARG CB C 11 30.783 30.783 29.268 1.515 25849 1022 1 4 . 1 1 12 12 THR N N 12 116.294 116.294 115.308 0.986 25849 1023 1 4 . 1 1 12 12 THR HA H 12 4.193 4.193 4.524 -0.331 25849 1024 1 4 . 1 1 12 12 THR C C 12 173.498 173.498 173.625 -0.127 25849 1025 1 4 . 1 1 12 12 THR CA C 12 61.491 61.491 61.084 0.407 25849 1026 1 4 . 1 1 12 12 THR CB C 12 69.706 69.706 71.279 -1.573 25849 1027 1 4 . 1 1 13 13 ALA N N 13 127.117 127.117 125.723 1.394 25849 1028 1 4 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.496 -0.275 25849 1029 1 4 . 1 1 13 13 ALA C C 13 176.874 176.874 176.889 -0.015 25849 1030 1 4 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.418 -0.395 25849 1031 1 4 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.044 1.588 25849 1032 1 4 . 1 1 14 14 PHE N N 14 118.798 118.798 121.713 -2.915 25849 1033 1 4 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.118 -0.226 25849 1034 1 4 . 1 1 14 14 PHE C C 14 176.653 176.653 176.109 0.544 25849 1035 1 4 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.044 1.090 25849 1036 1 4 . 1 1 14 14 PHE CB C 14 40.512 40.512 41.412 -0.900 25849 1037 1 4 . 1 1 15 15 THR N N 15 113.522 113.522 116.789 -3.267 25849 1038 1 4 . 1 1 15 15 THR HA H 15 4.426 4.426 4.495 -0.069 25849 1039 1 4 . 1 1 15 15 THR C C 15 175.371 175.371 175.963 -0.592 25849 1040 1 4 . 1 1 15 15 THR CA C 15 60.434 60.434 60.981 -0.547 25849 1041 1 4 . 1 1 15 15 THR CB C 15 70.826 70.826 70.154 0.672 25849 1042 1 4 . 1 1 16 16 SER N N 16 116.611 116.611 116.107 0.504 25849 1043 1 4 . 1 1 16 16 SER HA H 16 3.862 3.862 4.153 -0.291 25849 1044 1 4 . 1 1 16 16 SER C C 16 176.742 176.742 175.611 1.131 25849 1045 1 4 . 1 1 16 16 SER CA C 16 62.165 62.165 61.839 0.327 25849 1046 1 4 . 1 1 16 16 SER CB C 16 61.908 61.908 62.789 -0.881 25849 1047 1 4 . 1 1 17 17 GLU N N 17 120.901 120.901 119.646 1.255 25849 1048 1 4 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.116 -0.173 25849 1049 1 4 . 1 1 17 17 GLU C C 17 178.802 178.802 178.960 -0.158 25849 1050 1 4 . 1 1 17 17 GLU CA C 17 60.081 60.081 58.909 1.172 25849 1051 1 4 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.665 -0.559 25849 1052 1 4 . 1 1 18 18 GLN N N 18 118.523 118.523 118.627 -0.104 25849 1053 1 4 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.086 -0.340 25849 1054 1 4 . 1 1 18 18 GLN C C 18 177.493 177.493 178.641 -1.148 25849 1055 1 4 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.154 0.730 25849 1056 1 4 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.835 -0.777 25849 1057 1 4 . 1 1 19 19 LEU N N 19 117.349 117.349 118.374 -1.025 25849 1058 1 4 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.803 -0.271 25849 1059 1 4 . 1 1 19 19 LEU C C 19 178.289 178.289 177.586 0.703 25849 1060 1 4 . 1 1 19 19 LEU CA C 19 57.719 57.719 55.850 1.869 25849 1061 1 4 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.635 0.355 25849 1062 1 4 . 1 1 20 20 LEU N N 20 118.800 118.800 119.496 -0.696 25849 1063 1 4 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.200 -0.328 25849 1064 1 4 . 1 1 20 20 LEU C C 20 179.808 179.808 179.146 0.662 25849 1065 1 4 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.382 0.950 25849 1066 1 4 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.751 0.253 25849 1067 1 4 . 1 1 21 21 GLU N N 21 118.036 118.036 120.851 -2.815 25849 1068 1 4 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.074 -0.037 25849 1069 1 4 . 1 1 21 21 GLU C C 21 175.996 175.996 179.154 -3.158 25849 1070 1 4 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.970 -0.560 25849 1071 1 4 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.751 1.062 25849 1072 1 4 . 1 1 22 22 LEU N N 22 121.854 121.854 120.352 1.502 25849 1073 1 4 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.986 -0.500 25849 1074 1 4 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.634 0.621 25849 1075 1 4 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.390 -2.955 25849 1076 1 4 . 1 1 23 23 ARG N N 23 116.956 116.956 116.432 0.524 25849 1077 1 4 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.245 -0.320 25849 1078 1 4 . 1 1 23 23 ARG CA C 23 60.148 60.148 57.635 2.513 25849 1079 1 4 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.074 -0.063 25849 1080 1 4 . 1 1 24 24 LYS N N 24 121.392 121.392 119.581 1.811 25849 1081 1 4 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.145 -0.164 25849 1082 1 4 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.182 1.527 25849 1083 1 4 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.564 -0.122 25849 1084 1 4 . 1 1 25 25 GLU N N 25 119.698 119.698 119.571 0.127 25849 1085 1 4 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.077 0.163 25849 1086 1 4 . 1 1 25 25 GLU C C 25 178.495 178.495 178.920 -0.425 25849 1087 1 4 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.632 0.131 25849 1088 1 4 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.107 -0.392 25849 1089 1 4 . 1 1 26 26 PHE N N 26 121.062 121.062 119.785 1.277 25849 1090 1 4 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.154 0.477 25849 1091 1 4 . 1 1 26 26 PHE C C 26 176.071 176.071 176.562 -0.491 25849 1092 1 4 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.925 -1.095 25849 1093 1 4 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.133 0.448 25849 1094 1 4 . 1 1 27 27 HIS N N 27 115.944 115.944 113.313 2.631 25849 1095 1 4 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.500 -0.466 25849 1096 1 4 . 1 1 27 27 HIS CA C 27 58.231 58.231 55.890 2.341 25849 1097 1 4 . 1 1 27 27 HIS CB C 27 29.096 29.096 28.982 0.114 25849 1098 1 4 . 1 1 28 28 CYS N N 28 113.854 113.854 115.863 -2.009 25849 1099 1 4 . 1 1 28 28 CYS C C 28 175.913 175.913 175.113 0.800 25849 1100 1 4 . 1 1 28 28 CYS CA C 28 51.047 51.047 58.413 -7.366 25849 1101 1 4 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.385 19.513 25849 1102 1 4 . 1 1 29 29 LYS N N 29 121.350 121.350 124.570 -3.220 25849 1103 1 4 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.171 0.093 25849 1104 1 4 . 1 1 29 29 LYS C C 29 172.365 172.365 175.854 -3.489 25849 1105 1 4 . 1 1 29 29 LYS CA C 29 56.072 56.072 57.684 -1.612 25849 1106 1 4 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.623 1.450 25849 1107 1 4 . 1 1 30 30 LYS N N 30 117.744 117.744 122.157 -4.413 25849 1108 1 4 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.127 -0.411 25849 1109 1 4 . 1 1 30 30 LYS C C 30 174.932 174.932 175.672 -0.740 25849 1110 1 4 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.041 -1.113 25849 1111 1 4 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.437 0.111 25849 1112 1 4 . 1 1 31 31 TYR N N 31 113.437 113.437 117.068 -3.631 25849 1113 1 4 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.646 -0.146 25849 1114 1 4 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.539 -0.145 25849 1115 1 4 . 1 1 31 31 TYR CB C 31 41.161 41.161 41.425 -0.264 25849 1116 1 4 . 1 1 32 32 LEU N N 32 122.416 122.416 124.240 -1.824 25849 1117 1 4 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.311 0.310 25849 1118 1 4 . 1 1 32 32 LEU C C 32 177.448 177.448 176.864 0.584 25849 1119 1 4 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.638 -1.853 25849 1120 1 4 . 1 1 32 32 LEU CB C 32 44.699 44.699 41.965 2.734 25849 1121 1 4 . 1 1 33 33 SER N N 33 119.021 119.021 119.286 -0.265 25849 1122 1 4 . 1 1 33 33 SER HA H 33 4.495 4.495 4.473 0.022 25849 1123 1 4 . 1 1 33 33 SER C C 33 174.599 174.599 175.914 -1.315 25849 1124 1 4 . 1 1 33 33 SER CA C 33 56.591 56.591 57.671 -1.080 25849 1125 1 4 . 1 1 33 33 SER CB C 33 64.944 64.944 64.134 0.810 25849 1126 1 4 . 1 1 34 34 LEU N N 34 121.555 121.555 122.887 -1.332 25849 1127 1 4 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.106 -0.200 25849 1128 1 4 . 1 1 34 34 LEU C C 34 179.869 179.869 178.417 1.452 25849 1129 1 4 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.240 0.678 25849 1130 1 4 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.355 1.030 25849 1131 1 4 . 1 1 35 35 THR N N 35 113.629 113.629 113.474 0.155 25849 1132 1 4 . 1 1 35 35 THR HA H 35 3.861 3.861 4.136 -0.275 25849 1133 1 4 . 1 1 35 35 THR C C 35 176.846 176.846 176.666 0.180 25849 1134 1 4 . 1 1 35 35 THR CA C 35 65.790 65.790 65.525 0.265 25849 1135 1 4 . 1 1 35 35 THR CB C 35 68.421 68.421 68.279 0.142 25849 1136 1 4 . 1 1 36 36 GLU N N 36 122.918 122.918 121.715 1.203 25849 1137 1 4 . 1 1 36 36 GLU HA H 36 3.911 3.911 3.971 -0.060 25849 1138 1 4 . 1 1 36 36 GLU C C 36 178.858 178.858 178.889 -0.031 25849 1139 1 4 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.653 -0.806 25849 1140 1 4 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.656 1.882 25849 1141 1 4 . 1 1 37 37 ARG N N 37 119.042 119.042 118.331 0.711 25849 1142 1 4 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.921 -0.237 25849 1143 1 4 . 1 1 37 37 ARG C C 37 177.748 177.748 178.025 -0.277 25849 1144 1 4 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.063 0.973 25849 1145 1 4 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.149 0.663 25849 1146 1 4 . 1 1 38 38 SER N N 38 113.447 113.447 114.357 -0.910 25849 1147 1 4 . 1 1 38 38 SER HA H 38 4.004 4.004 4.313 -0.309 25849 1148 1 4 . 1 1 38 38 SER C C 38 176.517 176.517 176.220 0.297 25849 1149 1 4 . 1 1 38 38 SER CA C 38 61.804 61.804 60.844 0.960 25849 1150 1 4 . 1 1 38 38 SER CB C 38 62.810 62.810 63.294 -0.484 25849 1151 1 4 . 1 1 39 39 GLN N N 39 121.739 121.739 122.560 -0.821 25849 1152 1 4 . 1 1 39 39 GLN HA H 39 4.047 4.047 3.973 0.074 25849 1153 1 4 . 1 1 39 39 GLN C C 39 178.889 178.889 178.280 0.609 25849 1154 1 4 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.514 -0.424 25849 1155 1 4 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.826 -0.511 25849 1156 1 4 . 1 1 40 40 ILE N N 40 121.471 121.471 115.280 6.191 25849 1157 1 4 . 1 1 40 40 ILE HA H 40 3.837 3.837 4.009 -0.172 25849 1158 1 4 . 1 1 40 40 ILE C C 40 176.844 176.844 177.202 -0.358 25849 1159 1 4 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.536 2.862 25849 1160 1 4 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.120 2.055 25849 1161 1 4 . 1 1 41 41 ALA N N 41 121.897 121.897 123.180 -1.283 25849 1162 1 4 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.143 -0.549 25849 1163 1 4 . 1 1 41 41 ALA C C 41 179.238 179.238 178.956 0.282 25849 1164 1 4 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.529 1.397 25849 1165 1 4 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.079 -1.495 25849 1166 1 4 . 1 1 42 42 HIS N N 42 114.139 114.139 120.641 -6.502 25849 1167 1 4 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.204 0.119 25849 1168 1 4 . 1 1 42 42 HIS C C 42 178.003 178.003 178.243 -0.240 25849 1169 1 4 . 1 1 42 42 HIS CA C 42 58.745 58.745 60.157 -1.412 25849 1170 1 4 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.967 -1.205 25849 1171 1 4 . 1 1 43 43 ALA N N 43 121.931 121.931 122.486 -0.555 25849 1172 1 4 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.168 -0.176 25849 1173 1 4 . 1 1 43 43 ALA C C 43 179.235 179.235 178.237 0.998 25849 1174 1 4 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.863 0.048 25849 1175 1 4 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.651 -0.248 25849 1176 1 4 . 1 1 44 44 LEU N N 44 114.067 114.067 114.165 -0.098 25849 1177 1 4 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.488 -0.249 25849 1178 1 4 . 1 1 44 44 LEU C C 44 175.891 175.891 176.207 -0.316 25849 1179 1 4 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.533 0.703 25849 1180 1 4 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.378 0.202 25849 1181 1 4 . 1 1 45 45 LYS N N 45 116.940 116.940 115.333 1.607 25849 1182 1 4 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.792 0.085 25849 1183 1 4 . 1 1 45 45 LYS C C 45 175.207 175.207 176.151 -0.944 25849 1184 1 4 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.183 0.071 25849 1185 1 4 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.413 -2.015 25849 1186 1 4 . 1 1 46 46 LEU N N 46 119.505 119.505 118.841 0.664 25849 1187 1 4 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.275 0.432 25849 1188 1 4 . 1 1 46 46 LEU C C 46 175.958 175.958 176.753 -0.795 25849 1189 1 4 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.239 -1.900 25849 1190 1 4 . 1 1 46 46 LEU CB C 46 47.312 47.312 42.736 4.576 25849 1191 1 4 . 1 1 47 47 SER N N 47 114.844 114.844 114.582 0.262 25849 1192 1 4 . 1 1 47 47 SER HA H 47 4.641 4.641 4.454 0.187 25849 1193 1 4 . 1 1 47 47 SER C C 47 175.899 175.899 175.848 0.051 25849 1194 1 4 . 1 1 47 47 SER CA C 47 56.675 56.675 57.688 -1.013 25849 1195 1 4 . 1 1 47 47 SER CB C 47 64.911 64.911 64.469 0.443 25849 1196 1 4 . 1 1 48 48 GLU N N 48 122.920 122.920 123.711 -0.791 25849 1197 1 4 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.185 -0.590 25849 1198 1 4 . 1 1 48 48 GLU C C 48 178.430 178.430 178.955 -0.525 25849 1199 1 4 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.992 1.123 25849 1200 1 4 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.614 -0.604 25849 1201 1 4 . 1 1 49 49 VAL N N 49 118.053 118.053 119.178 -1.125 25849 1202 1 4 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.724 -0.034 25849 1203 1 4 . 1 1 49 49 VAL C C 49 177.001 177.001 178.274 -1.273 25849 1204 1 4 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.128 -0.375 25849 1205 1 4 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.227 0.582 25849 1206 1 4 . 1 1 50 50 GLN N N 50 119.121 119.121 118.775 0.346 25849 1207 1 4 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.256 -0.182 25849 1208 1 4 . 1 1 50 50 GLN C C 50 179.480 179.480 179.173 0.307 25849 1209 1 4 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.959 0.295 25849 1210 1 4 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.211 1.446 25849 1211 1 4 . 1 1 51 51 VAL N N 51 118.983 118.983 119.597 -0.614 25849 1212 1 4 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.098 -0.454 25849 1213 1 4 . 1 1 51 51 VAL C C 51 176.652 176.652 178.115 -1.463 25849 1214 1 4 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.721 0.701 25849 1215 1 4 . 1 1 51 51 VAL CB C 51 32.160 32.160 30.913 1.247 25849 1216 1 4 . 1 1 52 52 LYS N N 52 120.962 120.962 121.310 -0.348 25849 1217 1 4 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.114 0.053 25849 1218 1 4 . 1 1 52 52 LYS C C 52 179.592 179.592 179.228 0.364 25849 1219 1 4 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.993 -0.045 25849 1220 1 4 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.116 1.175 25849 1221 1 4 . 1 1 53 53 ILE N N 53 120.085 120.085 120.016 0.069 25849 1222 1 4 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.779 -0.044 25849 1223 1 4 . 1 1 53 53 ILE C C 53 177.452 177.452 178.071 -0.619 25849 1224 1 4 . 1 1 53 53 ILE CA C 53 64.226 64.226 65.060 -0.834 25849 1225 1 4 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.785 0.241 25849 1226 1 4 . 1 1 54 54 TRP N N 54 122.169 122.169 122.458 -0.289 25849 1227 1 4 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.085 -0.098 25849 1228 1 4 . 1 1 54 54 TRP C C 54 179.143 179.143 178.084 1.059 25849 1229 1 4 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.095 1.497 25849 1230 1 4 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.400 -0.460 25849 1231 1 4 . 1 1 55 55 PHE N N 55 118.530 118.530 117.840 0.690 25849 1232 1 4 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.221 -0.567 25849 1233 1 4 . 1 1 55 55 PHE C C 55 177.833 177.833 178.238 -0.405 25849 1234 1 4 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.003 0.199 25849 1235 1 4 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.022 0.517 25849 1236 1 4 . 1 1 56 56 GLN N N 56 118.313 118.313 119.073 -0.760 25849 1237 1 4 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.996 -0.107 25849 1238 1 4 . 1 1 56 56 GLN C C 56 179.052 179.052 178.312 0.740 25849 1239 1 4 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.056 0.430 25849 1240 1 4 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.138 0.431 25849 1241 1 4 . 1 1 57 57 ASN N N 57 119.607 119.607 118.979 0.628 25849 1242 1 4 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.328 -0.047 25849 1243 1 4 . 1 1 57 57 ASN C C 57 177.385 177.385 177.762 -0.377 25849 1244 1 4 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.384 -0.992 25849 1245 1 4 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.343 -0.510 25849 1246 1 4 . 1 1 58 58 GLU N N 58 124.516 124.516 120.472 4.044 25849 1247 1 4 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.888 -0.527 25849 1248 1 4 . 1 1 58 58 GLU C C 58 179.522 179.522 178.533 0.989 25849 1249 1 4 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.611 -0.324 25849 1250 1 4 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.997 -1.465 25849 1251 1 4 . 1 1 59 59 ARG N N 59 118.692 118.692 120.196 -1.504 25849 1252 1 4 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.264 -0.124 25849 1253 1 4 . 1 1 59 59 ARG C C 59 178.813 178.813 178.731 0.082 25849 1254 1 4 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.912 1.001 25849 1255 1 4 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.294 1.397 25849 1256 1 4 . 1 1 60 60 ALA N N 60 120.662 120.662 120.975 -0.313 25849 1257 1 4 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.111 -0.028 25849 1258 1 4 . 1 1 60 60 ALA C C 60 179.753 179.753 179.042 0.711 25849 1259 1 4 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.359 -0.560 25849 1260 1 4 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.252 -0.354 25849 1261 1 4 . 1 1 61 61 LYS N N 61 118.620 118.620 118.715 -0.095 25849 1262 1 4 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.964 -0.123 25849 1263 1 4 . 1 1 61 61 LYS C C 61 177.994 177.994 178.711 -0.717 25849 1264 1 4 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.875 -0.103 25849 1265 1 4 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.041 0.454 25849 1266 1 4 . 1 1 62 62 TRP N N 62 120.517 120.517 121.583 -1.066 25849 1267 1 4 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.361 -0.034 25849 1268 1 4 . 1 1 62 62 TRP C C 62 177.118 177.118 178.911 -1.793 25849 1269 1 4 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.609 -1.273 25849 1270 1 4 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.994 -0.875 25849 1271 1 4 . 1 1 63 63 LYS N N 63 119.074 119.074 119.229 -0.155 25849 1272 1 4 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.037 -0.242 25849 1273 1 4 . 1 1 63 63 LYS C C 63 177.429 177.429 179.063 -1.634 25849 1274 1 4 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.889 -1.800 25849 1275 1 4 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.191 0.553 25849 1276 1 4 . 1 1 64 64 ARG N N 64 118.825 118.825 117.667 1.158 25849 1277 1 4 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.088 -0.004 25849 1278 1 4 . 1 1 64 64 ARG C C 64 177.231 177.231 177.673 -0.442 25849 1279 1 4 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.784 -1.314 25849 1280 1 4 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.561 0.717 25849 1281 1 4 . 1 1 65 65 ILE N N 65 120.523 120.523 118.360 2.163 25849 1282 1 4 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.823 0.050 25849 1283 1 4 . 1 1 65 65 ILE C C 65 177.198 177.198 176.688 0.510 25849 1284 1 4 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.069 0.323 25849 1285 1 4 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.086 1.312 25849 1286 1 4 . 1 1 66 66 LYS N N 66 123.201 123.201 121.959 1.242 25849 1287 1 4 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.190 -0.117 25849 1288 1 4 . 1 1 66 66 LYS C C 66 176.387 176.387 176.150 0.237 25849 1289 1 4 . 1 1 66 66 LYS CA C 66 56.625 56.625 55.825 0.800 25849 1290 1 4 . 1 1 66 66 LYS CB C 66 32.364 32.364 29.913 2.451 25849 1291 1 4 . 1 1 67 67 ALA N N 67 123.500 123.500 122.696 0.804 25849 1292 1 4 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.163 0.039 25849 1293 1 4 . 1 1 67 67 ALA C C 67 177.870 177.870 178.976 -1.106 25849 1294 1 4 . 1 1 67 67 ALA CA C 67 52.583 52.583 53.948 -1.365 25849 1295 1 4 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.227 -0.141 25849 1296 1 4 . 1 1 68 68 GLY N N 68 107.120 107.120 105.682 1.438 25849 1297 1 4 . 1 1 68 68 GLY C C 68 173.688 173.688 173.994 -0.306 25849 1298 1 4 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.647 0.701 25849 1299 1 4 . 1 1 69 69 ASN N N 69 118.671 118.671 118.533 0.138 25849 1300 1 4 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.892 -0.209 25849 1301 1 4 . 1 1 69 69 ASN C C 69 174.792 174.792 175.269 -0.477 25849 1302 1 4 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.563 0.445 25849 1303 1 4 . 1 1 69 69 ASN CB C 69 39.064 39.064 40.540 -1.476 25849 1304 1 4 . 1 1 70 70 VAL N N 70 119.480 119.480 117.656 1.824 25849 1305 1 4 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.797 0.333 25849 1306 1 4 . 1 1 70 70 VAL C C 70 175.126 175.126 174.833 0.293 25849 1307 1 4 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.654 -1.563 25849 1308 1 4 . 1 1 70 70 VAL CB C 70 32.863 32.863 29.291 3.572 25849 1309 1 5 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.577 -0.212 25849 1310 1 5 . 1 1 3 3 PRO C C 3 177.410 177.410 176.241 1.169 25849 1311 1 5 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.698 0.563 25849 1312 1 5 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.701 -0.919 25849 1313 1 5 . 1 1 4 4 GLY N N 4 109.481 109.481 106.400 3.081 25849 1314 1 5 . 1 1 4 4 GLY C C 4 173.688 173.688 172.898 0.790 25849 1315 1 5 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.558 0.517 25849 1316 1 5 . 1 1 5 5 GLY N N 5 108.665 108.665 107.568 1.097 25849 1317 1 5 . 1 1 5 5 GLY C C 5 174.231 174.231 173.564 0.667 25849 1318 1 5 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.109 0.273 25849 1319 1 5 . 1 1 6 6 LYS N N 6 120.860 120.860 122.167 -1.307 25849 1320 1 5 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.593 -0.337 25849 1321 1 5 . 1 1 6 6 LYS C C 6 176.715 176.715 175.881 0.834 25849 1322 1 5 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.230 0.062 25849 1323 1 5 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.866 -0.060 25849 1324 1 5 . 1 1 7 7 SER N N 7 116.762 116.762 118.647 -1.885 25849 1325 1 5 . 1 1 7 7 SER HA H 7 4.344 4.344 4.804 -0.460 25849 1326 1 5 . 1 1 7 7 SER C C 7 174.437 174.437 174.313 0.124 25849 1327 1 5 . 1 1 7 7 SER CA C 7 58.373 58.373 57.704 0.669 25849 1328 1 5 . 1 1 7 7 SER CB C 7 63.557 63.557 64.124 -0.567 25849 1329 1 5 . 1 1 8 8 ARG N N 8 123.315 123.315 121.979 1.336 25849 1330 1 5 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.607 -0.344 25849 1331 1 5 . 1 1 8 8 ARG C C 8 176.017 176.017 175.387 0.630 25849 1332 1 5 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.466 0.485 25849 1333 1 5 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.764 -0.231 25849 1334 1 5 . 1 1 9 9 ARG N N 9 122.423 122.423 119.070 3.353 25849 1335 1 5 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.116 0.112 25849 1336 1 5 . 1 1 9 9 ARG C C 9 176.001 176.001 175.569 0.432 25849 1337 1 5 . 1 1 9 9 ARG CA C 9 55.936 55.936 57.389 -1.453 25849 1338 1 5 . 1 1 9 9 ARG CB C 9 30.625 30.625 29.700 0.925 25849 1339 1 5 . 1 1 10 10 ARG N N 10 123.297 123.297 119.737 3.560 25849 1340 1 5 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.370 -0.121 25849 1341 1 5 . 1 1 10 10 ARG C C 10 176.008 176.008 174.320 1.688 25849 1342 1 5 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.761 0.105 25849 1343 1 5 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.986 -0.270 25849 1344 1 5 . 1 1 11 11 ARG N N 11 123.308 123.308 119.293 4.015 25849 1345 1 5 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.519 -0.207 25849 1346 1 5 . 1 1 11 11 ARG C C 11 176.115 176.115 175.203 0.912 25849 1347 1 5 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.787 0.292 25849 1348 1 5 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.483 -1.700 25849 1349 1 5 . 1 1 12 12 THR N N 12 116.294 116.294 117.190 -0.896 25849 1350 1 5 . 1 1 12 12 THR HA H 12 4.193 4.193 4.422 -0.229 25849 1351 1 5 . 1 1 12 12 THR C C 12 173.498 173.498 175.820 -2.322 25849 1352 1 5 . 1 1 12 12 THR CA C 12 61.491 61.491 62.462 -0.971 25849 1353 1 5 . 1 1 12 12 THR CB C 12 69.706 69.706 69.543 0.163 25849 1354 1 5 . 1 1 13 13 ALA N N 13 127.117 127.117 125.527 1.590 25849 1355 1 5 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.369 -0.148 25849 1356 1 5 . 1 1 13 13 ALA C C 13 176.874 176.874 176.518 0.356 25849 1357 1 5 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.091 -0.068 25849 1358 1 5 . 1 1 13 13 ALA CB C 13 19.632 19.632 17.472 2.160 25849 1359 1 5 . 1 1 14 14 PHE N N 14 118.798 118.798 121.083 -2.285 25849 1360 1 5 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.856 0.036 25849 1361 1 5 . 1 1 14 14 PHE C C 14 176.653 176.653 177.009 -0.356 25849 1362 1 5 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.147 -0.013 25849 1363 1 5 . 1 1 14 14 PHE CB C 14 40.512 40.512 39.677 0.835 25849 1364 1 5 . 1 1 15 15 THR N N 15 113.522 113.522 117.822 -4.300 25849 1365 1 5 . 1 1 15 15 THR HA H 15 4.426 4.426 4.481 -0.055 25849 1366 1 5 . 1 1 15 15 THR C C 15 175.371 175.371 175.929 -0.558 25849 1367 1 5 . 1 1 15 15 THR CA C 15 60.434 60.434 61.096 -0.662 25849 1368 1 5 . 1 1 15 15 THR CB C 15 70.826 70.826 69.953 0.873 25849 1369 1 5 . 1 1 16 16 SER N N 16 116.611 116.611 116.775 -0.164 25849 1370 1 5 . 1 1 16 16 SER HA H 16 3.862 3.862 4.136 -0.274 25849 1371 1 5 . 1 1 16 16 SER C C 16 176.742 176.742 176.390 0.352 25849 1372 1 5 . 1 1 16 16 SER CA C 16 62.165 62.165 62.188 -0.023 25849 1373 1 5 . 1 1 16 16 SER CB C 16 61.908 61.908 62.849 -0.941 25849 1374 1 5 . 1 1 17 17 GLU N N 17 120.901 120.901 120.280 0.621 25849 1375 1 5 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.017 -0.074 25849 1376 1 5 . 1 1 17 17 GLU C C 17 178.802 178.802 178.457 0.345 25849 1377 1 5 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.323 0.758 25849 1378 1 5 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.526 -0.420 25849 1379 1 5 . 1 1 18 18 GLN N N 18 118.523 118.523 117.800 0.723 25849 1380 1 5 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.014 -0.268 25849 1381 1 5 . 1 1 18 18 GLN C C 18 177.493 177.493 178.413 -0.920 25849 1382 1 5 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.118 0.766 25849 1383 1 5 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.753 -0.695 25849 1384 1 5 . 1 1 19 19 LEU N N 19 117.349 117.349 118.591 -1.242 25849 1385 1 5 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.792 -0.260 25849 1386 1 5 . 1 1 19 19 LEU C C 19 178.289 178.289 178.097 0.192 25849 1387 1 5 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.325 1.394 25849 1388 1 5 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.420 0.570 25849 1389 1 5 . 1 1 20 20 LEU N N 20 118.800 118.800 119.987 -1.187 25849 1390 1 5 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.143 -0.271 25849 1391 1 5 . 1 1 20 20 LEU C C 20 179.808 179.808 179.069 0.739 25849 1392 1 5 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.827 0.505 25849 1393 1 5 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.450 0.554 25849 1394 1 5 . 1 1 21 21 GLU N N 21 118.036 118.036 118.773 -0.737 25849 1395 1 5 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.054 -0.017 25849 1396 1 5 . 1 1 21 21 GLU C C 21 175.996 175.996 179.102 -3.106 25849 1397 1 5 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.672 -0.262 25849 1398 1 5 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.880 0.933 25849 1399 1 5 . 1 1 22 22 LEU N N 22 121.854 121.854 120.588 1.266 25849 1400 1 5 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.752 -0.266 25849 1401 1 5 . 1 1 22 22 LEU CA C 22 58.255 58.255 58.661 -0.406 25849 1402 1 5 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.094 -2.659 25849 1403 1 5 . 1 1 23 23 ARG N N 23 116.956 116.956 116.444 0.512 25849 1404 1 5 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.114 -0.189 25849 1405 1 5 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.496 1.652 25849 1406 1 5 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.109 -0.098 25849 1407 1 5 . 1 1 24 24 LYS N N 24 121.392 121.392 120.721 0.671 25849 1408 1 5 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.184 -0.203 25849 1409 1 5 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.169 0.540 25849 1410 1 5 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.070 0.372 25849 1411 1 5 . 1 1 25 25 GLU N N 25 119.698 119.698 119.945 -0.247 25849 1412 1 5 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.208 0.032 25849 1413 1 5 . 1 1 25 25 GLU C C 25 178.495 178.495 178.825 -0.330 25849 1414 1 5 . 1 1 25 25 GLU CA C 25 58.763 58.763 59.136 -0.373 25849 1415 1 5 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.722 -1.007 25849 1416 1 5 . 1 1 26 26 PHE N N 26 121.062 121.062 118.396 2.666 25849 1417 1 5 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.367 0.264 25849 1418 1 5 . 1 1 26 26 PHE C C 26 176.071 176.071 175.956 0.115 25849 1419 1 5 . 1 1 26 26 PHE CA C 26 59.830 59.830 59.854 -0.024 25849 1420 1 5 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.201 0.380 25849 1421 1 5 . 1 1 27 27 HIS N N 27 115.944 115.944 116.040 -0.096 25849 1422 1 5 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.532 -0.498 25849 1423 1 5 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.056 1.175 25849 1424 1 5 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.138 -1.042 25849 1425 1 5 . 1 1 28 28 CYS N N 28 113.854 113.854 119.148 -5.294 25849 1426 1 5 . 1 1 28 28 CYS C C 28 175.913 175.913 174.040 1.873 25849 1427 1 5 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.086 -8.039 25849 1428 1 5 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.339 19.559 25849 1429 1 5 . 1 1 29 29 LYS N N 29 121.350 121.350 119.108 2.242 25849 1430 1 5 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.480 -0.216 25849 1431 1 5 . 1 1 29 29 LYS C C 29 172.365 172.365 175.943 -3.578 25849 1432 1 5 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.226 0.846 25849 1433 1 5 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.291 1.782 25849 1434 1 5 . 1 1 30 30 LYS N N 30 117.744 117.744 118.374 -0.630 25849 1435 1 5 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.291 -0.575 25849 1436 1 5 . 1 1 30 30 LYS C C 30 174.932 174.932 174.964 -0.032 25849 1437 1 5 . 1 1 30 30 LYS CA C 30 55.928 55.928 56.623 -0.695 25849 1438 1 5 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.557 -0.009 25849 1439 1 5 . 1 1 31 31 TYR N N 31 113.437 113.437 115.034 -1.597 25849 1440 1 5 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.782 -0.282 25849 1441 1 5 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.763 0.631 25849 1442 1 5 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.247 1.914 25849 1443 1 5 . 1 1 32 32 LEU N N 32 122.416 122.416 123.316 -0.900 25849 1444 1 5 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.664 -0.043 25849 1445 1 5 . 1 1 32 32 LEU C C 32 177.448 177.448 176.607 0.841 25849 1446 1 5 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.765 -0.980 25849 1447 1 5 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.635 1.064 25849 1448 1 5 . 1 1 33 33 SER N N 33 119.021 119.021 119.374 -0.353 25849 1449 1 5 . 1 1 33 33 SER HA H 33 4.495 4.495 4.396 0.099 25849 1450 1 5 . 1 1 33 33 SER C C 33 174.599 174.599 175.867 -1.268 25849 1451 1 5 . 1 1 33 33 SER CA C 33 56.591 56.591 58.447 -1.856 25849 1452 1 5 . 1 1 33 33 SER CB C 33 64.944 64.944 63.939 1.005 25849 1453 1 5 . 1 1 34 34 LEU N N 34 121.555 121.555 123.512 -1.957 25849 1454 1 5 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.126 -0.220 25849 1455 1 5 . 1 1 34 34 LEU C C 34 179.869 179.869 179.322 0.547 25849 1456 1 5 . 1 1 34 34 LEU CA C 34 58.918 58.918 59.197 -0.279 25849 1457 1 5 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.556 0.829 25849 1458 1 5 . 1 1 35 35 THR N N 35 113.629 113.629 113.908 -0.279 25849 1459 1 5 . 1 1 35 35 THR HA H 35 3.861 3.861 4.095 -0.234 25849 1460 1 5 . 1 1 35 35 THR C C 35 176.846 176.846 176.509 0.337 25849 1461 1 5 . 1 1 35 35 THR CA C 35 65.790 65.790 66.284 -0.494 25849 1462 1 5 . 1 1 35 35 THR CB C 35 68.421 68.421 68.306 0.115 25849 1463 1 5 . 1 1 36 36 GLU N N 36 122.918 122.918 121.279 1.639 25849 1464 1 5 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.151 -0.240 25849 1465 1 5 . 1 1 36 36 GLU C C 36 178.858 178.858 178.927 -0.069 25849 1466 1 5 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.280 -0.433 25849 1467 1 5 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.681 1.857 25849 1468 1 5 . 1 1 37 37 ARG N N 37 119.042 119.042 119.885 -0.843 25849 1469 1 5 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.860 -0.176 25849 1470 1 5 . 1 1 37 37 ARG C C 37 177.748 177.748 178.868 -1.120 25849 1471 1 5 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.736 0.300 25849 1472 1 5 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.148 0.664 25849 1473 1 5 . 1 1 38 38 SER N N 38 113.447 113.447 114.036 -0.589 25849 1474 1 5 . 1 1 38 38 SER HA H 38 4.004 4.004 4.069 -0.065 25849 1475 1 5 . 1 1 38 38 SER C C 38 176.517 176.517 176.590 -0.073 25849 1476 1 5 . 1 1 38 38 SER CA C 38 61.804 61.804 62.038 -0.234 25849 1477 1 5 . 1 1 38 38 SER CB C 38 62.810 62.810 63.036 -0.226 25849 1478 1 5 . 1 1 39 39 GLN N N 39 121.739 121.739 120.632 1.107 25849 1479 1 5 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.052 -0.005 25849 1480 1 5 . 1 1 39 39 GLN C C 39 178.889 178.889 178.706 0.183 25849 1481 1 5 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.124 -0.034 25849 1482 1 5 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.907 -0.592 25849 1483 1 5 . 1 1 40 40 ILE N N 40 121.471 121.471 116.925 4.546 25849 1484 1 5 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.951 -0.114 25849 1485 1 5 . 1 1 40 40 ILE C C 40 176.844 176.844 176.977 -0.133 25849 1486 1 5 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.576 2.822 25849 1487 1 5 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.227 1.948 25849 1488 1 5 . 1 1 41 41 ALA N N 41 121.897 121.897 122.645 -0.748 25849 1489 1 5 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.117 -0.523 25849 1490 1 5 . 1 1 41 41 ALA C C 41 179.238 179.238 178.528 0.710 25849 1491 1 5 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.350 1.576 25849 1492 1 5 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.115 -1.531 25849 1493 1 5 . 1 1 42 42 HIS N N 42 114.139 114.139 120.208 -6.069 25849 1494 1 5 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.315 0.008 25849 1495 1 5 . 1 1 42 42 HIS C C 42 178.003 178.003 178.185 -0.182 25849 1496 1 5 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.728 -0.984 25849 1497 1 5 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.160 -1.397 25849 1498 1 5 . 1 1 43 43 ALA N N 43 121.931 121.931 122.330 -0.399 25849 1499 1 5 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.199 -0.207 25849 1500 1 5 . 1 1 43 43 ALA C C 43 179.235 179.235 177.803 1.432 25849 1501 1 5 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.631 0.280 25849 1502 1 5 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.690 -0.287 25849 1503 1 5 . 1 1 44 44 LEU N N 44 114.067 114.067 114.618 -0.551 25849 1504 1 5 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.569 -0.330 25849 1505 1 5 . 1 1 44 44 LEU C C 44 175.891 175.891 176.056 -0.165 25849 1506 1 5 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.535 0.701 25849 1507 1 5 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.814 -0.234 25849 1508 1 5 . 1 1 45 45 LYS N N 45 116.940 116.940 114.743 2.197 25849 1509 1 5 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.753 0.124 25849 1510 1 5 . 1 1 45 45 LYS C C 45 175.207 175.207 176.081 -0.874 25849 1511 1 5 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.425 -0.171 25849 1512 1 5 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.595 -2.197 25849 1513 1 5 . 1 1 46 46 LEU N N 46 119.505 119.505 119.154 0.351 25849 1514 1 5 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.226 0.480 25849 1515 1 5 . 1 1 46 46 LEU C C 46 175.958 175.958 175.930 0.028 25849 1516 1 5 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.567 -2.228 25849 1517 1 5 . 1 1 46 46 LEU CB C 46 47.312 47.312 42.917 4.395 25849 1518 1 5 . 1 1 47 47 SER N N 47 114.844 114.844 114.555 0.289 25849 1519 1 5 . 1 1 47 47 SER HA H 47 4.641 4.641 4.529 0.112 25849 1520 1 5 . 1 1 47 47 SER C C 47 175.899 175.899 175.847 0.052 25849 1521 1 5 . 1 1 47 47 SER CA C 47 56.675 56.675 57.891 -1.216 25849 1522 1 5 . 1 1 47 47 SER CB C 47 64.911 64.911 63.910 1.001 25849 1523 1 5 . 1 1 48 48 GLU N N 48 122.920 122.920 123.154 -0.234 25849 1524 1 5 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.067 -0.472 25849 1525 1 5 . 1 1 48 48 GLU C C 48 178.430 178.430 178.877 -0.447 25849 1526 1 5 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.065 1.050 25849 1527 1 5 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.416 -0.406 25849 1528 1 5 . 1 1 49 49 VAL N N 49 118.053 118.053 119.193 -1.140 25849 1529 1 5 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.700 -0.010 25849 1530 1 5 . 1 1 49 49 VAL C C 49 177.001 177.001 178.194 -1.193 25849 1531 1 5 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.047 -0.294 25849 1532 1 5 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.229 0.580 25849 1533 1 5 . 1 1 50 50 GLN N N 50 119.121 119.121 118.467 0.654 25849 1534 1 5 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.198 -0.124 25849 1535 1 5 . 1 1 50 50 GLN C C 50 179.480 179.480 179.162 0.318 25849 1536 1 5 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.826 0.428 25849 1537 1 5 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.198 1.459 25849 1538 1 5 . 1 1 51 51 VAL N N 51 118.983 118.983 120.817 -1.834 25849 1539 1 5 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.940 -0.296 25849 1540 1 5 . 1 1 51 51 VAL C C 51 176.652 176.652 177.985 -1.333 25849 1541 1 5 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.303 0.118 25849 1542 1 5 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.644 0.516 25849 1543 1 5 . 1 1 52 52 LYS N N 52 120.962 120.962 120.709 0.253 25849 1544 1 5 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.054 0.113 25849 1545 1 5 . 1 1 52 52 LYS C C 52 179.592 179.592 179.348 0.244 25849 1546 1 5 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.932 0.016 25849 1547 1 5 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.370 0.921 25849 1548 1 5 . 1 1 53 53 ILE N N 53 120.085 120.085 118.977 1.108 25849 1549 1 5 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.846 -0.111 25849 1550 1 5 . 1 1 53 53 ILE C C 53 177.452 177.452 177.822 -0.370 25849 1551 1 5 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.925 -0.699 25849 1552 1 5 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.821 0.205 25849 1553 1 5 . 1 1 54 54 TRP N N 54 122.169 122.169 122.293 -0.124 25849 1554 1 5 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.085 -0.098 25849 1555 1 5 . 1 1 54 54 TRP C C 54 179.143 179.143 177.967 1.176 25849 1556 1 5 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.835 1.757 25849 1557 1 5 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.170 -0.230 25849 1558 1 5 . 1 1 55 55 PHE N N 55 118.530 118.530 117.491 1.039 25849 1559 1 5 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.354 -0.700 25849 1560 1 5 . 1 1 55 55 PHE C C 55 177.833 177.833 178.283 -0.450 25849 1561 1 5 . 1 1 55 55 PHE CA C 55 63.202 63.202 61.973 1.229 25849 1562 1 5 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.046 0.493 25849 1563 1 5 . 1 1 56 56 GLN N N 56 118.313 118.313 118.798 -0.485 25849 1564 1 5 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.009 -0.120 25849 1565 1 5 . 1 1 56 56 GLN C C 56 179.052 179.052 178.425 0.627 25849 1566 1 5 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.945 0.540 25849 1567 1 5 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.088 0.481 25849 1568 1 5 . 1 1 57 57 ASN N N 57 119.607 119.607 118.803 0.804 25849 1569 1 5 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.367 -0.086 25849 1570 1 5 . 1 1 57 57 ASN C C 57 177.385 177.385 177.584 -0.199 25849 1571 1 5 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.314 -0.922 25849 1572 1 5 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.570 -0.737 25849 1573 1 5 . 1 1 58 58 GLU N N 58 124.516 124.516 119.455 5.061 25849 1574 1 5 . 1 1 58 58 GLU HA H 58 3.361 3.361 4.039 -0.678 25849 1575 1 5 . 1 1 58 58 GLU C C 58 179.522 179.522 178.469 1.053 25849 1576 1 5 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.386 -0.099 25849 1577 1 5 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.899 -1.367 25849 1578 1 5 . 1 1 59 59 ARG N N 59 118.692 118.692 120.567 -1.875 25849 1579 1 5 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.509 -0.369 25849 1580 1 5 . 1 1 59 59 ARG C C 59 178.813 178.813 177.232 1.581 25849 1581 1 5 . 1 1 59 59 ARG CA C 59 60.913 60.913 58.561 2.352 25849 1582 1 5 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.318 1.373 25849 1583 1 5 . 1 1 60 60 ALA N N 60 120.662 120.662 122.129 -1.467 25849 1584 1 5 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.423 -0.340 25849 1585 1 5 . 1 1 60 60 ALA C C 60 179.753 179.753 178.129 1.624 25849 1586 1 5 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.029 0.771 25849 1587 1 5 . 1 1 60 60 ALA CB C 60 17.898 17.898 19.211 -1.313 25849 1588 1 5 . 1 1 61 61 LYS N N 61 118.620 118.620 119.759 -1.139 25849 1589 1 5 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.981 -0.140 25849 1590 1 5 . 1 1 61 61 LYS C C 61 177.994 177.994 178.871 -0.877 25849 1591 1 5 . 1 1 61 61 LYS CA C 61 58.772 58.772 59.120 -0.348 25849 1592 1 5 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.347 0.148 25849 1593 1 5 . 1 1 62 62 TRP N N 62 120.517 120.517 120.719 -0.202 25849 1594 1 5 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.353 -0.026 25849 1595 1 5 . 1 1 62 62 TRP C C 62 177.118 177.118 178.767 -1.649 25849 1596 1 5 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.754 -1.418 25849 1597 1 5 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.084 -0.965 25849 1598 1 5 . 1 1 63 63 LYS N N 63 119.074 119.074 118.918 0.156 25849 1599 1 5 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.117 -0.322 25849 1600 1 5 . 1 1 63 63 LYS C C 63 177.429 177.429 179.407 -1.978 25849 1601 1 5 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.896 -1.807 25849 1602 1 5 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.292 0.452 25849 1603 1 5 . 1 1 64 64 ARG N N 64 118.825 118.825 118.713 0.112 25849 1604 1 5 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.142 -0.058 25849 1605 1 5 . 1 1 64 64 ARG C C 64 177.231 177.231 178.833 -1.602 25849 1606 1 5 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.950 -1.480 25849 1607 1 5 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.665 0.613 25849 1608 1 5 . 1 1 65 65 ILE N N 65 120.523 120.523 119.981 0.542 25849 1609 1 5 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.812 0.061 25849 1610 1 5 . 1 1 65 65 ILE C C 65 177.198 177.198 177.360 -0.162 25849 1611 1 5 . 1 1 65 65 ILE CA C 65 62.392 62.392 63.460 -1.068 25849 1612 1 5 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.435 0.962 25849 1613 1 5 . 1 1 66 66 LYS N N 66 123.201 123.201 120.880 2.321 25849 1614 1 5 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.153 -0.080 25849 1615 1 5 . 1 1 66 66 LYS C C 66 176.387 176.387 176.470 -0.083 25849 1616 1 5 . 1 1 66 66 LYS CA C 66 56.625 56.625 57.107 -0.482 25849 1617 1 5 . 1 1 66 66 LYS CB C 66 32.364 32.364 32.842 -0.478 25849 1618 1 5 . 1 1 67 67 ALA N N 67 123.500 123.500 120.769 2.731 25849 1619 1 5 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.160 0.042 25849 1620 1 5 . 1 1 67 67 ALA C C 67 177.870 177.870 178.104 -0.234 25849 1621 1 5 . 1 1 67 67 ALA CA C 67 52.583 52.583 52.281 0.302 25849 1622 1 5 . 1 1 67 67 ALA CB C 67 19.086 19.086 17.522 1.564 25849 1623 1 5 . 1 1 68 68 GLY N N 68 107.120 107.120 109.695 -2.575 25849 1624 1 5 . 1 1 68 68 GLY C C 68 173.688 173.688 174.011 -0.323 25849 1625 1 5 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.872 0.476 25849 1626 1 5 . 1 1 69 69 ASN N N 69 118.671 118.671 117.852 0.819 25849 1627 1 5 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.793 -0.110 25849 1628 1 5 . 1 1 69 69 ASN C C 69 174.792 174.792 175.366 -0.574 25849 1629 1 5 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.331 -0.322 25849 1630 1 5 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.451 -0.387 25849 1631 1 5 . 1 1 70 70 VAL N N 70 119.480 119.480 120.078 -0.598 25849 1632 1 5 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.175 -0.045 25849 1633 1 5 . 1 1 70 70 VAL C C 70 175.126 175.126 175.327 -0.201 25849 1634 1 5 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.298 -1.208 25849 1635 1 5 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.042 0.821 25849 1636 1 6 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.355 0.010 25849 1637 1 6 . 1 1 3 3 PRO C C 3 177.410 177.410 177.112 0.298 25849 1638 1 6 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.727 0.534 25849 1639 1 6 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.398 -0.616 25849 1640 1 6 . 1 1 4 4 GLY N N 4 109.481 109.481 110.174 -0.693 25849 1641 1 6 . 1 1 4 4 GLY C C 4 173.688 173.688 173.389 0.299 25849 1642 1 6 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.666 0.409 25849 1643 1 6 . 1 1 5 5 GLY N N 5 108.665 108.665 109.735 -1.070 25849 1644 1 6 . 1 1 5 5 GLY C C 5 174.231 174.231 174.235 -0.004 25849 1645 1 6 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.413 0.969 25849 1646 1 6 . 1 1 6 6 LYS N N 6 120.860 120.860 118.642 2.218 25849 1647 1 6 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.262 -0.006 25849 1648 1 6 . 1 1 6 6 LYS C C 6 176.715 176.715 176.156 0.559 25849 1649 1 6 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.393 -0.101 25849 1650 1 6 . 1 1 6 6 LYS CB C 6 32.806 32.806 33.100 -0.294 25849 1651 1 6 . 1 1 7 7 SER N N 7 116.762 116.762 115.150 1.612 25849 1652 1 6 . 1 1 7 7 SER HA H 7 4.344 4.344 4.611 -0.267 25849 1653 1 6 . 1 1 7 7 SER C C 7 174.437 174.437 173.339 1.098 25849 1654 1 6 . 1 1 7 7 SER CA C 7 58.373 58.373 57.984 0.389 25849 1655 1 6 . 1 1 7 7 SER CB C 7 63.557 63.557 63.575 -0.018 25849 1656 1 6 . 1 1 8 8 ARG N N 8 123.315 123.315 120.661 2.654 25849 1657 1 6 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.614 -0.351 25849 1658 1 6 . 1 1 8 8 ARG C C 8 176.017 176.017 175.104 0.913 25849 1659 1 6 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.414 0.537 25849 1660 1 6 . 1 1 8 8 ARG CB C 8 30.533 30.533 31.859 -1.326 25849 1661 1 6 . 1 1 9 9 ARG N N 9 122.423 122.423 118.921 3.502 25849 1662 1 6 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.053 0.175 25849 1663 1 6 . 1 1 9 9 ARG C C 9 176.001 176.001 176.308 -0.307 25849 1664 1 6 . 1 1 9 9 ARG CA C 9 55.936 55.936 57.116 -1.180 25849 1665 1 6 . 1 1 9 9 ARG CB C 9 30.625 30.625 28.053 2.572 25849 1666 1 6 . 1 1 10 10 ARG N N 10 123.297 123.297 118.403 4.894 25849 1667 1 6 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.283 -0.034 25849 1668 1 6 . 1 1 10 10 ARG C C 10 176.008 176.008 175.680 0.328 25849 1669 1 6 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.062 -0.196 25849 1670 1 6 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.110 1.606 25849 1671 1 6 . 1 1 11 11 ARG N N 11 123.308 123.308 119.428 3.880 25849 1672 1 6 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.419 -0.107 25849 1673 1 6 . 1 1 11 11 ARG C C 11 176.115 176.115 174.467 1.648 25849 1674 1 6 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.339 0.740 25849 1675 1 6 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.612 -1.829 25849 1676 1 6 . 1 1 12 12 THR N N 12 116.294 116.294 118.317 -2.023 25849 1677 1 6 . 1 1 12 12 THR HA H 12 4.193 4.193 4.741 -0.548 25849 1678 1 6 . 1 1 12 12 THR C C 12 173.498 173.498 173.903 -0.405 25849 1679 1 6 . 1 1 12 12 THR CA C 12 61.491 61.491 61.334 0.157 25849 1680 1 6 . 1 1 12 12 THR CB C 12 69.706 69.706 71.160 -1.454 25849 1681 1 6 . 1 1 13 13 ALA N N 13 127.117 127.117 125.863 1.254 25849 1682 1 6 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.458 -0.237 25849 1683 1 6 . 1 1 13 13 ALA C C 13 176.874 176.874 176.531 0.343 25849 1684 1 6 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.818 -0.795 25849 1685 1 6 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.596 1.036 25849 1686 1 6 . 1 1 14 14 PHE N N 14 118.798 118.798 122.427 -3.629 25849 1687 1 6 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.226 -0.334 25849 1688 1 6 . 1 1 14 14 PHE C C 14 176.653 176.653 175.712 0.941 25849 1689 1 6 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.292 0.842 25849 1690 1 6 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.318 -1.806 25849 1691 1 6 . 1 1 15 15 THR N N 15 113.522 113.522 114.313 -0.791 25849 1692 1 6 . 1 1 15 15 THR HA H 15 4.426 4.426 4.715 -0.289 25849 1693 1 6 . 1 1 15 15 THR C C 15 175.371 175.371 175.941 -0.570 25849 1694 1 6 . 1 1 15 15 THR CA C 15 60.434 60.434 60.333 0.101 25849 1695 1 6 . 1 1 15 15 THR CB C 15 70.826 70.826 70.333 0.493 25849 1696 1 6 . 1 1 16 16 SER N N 16 116.611 116.611 117.232 -0.621 25849 1697 1 6 . 1 1 16 16 SER HA H 16 3.862 3.862 4.067 -0.205 25849 1698 1 6 . 1 1 16 16 SER C C 16 176.742 176.742 176.599 0.143 25849 1699 1 6 . 1 1 16 16 SER CA C 16 62.165 62.165 61.014 1.151 25849 1700 1 6 . 1 1 16 16 SER CB C 16 61.908 61.908 62.998 -1.090 25849 1701 1 6 . 1 1 17 17 GLU N N 17 120.901 120.901 119.932 0.969 25849 1702 1 6 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.989 -0.046 25849 1703 1 6 . 1 1 17 17 GLU C C 17 178.802 178.802 178.714 0.088 25849 1704 1 6 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.612 0.469 25849 1705 1 6 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.451 -0.345 25849 1706 1 6 . 1 1 18 18 GLN N N 18 118.523 118.523 117.819 0.704 25849 1707 1 6 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.208 -0.462 25849 1708 1 6 . 1 1 18 18 GLN C C 18 177.493 177.493 178.537 -1.044 25849 1709 1 6 . 1 1 18 18 GLN CA C 18 58.884 58.884 57.858 1.026 25849 1710 1 6 . 1 1 18 18 GLN CB C 18 28.058 28.058 29.183 -1.125 25849 1711 1 6 . 1 1 19 19 LEU N N 19 117.349 117.349 120.024 -2.675 25849 1712 1 6 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.798 -0.266 25849 1713 1 6 . 1 1 19 19 LEU C C 19 178.289 178.289 177.891 0.398 25849 1714 1 6 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.812 0.907 25849 1715 1 6 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.310 0.680 25849 1716 1 6 . 1 1 20 20 LEU N N 20 118.800 118.800 119.093 -0.293 25849 1717 1 6 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.120 -0.248 25849 1718 1 6 . 1 1 20 20 LEU C C 20 179.808 179.808 179.273 0.535 25849 1719 1 6 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.997 0.335 25849 1720 1 6 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.372 0.632 25849 1721 1 6 . 1 1 21 21 GLU N N 21 118.036 118.036 118.919 -0.883 25849 1722 1 6 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.077 -0.040 25849 1723 1 6 . 1 1 21 21 GLU C C 21 175.996 175.996 179.356 -3.360 25849 1724 1 6 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.902 -0.492 25849 1725 1 6 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.960 0.853 25849 1726 1 6 . 1 1 22 22 LEU N N 22 121.854 121.854 119.674 2.180 25849 1727 1 6 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.909 -0.423 25849 1728 1 6 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.112 1.143 25849 1729 1 6 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.046 -2.611 25849 1730 1 6 . 1 1 23 23 ARG N N 23 116.956 116.956 118.164 -1.208 25849 1731 1 6 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.173 -0.248 25849 1732 1 6 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.462 0.685 25849 1733 1 6 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.128 -0.117 25849 1734 1 6 . 1 1 24 24 LYS N N 24 121.392 121.392 115.810 5.582 25849 1735 1 6 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.042 -0.061 25849 1736 1 6 . 1 1 24 24 LYS CA C 24 59.709 59.709 57.992 1.717 25849 1737 1 6 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.475 -0.033 25849 1738 1 6 . 1 1 25 25 GLU N N 25 119.698 119.698 115.887 3.811 25849 1739 1 6 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.329 -0.089 25849 1740 1 6 . 1 1 25 25 GLU C C 25 178.495 178.495 178.482 0.013 25849 1741 1 6 . 1 1 25 25 GLU CA C 25 58.763 58.763 56.288 2.474 25849 1742 1 6 . 1 1 25 25 GLU CB C 25 28.715 28.715 30.502 -1.787 25849 1743 1 6 . 1 1 26 26 PHE N N 26 121.062 121.062 124.600 -3.538 25849 1744 1 6 . 1 1 26 26 PHE HA H 26 4.631 4.631 3.942 0.689 25849 1745 1 6 . 1 1 26 26 PHE C C 26 176.071 176.071 175.822 0.249 25849 1746 1 6 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.282 -1.452 25849 1747 1 6 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.310 0.271 25849 1748 1 6 . 1 1 27 27 HIS N N 27 115.944 115.944 110.631 5.313 25849 1749 1 6 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.537 -0.503 25849 1750 1 6 . 1 1 27 27 HIS CA C 27 58.231 58.231 54.157 4.074 25849 1751 1 6 . 1 1 27 27 HIS CB C 27 29.096 29.096 28.471 0.625 25849 1752 1 6 . 1 1 28 28 CYS N N 28 113.854 113.854 119.882 -6.028 25849 1753 1 6 . 1 1 28 28 CYS C C 28 175.913 175.913 174.989 0.924 25849 1754 1 6 . 1 1 28 28 CYS CA C 28 51.047 51.047 61.170 -10.123 25849 1755 1 6 . 1 1 28 28 CYS CB C 28 49.898 49.898 28.601 21.297 25849 1756 1 6 . 1 1 29 29 LYS N N 29 121.350 121.350 117.215 4.135 25849 1757 1 6 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.447 -0.183 25849 1758 1 6 . 1 1 29 29 LYS C C 29 172.365 172.365 175.524 -3.159 25849 1759 1 6 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.084 0.988 25849 1760 1 6 . 1 1 29 29 LYS CB C 29 35.073 35.073 35.075 -0.001 25849 1761 1 6 . 1 1 30 30 LYS N N 30 117.744 117.744 120.128 -2.384 25849 1762 1 6 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.051 -0.335 25849 1763 1 6 . 1 1 30 30 LYS C C 30 174.932 174.932 175.954 -1.022 25849 1764 1 6 . 1 1 30 30 LYS CA C 30 55.928 55.928 58.639 -2.711 25849 1765 1 6 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.595 -0.047 25849 1766 1 6 . 1 1 31 31 TYR N N 31 113.437 113.437 114.151 -0.714 25849 1767 1 6 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.763 -0.263 25849 1768 1 6 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.744 -0.350 25849 1769 1 6 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.595 1.566 25849 1770 1 6 . 1 1 32 32 LEU N N 32 122.416 122.416 121.519 0.897 25849 1771 1 6 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.707 -0.086 25849 1772 1 6 . 1 1 32 32 LEU C C 32 177.448 177.448 176.986 0.462 25849 1773 1 6 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.045 -1.260 25849 1774 1 6 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.457 1.242 25849 1775 1 6 . 1 1 33 33 SER N N 33 119.021 119.021 115.072 3.949 25849 1776 1 6 . 1 1 33 33 SER HA H 33 4.495 4.495 4.849 -0.354 25849 1777 1 6 . 1 1 33 33 SER C C 33 174.599 174.599 175.731 -1.132 25849 1778 1 6 . 1 1 33 33 SER CA C 33 56.591 56.591 56.452 0.139 25849 1779 1 6 . 1 1 33 33 SER CB C 33 64.944 64.944 65.306 -0.362 25849 1780 1 6 . 1 1 34 34 LEU N N 34 121.555 121.555 123.639 -2.084 25849 1781 1 6 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.203 -0.297 25849 1782 1 6 . 1 1 34 34 LEU C C 34 179.869 179.869 179.075 0.794 25849 1783 1 6 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.667 0.251 25849 1784 1 6 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.672 0.713 25849 1785 1 6 . 1 1 35 35 THR N N 35 113.629 113.629 114.756 -1.127 25849 1786 1 6 . 1 1 35 35 THR HA H 35 3.861 3.861 3.920 -0.059 25849 1787 1 6 . 1 1 35 35 THR C C 35 176.846 176.846 176.346 0.500 25849 1788 1 6 . 1 1 35 35 THR CA C 35 65.790 65.790 66.331 -0.541 25849 1789 1 6 . 1 1 35 35 THR CB C 35 68.421 68.421 68.334 0.087 25849 1790 1 6 . 1 1 36 36 GLU N N 36 122.918 122.918 120.924 1.994 25849 1791 1 6 . 1 1 36 36 GLU HA H 36 3.911 3.911 3.971 -0.060 25849 1792 1 6 . 1 1 36 36 GLU C C 36 178.858 178.858 178.924 -0.066 25849 1793 1 6 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.620 -0.773 25849 1794 1 6 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.308 1.230 25849 1795 1 6 . 1 1 37 37 ARG N N 37 119.042 119.042 118.954 0.088 25849 1796 1 6 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.974 -0.290 25849 1797 1 6 . 1 1 37 37 ARG C C 37 177.748 177.748 179.023 -1.275 25849 1798 1 6 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.480 0.556 25849 1799 1 6 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.160 0.652 25849 1800 1 6 . 1 1 38 38 SER N N 38 113.447 113.447 114.924 -1.477 25849 1801 1 6 . 1 1 38 38 SER HA H 38 4.004 4.004 4.240 -0.236 25849 1802 1 6 . 1 1 38 38 SER C C 38 176.517 176.517 176.251 0.266 25849 1803 1 6 . 1 1 38 38 SER CA C 38 61.804 61.804 61.947 -0.143 25849 1804 1 6 . 1 1 38 38 SER CB C 38 62.810 62.810 63.068 -0.258 25849 1805 1 6 . 1 1 39 39 GLN N N 39 121.739 121.739 120.925 0.814 25849 1806 1 6 . 1 1 39 39 GLN HA H 39 4.047 4.047 3.949 0.098 25849 1807 1 6 . 1 1 39 39 GLN C C 39 178.889 178.889 178.341 0.548 25849 1808 1 6 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.273 -0.183 25849 1809 1 6 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.785 -0.470 25849 1810 1 6 . 1 1 40 40 ILE N N 40 121.471 121.471 114.326 7.145 25849 1811 1 6 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.999 -0.162 25849 1812 1 6 . 1 1 40 40 ILE C C 40 176.844 176.844 176.329 0.515 25849 1813 1 6 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.039 3.359 25849 1814 1 6 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.127 2.048 25849 1815 1 6 . 1 1 41 41 ALA N N 41 121.897 121.897 121.380 0.517 25849 1816 1 6 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.224 -0.630 25849 1817 1 6 . 1 1 41 41 ALA C C 41 179.238 179.238 178.559 0.679 25849 1818 1 6 . 1 1 41 41 ALA CA C 41 55.926 55.926 53.861 2.065 25849 1819 1 6 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.933 -2.349 25849 1820 1 6 . 1 1 42 42 HIS N N 42 114.139 114.139 121.369 -7.230 25849 1821 1 6 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.224 0.099 25849 1822 1 6 . 1 1 42 42 HIS C C 42 178.003 178.003 178.110 -0.107 25849 1823 1 6 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.654 -0.909 25849 1824 1 6 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.155 -1.393 25849 1825 1 6 . 1 1 43 43 ALA N N 43 121.931 121.931 121.084 0.847 25849 1826 1 6 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.255 -0.263 25849 1827 1 6 . 1 1 43 43 ALA C C 43 179.235 179.235 178.435 0.800 25849 1828 1 6 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.391 0.520 25849 1829 1 6 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.847 -0.444 25849 1830 1 6 . 1 1 44 44 LEU N N 44 114.067 114.067 116.375 -2.308 25849 1831 1 6 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.432 -0.193 25849 1832 1 6 . 1 1 44 44 LEU C C 44 175.891 175.891 176.580 -0.689 25849 1833 1 6 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.903 0.333 25849 1834 1 6 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.149 0.431 25849 1835 1 6 . 1 1 45 45 LYS N N 45 116.940 116.940 116.383 0.557 25849 1836 1 6 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.937 -0.060 25849 1837 1 6 . 1 1 45 45 LYS C C 45 175.207 175.207 176.115 -0.908 25849 1838 1 6 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.332 -0.078 25849 1839 1 6 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.114 -2.717 25849 1840 1 6 . 1 1 46 46 LEU N N 46 119.505 119.505 118.644 0.861 25849 1841 1 6 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.230 0.477 25849 1842 1 6 . 1 1 46 46 LEU C C 46 175.958 175.958 175.905 0.053 25849 1843 1 6 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.539 -2.200 25849 1844 1 6 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.344 3.968 25849 1845 1 6 . 1 1 47 47 SER N N 47 114.844 114.844 113.865 0.979 25849 1846 1 6 . 1 1 47 47 SER HA H 47 4.641 4.641 4.470 0.171 25849 1847 1 6 . 1 1 47 47 SER C C 47 175.899 175.899 175.759 0.140 25849 1848 1 6 . 1 1 47 47 SER CA C 47 56.675 56.675 58.348 -1.673 25849 1849 1 6 . 1 1 47 47 SER CB C 47 64.911 64.911 64.041 0.870 25849 1850 1 6 . 1 1 48 48 GLU N N 48 122.920 122.920 123.680 -0.760 25849 1851 1 6 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.091 -0.496 25849 1852 1 6 . 1 1 48 48 GLU C C 48 178.430 178.430 178.858 -0.428 25849 1853 1 6 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.946 1.169 25849 1854 1 6 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.584 -0.574 25849 1855 1 6 . 1 1 49 49 VAL N N 49 118.053 118.053 119.338 -1.285 25849 1856 1 6 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.721 -0.031 25849 1857 1 6 . 1 1 49 49 VAL C C 49 177.001 177.001 178.077 -1.076 25849 1858 1 6 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.928 -0.175 25849 1859 1 6 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.346 0.463 25849 1860 1 6 . 1 1 50 50 GLN N N 50 119.121 119.121 118.629 0.492 25849 1861 1 6 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.198 -0.124 25849 1862 1 6 . 1 1 50 50 GLN C C 50 179.480 179.480 178.944 0.536 25849 1863 1 6 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.121 0.133 25849 1864 1 6 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.508 1.149 25849 1865 1 6 . 1 1 51 51 VAL N N 51 118.983 118.983 119.116 -0.133 25849 1866 1 6 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.204 -0.560 25849 1867 1 6 . 1 1 51 51 VAL C C 51 176.652 176.652 177.678 -1.026 25849 1868 1 6 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.092 0.329 25849 1869 1 6 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.446 0.714 25849 1870 1 6 . 1 1 52 52 LYS N N 52 120.962 120.962 121.268 -0.306 25849 1871 1 6 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.139 0.028 25849 1872 1 6 . 1 1 52 52 LYS C C 52 179.592 179.592 179.208 0.384 25849 1873 1 6 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.594 0.353 25849 1874 1 6 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.112 1.179 25849 1875 1 6 . 1 1 53 53 ILE N N 53 120.085 120.085 120.081 0.004 25849 1876 1 6 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.926 -0.191 25849 1877 1 6 . 1 1 53 53 ILE C C 53 177.452 177.452 177.579 -0.127 25849 1878 1 6 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.500 -0.274 25849 1879 1 6 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.986 0.040 25849 1880 1 6 . 1 1 54 54 TRP N N 54 122.169 122.169 122.967 -0.798 25849 1881 1 6 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.115 -0.128 25849 1882 1 6 . 1 1 54 54 TRP C C 54 179.143 179.143 177.865 1.278 25849 1883 1 6 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.250 1.342 25849 1884 1 6 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.392 -0.452 25849 1885 1 6 . 1 1 55 55 PHE N N 55 118.530 118.530 116.935 1.595 25849 1886 1 6 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.127 -0.473 25849 1887 1 6 . 1 1 55 55 PHE C C 55 177.833 177.833 178.130 -0.297 25849 1888 1 6 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.012 0.190 25849 1889 1 6 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.730 0.809 25849 1890 1 6 . 1 1 56 56 GLN N N 56 118.313 118.313 117.190 1.123 25849 1891 1 6 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.911 -0.022 25849 1892 1 6 . 1 1 56 56 GLN C C 56 179.052 179.052 177.798 1.254 25849 1893 1 6 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.233 0.252 25849 1894 1 6 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.095 0.474 25849 1895 1 6 . 1 1 57 57 ASN N N 57 119.607 119.607 117.204 2.403 25849 1896 1 6 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.476 -0.196 25849 1897 1 6 . 1 1 57 57 ASN C C 57 177.385 177.385 176.410 0.975 25849 1898 1 6 . 1 1 57 57 ASN CA C 57 55.392 55.392 55.594 -0.202 25849 1899 1 6 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.410 -0.577 25849 1900 1 6 . 1 1 58 58 GLU N N 58 124.516 124.516 120.284 4.232 25849 1901 1 6 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.745 -0.384 25849 1902 1 6 . 1 1 58 58 GLU C C 58 179.522 179.522 178.168 1.354 25849 1903 1 6 . 1 1 58 58 GLU CA C 58 58.287 58.287 57.913 0.373 25849 1904 1 6 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.704 -1.172 25849 1905 1 6 . 1 1 59 59 ARG N N 59 118.692 118.692 120.064 -1.372 25849 1906 1 6 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.414 -0.274 25849 1907 1 6 . 1 1 59 59 ARG C C 59 178.813 178.813 178.747 0.066 25849 1908 1 6 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.938 0.975 25849 1909 1 6 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.302 1.389 25849 1910 1 6 . 1 1 60 60 ALA N N 60 120.662 120.662 118.710 1.952 25849 1911 1 6 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.342 -0.259 25849 1912 1 6 . 1 1 60 60 ALA C C 60 179.753 179.753 177.475 2.278 25849 1913 1 6 . 1 1 60 60 ALA CA C 60 54.800 54.800 53.965 0.835 25849 1914 1 6 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.311 -0.413 25849 1915 1 6 . 1 1 61 61 LYS N N 61 118.620 118.620 118.569 0.051 25849 1916 1 6 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.221 -0.380 25849 1917 1 6 . 1 1 61 61 LYS C C 61 177.994 177.994 178.782 -0.788 25849 1918 1 6 . 1 1 61 61 LYS CA C 61 58.772 58.772 57.863 0.909 25849 1919 1 6 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.696 -0.201 25849 1920 1 6 . 1 1 62 62 TRP N N 62 120.517 120.517 124.136 -3.619 25849 1921 1 6 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.322 0.005 25849 1922 1 6 . 1 1 62 62 TRP C C 62 177.118 177.118 178.165 -1.047 25849 1923 1 6 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.940 -2.604 25849 1924 1 6 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.097 -0.978 25849 1925 1 6 . 1 1 63 63 LYS N N 63 119.074 119.074 117.910 1.164 25849 1926 1 6 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.146 -0.351 25849 1927 1 6 . 1 1 63 63 LYS C C 63 177.429 177.429 179.285 -1.856 25849 1928 1 6 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.525 -1.436 25849 1929 1 6 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.145 0.600 25849 1930 1 6 . 1 1 64 64 ARG N N 64 118.825 118.825 117.445 1.380 25849 1931 1 6 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.160 -0.076 25849 1932 1 6 . 1 1 64 64 ARG C C 64 177.231 177.231 177.635 -0.404 25849 1933 1 6 . 1 1 64 64 ARG CA C 64 57.470 57.470 57.638 -0.168 25849 1934 1 6 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.114 0.164 25849 1935 1 6 . 1 1 65 65 ILE N N 65 120.523 120.523 117.731 2.792 25849 1936 1 6 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.810 0.063 25849 1937 1 6 . 1 1 65 65 ILE C C 65 177.198 177.198 176.150 1.048 25849 1938 1 6 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.254 0.138 25849 1939 1 6 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.656 0.743 25849 1940 1 6 . 1 1 66 66 LYS N N 66 123.201 123.201 121.856 1.345 25849 1941 1 6 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.186 -0.113 25849 1942 1 6 . 1 1 66 66 LYS C C 66 176.387 176.387 176.872 -0.485 25849 1943 1 6 . 1 1 66 66 LYS CA C 66 56.625 56.625 55.973 0.652 25849 1944 1 6 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.924 1.440 25849 1945 1 6 . 1 1 67 67 ALA N N 67 123.500 123.500 127.738 -4.238 25849 1946 1 6 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.162 0.040 25849 1947 1 6 . 1 1 67 67 ALA C C 67 177.870 177.870 177.734 0.136 25849 1948 1 6 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.023 -1.440 25849 1949 1 6 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.138 -0.052 25849 1950 1 6 . 1 1 68 68 GLY N N 68 107.120 107.120 106.625 0.495 25849 1951 1 6 . 1 1 68 68 GLY C C 68 173.688 173.688 174.405 -0.717 25849 1952 1 6 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.697 0.651 25849 1953 1 6 . 1 1 69 69 ASN N N 69 118.671 118.671 117.034 1.637 25849 1954 1 6 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.581 0.102 25849 1955 1 6 . 1 1 69 69 ASN C C 69 174.792 174.792 175.415 -0.623 25849 1956 1 6 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.026 -0.017 25849 1957 1 6 . 1 1 69 69 ASN CB C 69 39.064 39.064 37.907 1.157 25849 1958 1 6 . 1 1 70 70 VAL N N 70 119.480 119.480 120.161 -0.681 25849 1959 1 6 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.116 0.014 25849 1960 1 6 . 1 1 70 70 VAL C C 70 175.126 175.126 176.254 -1.128 25849 1961 1 6 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.824 -1.733 25849 1962 1 6 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.463 1.400 25849 1963 1 7 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.585 -0.220 25849 1964 1 7 . 1 1 3 3 PRO C C 3 177.410 177.410 176.705 0.705 25849 1965 1 7 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.550 0.711 25849 1966 1 7 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.639 -0.857 25849 1967 1 7 . 1 1 4 4 GLY N N 4 109.481 109.481 108.746 0.735 25849 1968 1 7 . 1 1 4 4 GLY C C 4 173.688 173.688 173.838 -0.150 25849 1969 1 7 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.563 -0.488 25849 1970 1 7 . 1 1 5 5 GLY N N 5 108.665 108.665 108.823 -0.158 25849 1971 1 7 . 1 1 5 5 GLY C C 5 174.231 174.231 174.875 -0.644 25849 1972 1 7 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.861 0.521 25849 1973 1 7 . 1 1 6 6 LYS N N 6 120.860 120.860 121.541 -0.681 25849 1974 1 7 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.280 -0.024 25849 1975 1 7 . 1 1 6 6 LYS C C 6 176.715 176.715 176.859 -0.144 25849 1976 1 7 . 1 1 6 6 LYS CA C 6 56.292 56.292 57.126 -0.834 25849 1977 1 7 . 1 1 6 6 LYS CB C 6 32.806 32.806 33.121 -0.315 25849 1978 1 7 . 1 1 7 7 SER N N 7 116.762 116.762 114.926 1.836 25849 1979 1 7 . 1 1 7 7 SER HA H 7 4.344 4.344 4.550 -0.206 25849 1980 1 7 . 1 1 7 7 SER C C 7 174.437 174.437 173.288 1.149 25849 1981 1 7 . 1 1 7 7 SER CA C 7 58.373 58.373 58.564 -0.191 25849 1982 1 7 . 1 1 7 7 SER CB C 7 63.557 63.557 63.563 -0.007 25849 1983 1 7 . 1 1 8 8 ARG N N 8 123.315 123.315 124.780 -1.465 25849 1984 1 7 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.004 0.259 25849 1985 1 7 . 1 1 8 8 ARG C C 8 176.017 176.017 175.669 0.348 25849 1986 1 7 . 1 1 8 8 ARG CA C 8 55.951 55.951 57.000 -1.049 25849 1987 1 7 . 1 1 8 8 ARG CB C 8 30.533 30.533 28.829 1.704 25849 1988 1 7 . 1 1 9 9 ARG N N 9 122.423 122.423 120.271 2.152 25849 1989 1 7 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.379 -0.151 25849 1990 1 7 . 1 1 9 9 ARG C C 9 176.001 176.001 175.899 0.102 25849 1991 1 7 . 1 1 9 9 ARG CA C 9 55.936 55.936 56.286 -0.350 25849 1992 1 7 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.590 -0.965 25849 1993 1 7 . 1 1 10 10 ARG N N 10 123.297 123.297 120.731 2.566 25849 1994 1 7 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.577 -0.328 25849 1995 1 7 . 1 1 10 10 ARG C C 10 176.008 176.008 175.899 0.109 25849 1996 1 7 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.892 -0.026 25849 1997 1 7 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.298 0.418 25849 1998 1 7 . 1 1 11 11 ARG N N 11 123.308 123.308 123.555 -0.247 25849 1999 1 7 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.382 -0.070 25849 2000 1 7 . 1 1 11 11 ARG C C 11 176.115 176.115 175.611 0.504 25849 2001 1 7 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.930 -0.851 25849 2002 1 7 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.380 0.403 25849 2003 1 7 . 1 1 12 12 THR N N 12 116.294 116.294 112.329 3.965 25849 2004 1 7 . 1 1 12 12 THR HA H 12 4.193 4.193 4.462 -0.269 25849 2005 1 7 . 1 1 12 12 THR C C 12 173.498 173.498 173.920 -0.422 25849 2006 1 7 . 1 1 12 12 THR CA C 12 61.491 61.491 61.183 0.308 25849 2007 1 7 . 1 1 12 12 THR CB C 12 69.706 69.706 70.314 -0.608 25849 2008 1 7 . 1 1 13 13 ALA N N 13 127.117 127.117 124.334 2.783 25849 2009 1 7 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.381 -0.160 25849 2010 1 7 . 1 1 13 13 ALA C C 13 176.874 176.874 176.363 0.511 25849 2011 1 7 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.466 -0.443 25849 2012 1 7 . 1 1 13 13 ALA CB C 13 19.632 19.632 17.263 2.369 25849 2013 1 7 . 1 1 14 14 PHE N N 14 118.798 118.798 119.253 -0.455 25849 2014 1 7 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.842 0.050 25849 2015 1 7 . 1 1 14 14 PHE C C 14 176.653 176.653 176.428 0.225 25849 2016 1 7 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.614 -0.480 25849 2017 1 7 . 1 1 14 14 PHE CB C 14 40.512 40.512 40.793 -0.281 25849 2018 1 7 . 1 1 15 15 THR N N 15 113.522 113.522 115.027 -1.505 25849 2019 1 7 . 1 1 15 15 THR HA H 15 4.426 4.426 4.659 -0.233 25849 2020 1 7 . 1 1 15 15 THR C C 15 175.371 175.371 175.471 -0.100 25849 2021 1 7 . 1 1 15 15 THR CA C 15 60.434 60.434 60.279 0.155 25849 2022 1 7 . 1 1 15 15 THR CB C 15 70.826 70.826 70.787 0.039 25849 2023 1 7 . 1 1 16 16 SER N N 16 116.611 116.611 116.509 0.102 25849 2024 1 7 . 1 1 16 16 SER HA H 16 3.862 3.862 4.298 -0.436 25849 2025 1 7 . 1 1 16 16 SER C C 16 176.742 176.742 175.746 0.996 25849 2026 1 7 . 1 1 16 16 SER CA C 16 62.165 62.165 60.299 1.866 25849 2027 1 7 . 1 1 16 16 SER CB C 16 61.908 61.908 62.797 -0.889 25849 2028 1 7 . 1 1 17 17 GLU N N 17 120.901 120.901 119.545 1.356 25849 2029 1 7 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.094 -0.151 25849 2030 1 7 . 1 1 17 17 GLU C C 17 178.802 178.802 178.030 0.772 25849 2031 1 7 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.038 1.043 25849 2032 1 7 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.540 -0.434 25849 2033 1 7 . 1 1 18 18 GLN N N 18 118.523 118.523 117.226 1.297 25849 2034 1 7 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.130 -0.384 25849 2035 1 7 . 1 1 18 18 GLN C C 18 177.493 177.493 178.698 -1.205 25849 2036 1 7 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.026 0.858 25849 2037 1 7 . 1 1 18 18 GLN CB C 18 28.058 28.058 29.092 -1.034 25849 2038 1 7 . 1 1 19 19 LEU N N 19 117.349 117.349 118.993 -1.644 25849 2039 1 7 . 1 1 19 19 LEU HA H 19 3.532 3.532 4.027 -0.495 25849 2040 1 7 . 1 1 19 19 LEU C C 19 178.289 178.289 177.102 1.187 25849 2041 1 7 . 1 1 19 19 LEU CA C 19 57.719 57.719 55.206 2.513 25849 2042 1 7 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.448 0.542 25849 2043 1 7 . 1 1 20 20 LEU N N 20 118.800 118.800 120.469 -1.669 25849 2044 1 7 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.973 -0.101 25849 2045 1 7 . 1 1 20 20 LEU C C 20 179.808 179.808 178.407 1.401 25849 2046 1 7 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.037 0.295 25849 2047 1 7 . 1 1 20 20 LEU CB C 20 42.004 42.004 42.279 -0.275 25849 2048 1 7 . 1 1 21 21 GLU N N 21 118.036 118.036 117.903 0.133 25849 2049 1 7 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.053 -0.016 25849 2050 1 7 . 1 1 21 21 GLU C C 21 175.996 175.996 179.106 -3.110 25849 2051 1 7 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.957 -0.547 25849 2052 1 7 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.216 0.597 25849 2053 1 7 . 1 1 22 22 LEU N N 22 121.854 121.854 118.575 3.279 25849 2054 1 7 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.853 -0.367 25849 2055 1 7 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.205 1.050 25849 2056 1 7 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.007 -2.572 25849 2057 1 7 . 1 1 23 23 ARG N N 23 116.956 116.956 118.223 -1.267 25849 2058 1 7 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.290 -0.365 25849 2059 1 7 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.931 1.217 25849 2060 1 7 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.463 -0.452 25849 2061 1 7 . 1 1 24 24 LYS N N 24 121.392 121.392 121.072 0.320 25849 2062 1 7 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.131 -0.150 25849 2063 1 7 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.695 0.014 25849 2064 1 7 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.438 0.004 25849 2065 1 7 . 1 1 25 25 GLU N N 25 119.698 119.698 117.800 1.898 25849 2066 1 7 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.111 0.129 25849 2067 1 7 . 1 1 25 25 GLU C C 25 178.495 178.495 178.483 0.012 25849 2068 1 7 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.278 0.485 25849 2069 1 7 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.428 -0.713 25849 2070 1 7 . 1 1 26 26 PHE N N 26 121.062 121.062 120.020 1.042 25849 2071 1 7 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.339 0.292 25849 2072 1 7 . 1 1 26 26 PHE C C 26 176.071 176.071 176.032 0.039 25849 2073 1 7 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.879 -1.049 25849 2074 1 7 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.103 0.478 25849 2075 1 7 . 1 1 27 27 HIS N N 27 115.944 115.944 114.448 1.496 25849 2076 1 7 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.130 -0.096 25849 2077 1 7 . 1 1 27 27 HIS CA C 27 58.231 58.231 55.915 2.316 25849 2078 1 7 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.166 -0.070 25849 2079 1 7 . 1 1 28 28 CYS N N 28 113.854 113.854 115.739 -1.885 25849 2080 1 7 . 1 1 28 28 CYS C C 28 175.913 175.913 174.862 1.051 25849 2081 1 7 . 1 1 28 28 CYS CA C 28 51.047 51.047 58.538 -7.491 25849 2082 1 7 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.729 19.169 25849 2083 1 7 . 1 1 29 29 LYS N N 29 121.350 121.350 124.017 -2.667 25849 2084 1 7 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.261 0.003 25849 2085 1 7 . 1 1 29 29 LYS C C 29 172.365 172.365 177.163 -4.798 25849 2086 1 7 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.484 0.588 25849 2087 1 7 . 1 1 29 29 LYS CB C 29 35.073 35.073 30.972 4.101 25849 2088 1 7 . 1 1 30 30 LYS N N 30 117.744 117.744 122.862 -5.118 25849 2089 1 7 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.845 -0.129 25849 2090 1 7 . 1 1 30 30 LYS C C 30 174.932 174.932 175.597 -0.665 25849 2091 1 7 . 1 1 30 30 LYS CA C 30 55.928 55.928 58.773 -2.845 25849 2092 1 7 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.611 -0.063 25849 2093 1 7 . 1 1 31 31 TYR N N 31 113.437 113.437 113.105 0.332 25849 2094 1 7 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.723 -0.223 25849 2095 1 7 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.829 0.565 25849 2096 1 7 . 1 1 31 31 TYR CB C 31 41.161 41.161 40.041 1.120 25849 2097 1 7 . 1 1 32 32 LEU N N 32 122.416 122.416 123.639 -1.223 25849 2098 1 7 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.409 0.212 25849 2099 1 7 . 1 1 32 32 LEU C C 32 177.448 177.448 177.514 -0.066 25849 2100 1 7 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.800 -2.015 25849 2101 1 7 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.020 2.679 25849 2102 1 7 . 1 1 33 33 SER N N 33 119.021 119.021 119.566 -0.545 25849 2103 1 7 . 1 1 33 33 SER HA H 33 4.495 4.495 4.524 -0.029 25849 2104 1 7 . 1 1 33 33 SER C C 33 174.599 174.599 175.757 -1.158 25849 2105 1 7 . 1 1 33 33 SER CA C 33 56.591 56.591 58.486 -1.895 25849 2106 1 7 . 1 1 33 33 SER CB C 33 64.944 64.944 63.994 0.950 25849 2107 1 7 . 1 1 34 34 LEU N N 34 121.555 121.555 122.679 -1.124 25849 2108 1 7 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.184 -0.278 25849 2109 1 7 . 1 1 34 34 LEU C C 34 179.869 179.869 177.541 2.328 25849 2110 1 7 . 1 1 34 34 LEU CA C 34 58.918 58.918 57.253 1.665 25849 2111 1 7 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.495 0.889 25849 2112 1 7 . 1 1 35 35 THR N N 35 113.629 113.629 114.761 -1.132 25849 2113 1 7 . 1 1 35 35 THR HA H 35 3.861 3.861 4.244 -0.383 25849 2114 1 7 . 1 1 35 35 THR C C 35 176.846 176.846 176.561 0.285 25849 2115 1 7 . 1 1 35 35 THR CA C 35 65.790 65.790 64.581 1.209 25849 2116 1 7 . 1 1 35 35 THR CB C 35 68.421 68.421 68.948 -0.527 25849 2117 1 7 . 1 1 36 36 GLU N N 36 122.918 122.918 122.577 0.341 25849 2118 1 7 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.013 -0.102 25849 2119 1 7 . 1 1 36 36 GLU C C 36 178.858 178.858 178.754 0.104 25849 2120 1 7 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.889 -1.042 25849 2121 1 7 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.194 1.344 25849 2122 1 7 . 1 1 37 37 ARG N N 37 119.042 119.042 118.285 0.757 25849 2123 1 7 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.004 -0.320 25849 2124 1 7 . 1 1 37 37 ARG C C 37 177.748 177.748 178.247 -0.499 25849 2125 1 7 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.884 1.152 25849 2126 1 7 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.150 0.662 25849 2127 1 7 . 1 1 38 38 SER N N 38 113.447 113.447 114.625 -1.178 25849 2128 1 7 . 1 1 38 38 SER HA H 38 4.004 4.004 4.194 -0.190 25849 2129 1 7 . 1 1 38 38 SER C C 38 176.517 176.517 176.168 0.349 25849 2130 1 7 . 1 1 38 38 SER CA C 38 61.804 61.804 60.832 0.972 25849 2131 1 7 . 1 1 38 38 SER CB C 38 62.810 62.810 63.016 -0.206 25849 2132 1 7 . 1 1 39 39 GLN N N 39 121.739 121.739 122.548 -0.809 25849 2133 1 7 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.098 -0.051 25849 2134 1 7 . 1 1 39 39 GLN C C 39 178.889 178.889 178.621 0.268 25849 2135 1 7 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.175 -0.085 25849 2136 1 7 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.978 -0.663 25849 2137 1 7 . 1 1 40 40 ILE N N 40 121.471 121.471 115.415 6.056 25849 2138 1 7 . 1 1 40 40 ILE HA H 40 3.837 3.837 4.000 -0.163 25849 2139 1 7 . 1 1 40 40 ILE C C 40 176.844 176.844 176.408 0.436 25849 2140 1 7 . 1 1 40 40 ILE CA C 40 64.398 64.398 60.989 3.409 25849 2141 1 7 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.203 1.972 25849 2142 1 7 . 1 1 41 41 ALA N N 41 121.897 121.897 121.449 0.448 25849 2143 1 7 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.226 -0.632 25849 2144 1 7 . 1 1 41 41 ALA C C 41 179.238 179.238 178.913 0.325 25849 2145 1 7 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.261 1.665 25849 2146 1 7 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.984 -2.400 25849 2147 1 7 . 1 1 42 42 HIS N N 42 114.139 114.139 119.795 -5.656 25849 2148 1 7 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.319 0.004 25849 2149 1 7 . 1 1 42 42 HIS C C 42 178.003 178.003 177.650 0.353 25849 2150 1 7 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.272 -0.527 25849 2151 1 7 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.478 -0.716 25849 2152 1 7 . 1 1 43 43 ALA N N 43 121.931 121.931 122.229 -0.298 25849 2153 1 7 . 1 1 43 43 ALA HA H 43 3.992 3.992 3.808 0.184 25849 2154 1 7 . 1 1 43 43 ALA C C 43 179.235 179.235 178.089 1.146 25849 2155 1 7 . 1 1 43 43 ALA CA C 43 54.911 54.911 53.755 1.156 25849 2156 1 7 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.414 -0.011 25849 2157 1 7 . 1 1 44 44 LEU N N 44 114.067 114.067 115.970 -1.903 25849 2158 1 7 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.383 -0.144 25849 2159 1 7 . 1 1 44 44 LEU C C 44 175.891 175.891 176.218 -0.327 25849 2160 1 7 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.897 0.339 25849 2161 1 7 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.173 0.407 25849 2162 1 7 . 1 1 45 45 LYS N N 45 116.940 116.940 117.048 -0.108 25849 2163 1 7 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.975 -0.098 25849 2164 1 7 . 1 1 45 45 LYS C C 45 175.207 175.207 175.469 -0.262 25849 2165 1 7 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.451 -0.197 25849 2166 1 7 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.552 -2.155 25849 2167 1 7 . 1 1 46 46 LEU N N 46 119.505 119.505 117.391 2.114 25849 2168 1 7 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.424 0.283 25849 2169 1 7 . 1 1 46 46 LEU C C 46 175.958 175.958 175.702 0.256 25849 2170 1 7 . 1 1 46 46 LEU CA C 46 52.339 52.339 52.760 -0.420 25849 2171 1 7 . 1 1 46 46 LEU CB C 46 47.312 47.312 44.101 3.211 25849 2172 1 7 . 1 1 47 47 SER N N 47 114.844 114.844 114.633 0.211 25849 2173 1 7 . 1 1 47 47 SER HA H 47 4.641 4.641 4.468 0.173 25849 2174 1 7 . 1 1 47 47 SER C C 47 175.899 175.899 175.848 0.051 25849 2175 1 7 . 1 1 47 47 SER CA C 47 56.675 56.675 56.979 -0.304 25849 2176 1 7 . 1 1 47 47 SER CB C 47 64.911 64.911 64.535 0.376 25849 2177 1 7 . 1 1 48 48 GLU N N 48 122.920 122.920 124.655 -1.735 25849 2178 1 7 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.093 -0.498 25849 2179 1 7 . 1 1 48 48 GLU C C 48 178.430 178.430 178.189 0.241 25849 2180 1 7 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.422 1.693 25849 2181 1 7 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.720 -0.709 25849 2182 1 7 . 1 1 49 49 VAL N N 49 118.053 118.053 119.068 -1.015 25849 2183 1 7 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.857 -0.167 25849 2184 1 7 . 1 1 49 49 VAL C C 49 177.001 177.001 177.964 -0.963 25849 2185 1 7 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.122 -0.369 25849 2186 1 7 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.334 0.475 25849 2187 1 7 . 1 1 50 50 GLN N N 50 119.121 119.121 119.143 -0.022 25849 2188 1 7 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.213 -0.139 25849 2189 1 7 . 1 1 50 50 GLN C C 50 179.480 179.480 179.257 0.223 25849 2190 1 7 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.271 -0.017 25849 2191 1 7 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.406 1.251 25849 2192 1 7 . 1 1 51 51 VAL N N 51 118.983 118.983 119.205 -0.222 25849 2193 1 7 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.051 -0.407 25849 2194 1 7 . 1 1 51 51 VAL C C 51 176.652 176.652 177.881 -1.229 25849 2195 1 7 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.726 0.695 25849 2196 1 7 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.008 1.152 25849 2197 1 7 . 1 1 52 52 LYS N N 52 120.962 120.962 121.059 -0.097 25849 2198 1 7 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.213 -0.046 25849 2199 1 7 . 1 1 52 52 LYS C C 52 179.592 179.592 179.423 0.169 25849 2200 1 7 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.805 0.143 25849 2201 1 7 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.060 1.231 25849 2202 1 7 . 1 1 53 53 ILE N N 53 120.085 120.085 119.588 0.497 25849 2203 1 7 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.868 -0.133 25849 2204 1 7 . 1 1 53 53 ILE C C 53 177.452 177.452 177.821 -0.369 25849 2205 1 7 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.846 -0.620 25849 2206 1 7 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.802 0.224 25849 2207 1 7 . 1 1 54 54 TRP N N 54 122.169 122.169 122.917 -0.748 25849 2208 1 7 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.070 -0.083 25849 2209 1 7 . 1 1 54 54 TRP C C 54 179.143 179.143 177.922 1.221 25849 2210 1 7 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.950 1.642 25849 2211 1 7 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.686 -0.746 25849 2212 1 7 . 1 1 55 55 PHE N N 55 118.530 118.530 117.302 1.228 25849 2213 1 7 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.249 -0.595 25849 2214 1 7 . 1 1 55 55 PHE C C 55 177.833 177.833 178.279 -0.446 25849 2215 1 7 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.806 0.396 25849 2216 1 7 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.167 0.372 25849 2217 1 7 . 1 1 56 56 GLN N N 56 118.313 118.313 119.009 -0.696 25849 2218 1 7 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.024 -0.135 25849 2219 1 7 . 1 1 56 56 GLN C C 56 179.052 179.052 178.218 0.834 25849 2220 1 7 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.987 0.498 25849 2221 1 7 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.102 0.467 25849 2222 1 7 . 1 1 57 57 ASN N N 57 119.607 119.607 118.843 0.764 25849 2223 1 7 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.317 -0.036 25849 2224 1 7 . 1 1 57 57 ASN C C 57 177.385 177.385 177.704 -0.319 25849 2225 1 7 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.344 -0.952 25849 2226 1 7 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.253 -0.420 25849 2227 1 7 . 1 1 58 58 GLU N N 58 124.516 124.516 120.268 4.248 25849 2228 1 7 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.890 -0.529 25849 2229 1 7 . 1 1 58 58 GLU C C 58 179.522 179.522 178.381 1.141 25849 2230 1 7 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.047 0.240 25849 2231 1 7 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.831 -1.299 25849 2232 1 7 . 1 1 59 59 ARG N N 59 118.692 118.692 120.229 -1.537 25849 2233 1 7 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.480 -0.340 25849 2234 1 7 . 1 1 59 59 ARG C C 59 178.813 178.813 178.913 -0.100 25849 2235 1 7 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.777 1.136 25849 2236 1 7 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.524 1.167 25849 2237 1 7 . 1 1 60 60 ALA N N 60 120.662 120.662 120.028 0.634 25849 2238 1 7 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.257 -0.174 25849 2239 1 7 . 1 1 60 60 ALA C C 60 179.753 179.753 178.564 1.189 25849 2240 1 7 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.828 -0.028 25849 2241 1 7 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.508 -0.610 25849 2242 1 7 . 1 1 61 61 LYS N N 61 118.620 118.620 118.411 0.209 25849 2243 1 7 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.036 -0.195 25849 2244 1 7 . 1 1 61 61 LYS C C 61 177.994 177.994 178.940 -0.946 25849 2245 1 7 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.718 0.055 25849 2246 1 7 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.194 0.301 25849 2247 1 7 . 1 1 62 62 TRP N N 62 120.517 120.517 122.605 -2.088 25849 2248 1 7 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.358 -0.031 25849 2249 1 7 . 1 1 62 62 TRP C C 62 177.118 177.118 177.706 -0.588 25849 2250 1 7 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.472 -2.136 25849 2251 1 7 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.908 -0.789 25849 2252 1 7 . 1 1 63 63 LYS N N 63 119.074 119.074 117.954 1.120 25849 2253 1 7 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.142 -0.347 25849 2254 1 7 . 1 1 63 63 LYS C C 63 177.429 177.429 178.618 -1.189 25849 2255 1 7 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.003 -0.914 25849 2256 1 7 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.036 0.709 25849 2257 1 7 . 1 1 64 64 ARG N N 64 118.825 118.825 117.629 1.196 25849 2258 1 7 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.254 -0.170 25849 2259 1 7 . 1 1 64 64 ARG C C 64 177.231 177.231 178.049 -0.818 25849 2260 1 7 . 1 1 64 64 ARG CA C 64 57.470 57.470 57.798 -0.328 25849 2261 1 7 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.382 -0.104 25849 2262 1 7 . 1 1 65 65 ILE N N 65 120.523 120.523 118.769 1.754 25849 2263 1 7 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.736 0.137 25849 2264 1 7 . 1 1 65 65 ILE C C 65 177.198 177.198 176.545 0.653 25849 2265 1 7 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.984 -0.592 25849 2266 1 7 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.836 0.562 25849 2267 1 7 . 1 1 66 66 LYS N N 66 123.201 123.201 121.003 2.198 25849 2268 1 7 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.044 0.029 25849 2269 1 7 . 1 1 66 66 LYS C C 66 176.387 176.387 176.746 -0.359 25849 2270 1 7 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.649 -0.024 25849 2271 1 7 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.024 2.340 25849 2272 1 7 . 1 1 67 67 ALA N N 67 123.500 123.500 124.358 -0.858 25849 2273 1 7 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.101 0.101 25849 2274 1 7 . 1 1 67 67 ALA C C 67 177.870 177.870 178.615 -0.745 25849 2275 1 7 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.098 -1.515 25849 2276 1 7 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.189 -0.103 25849 2277 1 7 . 1 1 68 68 GLY N N 68 107.120 107.120 106.662 0.458 25849 2278 1 7 . 1 1 68 68 GLY C C 68 173.688 173.688 173.879 -0.191 25849 2279 1 7 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.871 0.477 25849 2280 1 7 . 1 1 69 69 ASN N N 69 118.671 118.671 121.386 -2.715 25849 2281 1 7 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.809 -0.126 25849 2282 1 7 . 1 1 69 69 ASN C C 69 174.792 174.792 175.786 -0.994 25849 2283 1 7 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.728 -0.719 25849 2284 1 7 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.612 -0.548 25849 2285 1 7 . 1 1 70 70 VAL N N 70 119.480 119.480 120.264 -0.784 25849 2286 1 7 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.966 0.164 25849 2287 1 7 . 1 1 70 70 VAL C C 70 175.126 175.126 175.938 -0.812 25849 2288 1 7 . 1 1 70 70 VAL CA C 70 62.091 62.091 64.456 -2.365 25849 2289 1 7 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.124 0.739 25849 2290 1 8 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.498 -0.133 25849 2291 1 8 . 1 1 3 3 PRO C C 3 177.410 177.410 176.251 1.159 25849 2292 1 8 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.311 0.950 25849 2293 1 8 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.608 -0.826 25849 2294 1 8 . 1 1 4 4 GLY N N 4 109.481 109.481 106.842 2.639 25849 2295 1 8 . 1 1 4 4 GLY C C 4 173.688 173.688 174.407 -0.719 25849 2296 1 8 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.039 0.036 25849 2297 1 8 . 1 1 5 5 GLY N N 5 108.665 108.665 111.036 -2.371 25849 2298 1 8 . 1 1 5 5 GLY C C 5 174.231 174.231 173.715 0.516 25849 2299 1 8 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.643 0.739 25849 2300 1 8 . 1 1 6 6 LYS N N 6 120.860 120.860 119.747 1.113 25849 2301 1 8 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.354 -0.098 25849 2302 1 8 . 1 1 6 6 LYS C C 6 176.715 176.715 176.069 0.646 25849 2303 1 8 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.204 0.088 25849 2304 1 8 . 1 1 6 6 LYS CB C 6 32.806 32.806 33.028 -0.222 25849 2305 1 8 . 1 1 7 7 SER N N 7 116.762 116.762 113.942 2.820 25849 2306 1 8 . 1 1 7 7 SER HA H 7 4.344 4.344 4.109 0.235 25849 2307 1 8 . 1 1 7 7 SER C C 7 174.437 174.437 173.624 0.813 25849 2308 1 8 . 1 1 7 7 SER CA C 7 58.373 58.373 59.265 -0.892 25849 2309 1 8 . 1 1 7 7 SER CB C 7 63.557 63.557 62.652 0.905 25849 2310 1 8 . 1 1 8 8 ARG N N 8 123.315 123.315 121.831 1.484 25849 2311 1 8 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.232 0.031 25849 2312 1 8 . 1 1 8 8 ARG C C 8 176.017 176.017 176.260 -0.243 25849 2313 1 8 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.258 -0.307 25849 2314 1 8 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.322 0.211 25849 2315 1 8 . 1 1 9 9 ARG N N 9 122.423 122.423 121.501 0.922 25849 2316 1 8 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.020 0.208 25849 2317 1 8 . 1 1 9 9 ARG C C 9 176.001 176.001 175.418 0.583 25849 2318 1 8 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.671 0.265 25849 2319 1 8 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.267 -0.642 25849 2320 1 8 . 1 1 10 10 ARG N N 10 123.297 123.297 123.583 -0.286 25849 2321 1 8 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.242 0.007 25849 2322 1 8 . 1 1 10 10 ARG C C 10 176.008 176.008 176.089 -0.081 25849 2323 1 8 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.898 -1.032 25849 2324 1 8 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.871 -0.155 25849 2325 1 8 . 1 1 11 11 ARG N N 11 123.308 123.308 121.774 1.534 25849 2326 1 8 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.847 -0.535 25849 2327 1 8 . 1 1 11 11 ARG C C 11 176.115 176.115 175.189 0.926 25849 2328 1 8 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.014 1.065 25849 2329 1 8 . 1 1 11 11 ARG CB C 11 30.783 30.783 31.915 -1.132 25849 2330 1 8 . 1 1 12 12 THR N N 12 116.294 116.294 115.137 1.157 25849 2331 1 8 . 1 1 12 12 THR HA H 12 4.193 4.193 4.566 -0.373 25849 2332 1 8 . 1 1 12 12 THR C C 12 173.498 173.498 173.872 -0.374 25849 2333 1 8 . 1 1 12 12 THR CA C 12 61.491 61.491 61.589 -0.098 25849 2334 1 8 . 1 1 12 12 THR CB C 12 69.706 69.706 70.818 -1.112 25849 2335 1 8 . 1 1 13 13 ALA N N 13 127.117 127.117 126.347 0.770 25849 2336 1 8 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.499 -0.278 25849 2337 1 8 . 1 1 13 13 ALA C C 13 176.874 176.874 176.293 0.581 25849 2338 1 8 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.814 -0.791 25849 2339 1 8 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.553 1.079 25849 2340 1 8 . 1 1 14 14 PHE N N 14 118.798 118.798 125.437 -6.639 25849 2341 1 8 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.122 -0.230 25849 2342 1 8 . 1 1 14 14 PHE C C 14 176.653 176.653 175.981 0.672 25849 2343 1 8 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.306 -0.172 25849 2344 1 8 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.944 -2.433 25849 2345 1 8 . 1 1 15 15 THR N N 15 113.522 113.522 114.711 -1.189 25849 2346 1 8 . 1 1 15 15 THR HA H 15 4.426 4.426 4.631 -0.205 25849 2347 1 8 . 1 1 15 15 THR C C 15 175.371 175.371 175.950 -0.579 25849 2348 1 8 . 1 1 15 15 THR CA C 15 60.434 60.434 60.860 -0.426 25849 2349 1 8 . 1 1 15 15 THR CB C 15 70.826 70.826 70.396 0.430 25849 2350 1 8 . 1 1 16 16 SER N N 16 116.611 116.611 115.707 0.904 25849 2351 1 8 . 1 1 16 16 SER HA H 16 3.862 3.862 4.265 -0.403 25849 2352 1 8 . 1 1 16 16 SER C C 16 176.742 176.742 175.751 0.991 25849 2353 1 8 . 1 1 16 16 SER CA C 16 62.165 62.165 61.048 1.117 25849 2354 1 8 . 1 1 16 16 SER CB C 16 61.908 61.908 62.690 -0.782 25849 2355 1 8 . 1 1 17 17 GLU N N 17 120.901 120.901 120.957 -0.056 25849 2356 1 8 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.082 -0.139 25849 2357 1 8 . 1 1 17 17 GLU C C 17 178.802 178.802 178.221 0.581 25849 2358 1 8 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.125 0.956 25849 2359 1 8 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.541 -0.435 25849 2360 1 8 . 1 1 18 18 GLN N N 18 118.523 118.523 117.925 0.598 25849 2361 1 8 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.013 -0.267 25849 2362 1 8 . 1 1 18 18 GLN C C 18 177.493 177.493 178.565 -1.072 25849 2363 1 8 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.380 0.504 25849 2364 1 8 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.930 -0.872 25849 2365 1 8 . 1 1 19 19 LEU N N 19 117.349 117.349 118.157 -0.808 25849 2366 1 8 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.891 -0.359 25849 2367 1 8 . 1 1 19 19 LEU C C 19 178.289 178.289 177.962 0.327 25849 2368 1 8 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.225 1.494 25849 2369 1 8 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.694 0.296 25849 2370 1 8 . 1 1 20 20 LEU N N 20 118.800 118.800 120.107 -1.307 25849 2371 1 8 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.111 -0.239 25849 2372 1 8 . 1 1 20 20 LEU C C 20 179.808 179.808 178.766 1.042 25849 2373 1 8 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.199 1.133 25849 2374 1 8 . 1 1 20 20 LEU CB C 20 42.004 42.004 42.309 -0.305 25849 2375 1 8 . 1 1 21 21 GLU N N 21 118.036 118.036 119.806 -1.770 25849 2376 1 8 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.899 0.138 25849 2377 1 8 . 1 1 21 21 GLU C C 21 175.996 175.996 178.815 -2.819 25849 2378 1 8 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.636 -1.226 25849 2379 1 8 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.300 0.513 25849 2380 1 8 . 1 1 22 22 LEU N N 22 121.854 121.854 118.280 3.574 25849 2381 1 8 . 1 1 22 22 LEU HA H 22 3.486 3.486 4.015 -0.529 25849 2382 1 8 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.552 0.703 25849 2383 1 8 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.913 -2.478 25849 2384 1 8 . 1 1 23 23 ARG N N 23 116.956 116.956 117.182 -0.226 25849 2385 1 8 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.207 -0.282 25849 2386 1 8 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.768 1.380 25849 2387 1 8 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.117 -0.106 25849 2388 1 8 . 1 1 24 24 LYS N N 24 121.392 121.392 119.250 2.142 25849 2389 1 8 . 1 1 24 24 LYS HA H 24 3.981 3.981 3.955 0.026 25849 2390 1 8 . 1 1 24 24 LYS CA C 24 59.709 59.709 57.908 1.801 25849 2391 1 8 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.556 -0.114 25849 2392 1 8 . 1 1 25 25 GLU N N 25 119.698 119.698 120.047 -0.349 25849 2393 1 8 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.071 0.169 25849 2394 1 8 . 1 1 25 25 GLU C C 25 178.495 178.495 179.365 -0.870 25849 2395 1 8 . 1 1 25 25 GLU CA C 25 58.763 58.763 59.170 -0.407 25849 2396 1 8 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.301 -0.586 25849 2397 1 8 . 1 1 26 26 PHE N N 26 121.062 121.062 119.469 1.593 25849 2398 1 8 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.097 0.534 25849 2399 1 8 . 1 1 26 26 PHE C C 26 176.071 176.071 175.643 0.428 25849 2400 1 8 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.159 -0.329 25849 2401 1 8 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.242 0.339 25849 2402 1 8 . 1 1 27 27 HIS N N 27 115.944 115.944 112.585 3.359 25849 2403 1 8 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.533 -0.499 25849 2404 1 8 . 1 1 27 27 HIS CA C 27 58.231 58.231 54.309 3.922 25849 2405 1 8 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.438 -0.342 25849 2406 1 8 . 1 1 28 28 CYS N N 28 113.854 113.854 119.975 -6.121 25849 2407 1 8 . 1 1 28 28 CYS C C 28 175.913 175.913 175.049 0.864 25849 2408 1 8 . 1 1 28 28 CYS CA C 28 51.047 51.047 61.948 -10.901 25849 2409 1 8 . 1 1 28 28 CYS CB C 28 49.898 49.898 29.227 20.671 25849 2410 1 8 . 1 1 29 29 LYS N N 29 121.350 121.350 119.671 1.679 25849 2411 1 8 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.358 -0.094 25849 2412 1 8 . 1 1 29 29 LYS C C 29 172.365 172.365 175.972 -3.607 25849 2413 1 8 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.381 0.691 25849 2414 1 8 . 1 1 29 29 LYS CB C 29 35.073 35.073 34.241 0.832 25849 2415 1 8 . 1 1 30 30 LYS N N 30 117.744 117.744 122.669 -4.925 25849 2416 1 8 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.015 -0.299 25849 2417 1 8 . 1 1 30 30 LYS C C 30 174.932 174.932 176.390 -1.458 25849 2418 1 8 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.900 -1.972 25849 2419 1 8 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.129 0.419 25849 2420 1 8 . 1 1 31 31 TYR N N 31 113.437 113.437 114.562 -1.125 25849 2421 1 8 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.639 -0.139 25849 2422 1 8 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.009 0.385 25849 2423 1 8 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.742 1.419 25849 2424 1 8 . 1 1 32 32 LEU N N 32 122.416 122.416 123.739 -1.323 25849 2425 1 8 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.601 0.020 25849 2426 1 8 . 1 1 32 32 LEU C C 32 177.448 177.448 176.638 0.810 25849 2427 1 8 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.199 -1.414 25849 2428 1 8 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.492 1.207 25849 2429 1 8 . 1 1 33 33 SER N N 33 119.021 119.021 119.332 -0.311 25849 2430 1 8 . 1 1 33 33 SER HA H 33 4.495 4.495 4.466 0.029 25849 2431 1 8 . 1 1 33 33 SER C C 33 174.599 174.599 176.052 -1.453 25849 2432 1 8 . 1 1 33 33 SER CA C 33 56.591 56.591 58.632 -2.041 25849 2433 1 8 . 1 1 33 33 SER CB C 33 64.944 64.944 63.871 1.073 25849 2434 1 8 . 1 1 34 34 LEU N N 34 121.555 121.555 123.556 -2.001 25849 2435 1 8 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.179 -0.273 25849 2436 1 8 . 1 1 34 34 LEU C C 34 179.869 179.869 179.241 0.628 25849 2437 1 8 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.707 0.211 25849 2438 1 8 . 1 1 34 34 LEU CB C 34 41.385 41.385 41.700 -0.315 25849 2439 1 8 . 1 1 35 35 THR N N 35 113.629 113.629 114.625 -0.996 25849 2440 1 8 . 1 1 35 35 THR HA H 35 3.861 3.861 3.969 -0.108 25849 2441 1 8 . 1 1 35 35 THR C C 35 176.846 176.846 176.426 0.420 25849 2442 1 8 . 1 1 35 35 THR CA C 35 65.790 65.790 66.853 -1.063 25849 2443 1 8 . 1 1 35 35 THR CB C 35 68.421 68.421 68.419 0.002 25849 2444 1 8 . 1 1 36 36 GLU N N 36 122.918 122.918 120.315 2.603 25849 2445 1 8 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.050 -0.139 25849 2446 1 8 . 1 1 36 36 GLU C C 36 178.858 178.858 178.914 -0.056 25849 2447 1 8 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.226 -0.379 25849 2448 1 8 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.544 1.994 25849 2449 1 8 . 1 1 37 37 ARG N N 37 119.042 119.042 118.754 0.288 25849 2450 1 8 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.908 -0.224 25849 2451 1 8 . 1 1 37 37 ARG C C 37 177.748 177.748 178.584 -0.836 25849 2452 1 8 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.902 1.134 25849 2453 1 8 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.189 0.624 25849 2454 1 8 . 1 1 38 38 SER N N 38 113.447 113.447 115.441 -1.994 25849 2455 1 8 . 1 1 38 38 SER HA H 38 4.004 4.004 4.094 -0.090 25849 2456 1 8 . 1 1 38 38 SER C C 38 176.517 176.517 176.426 0.091 25849 2457 1 8 . 1 1 38 38 SER CA C 38 61.804 61.804 61.842 -0.038 25849 2458 1 8 . 1 1 38 38 SER CB C 38 62.810 62.810 62.938 -0.128 25849 2459 1 8 . 1 1 39 39 GLN N N 39 121.739 121.739 120.766 0.973 25849 2460 1 8 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.037 0.010 25849 2461 1 8 . 1 1 39 39 GLN C C 39 178.889 178.889 178.738 0.151 25849 2462 1 8 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.042 0.048 25849 2463 1 8 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.807 -0.492 25849 2464 1 8 . 1 1 40 40 ILE N N 40 121.471 121.471 118.208 3.263 25849 2465 1 8 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.823 0.014 25849 2466 1 8 . 1 1 40 40 ILE C C 40 176.844 176.844 178.212 -1.368 25849 2467 1 8 . 1 1 40 40 ILE CA C 40 64.398 64.398 62.226 2.172 25849 2468 1 8 . 1 1 40 40 ILE CB C 40 38.175 38.175 35.971 2.204 25849 2469 1 8 . 1 1 41 41 ALA N N 41 121.897 121.897 123.763 -1.866 25849 2470 1 8 . 1 1 41 41 ALA HA H 41 3.594 3.594 3.989 -0.395 25849 2471 1 8 . 1 1 41 41 ALA C C 41 179.238 179.238 179.269 -0.031 25849 2472 1 8 . 1 1 41 41 ALA CA C 41 55.926 55.926 55.148 0.778 25849 2473 1 8 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.116 -0.532 25849 2474 1 8 . 1 1 42 42 HIS N N 42 114.139 114.139 119.672 -5.533 25849 2475 1 8 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.372 -0.049 25849 2476 1 8 . 1 1 42 42 HIS C C 42 178.003 178.003 178.239 -0.236 25849 2477 1 8 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.405 -0.660 25849 2478 1 8 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.927 -1.165 25849 2479 1 8 . 1 1 43 43 ALA N N 43 121.931 121.931 122.785 -0.854 25849 2480 1 8 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.171 -0.179 25849 2481 1 8 . 1 1 43 43 ALA C C 43 179.235 179.235 177.805 1.430 25849 2482 1 8 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.688 0.223 25849 2483 1 8 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.587 -0.184 25849 2484 1 8 . 1 1 44 44 LEU N N 44 114.067 114.067 115.368 -1.301 25849 2485 1 8 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.455 -0.216 25849 2486 1 8 . 1 1 44 44 LEU C C 44 175.891 175.891 176.325 -0.434 25849 2487 1 8 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.378 0.858 25849 2488 1 8 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.562 0.018 25849 2489 1 8 . 1 1 45 45 LYS N N 45 116.940 116.940 117.977 -1.037 25849 2490 1 8 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.739 0.138 25849 2491 1 8 . 1 1 45 45 LYS C C 45 175.207 175.207 175.839 -0.632 25849 2492 1 8 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.156 0.098 25849 2493 1 8 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.241 -2.844 25849 2494 1 8 . 1 1 46 46 LEU N N 46 119.505 119.505 118.957 0.548 25849 2495 1 8 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.411 0.296 25849 2496 1 8 . 1 1 46 46 LEU C C 46 175.958 175.958 176.443 -0.485 25849 2497 1 8 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.998 -1.659 25849 2498 1 8 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.477 3.835 25849 2499 1 8 . 1 1 47 47 SER N N 47 114.844 114.844 114.387 0.457 25849 2500 1 8 . 1 1 47 47 SER HA H 47 4.641 4.641 4.552 0.089 25849 2501 1 8 . 1 1 47 47 SER C C 47 175.899 175.899 176.134 -0.235 25849 2502 1 8 . 1 1 47 47 SER CA C 47 56.675 56.675 57.882 -1.206 25849 2503 1 8 . 1 1 47 47 SER CB C 47 64.911 64.911 64.570 0.341 25849 2504 1 8 . 1 1 48 48 GLU N N 48 122.920 122.920 123.422 -0.502 25849 2505 1 8 . 1 1 48 48 GLU HA H 48 3.595 3.595 3.996 -0.401 25849 2506 1 8 . 1 1 48 48 GLU C C 48 178.430 178.430 178.647 -0.217 25849 2507 1 8 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.199 0.916 25849 2508 1 8 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.395 -0.385 25849 2509 1 8 . 1 1 49 49 VAL N N 49 118.053 118.053 119.185 -1.132 25849 2510 1 8 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.805 -0.115 25849 2511 1 8 . 1 1 49 49 VAL C C 49 177.001 177.001 178.073 -1.072 25849 2512 1 8 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.129 -0.377 25849 2513 1 8 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.095 0.714 25849 2514 1 8 . 1 1 50 50 GLN N N 50 119.121 119.121 118.902 0.219 25849 2515 1 8 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.162 -0.088 25849 2516 1 8 . 1 1 50 50 GLN C C 50 179.480 179.480 178.964 0.516 25849 2517 1 8 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.227 0.028 25849 2518 1 8 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.366 1.291 25849 2519 1 8 . 1 1 51 51 VAL N N 51 118.983 118.983 119.580 -0.597 25849 2520 1 8 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.070 -0.426 25849 2521 1 8 . 1 1 51 51 VAL C C 51 176.652 176.652 178.109 -1.457 25849 2522 1 8 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.258 1.163 25849 2523 1 8 . 1 1 51 51 VAL CB C 51 32.160 32.160 30.693 1.467 25849 2524 1 8 . 1 1 52 52 LYS N N 52 120.962 120.962 121.237 -0.275 25849 2525 1 8 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.073 0.094 25849 2526 1 8 . 1 1 52 52 LYS C C 52 179.592 179.592 179.299 0.293 25849 2527 1 8 . 1 1 52 52 LYS CA C 52 59.948 59.948 60.164 -0.216 25849 2528 1 8 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.371 0.920 25849 2529 1 8 . 1 1 53 53 ILE N N 53 120.085 120.085 118.746 1.339 25849 2530 1 8 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.808 -0.073 25849 2531 1 8 . 1 1 53 53 ILE C C 53 177.452 177.452 178.032 -0.580 25849 2532 1 8 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.884 -0.658 25849 2533 1 8 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.829 0.197 25849 2534 1 8 . 1 1 54 54 TRP N N 54 122.169 122.169 122.717 -0.548 25849 2535 1 8 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.138 -0.151 25849 2536 1 8 . 1 1 54 54 TRP C C 54 179.143 179.143 177.879 1.264 25849 2537 1 8 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.130 1.462 25849 2538 1 8 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.768 -0.828 25849 2539 1 8 . 1 1 55 55 PHE N N 55 118.530 118.530 117.812 0.718 25849 2540 1 8 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.341 -0.687 25849 2541 1 8 . 1 1 55 55 PHE C C 55 177.833 177.833 178.450 -0.617 25849 2542 1 8 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.690 0.513 25849 2543 1 8 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.896 0.643 25849 2544 1 8 . 1 1 56 56 GLN N N 56 118.313 118.313 119.280 -0.967 25849 2545 1 8 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.045 -0.156 25849 2546 1 8 . 1 1 56 56 GLN C C 56 179.052 179.052 178.236 0.816 25849 2547 1 8 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.105 0.381 25849 2548 1 8 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.137 0.432 25849 2549 1 8 . 1 1 57 57 ASN N N 57 119.607 119.607 118.946 0.661 25849 2550 1 8 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.396 -0.115 25849 2551 1 8 . 1 1 57 57 ASN C C 57 177.385 177.385 177.736 -0.351 25849 2552 1 8 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.332 -0.940 25849 2553 1 8 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.346 -0.513 25849 2554 1 8 . 1 1 58 58 GLU N N 58 124.516 124.516 120.744 3.772 25849 2555 1 8 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.760 -0.399 25849 2556 1 8 . 1 1 58 58 GLU C C 58 179.522 179.522 178.212 1.310 25849 2557 1 8 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.921 -0.634 25849 2558 1 8 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.976 -1.444 25849 2559 1 8 . 1 1 59 59 ARG N N 59 118.692 118.692 120.336 -1.644 25849 2560 1 8 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.415 -0.275 25849 2561 1 8 . 1 1 59 59 ARG C C 59 178.813 178.813 178.748 0.065 25849 2562 1 8 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.517 1.396 25849 2563 1 8 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.429 1.262 25849 2564 1 8 . 1 1 60 60 ALA N N 60 120.662 120.662 120.765 -0.103 25849 2565 1 8 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.150 -0.067 25849 2566 1 8 . 1 1 60 60 ALA C C 60 179.753 179.753 179.136 0.617 25849 2567 1 8 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.177 -0.377 25849 2568 1 8 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.270 -0.371 25849 2569 1 8 . 1 1 61 61 LYS N N 61 118.620 118.620 118.756 -0.136 25849 2570 1 8 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.001 -0.160 25849 2571 1 8 . 1 1 61 61 LYS C C 61 177.994 177.994 179.046 -1.052 25849 2572 1 8 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.811 -0.039 25849 2573 1 8 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.062 0.433 25849 2574 1 8 . 1 1 62 62 TRP N N 62 120.517 120.517 122.066 -1.549 25849 2575 1 8 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.342 -0.015 25849 2576 1 8 . 1 1 62 62 TRP C C 62 177.118 177.118 178.525 -1.407 25849 2577 1 8 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.301 -1.965 25849 2578 1 8 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.873 -0.754 25849 2579 1 8 . 1 1 63 63 LYS N N 63 119.074 119.074 118.322 0.752 25849 2580 1 8 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.196 -0.401 25849 2581 1 8 . 1 1 63 63 LYS C C 63 177.429 177.429 178.970 -1.541 25849 2582 1 8 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.365 -1.276 25849 2583 1 8 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.108 0.637 25849 2584 1 8 . 1 1 64 64 ARG N N 64 118.825 118.825 118.565 0.260 25849 2585 1 8 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.186 -0.102 25849 2586 1 8 . 1 1 64 64 ARG C C 64 177.231 177.231 178.497 -1.266 25849 2587 1 8 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.346 -0.876 25849 2588 1 8 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.472 -0.194 25849 2589 1 8 . 1 1 65 65 ILE N N 65 120.523 120.523 119.939 0.584 25849 2590 1 8 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.712 0.161 25849 2591 1 8 . 1 1 65 65 ILE C C 65 177.198 177.198 176.831 0.367 25849 2592 1 8 . 1 1 65 65 ILE CA C 65 62.392 62.392 63.287 -0.895 25849 2593 1 8 . 1 1 65 65 ILE CB C 65 38.398 38.398 36.962 1.436 25849 2594 1 8 . 1 1 66 66 LYS N N 66 123.201 123.201 119.054 4.147 25849 2595 1 8 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.104 -0.031 25849 2596 1 8 . 1 1 66 66 LYS C C 66 176.387 176.387 176.217 0.170 25849 2597 1 8 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.664 -0.039 25849 2598 1 8 . 1 1 66 66 LYS CB C 66 32.364 32.364 31.988 0.376 25849 2599 1 8 . 1 1 67 67 ALA N N 67 123.500 123.500 121.719 1.781 25849 2600 1 8 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.019 0.183 25849 2601 1 8 . 1 1 67 67 ALA C C 67 177.870 177.870 177.406 0.464 25849 2602 1 8 . 1 1 67 67 ALA CA C 67 52.583 52.583 52.503 0.080 25849 2603 1 8 . 1 1 67 67 ALA CB C 67 19.086 19.086 17.784 1.302 25849 2604 1 8 . 1 1 68 68 GLY N N 68 107.120 107.120 108.375 -1.255 25849 2605 1 8 . 1 1 68 68 GLY C C 68 173.688 173.688 173.503 0.185 25849 2606 1 8 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.136 0.212 25849 2607 1 8 . 1 1 69 69 ASN N N 69 118.671 118.671 122.232 -3.561 25849 2608 1 8 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.790 -0.107 25849 2609 1 8 . 1 1 69 69 ASN C C 69 174.792 174.792 175.212 -0.420 25849 2610 1 8 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.842 -0.833 25849 2611 1 8 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.143 -0.079 25849 2612 1 8 . 1 1 70 70 VAL N N 70 119.480 119.480 114.744 4.736 25849 2613 1 8 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.777 0.353 25849 2614 1 8 . 1 1 70 70 VAL C C 70 175.126 175.126 174.615 0.511 25849 2615 1 8 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.789 -1.698 25849 2616 1 8 . 1 1 70 70 VAL CB C 70 32.863 32.863 30.052 2.811 25849 2617 1 9 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.557 -0.192 25849 2618 1 9 . 1 1 3 3 PRO C C 3 177.410 177.410 176.293 1.117 25849 2619 1 9 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.789 0.471 25849 2620 1 9 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.898 -1.116 25849 2621 1 9 . 1 1 4 4 GLY N N 4 109.481 109.481 106.512 2.969 25849 2622 1 9 . 1 1 4 4 GLY C C 4 173.688 173.688 174.557 -0.869 25849 2623 1 9 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.220 -0.145 25849 2624 1 9 . 1 1 5 5 GLY N N 5 108.665 108.665 109.826 -1.161 25849 2625 1 9 . 1 1 5 5 GLY C C 5 174.231 174.231 173.514 0.717 25849 2626 1 9 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.949 0.433 25849 2627 1 9 . 1 1 6 6 LYS N N 6 120.860 120.860 121.711 -0.851 25849 2628 1 9 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.486 -0.230 25849 2629 1 9 . 1 1 6 6 LYS C C 6 176.715 176.715 175.546 1.169 25849 2630 1 9 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.173 0.119 25849 2631 1 9 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.757 0.049 25849 2632 1 9 . 1 1 7 7 SER N N 7 116.762 116.762 116.540 0.222 25849 2633 1 9 . 1 1 7 7 SER HA H 7 4.344 4.344 4.821 -0.477 25849 2634 1 9 . 1 1 7 7 SER C C 7 174.437 174.437 173.175 1.262 25849 2635 1 9 . 1 1 7 7 SER CA C 7 58.373 58.373 57.590 0.783 25849 2636 1 9 . 1 1 7 7 SER CB C 7 63.557 63.557 64.912 -1.355 25849 2637 1 9 . 1 1 8 8 ARG N N 8 123.315 123.315 121.739 1.576 25849 2638 1 9 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.746 -0.483 25849 2639 1 9 . 1 1 8 8 ARG C C 8 176.017 176.017 175.440 0.577 25849 2640 1 9 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.630 0.321 25849 2641 1 9 . 1 1 8 8 ARG CB C 8 30.533 30.533 31.463 -0.930 25849 2642 1 9 . 1 1 9 9 ARG N N 9 122.423 122.423 123.021 -0.598 25849 2643 1 9 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.613 -0.385 25849 2644 1 9 . 1 1 9 9 ARG C C 9 176.001 176.001 175.538 0.463 25849 2645 1 9 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.848 0.088 25849 2646 1 9 . 1 1 9 9 ARG CB C 9 30.625 30.625 32.123 -1.498 25849 2647 1 9 . 1 1 10 10 ARG N N 10 123.297 123.297 120.161 3.136 25849 2648 1 9 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.618 -0.369 25849 2649 1 9 . 1 1 10 10 ARG C C 10 176.008 176.008 175.035 0.973 25849 2650 1 9 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.394 0.472 25849 2651 1 9 . 1 1 10 10 ARG CB C 10 30.716 30.716 31.750 -1.034 25849 2652 1 9 . 1 1 11 11 ARG N N 11 123.308 123.308 118.090 5.218 25849 2653 1 9 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.255 0.057 25849 2654 1 9 . 1 1 11 11 ARG C C 11 176.115 176.115 174.281 1.834 25849 2655 1 9 . 1 1 11 11 ARG CA C 11 56.079 56.079 54.835 1.244 25849 2656 1 9 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.758 -1.974 25849 2657 1 9 . 1 1 12 12 THR N N 12 116.294 116.294 115.776 0.518 25849 2658 1 9 . 1 1 12 12 THR HA H 12 4.193 4.193 4.648 -0.455 25849 2659 1 9 . 1 1 12 12 THR C C 12 173.498 173.498 173.268 0.230 25849 2660 1 9 . 1 1 12 12 THR CA C 12 61.491 61.491 61.738 -0.247 25849 2661 1 9 . 1 1 12 12 THR CB C 12 69.706 69.706 71.720 -2.014 25849 2662 1 9 . 1 1 13 13 ALA N N 13 127.117 127.117 125.964 1.153 25849 2663 1 9 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.541 -0.320 25849 2664 1 9 . 1 1 13 13 ALA C C 13 176.874 176.874 176.349 0.525 25849 2665 1 9 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.816 -0.794 25849 2666 1 9 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.017 1.615 25849 2667 1 9 . 1 1 14 14 PHE N N 14 118.798 118.798 124.529 -5.731 25849 2668 1 9 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.256 -0.364 25849 2669 1 9 . 1 1 14 14 PHE C C 14 176.653 176.653 176.156 0.497 25849 2670 1 9 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.684 -0.549 25849 2671 1 9 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.722 -2.210 25849 2672 1 9 . 1 1 15 15 THR N N 15 113.522 113.522 115.791 -2.269 25849 2673 1 9 . 1 1 15 15 THR HA H 15 4.426 4.426 4.675 -0.249 25849 2674 1 9 . 1 1 15 15 THR C C 15 175.371 175.371 175.506 -0.135 25849 2675 1 9 . 1 1 15 15 THR CA C 15 60.434 60.434 60.610 -0.176 25849 2676 1 9 . 1 1 15 15 THR CB C 15 70.826 70.826 70.430 0.396 25849 2677 1 9 . 1 1 16 16 SER N N 16 116.611 116.611 117.604 -0.993 25849 2678 1 9 . 1 1 16 16 SER HA H 16 3.862 3.862 4.074 -0.212 25849 2679 1 9 . 1 1 16 16 SER C C 16 176.742 176.742 176.559 0.183 25849 2680 1 9 . 1 1 16 16 SER CA C 16 62.165 62.165 62.211 -0.046 25849 2681 1 9 . 1 1 16 16 SER CB C 16 61.908 61.908 62.662 -0.754 25849 2682 1 9 . 1 1 17 17 GLU N N 17 120.901 120.901 120.474 0.427 25849 2683 1 9 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.896 0.047 25849 2684 1 9 . 1 1 17 17 GLU C C 17 178.802 178.802 178.733 0.069 25849 2685 1 9 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.520 0.561 25849 2686 1 9 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.177 -0.071 25849 2687 1 9 . 1 1 18 18 GLN N N 18 118.523 118.523 118.145 0.378 25849 2688 1 9 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.069 -0.323 25849 2689 1 9 . 1 1 18 18 GLN C C 18 177.493 177.493 178.672 -1.179 25849 2690 1 9 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.320 0.564 25849 2691 1 9 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.827 -0.769 25849 2692 1 9 . 1 1 19 19 LEU N N 19 117.349 117.349 119.640 -2.291 25849 2693 1 9 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.586 -0.054 25849 2694 1 9 . 1 1 19 19 LEU C C 19 178.289 178.289 178.556 -0.267 25849 2695 1 9 . 1 1 19 19 LEU CA C 19 57.719 57.719 57.649 0.070 25849 2696 1 9 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.189 0.801 25849 2697 1 9 . 1 1 20 20 LEU N N 20 118.800 118.800 120.133 -1.333 25849 2698 1 9 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.984 -0.112 25849 2699 1 9 . 1 1 20 20 LEU C C 20 179.808 179.808 178.786 1.022 25849 2700 1 9 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.120 0.212 25849 2701 1 9 . 1 1 20 20 LEU CB C 20 42.004 42.004 40.848 1.156 25849 2702 1 9 . 1 1 21 21 GLU N N 21 118.036 118.036 118.497 -0.461 25849 2703 1 9 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.007 0.030 25849 2704 1 9 . 1 1 21 21 GLU C C 21 175.996 175.996 179.544 -3.548 25849 2705 1 9 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.170 -0.760 25849 2706 1 9 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.010 0.803 25849 2707 1 9 . 1 1 22 22 LEU N N 22 121.854 121.854 119.427 2.427 25849 2708 1 9 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.993 -0.507 25849 2709 1 9 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.975 0.280 25849 2710 1 9 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.888 -2.453 25849 2711 1 9 . 1 1 23 23 ARG N N 23 116.956 116.956 118.051 -1.095 25849 2712 1 9 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.005 -0.080 25849 2713 1 9 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.221 0.927 25849 2714 1 9 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.030 -0.019 25849 2715 1 9 . 1 1 24 24 LYS N N 24 121.392 121.392 120.002 1.390 25849 2716 1 9 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.139 -0.158 25849 2717 1 9 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.295 0.414 25849 2718 1 9 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.054 0.388 25849 2719 1 9 . 1 1 25 25 GLU N N 25 119.698 119.698 118.016 1.682 25849 2720 1 9 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.291 -0.051 25849 2721 1 9 . 1 1 25 25 GLU C C 25 178.495 178.495 178.477 0.018 25849 2722 1 9 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.352 0.411 25849 2723 1 9 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.869 -1.154 25849 2724 1 9 . 1 1 26 26 PHE N N 26 121.062 121.062 121.354 -0.292 25849 2725 1 9 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.277 0.353 25849 2726 1 9 . 1 1 26 26 PHE C C 26 176.071 176.071 176.017 0.054 25849 2727 1 9 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.009 -1.179 25849 2728 1 9 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.120 0.461 25849 2729 1 9 . 1 1 27 27 HIS N N 27 115.944 115.944 115.087 0.857 25849 2730 1 9 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.302 -0.268 25849 2731 1 9 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.487 0.744 25849 2732 1 9 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.586 -0.490 25849 2733 1 9 . 1 1 28 28 CYS N N 28 113.854 113.854 117.659 -3.805 25849 2734 1 9 . 1 1 28 28 CYS C C 28 175.913 175.913 174.289 1.624 25849 2735 1 9 . 1 1 28 28 CYS CA C 28 51.047 51.047 60.209 -9.162 25849 2736 1 9 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.785 19.113 25849 2737 1 9 . 1 1 29 29 LYS N N 29 121.350 121.350 121.108 0.242 25849 2738 1 9 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.394 -0.130 25849 2739 1 9 . 1 1 29 29 LYS C C 29 172.365 172.365 176.574 -4.209 25849 2740 1 9 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.256 0.816 25849 2741 1 9 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.200 1.873 25849 2742 1 9 . 1 1 30 30 LYS N N 30 117.744 117.744 122.094 -4.350 25849 2743 1 9 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.875 -0.159 25849 2744 1 9 . 1 1 30 30 LYS C C 30 174.932 174.932 175.638 -0.706 25849 2745 1 9 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.748 -1.820 25849 2746 1 9 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.198 0.350 25849 2747 1 9 . 1 1 31 31 TYR N N 31 113.437 113.437 114.738 -1.301 25849 2748 1 9 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.654 -0.154 25849 2749 1 9 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.512 -0.118 25849 2750 1 9 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.024 2.137 25849 2751 1 9 . 1 1 32 32 LEU N N 32 122.416 122.416 123.185 -0.769 25849 2752 1 9 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.623 -0.002 25849 2753 1 9 . 1 1 32 32 LEU C C 32 177.448 177.448 176.314 1.134 25849 2754 1 9 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.093 -1.308 25849 2755 1 9 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.487 1.212 25849 2756 1 9 . 1 1 33 33 SER N N 33 119.021 119.021 117.496 1.525 25849 2757 1 9 . 1 1 33 33 SER HA H 33 4.495 4.495 4.623 -0.128 25849 2758 1 9 . 1 1 33 33 SER C C 33 174.599 174.599 175.651 -1.052 25849 2759 1 9 . 1 1 33 33 SER CA C 33 56.591 56.591 57.165 -0.574 25849 2760 1 9 . 1 1 33 33 SER CB C 33 64.944 64.944 64.402 0.542 25849 2761 1 9 . 1 1 34 34 LEU N N 34 121.555 121.555 121.148 0.407 25849 2762 1 9 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.272 -0.366 25849 2763 1 9 . 1 1 34 34 LEU C C 34 179.869 179.869 177.759 2.110 25849 2764 1 9 . 1 1 34 34 LEU CA C 34 58.918 58.918 57.224 1.694 25849 2765 1 9 . 1 1 34 34 LEU CB C 34 41.385 41.385 41.325 0.060 25849 2766 1 9 . 1 1 35 35 THR N N 35 113.629 113.629 112.599 1.030 25849 2767 1 9 . 1 1 35 35 THR HA H 35 3.861 3.861 4.387 -0.526 25849 2768 1 9 . 1 1 35 35 THR C C 35 176.846 176.846 175.944 0.902 25849 2769 1 9 . 1 1 35 35 THR CA C 35 65.790 65.790 64.161 1.629 25849 2770 1 9 . 1 1 35 35 THR CB C 35 68.421 68.421 68.989 -0.568 25849 2771 1 9 . 1 1 36 36 GLU N N 36 122.918 122.918 122.877 0.041 25849 2772 1 9 . 1 1 36 36 GLU HA H 36 3.911 3.911 3.901 0.010 25849 2773 1 9 . 1 1 36 36 GLU C C 36 178.858 178.858 179.054 -0.196 25849 2774 1 9 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.784 -0.937 25849 2775 1 9 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.633 1.905 25849 2776 1 9 . 1 1 37 37 ARG N N 37 119.042 119.042 118.228 0.814 25849 2777 1 9 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.996 -0.312 25849 2778 1 9 . 1 1 37 37 ARG C C 37 177.748 177.748 178.754 -1.006 25849 2779 1 9 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.783 1.253 25849 2780 1 9 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.303 0.509 25849 2781 1 9 . 1 1 38 38 SER N N 38 113.447 113.447 114.447 -1.000 25849 2782 1 9 . 1 1 38 38 SER HA H 38 4.004 4.004 4.236 -0.232 25849 2783 1 9 . 1 1 38 38 SER C C 38 176.517 176.517 176.590 -0.073 25849 2784 1 9 . 1 1 38 38 SER CA C 38 61.804 61.804 61.237 0.567 25849 2785 1 9 . 1 1 38 38 SER CB C 38 62.810 62.810 62.989 -0.178 25849 2786 1 9 . 1 1 39 39 GLN N N 39 121.739 121.739 121.479 0.260 25849 2787 1 9 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.055 -0.008 25849 2788 1 9 . 1 1 39 39 GLN C C 39 178.889 178.889 178.654 0.235 25849 2789 1 9 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.200 -0.110 25849 2790 1 9 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.900 -0.585 25849 2791 1 9 . 1 1 40 40 ILE N N 40 121.471 121.471 116.565 4.906 25849 2792 1 9 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.942 -0.105 25849 2793 1 9 . 1 1 40 40 ILE C C 40 176.844 176.844 176.801 0.043 25849 2794 1 9 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.678 2.720 25849 2795 1 9 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.425 1.750 25849 2796 1 9 . 1 1 41 41 ALA N N 41 121.897 121.897 121.976 -0.079 25849 2797 1 9 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.167 -0.573 25849 2798 1 9 . 1 1 41 41 ALA C C 41 179.238 179.238 178.597 0.641 25849 2799 1 9 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.585 1.341 25849 2800 1 9 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.305 -1.721 25849 2801 1 9 . 1 1 42 42 HIS N N 42 114.139 114.139 120.272 -6.133 25849 2802 1 9 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.304 0.019 25849 2803 1 9 . 1 1 42 42 HIS C C 42 178.003 178.003 178.046 -0.043 25849 2804 1 9 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.382 -0.637 25849 2805 1 9 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.003 -1.242 25849 2806 1 9 . 1 1 43 43 ALA N N 43 121.931 121.931 122.424 -0.493 25849 2807 1 9 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.133 -0.141 25849 2808 1 9 . 1 1 43 43 ALA C C 43 179.235 179.235 177.862 1.373 25849 2809 1 9 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.609 0.302 25849 2810 1 9 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.622 -0.219 25849 2811 1 9 . 1 1 44 44 LEU N N 44 114.067 114.067 114.501 -0.434 25849 2812 1 9 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.446 -0.207 25849 2813 1 9 . 1 1 44 44 LEU C C 44 175.891 175.891 176.070 -0.179 25849 2814 1 9 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.857 0.379 25849 2815 1 9 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.566 0.014 25849 2816 1 9 . 1 1 45 45 LYS N N 45 116.940 116.940 116.605 0.335 25849 2817 1 9 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.789 0.088 25849 2818 1 9 . 1 1 45 45 LYS C C 45 175.207 175.207 176.351 -1.144 25849 2819 1 9 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.749 -0.495 25849 2820 1 9 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.264 -2.867 25849 2821 1 9 . 1 1 46 46 LEU N N 46 119.505 119.505 119.132 0.373 25849 2822 1 9 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.217 0.490 25849 2823 1 9 . 1 1 46 46 LEU C C 46 175.958 175.958 176.870 -0.912 25849 2824 1 9 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.642 -2.303 25849 2825 1 9 . 1 1 46 46 LEU CB C 46 47.312 47.312 42.877 4.435 25849 2826 1 9 . 1 1 47 47 SER N N 47 114.844 114.844 114.146 0.698 25849 2827 1 9 . 1 1 47 47 SER HA H 47 4.641 4.641 4.358 0.283 25849 2828 1 9 . 1 1 47 47 SER C C 47 175.899 175.899 176.047 -0.148 25849 2829 1 9 . 1 1 47 47 SER CA C 47 56.675 56.675 58.384 -1.709 25849 2830 1 9 . 1 1 47 47 SER CB C 47 64.911 64.911 64.359 0.552 25849 2831 1 9 . 1 1 48 48 GLU N N 48 122.920 122.920 123.639 -0.719 25849 2832 1 9 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.090 -0.495 25849 2833 1 9 . 1 1 48 48 GLU C C 48 178.430 178.430 178.267 0.163 25849 2834 1 9 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.570 1.545 25849 2835 1 9 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.778 -0.768 25849 2836 1 9 . 1 1 49 49 VAL N N 49 118.053 118.053 119.474 -1.421 25849 2837 1 9 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.872 -0.182 25849 2838 1 9 . 1 1 49 49 VAL C C 49 177.001 177.001 178.060 -1.059 25849 2839 1 9 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.364 -0.611 25849 2840 1 9 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.262 0.547 25849 2841 1 9 . 1 1 50 50 GLN N N 50 119.121 119.121 118.603 0.518 25849 2842 1 9 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.226 -0.152 25849 2843 1 9 . 1 1 50 50 GLN C C 50 179.480 179.480 178.779 0.701 25849 2844 1 9 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.676 -0.422 25849 2845 1 9 . 1 1 50 50 GLN CB C 50 29.657 29.657 27.955 1.702 25849 2846 1 9 . 1 1 51 51 VAL N N 51 118.983 118.983 118.837 0.146 25849 2847 1 9 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.123 -0.479 25849 2848 1 9 . 1 1 51 51 VAL C C 51 176.652 176.652 178.036 -1.384 25849 2849 1 9 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.848 0.573 25849 2850 1 9 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.017 1.143 25849 2851 1 9 . 1 1 52 52 LYS N N 52 120.962 120.962 120.815 0.147 25849 2852 1 9 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.202 -0.035 25849 2853 1 9 . 1 1 52 52 LYS C C 52 179.592 179.592 179.420 0.172 25849 2854 1 9 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.784 0.164 25849 2855 1 9 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.102 1.189 25849 2856 1 9 . 1 1 53 53 ILE N N 53 120.085 120.085 120.419 -0.334 25849 2857 1 9 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.819 -0.084 25849 2858 1 9 . 1 1 53 53 ILE C C 53 177.452 177.452 177.790 -0.338 25849 2859 1 9 . 1 1 53 53 ILE CA C 53 64.226 64.226 65.173 -0.947 25849 2860 1 9 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.787 0.239 25849 2861 1 9 . 1 1 54 54 TRP N N 54 122.169 122.169 122.395 -0.226 25849 2862 1 9 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.024 -0.037 25849 2863 1 9 . 1 1 54 54 TRP C C 54 179.143 179.143 177.981 1.162 25849 2864 1 9 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.084 1.508 25849 2865 1 9 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.243 -0.303 25849 2866 1 9 . 1 1 55 55 PHE N N 55 118.530 118.530 117.858 0.672 25849 2867 1 9 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.185 -0.531 25849 2868 1 9 . 1 1 55 55 PHE C C 55 177.833 177.833 178.004 -0.171 25849 2869 1 9 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.995 0.207 25849 2870 1 9 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.158 0.381 25849 2871 1 9 . 1 1 56 56 GLN N N 56 118.313 118.313 118.597 -0.284 25849 2872 1 9 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.957 -0.068 25849 2873 1 9 . 1 1 56 56 GLN C C 56 179.052 179.052 178.015 1.037 25849 2874 1 9 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.250 0.235 25849 2875 1 9 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.367 0.202 25849 2876 1 9 . 1 1 57 57 ASN N N 57 119.607 119.607 118.874 0.733 25849 2877 1 9 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.356 -0.075 25849 2878 1 9 . 1 1 57 57 ASN C C 57 177.385 177.385 177.722 -0.337 25849 2879 1 9 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.417 -1.026 25849 2880 1 9 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.327 -0.494 25849 2881 1 9 . 1 1 58 58 GLU N N 58 124.516 124.516 120.910 3.606 25849 2882 1 9 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.771 -0.410 25849 2883 1 9 . 1 1 58 58 GLU C C 58 179.522 179.522 178.306 1.216 25849 2884 1 9 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.143 0.144 25849 2885 1 9 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.853 -1.321 25849 2886 1 9 . 1 1 59 59 ARG N N 59 118.692 118.692 120.210 -1.518 25849 2887 1 9 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.433 -0.293 25849 2888 1 9 . 1 1 59 59 ARG C C 59 178.813 178.813 178.793 0.020 25849 2889 1 9 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.587 1.326 25849 2890 1 9 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.346 1.345 25849 2891 1 9 . 1 1 60 60 ALA N N 60 120.662 120.662 120.958 -0.296 25849 2892 1 9 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.170 -0.087 25849 2893 1 9 . 1 1 60 60 ALA C C 60 179.753 179.753 178.991 0.762 25849 2894 1 9 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.346 -0.546 25849 2895 1 9 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.333 -0.435 25849 2896 1 9 . 1 1 61 61 LYS N N 61 118.620 118.620 118.713 -0.093 25849 2897 1 9 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.013 -0.172 25849 2898 1 9 . 1 1 61 61 LYS C C 61 177.994 177.994 178.864 -0.870 25849 2899 1 9 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.525 0.247 25849 2900 1 9 . 1 1 61 61 LYS CB C 61 32.495 32.495 31.837 0.658 25849 2901 1 9 . 1 1 62 62 TRP N N 62 120.517 120.517 121.882 -1.365 25849 2902 1 9 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.370 -0.043 25849 2903 1 9 . 1 1 62 62 TRP C C 62 177.118 177.118 178.268 -1.150 25849 2904 1 9 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.493 -2.157 25849 2905 1 9 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.258 -1.139 25849 2906 1 9 . 1 1 63 63 LYS N N 63 119.074 119.074 119.574 -0.500 25849 2907 1 9 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.154 -0.359 25849 2908 1 9 . 1 1 63 63 LYS C C 63 177.429 177.429 179.444 -2.015 25849 2909 1 9 . 1 1 63 63 LYS CA C 63 58.089 58.089 60.010 -1.921 25849 2910 1 9 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.207 0.538 25849 2911 1 9 . 1 1 64 64 ARG N N 64 118.825 118.825 118.264 0.561 25849 2912 1 9 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.058 0.026 25849 2913 1 9 . 1 1 64 64 ARG C C 64 177.231 177.231 178.849 -1.618 25849 2914 1 9 . 1 1 64 64 ARG CA C 64 57.470 57.470 59.198 -1.728 25849 2915 1 9 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.036 0.242 25849 2916 1 9 . 1 1 65 65 ILE N N 65 120.523 120.523 118.878 1.645 25849 2917 1 9 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.625 0.248 25849 2918 1 9 . 1 1 65 65 ILE C C 65 177.198 177.198 176.353 0.845 25849 2919 1 9 . 1 1 65 65 ILE CA C 65 62.392 62.392 63.361 -0.969 25849 2920 1 9 . 1 1 65 65 ILE CB C 65 38.398 38.398 36.901 1.498 25849 2921 1 9 . 1 1 66 66 LYS N N 66 123.201 123.201 117.641 5.560 25849 2922 1 9 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.073 -0.000 25849 2923 1 9 . 1 1 66 66 LYS C C 66 176.387 176.387 177.454 -1.067 25849 2924 1 9 . 1 1 66 66 LYS CA C 66 56.625 56.625 57.674 -1.049 25849 2925 1 9 . 1 1 66 66 LYS CB C 66 32.364 32.364 33.097 -0.733 25849 2926 1 9 . 1 1 67 67 ALA N N 67 123.500 123.500 119.837 3.663 25849 2927 1 9 . 1 1 67 67 ALA HA H 67 4.202 4.202 3.974 0.228 25849 2928 1 9 . 1 1 67 67 ALA C C 67 177.870 177.870 177.566 0.304 25849 2929 1 9 . 1 1 67 67 ALA CA C 67 52.583 52.583 53.259 -0.676 25849 2930 1 9 . 1 1 67 67 ALA CB C 67 19.086 19.086 17.530 1.556 25849 2931 1 9 . 1 1 68 68 GLY N N 68 107.120 107.120 107.696 -0.576 25849 2932 1 9 . 1 1 68 68 GLY C C 68 173.688 173.688 173.931 -0.243 25849 2933 1 9 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.630 0.718 25849 2934 1 9 . 1 1 69 69 ASN N N 69 118.671 118.671 117.373 1.298 25849 2935 1 9 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.555 0.128 25849 2936 1 9 . 1 1 69 69 ASN C C 69 174.792 174.792 175.224 -0.432 25849 2937 1 9 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.787 -0.778 25849 2938 1 9 . 1 1 69 69 ASN CB C 69 39.064 39.064 37.763 1.301 25849 2939 1 9 . 1 1 70 70 VAL N N 70 119.480 119.480 114.534 4.946 25849 2940 1 9 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.729 0.401 25849 2941 1 9 . 1 1 70 70 VAL C C 70 175.126 175.126 176.243 -1.117 25849 2942 1 9 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.255 -1.164 25849 2943 1 9 . 1 1 70 70 VAL CB C 70 32.863 32.863 30.027 2.836 25849 2944 1 10 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.373 -0.008 25849 2945 1 10 . 1 1 3 3 PRO C C 3 177.410 177.410 176.206 1.204 25849 2946 1 10 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.534 0.727 25849 2947 1 10 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.443 -0.661 25849 2948 1 10 . 1 1 4 4 GLY N N 4 109.481 109.481 107.149 2.332 25849 2949 1 10 . 1 1 4 4 GLY C C 4 173.688 173.688 174.203 -0.515 25849 2950 1 10 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.002 0.073 25849 2951 1 10 . 1 1 5 5 GLY N N 5 108.665 108.665 109.483 -0.818 25849 2952 1 10 . 1 1 5 5 GLY C C 5 174.231 174.231 173.866 0.365 25849 2953 1 10 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.735 0.647 25849 2954 1 10 . 1 1 6 6 LYS N N 6 120.860 120.860 120.892 -0.032 25849 2955 1 10 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.460 -0.204 25849 2956 1 10 . 1 1 6 6 LYS C C 6 176.715 176.715 175.057 1.658 25849 2957 1 10 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.919 0.374 25849 2958 1 10 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.951 -0.145 25849 2959 1 10 . 1 1 7 7 SER N N 7 116.762 116.762 116.369 0.393 25849 2960 1 10 . 1 1 7 7 SER HA H 7 4.344 4.344 4.803 -0.459 25849 2961 1 10 . 1 1 7 7 SER C C 7 174.437 174.437 173.746 0.691 25849 2962 1 10 . 1 1 7 7 SER CA C 7 58.373 58.373 57.731 0.642 25849 2963 1 10 . 1 1 7 7 SER CB C 7 63.557 63.557 64.793 -1.236 25849 2964 1 10 . 1 1 8 8 ARG N N 8 123.315 123.315 120.478 2.837 25849 2965 1 10 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.377 -0.114 25849 2966 1 10 . 1 1 8 8 ARG C C 8 176.017 176.017 174.614 1.403 25849 2967 1 10 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.810 -0.859 25849 2968 1 10 . 1 1 8 8 ARG CB C 8 30.533 30.533 31.791 -1.258 25849 2969 1 10 . 1 1 9 9 ARG N N 9 122.423 122.423 123.429 -1.006 25849 2970 1 10 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.500 -0.272 25849 2971 1 10 . 1 1 9 9 ARG C C 9 176.001 176.001 174.636 1.365 25849 2972 1 10 . 1 1 9 9 ARG CA C 9 55.936 55.936 56.000 -0.064 25849 2973 1 10 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.185 -0.560 25849 2974 1 10 . 1 1 10 10 ARG N N 10 123.297 123.297 122.704 0.593 25849 2975 1 10 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.644 -0.395 25849 2976 1 10 . 1 1 10 10 ARG C C 10 176.008 176.008 175.728 0.280 25849 2977 1 10 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.149 0.717 25849 2978 1 10 . 1 1 10 10 ARG CB C 10 30.716 30.716 31.683 -0.968 25849 2979 1 10 . 1 1 11 11 ARG N N 11 123.308 123.308 125.241 -1.933 25849 2980 1 10 . 1 1 11 11 ARG HA H 11 4.312 4.312 3.907 0.405 25849 2981 1 10 . 1 1 11 11 ARG C C 11 176.115 176.115 174.965 1.150 25849 2982 1 10 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.551 -0.472 25849 2983 1 10 . 1 1 11 11 ARG CB C 11 30.783 30.783 29.755 1.028 25849 2984 1 10 . 1 1 12 12 THR N N 12 116.294 116.294 117.404 -1.110 25849 2985 1 10 . 1 1 12 12 THR HA H 12 4.193 4.193 4.378 -0.185 25849 2986 1 10 . 1 1 12 12 THR C C 12 173.498 173.498 174.984 -1.486 25849 2987 1 10 . 1 1 12 12 THR CA C 12 61.491 61.491 62.554 -1.063 25849 2988 1 10 . 1 1 12 12 THR CB C 12 69.706 69.706 69.758 -0.052 25849 2989 1 10 . 1 1 13 13 ALA N N 13 127.117 127.117 125.600 1.517 25849 2990 1 10 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.261 -0.040 25849 2991 1 10 . 1 1 13 13 ALA C C 13 176.874 176.874 176.376 0.498 25849 2992 1 10 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.857 -0.834 25849 2993 1 10 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.032 1.600 25849 2994 1 10 . 1 1 14 14 PHE N N 14 118.798 118.798 124.522 -5.724 25849 2995 1 10 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.026 -0.134 25849 2996 1 10 . 1 1 14 14 PHE C C 14 176.653 176.653 176.367 0.286 25849 2997 1 10 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.771 0.363 25849 2998 1 10 . 1 1 14 14 PHE CB C 14 40.512 40.512 41.498 -0.986 25849 2999 1 10 . 1 1 15 15 THR N N 15 113.522 113.522 115.816 -2.294 25849 3000 1 10 . 1 1 15 15 THR HA H 15 4.426 4.426 4.659 -0.233 25849 3001 1 10 . 1 1 15 15 THR C C 15 175.371 175.371 175.976 -0.605 25849 3002 1 10 . 1 1 15 15 THR CA C 15 60.434 60.434 61.295 -0.861 25849 3003 1 10 . 1 1 15 15 THR CB C 15 70.826 70.826 70.435 0.391 25849 3004 1 10 . 1 1 16 16 SER N N 16 116.611 116.611 116.507 0.104 25849 3005 1 10 . 1 1 16 16 SER HA H 16 3.862 3.862 4.013 -0.150 25849 3006 1 10 . 1 1 16 16 SER C C 16 176.742 176.742 176.806 -0.064 25849 3007 1 10 . 1 1 16 16 SER CA C 16 62.165 62.165 61.333 0.832 25849 3008 1 10 . 1 1 16 16 SER CB C 16 61.908 61.908 62.654 -0.746 25849 3009 1 10 . 1 1 17 17 GLU N N 17 120.901 120.901 120.946 -0.045 25849 3010 1 10 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.976 -0.033 25849 3011 1 10 . 1 1 17 17 GLU C C 17 178.802 178.802 178.561 0.241 25849 3012 1 10 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.564 0.517 25849 3013 1 10 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.334 -0.228 25849 3014 1 10 . 1 1 18 18 GLN N N 18 118.523 118.523 117.693 0.830 25849 3015 1 10 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.995 -0.249 25849 3016 1 10 . 1 1 18 18 GLN C C 18 177.493 177.493 178.603 -1.110 25849 3017 1 10 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.356 0.527 25849 3018 1 10 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.782 -0.724 25849 3019 1 10 . 1 1 19 19 LEU N N 19 117.349 117.349 118.538 -1.189 25849 3020 1 10 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.892 -0.360 25849 3021 1 10 . 1 1 19 19 LEU C C 19 178.289 178.289 178.409 -0.120 25849 3022 1 10 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.263 1.456 25849 3023 1 10 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.633 0.357 25849 3024 1 10 . 1 1 20 20 LEU N N 20 118.800 118.800 120.814 -2.014 25849 3025 1 10 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.016 -0.144 25849 3026 1 10 . 1 1 20 20 LEU C C 20 179.808 179.808 178.674 1.134 25849 3027 1 10 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.955 0.377 25849 3028 1 10 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.111 0.893 25849 3029 1 10 . 1 1 21 21 GLU N N 21 118.036 118.036 118.690 -0.654 25849 3030 1 10 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.995 0.042 25849 3031 1 10 . 1 1 21 21 GLU C C 21 175.996 175.996 179.350 -3.354 25849 3032 1 10 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.417 -1.007 25849 3033 1 10 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.140 0.673 25849 3034 1 10 . 1 1 22 22 LEU N N 22 121.854 121.854 119.114 2.740 25849 3035 1 10 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.988 -0.502 25849 3036 1 10 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.945 0.310 25849 3037 1 10 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.073 -2.638 25849 3038 1 10 . 1 1 23 23 ARG N N 23 116.956 116.956 117.535 -0.579 25849 3039 1 10 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.204 -0.279 25849 3040 1 10 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.754 1.394 25849 3041 1 10 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.210 -0.199 25849 3042 1 10 . 1 1 24 24 LYS N N 24 121.392 121.392 120.378 1.014 25849 3043 1 10 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.052 -0.071 25849 3044 1 10 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.337 0.372 25849 3045 1 10 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.063 0.379 25849 3046 1 10 . 1 1 25 25 GLU N N 25 119.698 119.698 118.611 1.087 25849 3047 1 10 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.202 0.038 25849 3048 1 10 . 1 1 25 25 GLU C C 25 178.495 178.495 179.172 -0.677 25849 3049 1 10 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.953 -0.190 25849 3050 1 10 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.363 -0.648 25849 3051 1 10 . 1 1 26 26 PHE N N 26 121.062 121.062 119.646 1.416 25849 3052 1 10 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.175 0.456 25849 3053 1 10 . 1 1 26 26 PHE C C 26 176.071 176.071 176.644 -0.573 25849 3054 1 10 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.067 -1.237 25849 3055 1 10 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.386 0.195 25849 3056 1 10 . 1 1 27 27 HIS N N 27 115.944 115.944 115.558 0.386 25849 3057 1 10 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.552 -0.518 25849 3058 1 10 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.886 0.345 25849 3059 1 10 . 1 1 27 27 HIS CB C 27 29.096 29.096 32.378 -3.282 25849 3060 1 10 . 1 1 28 28 CYS N N 28 113.854 113.854 118.811 -4.957 25849 3061 1 10 . 1 1 28 28 CYS C C 28 175.913 175.913 174.677 1.236 25849 3062 1 10 . 1 1 28 28 CYS CA C 28 51.047 51.047 62.350 -11.303 25849 3063 1 10 . 1 1 28 28 CYS CB C 28 49.898 49.898 28.816 21.082 25849 3064 1 10 . 1 1 29 29 LYS N N 29 121.350 121.350 118.940 2.410 25849 3065 1 10 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.388 -0.124 25849 3066 1 10 . 1 1 29 29 LYS C C 29 172.365 172.365 174.643 -2.278 25849 3067 1 10 . 1 1 29 29 LYS CA C 29 56.072 56.072 54.996 1.076 25849 3068 1 10 . 1 1 29 29 LYS CB C 29 35.073 35.073 34.680 0.393 25849 3069 1 10 . 1 1 30 30 LYS N N 30 117.744 117.744 118.308 -0.564 25849 3070 1 10 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.376 -0.660 25849 3071 1 10 . 1 1 30 30 LYS C C 30 174.932 174.932 175.444 -0.512 25849 3072 1 10 . 1 1 30 30 LYS CA C 30 55.928 55.928 56.217 -0.289 25849 3073 1 10 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.815 -0.267 25849 3074 1 10 . 1 1 31 31 TYR N N 31 113.437 113.437 115.775 -2.338 25849 3075 1 10 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.884 -0.384 25849 3076 1 10 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.975 0.419 25849 3077 1 10 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.344 1.817 25849 3078 1 10 . 1 1 32 32 LEU N N 32 122.416 122.416 123.754 -1.338 25849 3079 1 10 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.642 -0.021 25849 3080 1 10 . 1 1 32 32 LEU C C 32 177.448 177.448 177.071 0.377 25849 3081 1 10 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.784 -0.999 25849 3082 1 10 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.796 1.903 25849 3083 1 10 . 1 1 33 33 SER N N 33 119.021 119.021 120.343 -1.322 25849 3084 1 10 . 1 1 33 33 SER HA H 33 4.495 4.495 4.383 0.112 25849 3085 1 10 . 1 1 33 33 SER C C 33 174.599 174.599 175.807 -1.208 25849 3086 1 10 . 1 1 33 33 SER CA C 33 56.591 56.591 58.583 -1.992 25849 3087 1 10 . 1 1 33 33 SER CB C 33 64.944 64.944 63.854 1.090 25849 3088 1 10 . 1 1 34 34 LEU N N 34 121.555 121.555 123.559 -2.004 25849 3089 1 10 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.102 -0.196 25849 3090 1 10 . 1 1 34 34 LEU C C 34 179.869 179.869 178.354 1.515 25849 3091 1 10 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.535 0.383 25849 3092 1 10 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.719 0.666 25849 3093 1 10 . 1 1 35 35 THR N N 35 113.629 113.629 111.727 1.902 25849 3094 1 10 . 1 1 35 35 THR HA H 35 3.861 3.861 4.182 -0.321 25849 3095 1 10 . 1 1 35 35 THR C C 35 176.846 176.846 176.618 0.228 25849 3096 1 10 . 1 1 35 35 THR CA C 35 65.790 65.790 65.793 -0.003 25849 3097 1 10 . 1 1 35 35 THR CB C 35 68.421 68.421 68.397 0.024 25849 3098 1 10 . 1 1 36 36 GLU N N 36 122.918 122.918 122.261 0.657 25849 3099 1 10 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.050 -0.139 25849 3100 1 10 . 1 1 36 36 GLU C C 36 178.858 178.858 178.681 0.177 25849 3101 1 10 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.375 -0.528 25849 3102 1 10 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.137 1.401 25849 3103 1 10 . 1 1 37 37 ARG N N 37 119.042 119.042 119.284 -0.242 25849 3104 1 10 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.027 -0.343 25849 3105 1 10 . 1 1 37 37 ARG C C 37 177.748 177.748 178.180 -0.432 25849 3106 1 10 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.628 1.408 25849 3107 1 10 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.158 0.654 25849 3108 1 10 . 1 1 38 38 SER N N 38 113.447 113.447 114.581 -1.134 25849 3109 1 10 . 1 1 38 38 SER HA H 38 4.004 4.004 4.229 -0.225 25849 3110 1 10 . 1 1 38 38 SER C C 38 176.517 176.517 176.271 0.246 25849 3111 1 10 . 1 1 38 38 SER CA C 38 61.804 61.804 61.517 0.288 25849 3112 1 10 . 1 1 38 38 SER CB C 38 62.810 62.810 63.066 -0.256 25849 3113 1 10 . 1 1 39 39 GLN N N 39 121.739 121.739 122.229 -0.490 25849 3114 1 10 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.050 -0.003 25849 3115 1 10 . 1 1 39 39 GLN C C 39 178.889 178.889 178.610 0.279 25849 3116 1 10 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.291 -0.201 25849 3117 1 10 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.946 -0.631 25849 3118 1 10 . 1 1 40 40 ILE N N 40 121.471 121.471 114.400 7.071 25849 3119 1 10 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.950 -0.113 25849 3120 1 10 . 1 1 40 40 ILE C C 40 176.844 176.844 176.568 0.276 25849 3121 1 10 . 1 1 40 40 ILE CA C 40 64.398 64.398 60.953 3.445 25849 3122 1 10 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.106 2.069 25849 3123 1 10 . 1 1 41 41 ALA N N 41 121.897 121.897 121.808 0.089 25849 3124 1 10 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.148 -0.554 25849 3125 1 10 . 1 1 41 41 ALA C C 41 179.238 179.238 178.912 0.326 25849 3126 1 10 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.350 1.576 25849 3127 1 10 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.598 -2.014 25849 3128 1 10 . 1 1 42 42 HIS N N 42 114.139 114.139 120.851 -6.712 25849 3129 1 10 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.315 0.008 25849 3130 1 10 . 1 1 42 42 HIS C C 42 178.003 178.003 178.110 -0.107 25849 3131 1 10 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.228 -0.483 25849 3132 1 10 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.931 -1.169 25849 3133 1 10 . 1 1 43 43 ALA N N 43 121.931 121.931 122.476 -0.545 25849 3134 1 10 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.079 -0.087 25849 3135 1 10 . 1 1 43 43 ALA C C 43 179.235 179.235 178.072 1.163 25849 3136 1 10 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.597 0.314 25849 3137 1 10 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.663 -0.261 25849 3138 1 10 . 1 1 44 44 LEU N N 44 114.067 114.067 114.854 -0.787 25849 3139 1 10 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.408 -0.169 25849 3140 1 10 . 1 1 44 44 LEU C C 44 175.891 175.891 175.832 0.059 25849 3141 1 10 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.758 0.478 25849 3142 1 10 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.466 0.114 25849 3143 1 10 . 1 1 45 45 LYS N N 45 116.940 116.940 116.104 0.836 25849 3144 1 10 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.791 0.086 25849 3145 1 10 . 1 1 45 45 LYS C C 45 175.207 175.207 175.826 -0.619 25849 3146 1 10 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.335 -0.081 25849 3147 1 10 . 1 1 45 45 LYS CB C 45 28.397 28.397 29.884 -1.487 25849 3148 1 10 . 1 1 46 46 LEU N N 46 119.505 119.505 118.315 1.190 25849 3149 1 10 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.381 0.326 25849 3150 1 10 . 1 1 46 46 LEU C C 46 175.958 175.958 176.073 -0.115 25849 3151 1 10 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.402 -1.063 25849 3152 1 10 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.572 3.740 25849 3153 1 10 . 1 1 47 47 SER N N 47 114.844 114.844 114.580 0.264 25849 3154 1 10 . 1 1 47 47 SER HA H 47 4.641 4.641 4.464 0.177 25849 3155 1 10 . 1 1 47 47 SER C C 47 175.899 175.899 175.732 0.167 25849 3156 1 10 . 1 1 47 47 SER CA C 47 56.675 56.675 57.298 -0.623 25849 3157 1 10 . 1 1 47 47 SER CB C 47 64.911 64.911 64.268 0.643 25849 3158 1 10 . 1 1 48 48 GLU N N 48 122.920 122.920 125.553 -2.633 25849 3159 1 10 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.046 -0.451 25849 3160 1 10 . 1 1 48 48 GLU C C 48 178.430 178.430 178.604 -0.174 25849 3161 1 10 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.704 1.411 25849 3162 1 10 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.783 -0.773 25849 3163 1 10 . 1 1 49 49 VAL N N 49 118.053 118.053 119.028 -0.975 25849 3164 1 10 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.728 -0.038 25849 3165 1 10 . 1 1 49 49 VAL C C 49 177.001 177.001 178.118 -1.117 25849 3166 1 10 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.975 -0.222 25849 3167 1 10 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.675 0.134 25849 3168 1 10 . 1 1 50 50 GLN N N 50 119.121 119.121 118.553 0.568 25849 3169 1 10 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.205 -0.131 25849 3170 1 10 . 1 1 50 50 GLN C C 50 179.480 179.480 178.950 0.530 25849 3171 1 10 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.097 0.157 25849 3172 1 10 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.685 0.972 25849 3173 1 10 . 1 1 51 51 VAL N N 51 118.983 118.983 119.112 -0.129 25849 3174 1 10 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.068 -0.424 25849 3175 1 10 . 1 1 51 51 VAL C C 51 176.652 176.652 177.948 -1.296 25849 3176 1 10 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.445 0.976 25849 3177 1 10 . 1 1 51 51 VAL CB C 51 32.160 32.160 30.647 1.513 25849 3178 1 10 . 1 1 52 52 LYS N N 52 120.962 120.962 120.979 -0.017 25849 3179 1 10 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.120 0.047 25849 3180 1 10 . 1 1 52 52 LYS C C 52 179.592 179.592 179.434 0.158 25849 3181 1 10 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.795 0.153 25849 3182 1 10 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.097 1.194 25849 3183 1 10 . 1 1 53 53 ILE N N 53 120.085 120.085 119.462 0.623 25849 3184 1 10 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.953 -0.218 25849 3185 1 10 . 1 1 53 53 ILE C C 53 177.452 177.452 177.657 -0.205 25849 3186 1 10 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.420 -0.194 25849 3187 1 10 . 1 1 53 53 ILE CB C 53 38.026 38.026 38.024 0.002 25849 3188 1 10 . 1 1 54 54 TRP N N 54 122.169 122.169 123.115 -0.946 25849 3189 1 10 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.121 -0.134 25849 3190 1 10 . 1 1 54 54 TRP C C 54 179.143 179.143 178.013 1.130 25849 3191 1 10 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.340 1.252 25849 3192 1 10 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.714 -0.774 25849 3193 1 10 . 1 1 55 55 PHE N N 55 118.530 118.530 117.090 1.440 25849 3194 1 10 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.327 -0.673 25849 3195 1 10 . 1 1 55 55 PHE C C 55 177.833 177.833 178.108 -0.275 25849 3196 1 10 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.790 0.412 25849 3197 1 10 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.864 0.675 25849 3198 1 10 . 1 1 56 56 GLN N N 56 118.313 118.313 118.796 -0.483 25849 3199 1 10 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.039 -0.150 25849 3200 1 10 . 1 1 56 56 GLN C C 56 179.052 179.052 178.402 0.650 25849 3201 1 10 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.865 0.620 25849 3202 1 10 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.096 0.473 25849 3203 1 10 . 1 1 57 57 ASN N N 57 119.607 119.607 118.844 0.763 25849 3204 1 10 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.327 -0.046 25849 3205 1 10 . 1 1 57 57 ASN C C 57 177.385 177.385 177.474 -0.089 25849 3206 1 10 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.194 -0.802 25849 3207 1 10 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.303 -0.470 25849 3208 1 10 . 1 1 58 58 GLU N N 58 124.516 124.516 121.011 3.505 25849 3209 1 10 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.792 -0.431 25849 3210 1 10 . 1 1 58 58 GLU C C 58 179.522 179.522 178.702 0.820 25849 3211 1 10 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.748 -0.461 25849 3212 1 10 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.013 -1.481 25849 3213 1 10 . 1 1 59 59 ARG N N 59 118.692 118.692 118.291 0.401 25849 3214 1 10 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.489 -0.349 25849 3215 1 10 . 1 1 59 59 ARG C C 59 178.813 178.813 178.316 0.497 25849 3216 1 10 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.053 1.860 25849 3217 1 10 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.269 1.422 25849 3218 1 10 . 1 1 60 60 ALA N N 60 120.662 120.662 121.197 -0.535 25849 3219 1 10 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.550 -0.467 25849 3220 1 10 . 1 1 60 60 ALA C C 60 179.753 179.753 178.599 1.154 25849 3221 1 10 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.245 0.555 25849 3222 1 10 . 1 1 60 60 ALA CB C 60 17.898 17.898 19.488 -1.590 25849 3223 1 10 . 1 1 61 61 LYS N N 61 118.620 118.620 119.261 -0.641 25849 3224 1 10 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.964 -0.123 25849 3225 1 10 . 1 1 61 61 LYS C C 61 177.994 177.994 178.221 -0.227 25849 3226 1 10 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.440 0.332 25849 3227 1 10 . 1 1 61 61 LYS CB C 61 32.495 32.495 31.745 0.750 25849 3228 1 10 . 1 1 62 62 TRP N N 62 120.517 120.517 121.012 -0.495 25849 3229 1 10 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.380 -0.053 25849 3230 1 10 . 1 1 62 62 TRP C C 62 177.118 177.118 178.082 -0.964 25849 3231 1 10 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.160 -1.825 25849 3232 1 10 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.526 -1.407 25849 3233 1 10 . 1 1 63 63 LYS N N 63 119.074 119.074 117.940 1.134 25849 3234 1 10 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.150 -0.355 25849 3235 1 10 . 1 1 63 63 LYS C C 63 177.429 177.429 177.711 -0.282 25849 3236 1 10 . 1 1 63 63 LYS CA C 63 58.089 58.089 58.567 -0.478 25849 3237 1 10 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.030 0.715 25849 3238 1 10 . 1 1 64 64 ARG N N 64 118.825 118.825 118.102 0.723 25849 3239 1 10 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.085 -0.001 25849 3240 1 10 . 1 1 64 64 ARG C C 64 177.231 177.231 177.957 -0.726 25849 3241 1 10 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.033 -0.563 25849 3242 1 10 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.249 0.029 25849 3243 1 10 . 1 1 65 65 ILE N N 65 120.523 120.523 117.377 3.146 25849 3244 1 10 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.917 -0.044 25849 3245 1 10 . 1 1 65 65 ILE C C 65 177.198 177.198 175.836 1.362 25849 3246 1 10 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.188 0.204 25849 3247 1 10 . 1 1 65 65 ILE CB C 65 38.398 38.398 38.545 -0.147 25849 3248 1 10 . 1 1 66 66 LYS N N 66 123.201 123.201 121.623 1.578 25849 3249 1 10 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.194 -0.121 25849 3250 1 10 . 1 1 66 66 LYS C C 66 176.387 176.387 176.910 -0.523 25849 3251 1 10 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.055 0.570 25849 3252 1 10 . 1 1 66 66 LYS CB C 66 32.364 32.364 29.931 2.433 25849 3253 1 10 . 1 1 67 67 ALA N N 67 123.500 123.500 127.304 -3.804 25849 3254 1 10 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.003 0.199 25849 3255 1 10 . 1 1 67 67 ALA C C 67 177.870 177.870 177.726 0.144 25849 3256 1 10 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.461 -1.878 25849 3257 1 10 . 1 1 67 67 ALA CB C 67 19.086 19.086 18.963 0.123 25849 3258 1 10 . 1 1 68 68 GLY N N 68 107.120 107.120 105.012 2.108 25849 3259 1 10 . 1 1 68 68 GLY C C 68 173.688 173.688 174.255 -0.567 25849 3260 1 10 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.038 0.310 25849 3261 1 10 . 1 1 69 69 ASN N N 69 118.671 118.671 118.987 -0.316 25849 3262 1 10 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.984 -0.301 25849 3263 1 10 . 1 1 69 69 ASN C C 69 174.792 174.792 176.220 -1.428 25849 3264 1 10 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.344 -0.335 25849 3265 1 10 . 1 1 69 69 ASN CB C 69 39.064 39.064 40.564 -1.500 25849 3266 1 10 . 1 1 70 70 VAL N N 70 119.480 119.480 119.168 0.312 25849 3267 1 10 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.705 0.425 25849 3268 1 10 . 1 1 70 70 VAL C C 70 175.126 175.126 175.352 -0.226 25849 3269 1 10 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.221 -1.130 25849 3270 1 10 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.731 1.132 25849 3271 1 11 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.329 0.036 25849 3272 1 11 . 1 1 3 3 PRO C C 3 177.410 177.410 177.165 0.245 25849 3273 1 11 . 1 1 3 3 PRO CA C 3 63.261 63.261 63.754 -0.493 25849 3274 1 11 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.432 -0.650 25849 3275 1 11 . 1 1 4 4 GLY N N 4 109.481 109.481 107.664 1.817 25849 3276 1 11 . 1 1 4 4 GLY C C 4 173.688 173.688 174.505 -0.817 25849 3277 1 11 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.967 0.109 25849 3278 1 11 . 1 1 5 5 GLY N N 5 108.665 108.665 110.284 -1.619 25849 3279 1 11 . 1 1 5 5 GLY C C 5 174.231 174.231 174.372 -0.141 25849 3280 1 11 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.452 0.930 25849 3281 1 11 . 1 1 6 6 LYS N N 6 120.860 120.860 119.425 1.435 25849 3282 1 11 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.458 -0.202 25849 3283 1 11 . 1 1 6 6 LYS C C 6 176.715 176.715 175.491 1.224 25849 3284 1 11 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.912 -0.620 25849 3285 1 11 . 1 1 6 6 LYS CB C 6 32.806 32.806 33.099 -0.293 25849 3286 1 11 . 1 1 7 7 SER N N 7 116.762 116.762 115.173 1.589 25849 3287 1 11 . 1 1 7 7 SER HA H 7 4.344 4.344 4.614 -0.270 25849 3288 1 11 . 1 1 7 7 SER C C 7 174.437 174.437 173.329 1.108 25849 3289 1 11 . 1 1 7 7 SER CA C 7 58.373 58.373 57.345 1.028 25849 3290 1 11 . 1 1 7 7 SER CB C 7 63.557 63.557 64.852 -1.295 25849 3291 1 11 . 1 1 8 8 ARG N N 8 123.315 123.315 121.563 1.752 25849 3292 1 11 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.588 -0.325 25849 3293 1 11 . 1 1 8 8 ARG C C 8 176.017 176.017 176.161 -0.144 25849 3294 1 11 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.653 0.298 25849 3295 1 11 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.930 -0.397 25849 3296 1 11 . 1 1 9 9 ARG N N 9 122.423 122.423 121.297 1.126 25849 3297 1 11 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.587 -0.359 25849 3298 1 11 . 1 1 9 9 ARG C C 9 176.001 176.001 174.597 1.404 25849 3299 1 11 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.064 0.872 25849 3300 1 11 . 1 1 9 9 ARG CB C 9 30.625 30.625 32.431 -1.806 25849 3301 1 11 . 1 1 10 10 ARG N N 10 123.297 123.297 125.099 -1.802 25849 3302 1 11 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.384 -0.135 25849 3303 1 11 . 1 1 10 10 ARG C C 10 176.008 176.008 176.461 -0.453 25849 3304 1 11 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.642 -0.776 25849 3305 1 11 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.328 0.388 25849 3306 1 11 . 1 1 11 11 ARG N N 11 123.308 123.308 125.652 -2.344 25849 3307 1 11 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.453 -0.141 25849 3308 1 11 . 1 1 11 11 ARG C C 11 176.115 176.115 174.821 1.294 25849 3309 1 11 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.131 0.948 25849 3310 1 11 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.316 0.467 25849 3311 1 11 . 1 1 12 12 THR N N 12 116.294 116.294 113.536 2.758 25849 3312 1 11 . 1 1 12 12 THR HA H 12 4.193 4.193 4.167 0.026 25849 3313 1 11 . 1 1 12 12 THR C C 12 173.498 173.498 173.964 -0.466 25849 3314 1 11 . 1 1 12 12 THR CA C 12 61.491 61.491 62.744 -1.253 25849 3315 1 11 . 1 1 12 12 THR CB C 12 69.706 69.706 69.149 0.557 25849 3316 1 11 . 1 1 13 13 ALA N N 13 127.117 127.117 125.286 1.831 25849 3317 1 11 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.533 -0.312 25849 3318 1 11 . 1 1 13 13 ALA C C 13 176.874 176.874 176.450 0.424 25849 3319 1 11 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.409 -0.386 25849 3320 1 11 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.460 1.172 25849 3321 1 11 . 1 1 14 14 PHE N N 14 118.798 118.798 123.403 -4.605 25849 3322 1 11 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.886 0.006 25849 3323 1 11 . 1 1 14 14 PHE C C 14 176.653 176.653 176.176 0.477 25849 3324 1 11 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.930 0.204 25849 3325 1 11 . 1 1 14 14 PHE CB C 14 40.512 40.512 41.332 -0.820 25849 3326 1 11 . 1 1 15 15 THR N N 15 113.522 113.522 115.705 -2.183 25849 3327 1 11 . 1 1 15 15 THR HA H 15 4.426 4.426 4.583 -0.157 25849 3328 1 11 . 1 1 15 15 THR C C 15 175.371 175.371 175.743 -0.372 25849 3329 1 11 . 1 1 15 15 THR CA C 15 60.434 60.434 61.016 -0.582 25849 3330 1 11 . 1 1 15 15 THR CB C 15 70.826 70.826 70.200 0.626 25849 3331 1 11 . 1 1 16 16 SER N N 16 116.611 116.611 116.366 0.245 25849 3332 1 11 . 1 1 16 16 SER HA H 16 3.862 3.862 4.100 -0.238 25849 3333 1 11 . 1 1 16 16 SER C C 16 176.742 176.742 175.974 0.768 25849 3334 1 11 . 1 1 16 16 SER CA C 16 62.165 62.165 61.600 0.565 25849 3335 1 11 . 1 1 16 16 SER CB C 16 61.908 61.908 62.914 -1.006 25849 3336 1 11 . 1 1 17 17 GLU N N 17 120.901 120.901 121.147 -0.246 25849 3337 1 11 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.036 -0.093 25849 3338 1 11 . 1 1 17 17 GLU C C 17 178.802 178.802 178.278 0.524 25849 3339 1 11 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.039 1.042 25849 3340 1 11 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.442 -0.336 25849 3341 1 11 . 1 1 18 18 GLN N N 18 118.523 118.523 118.217 0.306 25849 3342 1 11 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.012 -0.266 25849 3343 1 11 . 1 1 18 18 GLN C C 18 177.493 177.493 178.802 -1.309 25849 3344 1 11 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.330 0.554 25849 3345 1 11 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.659 -0.601 25849 3346 1 11 . 1 1 19 19 LEU N N 19 117.349 117.349 118.545 -1.196 25849 3347 1 11 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.744 -0.212 25849 3348 1 11 . 1 1 19 19 LEU C C 19 178.289 178.289 178.403 -0.114 25849 3349 1 11 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.565 1.154 25849 3350 1 11 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.604 0.386 25849 3351 1 11 . 1 1 20 20 LEU N N 20 118.800 118.800 120.266 -1.466 25849 3352 1 11 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.036 -0.164 25849 3353 1 11 . 1 1 20 20 LEU C C 20 179.808 179.808 178.228 1.580 25849 3354 1 11 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.497 0.835 25849 3355 1 11 . 1 1 20 20 LEU CB C 20 42.004 42.004 42.296 -0.292 25849 3356 1 11 . 1 1 21 21 GLU N N 21 118.036 118.036 119.026 -0.990 25849 3357 1 11 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.982 0.055 25849 3358 1 11 . 1 1 21 21 GLU C C 21 175.996 175.996 179.347 -3.351 25849 3359 1 11 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.504 -1.094 25849 3360 1 11 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.487 0.326 25849 3361 1 11 . 1 1 22 22 LEU N N 22 121.854 121.854 119.705 2.149 25849 3362 1 11 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.958 -0.472 25849 3363 1 11 . 1 1 22 22 LEU CA C 22 58.255 58.255 58.439 -0.184 25849 3364 1 11 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.202 -2.767 25849 3365 1 11 . 1 1 23 23 ARG N N 23 116.956 116.956 116.816 0.140 25849 3366 1 11 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.138 -0.213 25849 3367 1 11 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.090 1.058 25849 3368 1 11 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.323 -0.312 25849 3369 1 11 . 1 1 24 24 LYS N N 24 121.392 121.392 118.647 2.745 25849 3370 1 11 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.531 -0.550 25849 3371 1 11 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.360 1.349 25849 3372 1 11 . 1 1 24 24 LYS CB C 24 32.442 32.442 31.999 0.443 25849 3373 1 11 . 1 1 25 25 GLU N N 25 119.698 119.698 118.118 1.580 25849 3374 1 11 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.297 -0.057 25849 3375 1 11 . 1 1 25 25 GLU C C 25 178.495 178.495 177.928 0.567 25849 3376 1 11 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.422 0.341 25849 3377 1 11 . 1 1 25 25 GLU CB C 25 28.715 28.715 30.293 -1.578 25849 3378 1 11 . 1 1 26 26 PHE N N 26 121.062 121.062 120.160 0.902 25849 3379 1 11 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.349 0.282 25849 3380 1 11 . 1 1 26 26 PHE C C 26 176.071 176.071 176.073 -0.002 25849 3381 1 11 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.145 -1.315 25849 3382 1 11 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.443 0.138 25849 3383 1 11 . 1 1 27 27 HIS N N 27 115.944 115.944 113.662 2.282 25849 3384 1 11 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.274 -0.240 25849 3385 1 11 . 1 1 27 27 HIS CA C 27 58.231 58.231 56.837 1.394 25849 3386 1 11 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.484 -0.388 25849 3387 1 11 . 1 1 28 28 CYS N N 28 113.854 113.854 118.910 -5.056 25849 3388 1 11 . 1 1 28 28 CYS C C 28 175.913 175.913 174.373 1.540 25849 3389 1 11 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.661 -8.614 25849 3390 1 11 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.296 19.602 25849 3391 1 11 . 1 1 29 29 LYS N N 29 121.350 121.350 121.296 0.054 25849 3392 1 11 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.393 -0.129 25849 3393 1 11 . 1 1 29 29 LYS C C 29 172.365 172.365 177.041 -4.676 25849 3394 1 11 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.340 0.732 25849 3395 1 11 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.546 1.527 25849 3396 1 11 . 1 1 30 30 LYS N N 30 117.744 117.744 123.919 -6.175 25849 3397 1 11 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.954 -0.238 25849 3398 1 11 . 1 1 30 30 LYS C C 30 174.932 174.932 176.039 -1.107 25849 3399 1 11 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.724 -1.796 25849 3400 1 11 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.774 -0.226 25849 3401 1 11 . 1 1 31 31 TYR N N 31 113.437 113.437 114.362 -0.925 25849 3402 1 11 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.658 -0.158 25849 3403 1 11 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.702 0.693 25849 3404 1 11 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.188 1.973 25849 3405 1 11 . 1 1 32 32 LEU N N 32 122.416 122.416 122.742 -0.326 25849 3406 1 11 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.551 0.070 25849 3407 1 11 . 1 1 32 32 LEU C C 32 177.448 177.448 177.232 0.216 25849 3408 1 11 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.116 -1.331 25849 3409 1 11 . 1 1 32 32 LEU CB C 32 44.699 44.699 41.731 2.968 25849 3410 1 11 . 1 1 33 33 SER N N 33 119.021 119.021 119.251 -0.230 25849 3411 1 11 . 1 1 33 33 SER HA H 33 4.495 4.495 4.483 0.012 25849 3412 1 11 . 1 1 33 33 SER C C 33 174.599 174.599 176.021 -1.422 25849 3413 1 11 . 1 1 33 33 SER CA C 33 56.591 56.591 58.519 -1.928 25849 3414 1 11 . 1 1 33 33 SER CB C 33 64.944 64.944 64.100 0.844 25849 3415 1 11 . 1 1 34 34 LEU N N 34 121.555 121.555 123.693 -2.138 25849 3416 1 11 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.092 -0.186 25849 3417 1 11 . 1 1 34 34 LEU C C 34 179.869 179.869 178.741 1.128 25849 3418 1 11 . 1 1 34 34 LEU CA C 34 58.918 58.918 59.140 -0.222 25849 3419 1 11 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.520 0.865 25849 3420 1 11 . 1 1 35 35 THR N N 35 113.629 113.629 113.519 0.110 25849 3421 1 11 . 1 1 35 35 THR HA H 35 3.861 3.861 4.066 -0.205 25849 3422 1 11 . 1 1 35 35 THR C C 35 176.846 176.846 176.694 0.152 25849 3423 1 11 . 1 1 35 35 THR CA C 35 65.790 65.790 66.106 -0.316 25849 3424 1 11 . 1 1 35 35 THR CB C 35 68.421 68.421 68.358 0.063 25849 3425 1 11 . 1 1 36 36 GLU N N 36 122.918 122.918 122.252 0.666 25849 3426 1 11 . 1 1 36 36 GLU HA H 36 3.911 3.911 3.867 0.044 25849 3427 1 11 . 1 1 36 36 GLU C C 36 178.858 178.858 178.674 0.184 25849 3428 1 11 . 1 1 36 36 GLU CA C 36 58.847 58.847 60.048 -1.201 25849 3429 1 11 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.042 1.496 25849 3430 1 11 . 1 1 37 37 ARG N N 37 119.042 119.042 117.449 1.593 25849 3431 1 11 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.009 -0.325 25849 3432 1 11 . 1 1 37 37 ARG C C 37 177.748 177.748 176.781 0.967 25849 3433 1 11 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.480 1.556 25849 3434 1 11 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.130 0.682 25849 3435 1 11 . 1 1 38 38 SER N N 38 113.447 113.447 113.921 -0.474 25849 3436 1 11 . 1 1 38 38 SER HA H 38 4.004 4.004 4.468 -0.464 25849 3437 1 11 . 1 1 38 38 SER C C 38 176.517 176.517 176.215 0.302 25849 3438 1 11 . 1 1 38 38 SER CA C 38 61.804 61.804 60.069 1.735 25849 3439 1 11 . 1 1 38 38 SER CB C 38 62.810 62.810 63.541 -0.731 25849 3440 1 11 . 1 1 39 39 GLN N N 39 121.739 121.739 123.277 -1.538 25849 3441 1 11 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.013 0.034 25849 3442 1 11 . 1 1 39 39 GLN C C 39 178.889 178.889 178.130 0.759 25849 3443 1 11 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.540 -0.450 25849 3444 1 11 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.886 -0.571 25849 3445 1 11 . 1 1 40 40 ILE N N 40 121.471 121.471 116.914 4.557 25849 3446 1 11 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.970 -0.133 25849 3447 1 11 . 1 1 40 40 ILE C C 40 176.844 176.844 177.382 -0.538 25849 3448 1 11 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.356 3.042 25849 3449 1 11 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.349 1.826 25849 3450 1 11 . 1 1 41 41 ALA N N 41 121.897 121.897 122.642 -0.745 25849 3451 1 11 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.092 -0.498 25849 3452 1 11 . 1 1 41 41 ALA C C 41 179.238 179.238 178.621 0.617 25849 3453 1 11 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.400 1.526 25849 3454 1 11 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.926 -1.342 25849 3455 1 11 . 1 1 42 42 HIS N N 42 114.139 114.139 120.079 -5.940 25849 3456 1 11 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.258 0.065 25849 3457 1 11 . 1 1 42 42 HIS C C 42 178.003 178.003 178.202 -0.199 25849 3458 1 11 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.610 -0.865 25849 3459 1 11 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.073 -1.310 25849 3460 1 11 . 1 1 43 43 ALA N N 43 121.931 121.931 122.811 -0.880 25849 3461 1 11 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.182 -0.190 25849 3462 1 11 . 1 1 43 43 ALA C C 43 179.235 179.235 177.752 1.483 25849 3463 1 11 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.831 0.080 25849 3464 1 11 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.842 -0.439 25849 3465 1 11 . 1 1 44 44 LEU N N 44 114.067 114.067 111.924 2.143 25849 3466 1 11 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.626 -0.387 25849 3467 1 11 . 1 1 44 44 LEU C C 44 175.891 175.891 175.824 0.067 25849 3468 1 11 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.459 0.777 25849 3469 1 11 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.307 0.273 25849 3470 1 11 . 1 1 45 45 LYS N N 45 116.940 116.940 114.574 2.366 25849 3471 1 11 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.746 0.131 25849 3472 1 11 . 1 1 45 45 LYS C C 45 175.207 175.207 176.036 -0.829 25849 3473 1 11 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.380 -0.126 25849 3474 1 11 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.376 -1.979 25849 3475 1 11 . 1 1 46 46 LEU N N 46 119.505 119.505 118.926 0.579 25849 3476 1 11 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.363 0.344 25849 3477 1 11 . 1 1 46 46 LEU C C 46 175.958 175.958 176.259 -0.301 25849 3478 1 11 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.148 -1.810 25849 3479 1 11 . 1 1 46 46 LEU CB C 46 47.312 47.312 42.953 4.359 25849 3480 1 11 . 1 1 47 47 SER N N 47 114.844 114.844 115.011 -0.167 25849 3481 1 11 . 1 1 47 47 SER HA H 47 4.641 4.641 4.486 0.155 25849 3482 1 11 . 1 1 47 47 SER C C 47 175.899 175.899 175.883 0.016 25849 3483 1 11 . 1 1 47 47 SER CA C 47 56.675 56.675 58.223 -1.548 25849 3484 1 11 . 1 1 47 47 SER CB C 47 64.911 64.911 64.041 0.870 25849 3485 1 11 . 1 1 48 48 GLU N N 48 122.920 122.920 123.295 -0.375 25849 3486 1 11 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.125 -0.530 25849 3487 1 11 . 1 1 48 48 GLU C C 48 178.430 178.430 178.705 -0.275 25849 3488 1 11 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.805 1.310 25849 3489 1 11 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.495 -0.485 25849 3490 1 11 . 1 1 49 49 VAL N N 49 118.053 118.053 119.158 -1.105 25849 3491 1 11 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.832 -0.142 25849 3492 1 11 . 1 1 49 49 VAL C C 49 177.001 177.001 178.261 -1.260 25849 3493 1 11 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.198 -0.445 25849 3494 1 11 . 1 1 49 49 VAL CB C 49 31.809 31.809 30.885 0.924 25849 3495 1 11 . 1 1 50 50 GLN N N 50 119.121 119.121 118.194 0.927 25849 3496 1 11 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.158 -0.084 25849 3497 1 11 . 1 1 50 50 GLN C C 50 179.480 179.480 179.076 0.404 25849 3498 1 11 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.144 0.110 25849 3499 1 11 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.425 1.232 25849 3500 1 11 . 1 1 51 51 VAL N N 51 118.983 118.983 119.795 -0.812 25849 3501 1 11 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.990 -0.346 25849 3502 1 11 . 1 1 51 51 VAL C C 51 176.652 176.652 178.067 -1.415 25849 3503 1 11 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.823 0.598 25849 3504 1 11 . 1 1 51 51 VAL CB C 51 32.160 32.160 30.920 1.240 25849 3505 1 11 . 1 1 52 52 LYS N N 52 120.962 120.962 120.662 0.300 25849 3506 1 11 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.098 0.069 25849 3507 1 11 . 1 1 52 52 LYS C C 52 179.592 179.592 179.467 0.125 25849 3508 1 11 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.843 0.105 25849 3509 1 11 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.403 0.888 25849 3510 1 11 . 1 1 53 53 ILE N N 53 120.085 120.085 117.861 2.224 25849 3511 1 11 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.956 -0.221 25849 3512 1 11 . 1 1 53 53 ILE C C 53 177.452 177.452 178.265 -0.813 25849 3513 1 11 . 1 1 53 53 ILE CA C 53 64.226 64.226 62.365 1.861 25849 3514 1 11 . 1 1 53 53 ILE CB C 53 38.026 38.026 36.511 1.515 25849 3515 1 11 . 1 1 54 54 TRP N N 54 122.169 122.169 123.022 -0.853 25849 3516 1 11 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.145 -0.158 25849 3517 1 11 . 1 1 54 54 TRP C C 54 179.143 179.143 178.254 0.889 25849 3518 1 11 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.080 1.512 25849 3519 1 11 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.489 -0.549 25849 3520 1 11 . 1 1 55 55 PHE N N 55 118.530 118.530 118.198 0.332 25849 3521 1 11 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.486 -0.832 25849 3522 1 11 . 1 1 55 55 PHE C C 55 177.833 177.833 178.323 -0.490 25849 3523 1 11 . 1 1 55 55 PHE CA C 55 63.202 63.202 61.934 1.268 25849 3524 1 11 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.139 0.400 25849 3525 1 11 . 1 1 56 56 GLN N N 56 118.313 118.313 118.834 -0.521 25849 3526 1 11 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.056 -0.167 25849 3527 1 11 . 1 1 56 56 GLN C C 56 179.052 179.052 178.300 0.752 25849 3528 1 11 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.272 0.213 25849 3529 1 11 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.106 0.463 25849 3530 1 11 . 1 1 57 57 ASN N N 57 119.607 119.607 118.050 1.557 25849 3531 1 11 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.471 -0.190 25849 3532 1 11 . 1 1 57 57 ASN C C 57 177.385 177.385 177.267 0.118 25849 3533 1 11 . 1 1 57 57 ASN CA C 57 55.392 55.392 55.923 -0.531 25849 3534 1 11 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.349 -0.516 25849 3535 1 11 . 1 1 58 58 GLU N N 58 124.516 124.516 120.672 3.844 25849 3536 1 11 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.972 -0.611 25849 3537 1 11 . 1 1 58 58 GLU C C 58 179.522 179.522 178.112 1.410 25849 3538 1 11 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.852 -0.565 25849 3539 1 11 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.632 -2.100 25849 3540 1 11 . 1 1 59 59 ARG N N 59 118.692 118.692 119.850 -1.158 25849 3541 1 11 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.408 -0.268 25849 3542 1 11 . 1 1 59 59 ARG C C 59 178.813 178.813 178.600 0.213 25849 3543 1 11 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.477 1.437 25849 3544 1 11 . 1 1 59 59 ARG CB C 59 31.691 31.691 29.882 1.809 25849 3545 1 11 . 1 1 60 60 ALA N N 60 120.662 120.662 121.715 -1.053 25849 3546 1 11 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.187 -0.104 25849 3547 1 11 . 1 1 60 60 ALA C C 60 179.753 179.753 178.795 0.958 25849 3548 1 11 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.851 -0.051 25849 3549 1 11 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.272 -0.374 25849 3550 1 11 . 1 1 61 61 LYS N N 61 118.620 118.620 118.637 -0.017 25849 3551 1 11 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.030 -0.189 25849 3552 1 11 . 1 1 61 61 LYS C C 61 177.994 177.994 179.067 -1.073 25849 3553 1 11 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.711 0.062 25849 3554 1 11 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.080 0.415 25849 3555 1 11 . 1 1 62 62 TRP N N 62 120.517 120.517 122.513 -1.996 25849 3556 1 11 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.434 -0.107 25849 3557 1 11 . 1 1 62 62 TRP C C 62 177.118 177.118 178.531 -1.413 25849 3558 1 11 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.860 -1.524 25849 3559 1 11 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.012 -0.893 25849 3560 1 11 . 1 1 63 63 LYS N N 63 119.074 119.074 118.220 0.854 25849 3561 1 11 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.242 -0.447 25849 3562 1 11 . 1 1 63 63 LYS C C 63 177.429 177.429 178.797 -1.368 25849 3563 1 11 . 1 1 63 63 LYS CA C 63 58.089 58.089 58.998 -0.909 25849 3564 1 11 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.082 0.663 25849 3565 1 11 . 1 1 64 64 ARG N N 64 118.825 118.825 117.897 0.928 25849 3566 1 11 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.222 -0.138 25849 3567 1 11 . 1 1 64 64 ARG C C 64 177.231 177.231 177.454 -0.223 25849 3568 1 11 . 1 1 64 64 ARG CA C 64 57.470 57.470 57.619 -0.149 25849 3569 1 11 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.601 -0.323 25849 3570 1 11 . 1 1 65 65 ILE N N 65 120.523 120.523 116.819 3.704 25849 3571 1 11 . 1 1 65 65 ILE HA H 65 3.873 3.873 4.194 -0.321 25849 3572 1 11 . 1 1 65 65 ILE C C 65 177.198 177.198 175.832 1.366 25849 3573 1 11 . 1 1 65 65 ILE CA C 65 62.392 62.392 60.589 1.803 25849 3574 1 11 . 1 1 65 65 ILE CB C 65 38.398 38.398 38.260 0.139 25849 3575 1 11 . 1 1 66 66 LYS N N 66 123.201 123.201 122.739 0.462 25849 3576 1 11 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.319 -0.246 25849 3577 1 11 . 1 1 66 66 LYS C C 66 176.387 176.387 177.014 -0.627 25849 3578 1 11 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.216 0.409 25849 3579 1 11 . 1 1 66 66 LYS CB C 66 32.364 32.364 29.963 2.401 25849 3580 1 11 . 1 1 67 67 ALA N N 67 123.500 123.500 123.675 -0.175 25849 3581 1 11 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.287 -0.085 25849 3582 1 11 . 1 1 67 67 ALA C C 67 177.870 177.870 177.795 0.075 25849 3583 1 11 . 1 1 67 67 ALA CA C 67 52.583 52.583 51.855 0.729 25849 3584 1 11 . 1 1 67 67 ALA CB C 67 19.086 19.086 17.954 1.132 25849 3585 1 11 . 1 1 68 68 GLY N N 68 107.120 107.120 107.741 -0.621 25849 3586 1 11 . 1 1 68 68 GLY C C 68 173.688 173.688 174.138 -0.450 25849 3587 1 11 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.391 -0.043 25849 3588 1 11 . 1 1 69 69 ASN N N 69 118.671 118.671 118.103 0.568 25849 3589 1 11 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.800 -0.117 25849 3590 1 11 . 1 1 69 69 ASN C C 69 174.792 174.792 175.546 -0.754 25849 3591 1 11 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.338 -0.329 25849 3592 1 11 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.809 -0.746 25849 3593 1 11 . 1 1 70 70 VAL N N 70 119.480 119.480 120.308 -0.828 25849 3594 1 11 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.641 0.489 25849 3595 1 11 . 1 1 70 70 VAL C C 70 175.126 175.126 175.642 -0.516 25849 3596 1 11 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.427 -1.336 25849 3597 1 11 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.191 1.672 25849 3598 1 12 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.366 -0.001 25849 3599 1 12 . 1 1 3 3 PRO C C 3 177.410 177.410 177.403 0.007 25849 3600 1 12 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.762 0.499 25849 3601 1 12 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.297 -0.515 25849 3602 1 12 . 1 1 4 4 GLY N N 4 109.481 109.481 107.473 2.008 25849 3603 1 12 . 1 1 4 4 GLY C C 4 173.688 173.688 174.703 -1.015 25849 3604 1 12 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.415 0.660 25849 3605 1 12 . 1 1 5 5 GLY N N 5 108.665 108.665 107.655 1.010 25849 3606 1 12 . 1 1 5 5 GLY C C 5 174.231 174.231 173.840 0.391 25849 3607 1 12 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.830 0.552 25849 3608 1 12 . 1 1 6 6 LYS N N 6 120.860 120.860 121.286 -0.426 25849 3609 1 12 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.400 -0.144 25849 3610 1 12 . 1 1 6 6 LYS C C 6 176.715 176.715 175.418 1.297 25849 3611 1 12 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.615 0.677 25849 3612 1 12 . 1 1 6 6 LYS CB C 6 32.806 32.806 34.190 -1.384 25849 3613 1 12 . 1 1 7 7 SER N N 7 116.762 116.762 117.848 -1.086 25849 3614 1 12 . 1 1 7 7 SER HA H 7 4.344 4.344 4.441 -0.097 25849 3615 1 12 . 1 1 7 7 SER C C 7 174.437 174.437 173.403 1.034 25849 3616 1 12 . 1 1 7 7 SER CA C 7 58.373 58.373 58.843 -0.470 25849 3617 1 12 . 1 1 7 7 SER CB C 7 63.557 63.557 63.803 -0.246 25849 3618 1 12 . 1 1 8 8 ARG N N 8 123.315 123.315 123.224 0.091 25849 3619 1 12 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.515 -0.252 25849 3620 1 12 . 1 1 8 8 ARG C C 8 176.017 176.017 175.208 0.809 25849 3621 1 12 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.492 0.459 25849 3622 1 12 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.733 -0.200 25849 3623 1 12 . 1 1 9 9 ARG N N 9 122.423 122.423 123.129 -0.706 25849 3624 1 12 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.326 -0.098 25849 3625 1 12 . 1 1 9 9 ARG C C 9 176.001 176.001 176.193 -0.192 25849 3626 1 12 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.554 0.382 25849 3627 1 12 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.003 -0.378 25849 3628 1 12 . 1 1 10 10 ARG N N 10 123.297 123.297 121.519 1.778 25849 3629 1 12 . 1 1 10 10 ARG HA H 10 4.249 4.249 3.921 0.328 25849 3630 1 12 . 1 1 10 10 ARG C C 10 176.008 176.008 174.535 1.473 25849 3631 1 12 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.579 -0.713 25849 3632 1 12 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.364 1.352 25849 3633 1 12 . 1 1 11 11 ARG N N 11 123.308 123.308 122.843 0.465 25849 3634 1 12 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.439 -0.127 25849 3635 1 12 . 1 1 11 11 ARG C C 11 176.115 176.115 175.566 0.549 25849 3636 1 12 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.664 0.415 25849 3637 1 12 . 1 1 11 11 ARG CB C 11 30.783 30.783 31.963 -1.180 25849 3638 1 12 . 1 1 12 12 THR N N 12 116.294 116.294 119.107 -2.813 25849 3639 1 12 . 1 1 12 12 THR HA H 12 4.193 4.193 4.377 -0.184 25849 3640 1 12 . 1 1 12 12 THR C C 12 173.498 173.498 175.265 -1.767 25849 3641 1 12 . 1 1 12 12 THR CA C 12 61.491 61.491 62.525 -1.034 25849 3642 1 12 . 1 1 12 12 THR CB C 12 69.706 69.706 69.554 0.152 25849 3643 1 12 . 1 1 13 13 ALA N N 13 127.117 127.117 125.532 1.585 25849 3644 1 12 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.490 -0.269 25849 3645 1 12 . 1 1 13 13 ALA C C 13 176.874 176.874 176.371 0.503 25849 3646 1 12 . 1 1 13 13 ALA CA C 13 52.023 52.023 51.718 0.305 25849 3647 1 12 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.028 1.604 25849 3648 1 12 . 1 1 14 14 PHE N N 14 118.798 118.798 122.793 -3.995 25849 3649 1 12 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.051 -0.159 25849 3650 1 12 . 1 1 14 14 PHE C C 14 176.653 176.653 176.869 -0.216 25849 3651 1 12 . 1 1 14 14 PHE CA C 14 56.134 56.134 54.807 1.327 25849 3652 1 12 . 1 1 14 14 PHE CB C 14 40.512 40.512 40.137 0.375 25849 3653 1 12 . 1 1 15 15 THR N N 15 113.522 113.522 115.775 -2.253 25849 3654 1 12 . 1 1 15 15 THR HA H 15 4.426 4.426 4.530 -0.104 25849 3655 1 12 . 1 1 15 15 THR C C 15 175.371 175.371 175.752 -0.381 25849 3656 1 12 . 1 1 15 15 THR CA C 15 60.434 60.434 61.263 -0.829 25849 3657 1 12 . 1 1 15 15 THR CB C 15 70.826 70.826 70.343 0.483 25849 3658 1 12 . 1 1 16 16 SER N N 16 116.611 116.611 116.972 -0.361 25849 3659 1 12 . 1 1 16 16 SER HA H 16 3.862 3.862 4.079 -0.217 25849 3660 1 12 . 1 1 16 16 SER C C 16 176.742 176.742 176.434 0.308 25849 3661 1 12 . 1 1 16 16 SER CA C 16 62.165 62.165 62.254 -0.089 25849 3662 1 12 . 1 1 16 16 SER CB C 16 61.908 61.908 62.902 -0.994 25849 3663 1 12 . 1 1 17 17 GLU N N 17 120.901 120.901 120.293 0.608 25849 3664 1 12 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.935 0.008 25849 3665 1 12 . 1 1 17 17 GLU C C 17 178.802 178.802 178.531 0.271 25849 3666 1 12 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.786 0.295 25849 3667 1 12 . 1 1 17 17 GLU CB C 17 29.106 29.106 28.846 0.260 25849 3668 1 12 . 1 1 18 18 GLN N N 18 118.523 118.523 118.395 0.128 25849 3669 1 12 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.880 -0.134 25849 3670 1 12 . 1 1 18 18 GLN C C 18 177.493 177.493 178.259 -0.766 25849 3671 1 12 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.434 0.450 25849 3672 1 12 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.738 -0.680 25849 3673 1 12 . 1 1 19 19 LEU N N 19 117.349 117.349 118.697 -1.348 25849 3674 1 12 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.676 -0.144 25849 3675 1 12 . 1 1 19 19 LEU C C 19 178.289 178.289 178.680 -0.391 25849 3676 1 12 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.784 0.935 25849 3677 1 12 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.503 0.487 25849 3678 1 12 . 1 1 20 20 LEU N N 20 118.800 118.800 120.577 -1.777 25849 3679 1 12 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.843 0.029 25849 3680 1 12 . 1 1 20 20 LEU C C 20 179.808 179.808 178.635 1.173 25849 3681 1 12 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.918 0.414 25849 3682 1 12 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.821 0.183 25849 3683 1 12 . 1 1 21 21 GLU N N 21 118.036 118.036 118.596 -0.560 25849 3684 1 12 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.946 0.091 25849 3685 1 12 . 1 1 21 21 GLU C C 21 175.996 175.996 179.247 -3.251 25849 3686 1 12 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.362 -0.952 25849 3687 1 12 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.149 0.663 25849 3688 1 12 . 1 1 22 22 LEU N N 22 121.854 121.854 117.360 4.494 25849 3689 1 12 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.884 -0.398 25849 3690 1 12 . 1 1 22 22 LEU CA C 22 58.255 58.255 56.523 1.732 25849 3691 1 12 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.895 -2.460 25849 3692 1 12 . 1 1 23 23 ARG N N 23 116.956 116.956 117.832 -0.876 25849 3693 1 12 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.153 -0.228 25849 3694 1 12 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.389 1.759 25849 3695 1 12 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.145 -0.134 25849 3696 1 12 . 1 1 24 24 LYS N N 24 121.392 121.392 118.958 2.434 25849 3697 1 12 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.207 -0.226 25849 3698 1 12 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.534 1.175 25849 3699 1 12 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.670 -0.228 25849 3700 1 12 . 1 1 25 25 GLU N N 25 119.698 119.698 119.760 -0.062 25849 3701 1 12 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.219 0.021 25849 3702 1 12 . 1 1 25 25 GLU C C 25 178.495 178.495 179.289 -0.794 25849 3703 1 12 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.628 0.135 25849 3704 1 12 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.136 -0.421 25849 3705 1 12 . 1 1 26 26 PHE N N 26 121.062 121.062 121.577 -0.515 25849 3706 1 12 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.400 0.231 25849 3707 1 12 . 1 1 26 26 PHE C C 26 176.071 176.071 177.021 -0.950 25849 3708 1 12 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.154 -1.324 25849 3709 1 12 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.116 0.465 25849 3710 1 12 . 1 1 27 27 HIS N N 27 115.944 115.944 116.287 -0.343 25849 3711 1 12 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.274 -0.240 25849 3712 1 12 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.870 0.361 25849 3713 1 12 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.873 -0.777 25849 3714 1 12 . 1 1 28 28 CYS N N 28 113.854 113.854 118.175 -4.321 25849 3715 1 12 . 1 1 28 28 CYS C C 28 175.913 175.913 174.554 1.359 25849 3716 1 12 . 1 1 28 28 CYS CA C 28 51.047 51.047 60.376 -9.329 25849 3717 1 12 . 1 1 28 28 CYS CB C 28 49.898 49.898 28.918 20.980 25849 3718 1 12 . 1 1 29 29 LYS N N 29 121.350 121.350 116.462 4.888 25849 3719 1 12 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.365 -0.101 25849 3720 1 12 . 1 1 29 29 LYS C C 29 172.365 172.365 174.731 -2.366 25849 3721 1 12 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.992 0.080 25849 3722 1 12 . 1 1 29 29 LYS CB C 29 35.073 35.073 34.635 0.438 25849 3723 1 12 . 1 1 30 30 LYS N N 30 117.744 117.744 117.526 0.218 25849 3724 1 12 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.377 -0.661 25849 3725 1 12 . 1 1 30 30 LYS C C 30 174.932 174.932 175.222 -0.290 25849 3726 1 12 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.060 -1.132 25849 3727 1 12 . 1 1 30 30 LYS CB C 30 32.548 32.548 33.844 -1.296 25849 3728 1 12 . 1 1 31 31 TYR N N 31 113.437 113.437 118.571 -5.134 25849 3729 1 12 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.575 -0.075 25849 3730 1 12 . 1 1 31 31 TYR CA C 31 56.394 56.394 57.021 -0.627 25849 3731 1 12 . 1 1 31 31 TYR CB C 31 41.161 41.161 41.033 0.127 25849 3732 1 12 . 1 1 32 32 LEU N N 32 122.416 122.416 122.329 0.087 25849 3733 1 12 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.752 -0.131 25849 3734 1 12 . 1 1 32 32 LEU C C 32 177.448 177.448 176.427 1.021 25849 3735 1 12 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.377 -0.592 25849 3736 1 12 . 1 1 32 32 LEU CB C 32 44.699 44.699 44.547 0.152 25849 3737 1 12 . 1 1 33 33 SER N N 33 119.021 119.021 116.357 2.664 25849 3738 1 12 . 1 1 33 33 SER HA H 33 4.495 4.495 4.489 0.006 25849 3739 1 12 . 1 1 33 33 SER C C 33 174.599 174.599 176.019 -1.420 25849 3740 1 12 . 1 1 33 33 SER CA C 33 56.591 56.591 58.274 -1.683 25849 3741 1 12 . 1 1 33 33 SER CB C 33 64.944 64.944 64.332 0.612 25849 3742 1 12 . 1 1 34 34 LEU N N 34 121.555 121.555 124.275 -2.720 25849 3743 1 12 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.139 -0.233 25849 3744 1 12 . 1 1 34 34 LEU C C 34 179.869 179.869 178.952 0.917 25849 3745 1 12 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.715 0.203 25849 3746 1 12 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.595 0.790 25849 3747 1 12 . 1 1 35 35 THR N N 35 113.629 113.629 113.343 0.286 25849 3748 1 12 . 1 1 35 35 THR HA H 35 3.861 3.861 3.998 -0.137 25849 3749 1 12 . 1 1 35 35 THR C C 35 176.846 176.846 175.966 0.880 25849 3750 1 12 . 1 1 35 35 THR CA C 35 65.790 65.790 65.786 0.004 25849 3751 1 12 . 1 1 35 35 THR CB C 35 68.421 68.421 68.566 -0.145 25849 3752 1 12 . 1 1 36 36 GLU N N 36 122.918 122.918 120.368 2.550 25849 3753 1 12 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.244 -0.333 25849 3754 1 12 . 1 1 36 36 GLU C C 36 178.858 178.858 178.507 0.351 25849 3755 1 12 . 1 1 36 36 GLU CA C 36 58.847 58.847 58.378 0.469 25849 3756 1 12 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.254 1.284 25849 3757 1 12 . 1 1 37 37 ARG N N 37 119.042 119.042 120.417 -1.375 25849 3758 1 12 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.971 -0.287 25849 3759 1 12 . 1 1 37 37 ARG C C 37 177.748 177.748 178.809 -1.061 25849 3760 1 12 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.420 0.616 25849 3761 1 12 . 1 1 37 37 ARG CB C 37 30.812 30.812 29.985 0.827 25849 3762 1 12 . 1 1 38 38 SER N N 38 113.447 113.447 113.240 0.207 25849 3763 1 12 . 1 1 38 38 SER HA H 38 4.004 4.004 4.138 -0.134 25849 3764 1 12 . 1 1 38 38 SER C C 38 176.517 176.517 176.482 0.035 25849 3765 1 12 . 1 1 38 38 SER CA C 38 61.804 61.804 60.960 0.844 25849 3766 1 12 . 1 1 38 38 SER CB C 38 62.810 62.810 62.946 -0.136 25849 3767 1 12 . 1 1 39 39 GLN N N 39 121.739 121.739 121.539 0.200 25849 3768 1 12 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.137 -0.090 25849 3769 1 12 . 1 1 39 39 GLN C C 39 178.889 178.889 178.202 0.687 25849 3770 1 12 . 1 1 39 39 GLN CA C 39 59.090 59.090 58.725 0.365 25849 3771 1 12 . 1 1 39 39 GLN CB C 39 28.315 28.315 29.017 -0.702 25849 3772 1 12 . 1 1 40 40 ILE N N 40 121.471 121.471 119.505 1.966 25849 3773 1 12 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.728 0.109 25849 3774 1 12 . 1 1 40 40 ILE C C 40 176.844 176.844 177.900 -1.056 25849 3775 1 12 . 1 1 40 40 ILE CA C 40 64.398 64.398 65.065 -0.667 25849 3776 1 12 . 1 1 40 40 ILE CB C 40 38.175 38.175 37.762 0.413 25849 3777 1 12 . 1 1 41 41 ALA N N 41 121.897 121.897 121.419 0.478 25849 3778 1 12 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.009 -0.415 25849 3779 1 12 . 1 1 41 41 ALA C C 41 179.238 179.238 178.796 0.442 25849 3780 1 12 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.950 0.975 25849 3781 1 12 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.374 -0.790 25849 3782 1 12 . 1 1 42 42 HIS N N 42 114.139 114.139 120.072 -5.933 25849 3783 1 12 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.293 0.030 25849 3784 1 12 . 1 1 42 42 HIS C C 42 178.003 178.003 177.881 0.122 25849 3785 1 12 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.387 -0.642 25849 3786 1 12 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.683 -0.922 25849 3787 1 12 . 1 1 43 43 ALA N N 43 121.931 121.931 121.002 0.929 25849 3788 1 12 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.198 -0.206 25849 3789 1 12 . 1 1 43 43 ALA C C 43 179.235 179.235 177.915 1.320 25849 3790 1 12 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.214 0.697 25849 3791 1 12 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.872 -0.469 25849 3792 1 12 . 1 1 44 44 LEU N N 44 114.067 114.067 115.942 -1.875 25849 3793 1 12 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.361 -0.122 25849 3794 1 12 . 1 1 44 44 LEU C C 44 175.891 175.891 175.958 -0.067 25849 3795 1 12 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.846 0.390 25849 3796 1 12 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.441 0.139 25849 3797 1 12 . 1 1 45 45 LYS N N 45 116.940 116.940 116.970 -0.030 25849 3798 1 12 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.762 0.115 25849 3799 1 12 . 1 1 45 45 LYS C C 45 175.207 175.207 176.022 -0.815 25849 3800 1 12 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.467 -0.213 25849 3801 1 12 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.486 -2.089 25849 3802 1 12 . 1 1 46 46 LEU N N 46 119.505 119.505 118.668 0.837 25849 3803 1 12 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.304 0.403 25849 3804 1 12 . 1 1 46 46 LEU C C 46 175.958 175.958 176.036 -0.078 25849 3805 1 12 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.066 -1.727 25849 3806 1 12 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.403 3.909 25849 3807 1 12 . 1 1 47 47 SER N N 47 114.844 114.844 115.009 -0.165 25849 3808 1 12 . 1 1 47 47 SER HA H 47 4.641 4.641 4.516 0.125 25849 3809 1 12 . 1 1 47 47 SER C C 47 175.899 175.899 175.591 0.308 25849 3810 1 12 . 1 1 47 47 SER CA C 47 56.675 56.675 58.318 -1.643 25849 3811 1 12 . 1 1 47 47 SER CB C 47 64.911 64.911 64.071 0.840 25849 3812 1 12 . 1 1 48 48 GLU N N 48 122.920 122.920 124.682 -1.762 25849 3813 1 12 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.034 -0.439 25849 3814 1 12 . 1 1 48 48 GLU C C 48 178.430 178.430 178.872 -0.442 25849 3815 1 12 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.175 0.940 25849 3816 1 12 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.250 -0.240 25849 3817 1 12 . 1 1 49 49 VAL N N 49 118.053 118.053 119.328 -1.275 25849 3818 1 12 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.708 -0.018 25849 3819 1 12 . 1 1 49 49 VAL C C 49 177.001 177.001 178.032 -1.031 25849 3820 1 12 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.044 -0.291 25849 3821 1 12 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.378 0.431 25849 3822 1 12 . 1 1 50 50 GLN N N 50 119.121 119.121 118.565 0.556 25849 3823 1 12 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.170 -0.096 25849 3824 1 12 . 1 1 50 50 GLN C C 50 179.480 179.480 178.928 0.552 25849 3825 1 12 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.989 0.265 25849 3826 1 12 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.395 1.262 25849 3827 1 12 . 1 1 51 51 VAL N N 51 118.983 118.983 120.041 -1.058 25849 3828 1 12 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.817 -0.173 25849 3829 1 12 . 1 1 51 51 VAL C C 51 176.652 176.652 177.782 -1.130 25849 3830 1 12 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.195 0.226 25849 3831 1 12 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.438 0.722 25849 3832 1 12 . 1 1 52 52 LYS N N 52 120.962 120.962 119.976 0.986 25849 3833 1 12 . 1 1 52 52 LYS HA H 52 4.167 4.167 3.994 0.173 25849 3834 1 12 . 1 1 52 52 LYS C C 52 179.592 179.592 179.134 0.458 25849 3835 1 12 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.689 0.259 25849 3836 1 12 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.116 1.175 25849 3837 1 12 . 1 1 53 53 ILE N N 53 120.085 120.085 120.707 -0.622 25849 3838 1 12 . 1 1 53 53 ILE HA H 53 3.735 3.735 4.019 -0.284 25849 3839 1 12 . 1 1 53 53 ILE C C 53 177.452 177.452 177.731 -0.279 25849 3840 1 12 . 1 1 53 53 ILE CA C 53 64.226 64.226 65.239 -1.013 25849 3841 1 12 . 1 1 53 53 ILE CB C 53 38.026 38.026 38.259 -0.233 25849 3842 1 12 . 1 1 54 54 TRP N N 54 122.169 122.169 122.488 -0.319 25849 3843 1 12 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.156 -0.169 25849 3844 1 12 . 1 1 54 54 TRP C C 54 179.143 179.143 177.829 1.314 25849 3845 1 12 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.906 1.686 25849 3846 1 12 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.911 -0.971 25849 3847 1 12 . 1 1 55 55 PHE N N 55 118.530 118.530 118.121 0.409 25849 3848 1 12 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.220 -0.566 25849 3849 1 12 . 1 1 55 55 PHE C C 55 177.833 177.833 178.131 -0.298 25849 3850 1 12 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.258 -0.056 25849 3851 1 12 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.877 0.662 25849 3852 1 12 . 1 1 56 56 GLN N N 56 118.313 118.313 118.105 0.208 25849 3853 1 12 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.076 -0.187 25849 3854 1 12 . 1 1 56 56 GLN C C 56 179.052 179.052 178.533 0.519 25849 3855 1 12 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.119 0.366 25849 3856 1 12 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.340 0.229 25849 3857 1 12 . 1 1 57 57 ASN N N 57 119.607 119.607 119.312 0.295 25849 3858 1 12 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.423 -0.142 25849 3859 1 12 . 1 1 57 57 ASN C C 57 177.385 177.385 177.606 -0.221 25849 3860 1 12 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.613 -1.221 25849 3861 1 12 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.388 -0.555 25849 3862 1 12 . 1 1 58 58 GLU N N 58 124.516 124.516 120.356 4.160 25849 3863 1 12 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.919 -0.558 25849 3864 1 12 . 1 1 58 58 GLU C C 58 179.522 179.522 178.984 0.538 25849 3865 1 12 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.783 -0.496 25849 3866 1 12 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.006 -1.474 25849 3867 1 12 . 1 1 59 59 ARG N N 59 118.692 118.692 120.586 -1.894 25849 3868 1 12 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.546 -0.406 25849 3869 1 12 . 1 1 59 59 ARG C C 59 178.813 178.813 178.616 0.197 25849 3870 1 12 . 1 1 59 59 ARG CA C 59 60.913 60.913 58.917 1.996 25849 3871 1 12 . 1 1 59 59 ARG CB C 59 31.691 31.691 29.893 1.798 25849 3872 1 12 . 1 1 60 60 ALA N N 60 120.662 120.662 121.649 -0.987 25849 3873 1 12 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.142 -0.059 25849 3874 1 12 . 1 1 60 60 ALA C C 60 179.753 179.753 179.321 0.432 25849 3875 1 12 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.316 -0.516 25849 3876 1 12 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.315 -0.417 25849 3877 1 12 . 1 1 61 61 LYS N N 61 118.620 118.620 118.167 0.453 25849 3878 1 12 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.047 -0.206 25849 3879 1 12 . 1 1 61 61 LYS C C 61 177.994 177.994 179.199 -1.205 25849 3880 1 12 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.840 -0.068 25849 3881 1 12 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.146 0.349 25849 3882 1 12 . 1 1 62 62 TRP N N 62 120.517 120.517 122.526 -2.009 25849 3883 1 12 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.460 -0.133 25849 3884 1 12 . 1 1 62 62 TRP C C 62 177.118 177.118 178.543 -1.425 25849 3885 1 12 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.852 -1.516 25849 3886 1 12 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.918 -0.799 25849 3887 1 12 . 1 1 63 63 LYS N N 63 119.074 119.074 118.714 0.360 25849 3888 1 12 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.207 -0.412 25849 3889 1 12 . 1 1 63 63 LYS C C 63 177.429 177.429 178.809 -1.380 25849 3890 1 12 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.230 -1.141 25849 3891 1 12 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.217 0.528 25849 3892 1 12 . 1 1 64 64 ARG N N 64 118.825 118.825 116.879 1.946 25849 3893 1 12 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.237 -0.153 25849 3894 1 12 . 1 1 64 64 ARG C C 64 177.231 177.231 177.482 -0.251 25849 3895 1 12 . 1 1 64 64 ARG CA C 64 57.470 57.470 57.531 -0.061 25849 3896 1 12 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.410 -0.132 25849 3897 1 12 . 1 1 65 65 ILE N N 65 120.523 120.523 118.199 2.324 25849 3898 1 12 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.814 0.059 25849 3899 1 12 . 1 1 65 65 ILE C C 65 177.198 177.198 176.237 0.961 25849 3900 1 12 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.284 0.108 25849 3901 1 12 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.643 0.755 25849 3902 1 12 . 1 1 66 66 LYS N N 66 123.201 123.201 121.817 1.384 25849 3903 1 12 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.091 -0.018 25849 3904 1 12 . 1 1 66 66 LYS C C 66 176.387 176.387 176.551 -0.164 25849 3905 1 12 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.172 0.452 25849 3906 1 12 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.586 1.778 25849 3907 1 12 . 1 1 67 67 ALA N N 67 123.500 123.500 126.907 -3.407 25849 3908 1 12 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.250 -0.048 25849 3909 1 12 . 1 1 67 67 ALA C C 67 177.870 177.870 178.054 -0.184 25849 3910 1 12 . 1 1 67 67 ALA CA C 67 52.583 52.583 53.167 -0.584 25849 3911 1 12 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.317 -0.231 25849 3912 1 12 . 1 1 68 68 GLY N N 68 107.120 107.120 105.975 1.145 25849 3913 1 12 . 1 1 68 68 GLY C C 68 173.688 173.688 173.885 -0.197 25849 3914 1 12 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.231 0.117 25849 3915 1 12 . 1 1 69 69 ASN N N 69 118.671 118.671 116.496 2.175 25849 3916 1 12 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.827 -0.144 25849 3917 1 12 . 1 1 69 69 ASN C C 69 174.792 174.792 175.587 -0.795 25849 3918 1 12 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.370 0.638 25849 3919 1 12 . 1 1 69 69 ASN CB C 69 39.064 39.064 40.175 -1.111 25849 3920 1 12 . 1 1 70 70 VAL N N 70 119.480 119.480 121.083 -1.603 25849 3921 1 12 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.238 -0.108 25849 3922 1 12 . 1 1 70 70 VAL C C 70 175.126 175.126 175.712 -0.586 25849 3923 1 12 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.011 -0.920 25849 3924 1 12 . 1 1 70 70 VAL CB C 70 32.863 32.863 29.701 3.162 25849 3925 1 13 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.453 -0.088 25849 3926 1 13 . 1 1 3 3 PRO C C 3 177.410 177.410 177.582 -0.172 25849 3927 1 13 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.590 0.671 25849 3928 1 13 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.760 -0.978 25849 3929 1 13 . 1 1 4 4 GLY N N 4 109.481 109.481 108.676 0.805 25849 3930 1 13 . 1 1 4 4 GLY C C 4 173.688 173.688 174.819 -1.131 25849 3931 1 13 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.863 0.212 25849 3932 1 13 . 1 1 5 5 GLY N N 5 108.665 108.665 109.911 -1.246 25849 3933 1 13 . 1 1 5 5 GLY C C 5 174.231 174.231 174.909 -0.678 25849 3934 1 13 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.954 0.428 25849 3935 1 13 . 1 1 6 6 LYS N N 6 120.860 120.860 120.257 0.603 25849 3936 1 13 . 1 1 6 6 LYS HA H 6 4.256 4.256 3.971 0.285 25849 3937 1 13 . 1 1 6 6 LYS C C 6 176.715 176.715 174.894 1.821 25849 3938 1 13 . 1 1 6 6 LYS CA C 6 56.292 56.292 57.191 -0.899 25849 3939 1 13 . 1 1 6 6 LYS CB C 6 32.806 32.806 31.911 0.895 25849 3940 1 13 . 1 1 7 7 SER N N 7 116.762 116.762 114.810 1.952 25849 3941 1 13 . 1 1 7 7 SER HA H 7 4.344 4.344 4.607 -0.263 25849 3942 1 13 . 1 1 7 7 SER C C 7 174.437 174.437 173.978 0.459 25849 3943 1 13 . 1 1 7 7 SER CA C 7 58.373 58.373 58.213 0.160 25849 3944 1 13 . 1 1 7 7 SER CB C 7 63.557 63.557 63.660 -0.103 25849 3945 1 13 . 1 1 8 8 ARG N N 8 123.315 123.315 122.273 1.042 25849 3946 1 13 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.373 -0.110 25849 3947 1 13 . 1 1 8 8 ARG C C 8 176.017 176.017 176.203 -0.186 25849 3948 1 13 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.172 -0.221 25849 3949 1 13 . 1 1 8 8 ARG CB C 8 30.533 30.533 31.172 -0.639 25849 3950 1 13 . 1 1 9 9 ARG N N 9 122.423 122.423 122.250 0.173 25849 3951 1 13 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.484 -0.256 25849 3952 1 13 . 1 1 9 9 ARG C C 9 176.001 176.001 176.241 -0.240 25849 3953 1 13 . 1 1 9 9 ARG CA C 9 55.936 55.936 56.089 -0.153 25849 3954 1 13 . 1 1 9 9 ARG CB C 9 30.625 30.625 30.222 0.403 25849 3955 1 13 . 1 1 10 10 ARG N N 10 123.297 123.297 123.266 0.031 25849 3956 1 13 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.460 -0.211 25849 3957 1 13 . 1 1 10 10 ARG C C 10 176.008 176.008 175.270 0.738 25849 3958 1 13 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.804 0.062 25849 3959 1 13 . 1 1 10 10 ARG CB C 10 30.716 30.716 31.400 -0.684 25849 3960 1 13 . 1 1 11 11 ARG N N 11 123.308 123.308 118.737 4.571 25849 3961 1 13 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.375 -0.063 25849 3962 1 13 . 1 1 11 11 ARG C C 11 176.115 176.115 174.702 1.413 25849 3963 1 13 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.309 0.770 25849 3964 1 13 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.592 -1.809 25849 3965 1 13 . 1 1 12 12 THR N N 12 116.294 116.294 114.703 1.591 25849 3966 1 13 . 1 1 12 12 THR HA H 12 4.193 4.193 4.598 -0.405 25849 3967 1 13 . 1 1 12 12 THR C C 12 173.498 173.498 173.348 0.150 25849 3968 1 13 . 1 1 12 12 THR CA C 12 61.491 61.491 60.949 0.542 25849 3969 1 13 . 1 1 12 12 THR CB C 12 69.706 69.706 70.996 -1.290 25849 3970 1 13 . 1 1 13 13 ALA N N 13 127.117 127.117 125.581 1.536 25849 3971 1 13 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.550 -0.329 25849 3972 1 13 . 1 1 13 13 ALA C C 13 176.874 176.874 176.767 0.107 25849 3973 1 13 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.301 -0.278 25849 3974 1 13 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.261 1.371 25849 3975 1 13 . 1 1 14 14 PHE N N 14 118.798 118.798 122.854 -4.056 25849 3976 1 13 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.965 -0.073 25849 3977 1 13 . 1 1 14 14 PHE C C 14 176.653 176.653 176.299 0.354 25849 3978 1 13 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.657 0.477 25849 3979 1 13 . 1 1 14 14 PHE CB C 14 40.512 40.512 41.018 -0.506 25849 3980 1 13 . 1 1 15 15 THR N N 15 113.522 113.522 116.092 -2.570 25849 3981 1 13 . 1 1 15 15 THR HA H 15 4.426 4.426 4.525 -0.099 25849 3982 1 13 . 1 1 15 15 THR C C 15 175.371 175.371 175.493 -0.122 25849 3983 1 13 . 1 1 15 15 THR CA C 15 60.434 60.434 61.390 -0.956 25849 3984 1 13 . 1 1 15 15 THR CB C 15 70.826 70.826 70.159 0.667 25849 3985 1 13 . 1 1 16 16 SER N N 16 116.611 116.611 117.760 -1.149 25849 3986 1 13 . 1 1 16 16 SER HA H 16 3.862 3.862 4.105 -0.243 25849 3987 1 13 . 1 1 16 16 SER C C 16 176.742 176.742 176.749 -0.007 25849 3988 1 13 . 1 1 16 16 SER CA C 16 62.165 62.165 61.641 0.524 25849 3989 1 13 . 1 1 16 16 SER CB C 16 61.908 61.908 62.881 -0.973 25849 3990 1 13 . 1 1 17 17 GLU N N 17 120.901 120.901 119.620 1.281 25849 3991 1 13 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.033 -0.090 25849 3992 1 13 . 1 1 17 17 GLU C C 17 178.802 178.802 178.257 0.545 25849 3993 1 13 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.220 0.861 25849 3994 1 13 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.093 0.013 25849 3995 1 13 . 1 1 18 18 GLN N N 18 118.523 118.523 117.779 0.744 25849 3996 1 13 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.205 -0.459 25849 3997 1 13 . 1 1 18 18 GLN C C 18 177.493 177.493 178.128 -0.635 25849 3998 1 13 . 1 1 18 18 GLN CA C 18 58.884 58.884 57.861 1.023 25849 3999 1 13 . 1 1 18 18 GLN CB C 18 28.058 28.058 29.445 -1.387 25849 4000 1 13 . 1 1 19 19 LEU N N 19 117.349 117.349 121.112 -3.763 25849 4001 1 13 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.766 -0.234 25849 4002 1 13 . 1 1 19 19 LEU C C 19 178.289 178.289 179.211 -0.922 25849 4003 1 13 . 1 1 19 19 LEU CA C 19 57.719 57.719 57.357 0.362 25849 4004 1 13 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.429 0.561 25849 4005 1 13 . 1 1 20 20 LEU N N 20 118.800 118.800 119.418 -0.618 25849 4006 1 13 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.006 -0.134 25849 4007 1 13 . 1 1 20 20 LEU C C 20 179.808 179.808 179.133 0.675 25849 4008 1 13 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.423 -0.091 25849 4009 1 13 . 1 1 20 20 LEU CB C 20 42.004 42.004 40.820 1.184 25849 4010 1 13 . 1 1 21 21 GLU N N 21 118.036 118.036 118.241 -0.205 25849 4011 1 13 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.134 -0.097 25849 4012 1 13 . 1 1 21 21 GLU C C 21 175.996 175.996 179.407 -3.411 25849 4013 1 13 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.793 -0.383 25849 4014 1 13 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.189 0.623 25849 4015 1 13 . 1 1 22 22 LEU N N 22 121.854 121.854 118.815 3.039 25849 4016 1 13 . 1 1 22 22 LEU HA H 22 3.486 3.486 4.044 -0.558 25849 4017 1 13 . 1 1 22 22 LEU CA C 22 58.255 58.255 55.925 2.330 25849 4018 1 13 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.948 -2.513 25849 4019 1 13 . 1 1 23 23 ARG N N 23 116.956 116.956 117.966 -1.010 25849 4020 1 13 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.274 -0.349 25849 4021 1 13 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.700 1.448 25849 4022 1 13 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.343 -0.332 25849 4023 1 13 . 1 1 24 24 LYS N N 24 121.392 121.392 119.180 2.212 25849 4024 1 13 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.271 -0.290 25849 4025 1 13 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.388 1.321 25849 4026 1 13 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.339 0.103 25849 4027 1 13 . 1 1 25 25 GLU N N 25 119.698 119.698 120.124 -0.426 25849 4028 1 13 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.185 0.055 25849 4029 1 13 . 1 1 25 25 GLU C C 25 178.495 178.495 178.095 0.400 25849 4030 1 13 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.852 -0.090 25849 4031 1 13 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.510 -0.795 25849 4032 1 13 . 1 1 26 26 PHE N N 26 121.062 121.062 117.489 3.573 25849 4033 1 13 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.239 0.392 25849 4034 1 13 . 1 1 26 26 PHE C C 26 176.071 176.071 175.621 0.450 25849 4035 1 13 . 1 1 26 26 PHE CA C 26 59.830 59.830 59.565 0.265 25849 4036 1 13 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.343 0.238 25849 4037 1 13 . 1 1 27 27 HIS N N 27 115.944 115.944 116.960 -1.016 25849 4038 1 13 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.537 -0.503 25849 4039 1 13 . 1 1 27 27 HIS CA C 27 58.231 58.231 56.259 1.972 25849 4040 1 13 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.967 -0.871 25849 4041 1 13 . 1 1 28 28 CYS N N 28 113.854 113.854 117.651 -3.797 25849 4042 1 13 . 1 1 28 28 CYS C C 28 175.913 175.913 174.583 1.330 25849 4043 1 13 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.801 -8.754 25849 4044 1 13 . 1 1 28 28 CYS CB C 28 49.898 49.898 31.205 18.693 25849 4045 1 13 . 1 1 29 29 LYS N N 29 121.350 121.350 121.683 -0.333 25849 4046 1 13 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.318 -0.054 25849 4047 1 13 . 1 1 29 29 LYS C C 29 172.365 172.365 176.863 -4.498 25849 4048 1 13 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.544 0.528 25849 4049 1 13 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.677 1.396 25849 4050 1 13 . 1 1 30 30 LYS N N 30 117.744 117.744 123.812 -6.068 25849 4051 1 13 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.995 -0.279 25849 4052 1 13 . 1 1 30 30 LYS C C 30 174.932 174.932 175.968 -1.036 25849 4053 1 13 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.392 -1.464 25849 4054 1 13 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.696 -0.148 25849 4055 1 13 . 1 1 31 31 TYR N N 31 113.437 113.437 115.024 -1.587 25849 4056 1 13 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.766 -0.266 25849 4057 1 13 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.394 0.000 25849 4058 1 13 . 1 1 31 31 TYR CB C 31 41.161 41.161 38.887 2.274 25849 4059 1 13 . 1 1 32 32 LEU N N 32 122.416 122.416 123.515 -1.099 25849 4060 1 13 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.635 -0.014 25849 4061 1 13 . 1 1 32 32 LEU C C 32 177.448 177.448 176.509 0.939 25849 4062 1 13 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.113 -1.328 25849 4063 1 13 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.154 1.545 25849 4064 1 13 . 1 1 33 33 SER N N 33 119.021 119.021 119.292 -0.271 25849 4065 1 13 . 1 1 33 33 SER HA H 33 4.495 4.495 4.569 -0.074 25849 4066 1 13 . 1 1 33 33 SER C C 33 174.599 174.599 175.924 -1.325 25849 4067 1 13 . 1 1 33 33 SER CA C 33 56.591 56.591 58.019 -1.428 25849 4068 1 13 . 1 1 33 33 SER CB C 33 64.944 64.944 64.147 0.797 25849 4069 1 13 . 1 1 34 34 LEU N N 34 121.555 121.555 123.977 -2.422 25849 4070 1 13 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.044 -0.138 25849 4071 1 13 . 1 1 34 34 LEU C C 34 179.869 179.869 179.066 0.803 25849 4072 1 13 . 1 1 34 34 LEU CA C 34 58.918 58.918 59.063 -0.145 25849 4073 1 13 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.040 1.345 25849 4074 1 13 . 1 1 35 35 THR N N 35 113.629 113.629 113.699 -0.070 25849 4075 1 13 . 1 1 35 35 THR HA H 35 3.861 3.861 3.988 -0.127 25849 4076 1 13 . 1 1 35 35 THR C C 35 176.846 176.846 176.784 0.062 25849 4077 1 13 . 1 1 35 35 THR CA C 35 65.790 65.790 66.281 -0.491 25849 4078 1 13 . 1 1 35 35 THR CB C 35 68.421 68.421 67.934 0.487 25849 4079 1 13 . 1 1 36 36 GLU N N 36 122.918 122.918 120.758 2.160 25849 4080 1 13 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.048 -0.137 25849 4081 1 13 . 1 1 36 36 GLU C C 36 178.858 178.858 178.993 -0.135 25849 4082 1 13 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.401 -0.554 25849 4083 1 13 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.672 1.866 25849 4084 1 13 . 1 1 37 37 ARG N N 37 119.042 119.042 119.559 -0.517 25849 4085 1 13 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.054 -0.370 25849 4086 1 13 . 1 1 37 37 ARG C C 37 177.748 177.748 179.032 -1.284 25849 4087 1 13 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.409 1.627 25849 4088 1 13 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.257 0.555 25849 4089 1 13 . 1 1 38 38 SER N N 38 113.447 113.447 115.819 -2.372 25849 4090 1 13 . 1 1 38 38 SER HA H 38 4.004 4.004 4.135 -0.131 25849 4091 1 13 . 1 1 38 38 SER C C 38 176.517 176.517 176.367 0.150 25849 4092 1 13 . 1 1 38 38 SER CA C 38 61.804 61.804 61.450 0.354 25849 4093 1 13 . 1 1 38 38 SER CB C 38 62.810 62.810 62.905 -0.095 25849 4094 1 13 . 1 1 39 39 GLN N N 39 121.739 121.739 120.968 0.771 25849 4095 1 13 . 1 1 39 39 GLN HA H 39 4.047 4.047 3.984 0.063 25849 4096 1 13 . 1 1 39 39 GLN C C 39 178.889 178.889 178.285 0.604 25849 4097 1 13 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.158 -0.068 25849 4098 1 13 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.782 -0.467 25849 4099 1 13 . 1 1 40 40 ILE N N 40 121.471 121.471 117.039 4.432 25849 4100 1 13 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.869 -0.032 25849 4101 1 13 . 1 1 40 40 ILE C C 40 176.844 176.844 176.738 0.106 25849 4102 1 13 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.632 2.767 25849 4103 1 13 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.332 1.843 25849 4104 1 13 . 1 1 41 41 ALA N N 41 121.897 121.897 121.446 0.451 25849 4105 1 13 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.062 -0.468 25849 4106 1 13 . 1 1 41 41 ALA C C 41 179.238 179.238 178.749 0.489 25849 4107 1 13 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.361 1.565 25849 4108 1 13 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.157 -1.573 25849 4109 1 13 . 1 1 42 42 HIS N N 42 114.139 114.139 120.716 -6.577 25849 4110 1 13 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.341 -0.018 25849 4111 1 13 . 1 1 42 42 HIS C C 42 178.003 178.003 178.039 -0.036 25849 4112 1 13 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.854 -1.109 25849 4113 1 13 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.134 -1.373 25849 4114 1 13 . 1 1 43 43 ALA N N 43 121.931 121.931 122.161 -0.230 25849 4115 1 13 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.203 -0.211 25849 4116 1 13 . 1 1 43 43 ALA C C 43 179.235 179.235 177.701 1.534 25849 4117 1 13 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.545 0.366 25849 4118 1 13 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.972 -0.569 25849 4119 1 13 . 1 1 44 44 LEU N N 44 114.067 114.067 116.643 -2.576 25849 4120 1 13 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.474 -0.235 25849 4121 1 13 . 1 1 44 44 LEU C C 44 175.891 175.891 176.108 -0.217 25849 4122 1 13 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.677 0.559 25849 4123 1 13 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.317 0.263 25849 4124 1 13 . 1 1 45 45 LYS N N 45 116.940 116.940 116.966 -0.026 25849 4125 1 13 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.818 0.059 25849 4126 1 13 . 1 1 45 45 LYS C C 45 175.207 175.207 175.371 -0.164 25849 4127 1 13 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.377 -0.123 25849 4128 1 13 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.018 -1.621 25849 4129 1 13 . 1 1 46 46 LEU N N 46 119.505 119.505 117.638 1.867 25849 4130 1 13 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.525 0.182 25849 4131 1 13 . 1 1 46 46 LEU C C 46 175.958 175.958 175.401 0.557 25849 4132 1 13 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.209 -0.870 25849 4133 1 13 . 1 1 46 46 LEU CB C 46 47.312 47.312 45.565 1.747 25849 4134 1 13 . 1 1 47 47 SER N N 47 114.844 114.844 114.215 0.629 25849 4135 1 13 . 1 1 47 47 SER HA H 47 4.641 4.641 4.574 0.067 25849 4136 1 13 . 1 1 47 47 SER C C 47 175.899 175.899 175.972 -0.073 25849 4137 1 13 . 1 1 47 47 SER CA C 47 56.675 56.675 57.101 -0.426 25849 4138 1 13 . 1 1 47 47 SER CB C 47 64.911 64.911 64.919 -0.008 25849 4139 1 13 . 1 1 48 48 GLU N N 48 122.920 122.920 122.520 0.400 25849 4140 1 13 . 1 1 48 48 GLU HA H 48 3.595 3.595 3.987 -0.392 25849 4141 1 13 . 1 1 48 48 GLU C C 48 178.430 178.430 178.842 -0.412 25849 4142 1 13 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.106 1.009 25849 4143 1 13 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.488 -0.478 25849 4144 1 13 . 1 1 49 49 VAL N N 49 118.053 118.053 118.801 -0.748 25849 4145 1 13 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.692 -0.002 25849 4146 1 13 . 1 1 49 49 VAL C C 49 177.001 177.001 178.113 -1.112 25849 4147 1 13 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.843 -0.090 25849 4148 1 13 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.303 0.506 25849 4149 1 13 . 1 1 50 50 GLN N N 50 119.121 119.121 119.098 0.023 25849 4150 1 13 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.200 -0.126 25849 4151 1 13 . 1 1 50 50 GLN C C 50 179.480 179.480 178.907 0.573 25849 4152 1 13 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.114 0.140 25849 4153 1 13 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.385 1.272 25849 4154 1 13 . 1 1 51 51 VAL N N 51 118.983 118.983 119.974 -0.991 25849 4155 1 13 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.881 -0.237 25849 4156 1 13 . 1 1 51 51 VAL C C 51 176.652 176.652 177.916 -1.264 25849 4157 1 13 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.443 -0.022 25849 4158 1 13 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.115 1.045 25849 4159 1 13 . 1 1 52 52 LYS N N 52 120.962 120.962 120.784 0.178 25849 4160 1 13 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.019 0.148 25849 4161 1 13 . 1 1 52 52 LYS C C 52 179.592 179.592 179.218 0.374 25849 4162 1 13 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.975 -0.027 25849 4163 1 13 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.339 0.952 25849 4164 1 13 . 1 1 53 53 ILE N N 53 120.085 120.085 119.464 0.621 25849 4165 1 13 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.791 -0.056 25849 4166 1 13 . 1 1 53 53 ILE C C 53 177.452 177.452 178.083 -0.631 25849 4167 1 13 . 1 1 53 53 ILE CA C 53 64.226 64.226 65.203 -0.977 25849 4168 1 13 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.909 0.117 25849 4169 1 13 . 1 1 54 54 TRP N N 54 122.169 122.169 122.155 0.014 25849 4170 1 13 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.206 -0.219 25849 4171 1 13 . 1 1 54 54 TRP C C 54 179.143 179.143 178.449 0.694 25849 4172 1 13 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.667 1.925 25849 4173 1 13 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.865 -0.925 25849 4174 1 13 . 1 1 55 55 PHE N N 55 118.530 118.530 118.243 0.287 25849 4175 1 13 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.229 -0.575 25849 4176 1 13 . 1 1 55 55 PHE C C 55 177.833 177.833 178.240 -0.407 25849 4177 1 13 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.776 0.425 25849 4178 1 13 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.800 0.739 25849 4179 1 13 . 1 1 56 56 GLN N N 56 118.313 118.313 118.529 -0.216 25849 4180 1 13 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.070 -0.181 25849 4181 1 13 . 1 1 56 56 GLN C C 56 179.052 179.052 178.659 0.393 25849 4182 1 13 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.094 0.390 25849 4183 1 13 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.217 0.352 25849 4184 1 13 . 1 1 57 57 ASN N N 57 119.607 119.607 117.898 1.709 25849 4185 1 13 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.491 -0.210 25849 4186 1 13 . 1 1 57 57 ASN C C 57 177.385 177.385 176.946 0.439 25849 4187 1 13 . 1 1 57 57 ASN CA C 57 55.392 55.392 55.874 -0.482 25849 4188 1 13 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.356 -0.523 25849 4189 1 13 . 1 1 58 58 GLU N N 58 124.516 124.516 119.711 4.805 25849 4190 1 13 . 1 1 58 58 GLU HA H 58 3.361 3.361 4.046 -0.685 25849 4191 1 13 . 1 1 58 58 GLU C C 58 179.522 179.522 178.188 1.334 25849 4192 1 13 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.340 -0.053 25849 4193 1 13 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.712 -2.180 25849 4194 1 13 . 1 1 59 59 ARG N N 59 118.692 118.692 119.859 -1.167 25849 4195 1 13 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.446 -0.306 25849 4196 1 13 . 1 1 59 59 ARG C C 59 178.813 178.813 178.597 0.216 25849 4197 1 13 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.721 1.192 25849 4198 1 13 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.089 1.602 25849 4199 1 13 . 1 1 60 60 ALA N N 60 120.662 120.662 119.594 1.068 25849 4200 1 13 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.376 -0.293 25849 4201 1 13 . 1 1 60 60 ALA C C 60 179.753 179.753 178.064 1.689 25849 4202 1 13 . 1 1 60 60 ALA CA C 60 54.800 54.800 53.595 1.205 25849 4203 1 13 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.394 -0.496 25849 4204 1 13 . 1 1 61 61 LYS N N 61 118.620 118.620 117.878 0.742 25849 4205 1 13 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.230 -0.389 25849 4206 1 13 . 1 1 61 61 LYS C C 61 177.994 177.994 178.741 -0.747 25849 4207 1 13 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.209 0.563 25849 4208 1 13 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.898 -0.403 25849 4209 1 13 . 1 1 62 62 TRP N N 62 120.517 120.517 122.474 -1.957 25849 4210 1 13 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.311 0.016 25849 4211 1 13 . 1 1 62 62 TRP C C 62 177.118 177.118 178.245 -1.127 25849 4212 1 13 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.296 -1.960 25849 4213 1 13 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.933 -0.814 25849 4214 1 13 . 1 1 63 63 LYS N N 63 119.074 119.074 118.796 0.278 25849 4215 1 13 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.229 -0.434 25849 4216 1 13 . 1 1 63 63 LYS C C 63 177.429 177.429 177.487 -0.058 25849 4217 1 13 . 1 1 63 63 LYS CA C 63 58.089 58.089 58.507 -0.418 25849 4218 1 13 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.079 0.666 25849 4219 1 13 . 1 1 64 64 ARG N N 64 118.825 118.825 116.263 2.562 25849 4220 1 13 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.424 -0.340 25849 4221 1 13 . 1 1 64 64 ARG C C 64 177.231 177.231 177.263 -0.032 25849 4222 1 13 . 1 1 64 64 ARG CA C 64 57.470 57.470 56.462 1.008 25849 4223 1 13 . 1 1 64 64 ARG CB C 64 30.278 30.278 31.185 -0.907 25849 4224 1 13 . 1 1 65 65 ILE N N 65 120.523 120.523 120.456 0.067 25849 4225 1 13 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.699 0.174 25849 4226 1 13 . 1 1 65 65 ILE C C 65 177.198 177.198 176.618 0.580 25849 4227 1 13 . 1 1 65 65 ILE CA C 65 62.392 62.392 63.501 -1.109 25849 4228 1 13 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.962 0.436 25849 4229 1 13 . 1 1 66 66 LYS N N 66 123.201 123.201 115.159 8.042 25849 4230 1 13 . 1 1 66 66 LYS HA H 66 4.073 4.073 3.858 0.215 25849 4231 1 13 . 1 1 66 66 LYS C C 66 176.387 176.387 175.905 0.482 25849 4232 1 13 . 1 1 66 66 LYS CA C 66 56.625 56.625 57.740 -1.115 25849 4233 1 13 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.690 1.674 25849 4234 1 13 . 1 1 67 67 ALA N N 67 123.500 123.500 120.811 2.689 25849 4235 1 13 . 1 1 67 67 ALA HA H 67 4.202 4.202 3.956 0.246 25849 4236 1 13 . 1 1 67 67 ALA C C 67 177.870 177.870 177.982 -0.112 25849 4237 1 13 . 1 1 67 67 ALA CA C 67 52.583 52.583 52.462 0.121 25849 4238 1 13 . 1 1 67 67 ALA CB C 67 19.086 19.086 17.938 1.149 25849 4239 1 13 . 1 1 68 68 GLY N N 68 107.120 107.120 106.799 0.321 25849 4240 1 13 . 1 1 68 68 GLY C C 68 173.688 173.688 173.665 0.023 25849 4241 1 13 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.912 0.436 25849 4242 1 13 . 1 1 69 69 ASN N N 69 118.671 118.671 121.046 -2.375 25849 4243 1 13 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.777 -0.094 25849 4244 1 13 . 1 1 69 69 ASN C C 69 174.792 174.792 176.378 -1.586 25849 4245 1 13 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.760 0.249 25849 4246 1 13 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.917 -0.853 25849 4247 1 13 . 1 1 70 70 VAL N N 70 119.480 119.480 120.134 -0.654 25849 4248 1 13 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.925 0.205 25849 4249 1 13 . 1 1 70 70 VAL C C 70 175.126 175.126 176.074 -0.948 25849 4250 1 13 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.526 -1.435 25849 4251 1 13 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.053 0.810 25849 4252 1 14 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.467 -0.102 25849 4253 1 14 . 1 1 3 3 PRO C C 3 177.410 177.410 177.100 0.310 25849 4254 1 14 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.884 0.377 25849 4255 1 14 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.508 -0.726 25849 4256 1 14 . 1 1 4 4 GLY N N 4 109.481 109.481 110.313 -0.832 25849 4257 1 14 . 1 1 4 4 GLY C C 4 173.688 173.688 174.795 -1.107 25849 4258 1 14 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.041 0.034 25849 4259 1 14 . 1 1 5 5 GLY N N 5 108.665 108.665 108.151 0.514 25849 4260 1 14 . 1 1 5 5 GLY C C 5 174.231 174.231 173.817 0.414 25849 4261 1 14 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.734 0.648 25849 4262 1 14 . 1 1 6 6 LYS N N 6 120.860 120.860 120.049 0.811 25849 4263 1 14 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.548 -0.292 25849 4264 1 14 . 1 1 6 6 LYS C C 6 176.715 176.715 176.875 -0.160 25849 4265 1 14 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.621 0.671 25849 4266 1 14 . 1 1 6 6 LYS CB C 6 32.806 32.806 34.727 -1.921 25849 4267 1 14 . 1 1 7 7 SER N N 7 116.762 116.762 116.263 0.499 25849 4268 1 14 . 1 1 7 7 SER HA H 7 4.344 4.344 4.058 0.286 25849 4269 1 14 . 1 1 7 7 SER C C 7 174.437 174.437 174.147 0.290 25849 4270 1 14 . 1 1 7 7 SER CA C 7 58.373 58.373 60.373 -2.000 25849 4271 1 14 . 1 1 7 7 SER CB C 7 63.557 63.557 62.635 0.922 25849 4272 1 14 . 1 1 8 8 ARG N N 8 123.315 123.315 119.376 3.939 25849 4273 1 14 . 1 1 8 8 ARG HA H 8 4.263 4.263 3.939 0.324 25849 4274 1 14 . 1 1 8 8 ARG C C 8 176.017 176.017 175.262 0.755 25849 4275 1 14 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.803 -0.852 25849 4276 1 14 . 1 1 8 8 ARG CB C 8 30.533 30.533 27.390 3.143 25849 4277 1 14 . 1 1 9 9 ARG N N 9 122.423 122.423 120.045 2.378 25849 4278 1 14 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.473 -0.245 25849 4279 1 14 . 1 1 9 9 ARG C C 9 176.001 176.001 175.356 0.645 25849 4280 1 14 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.297 0.639 25849 4281 1 14 . 1 1 9 9 ARG CB C 9 30.625 30.625 32.001 -1.376 25849 4282 1 14 . 1 1 10 10 ARG N N 10 123.297 123.297 121.166 2.131 25849 4283 1 14 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.018 0.231 25849 4284 1 14 . 1 1 10 10 ARG C C 10 176.008 176.008 175.360 0.648 25849 4285 1 14 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.690 -0.824 25849 4286 1 14 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.671 0.045 25849 4287 1 14 . 1 1 11 11 ARG N N 11 123.308 123.308 119.979 3.329 25849 4288 1 14 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.344 -0.032 25849 4289 1 14 . 1 1 11 11 ARG C C 11 176.115 176.115 176.447 -0.332 25849 4290 1 14 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.404 -0.325 25849 4291 1 14 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.766 0.017 25849 4292 1 14 . 1 1 12 12 THR N N 12 116.294 116.294 117.400 -1.106 25849 4293 1 14 . 1 1 12 12 THR HA H 12 4.193 4.193 4.409 -0.216 25849 4294 1 14 . 1 1 12 12 THR C C 12 173.498 173.498 173.517 -0.019 25849 4295 1 14 . 1 1 12 12 THR CA C 12 61.491 61.491 61.934 -0.443 25849 4296 1 14 . 1 1 12 12 THR CB C 12 69.706 69.706 69.096 0.610 25849 4297 1 14 . 1 1 13 13 ALA N N 13 127.117 127.117 121.308 5.809 25849 4298 1 14 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.182 0.039 25849 4299 1 14 . 1 1 13 13 ALA C C 13 176.874 176.874 176.712 0.162 25849 4300 1 14 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.514 -0.491 25849 4301 1 14 . 1 1 13 13 ALA CB C 13 19.632 19.632 17.864 1.768 25849 4302 1 14 . 1 1 14 14 PHE N N 14 118.798 118.798 118.923 -0.125 25849 4303 1 14 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.017 -0.125 25849 4304 1 14 . 1 1 14 14 PHE C C 14 176.653 176.653 177.340 -0.687 25849 4305 1 14 . 1 1 14 14 PHE CA C 14 56.134 56.134 54.708 1.427 25849 4306 1 14 . 1 1 14 14 PHE CB C 14 40.512 40.512 39.704 0.808 25849 4307 1 14 . 1 1 15 15 THR N N 15 113.522 113.522 116.182 -2.660 25849 4308 1 14 . 1 1 15 15 THR HA H 15 4.426 4.426 4.386 0.040 25849 4309 1 14 . 1 1 15 15 THR C C 15 175.371 175.371 175.791 -0.420 25849 4310 1 14 . 1 1 15 15 THR CA C 15 60.434 60.434 61.365 -0.931 25849 4311 1 14 . 1 1 15 15 THR CB C 15 70.826 70.826 70.187 0.639 25849 4312 1 14 . 1 1 16 16 SER N N 16 116.611 116.611 116.702 -0.091 25849 4313 1 14 . 1 1 16 16 SER HA H 16 3.862 3.862 4.110 -0.248 25849 4314 1 14 . 1 1 16 16 SER C C 16 176.742 176.742 176.938 -0.196 25849 4315 1 14 . 1 1 16 16 SER CA C 16 62.165 62.165 62.062 0.103 25849 4316 1 14 . 1 1 16 16 SER CB C 16 61.908 61.908 62.503 -0.595 25849 4317 1 14 . 1 1 17 17 GLU N N 17 120.901 120.901 120.800 0.101 25849 4318 1 14 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.899 0.044 25849 4319 1 14 . 1 1 17 17 GLU C C 17 178.802 178.802 178.377 0.425 25849 4320 1 14 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.842 0.239 25849 4321 1 14 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.324 -0.218 25849 4322 1 14 . 1 1 18 18 GLN N N 18 118.523 118.523 115.684 2.839 25849 4323 1 14 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.933 -0.187 25849 4324 1 14 . 1 1 18 18 GLN C C 18 177.493 177.493 176.658 0.835 25849 4325 1 14 . 1 1 18 18 GLN CA C 18 58.884 58.884 57.379 1.505 25849 4326 1 14 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.513 -0.455 25849 4327 1 14 . 1 1 19 19 LEU N N 19 117.349 117.349 117.954 -0.605 25849 4328 1 14 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.960 -0.428 25849 4329 1 14 . 1 1 19 19 LEU C C 19 178.289 178.289 178.102 0.187 25849 4330 1 14 . 1 1 19 19 LEU CA C 19 57.719 57.719 55.320 2.399 25849 4331 1 14 . 1 1 19 19 LEU CB C 19 41.990 41.990 42.474 -0.484 25849 4332 1 14 . 1 1 20 20 LEU N N 20 118.800 118.800 121.232 -2.432 25849 4333 1 14 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.854 0.018 25849 4334 1 14 . 1 1 20 20 LEU C C 20 179.808 179.808 178.731 1.077 25849 4335 1 14 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.497 -0.165 25849 4336 1 14 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.873 0.131 25849 4337 1 14 . 1 1 21 21 GLU N N 21 118.036 118.036 117.859 0.177 25849 4338 1 14 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.938 0.099 25849 4339 1 14 . 1 1 21 21 GLU C C 21 175.996 175.996 178.732 -2.736 25849 4340 1 14 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.038 -0.628 25849 4341 1 14 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.975 0.838 25849 4342 1 14 . 1 1 22 22 LEU N N 22 121.854 121.854 118.800 3.054 25849 4343 1 14 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.870 -0.384 25849 4344 1 14 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.924 0.331 25849 4345 1 14 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.117 -2.682 25849 4346 1 14 . 1 1 23 23 ARG N N 23 116.956 116.956 117.796 -0.840 25849 4347 1 14 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.136 -0.211 25849 4348 1 14 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.178 0.970 25849 4349 1 14 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.112 -0.101 25849 4350 1 14 . 1 1 24 24 LYS N N 24 121.392 121.392 119.647 1.745 25849 4351 1 14 . 1 1 24 24 LYS HA H 24 3.981 3.981 3.983 -0.002 25849 4352 1 14 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.822 -0.113 25849 4353 1 14 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.564 -0.122 25849 4354 1 14 . 1 1 25 25 GLU N N 25 119.698 119.698 119.037 0.661 25849 4355 1 14 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.210 0.030 25849 4356 1 14 . 1 1 25 25 GLU C C 25 178.495 178.495 179.006 -0.511 25849 4357 1 14 . 1 1 25 25 GLU CA C 25 58.763 58.763 59.430 -0.667 25849 4358 1 14 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.690 -0.975 25849 4359 1 14 . 1 1 26 26 PHE N N 26 121.062 121.062 119.216 1.846 25849 4360 1 14 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.706 -0.075 25849 4361 1 14 . 1 1 26 26 PHE C C 26 176.071 176.071 176.815 -0.744 25849 4362 1 14 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.948 -1.118 25849 4363 1 14 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.485 0.096 25849 4364 1 14 . 1 1 27 27 HIS N N 27 115.944 115.944 116.358 -0.414 25849 4365 1 14 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.329 -0.295 25849 4366 1 14 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.752 0.479 25849 4367 1 14 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.946 -1.850 25849 4368 1 14 . 1 1 28 28 CYS N N 28 113.854 113.854 117.722 -3.868 25849 4369 1 14 . 1 1 28 28 CYS C C 28 175.913 175.913 175.222 0.691 25849 4370 1 14 . 1 1 28 28 CYS CA C 28 51.047 51.047 61.750 -10.703 25849 4371 1 14 . 1 1 28 28 CYS CB C 28 49.898 49.898 28.227 21.671 25849 4372 1 14 . 1 1 29 29 LYS N N 29 121.350 121.350 115.385 5.965 25849 4373 1 14 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.368 -0.104 25849 4374 1 14 . 1 1 29 29 LYS C C 29 172.365 172.365 174.723 -2.358 25849 4375 1 14 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.393 0.679 25849 4376 1 14 . 1 1 29 29 LYS CB C 29 35.073 35.073 35.035 0.038 25849 4377 1 14 . 1 1 30 30 LYS N N 30 117.744 117.744 117.079 0.665 25849 4378 1 14 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.191 -0.475 25849 4379 1 14 . 1 1 30 30 LYS C C 30 174.932 174.932 174.709 0.223 25849 4380 1 14 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.048 -1.120 25849 4381 1 14 . 1 1 30 30 LYS CB C 30 32.548 32.548 33.452 -0.904 25849 4382 1 14 . 1 1 31 31 TYR N N 31 113.437 113.437 114.041 -0.604 25849 4383 1 14 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.351 0.149 25849 4384 1 14 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.273 1.121 25849 4385 1 14 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.469 1.692 25849 4386 1 14 . 1 1 32 32 LEU N N 32 122.416 122.416 120.989 1.427 25849 4387 1 14 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.680 -0.059 25849 4388 1 14 . 1 1 32 32 LEU C C 32 177.448 177.448 176.624 0.824 25849 4389 1 14 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.173 -0.388 25849 4390 1 14 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.439 1.260 25849 4391 1 14 . 1 1 33 33 SER N N 33 119.021 119.021 115.028 3.993 25849 4392 1 14 . 1 1 33 33 SER HA H 33 4.495 4.495 4.569 -0.074 25849 4393 1 14 . 1 1 33 33 SER C C 33 174.599 174.599 176.106 -1.507 25849 4394 1 14 . 1 1 33 33 SER CA C 33 56.591 56.591 57.391 -0.800 25849 4395 1 14 . 1 1 33 33 SER CB C 33 64.944 64.944 64.808 0.136 25849 4396 1 14 . 1 1 34 34 LEU N N 34 121.555 121.555 124.384 -2.829 25849 4397 1 14 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.072 -0.166 25849 4398 1 14 . 1 1 34 34 LEU C C 34 179.869 179.869 179.271 0.598 25849 4399 1 14 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.775 0.143 25849 4400 1 14 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.409 0.976 25849 4401 1 14 . 1 1 35 35 THR N N 35 113.629 113.629 114.266 -0.637 25849 4402 1 14 . 1 1 35 35 THR HA H 35 3.861 3.861 3.997 -0.136 25849 4403 1 14 . 1 1 35 35 THR C C 35 176.846 176.846 176.813 0.033 25849 4404 1 14 . 1 1 35 35 THR CA C 35 65.790 65.790 66.191 -0.400 25849 4405 1 14 . 1 1 35 35 THR CB C 35 68.421 68.421 68.579 -0.158 25849 4406 1 14 . 1 1 36 36 GLU N N 36 122.918 122.918 121.376 1.542 25849 4407 1 14 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.081 -0.170 25849 4408 1 14 . 1 1 36 36 GLU C C 36 178.858 178.858 178.745 0.113 25849 4409 1 14 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.462 -0.615 25849 4410 1 14 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.245 1.293 25849 4411 1 14 . 1 1 37 37 ARG N N 37 119.042 119.042 119.492 -0.450 25849 4412 1 14 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.110 -0.426 25849 4413 1 14 . 1 1 37 37 ARG C C 37 177.748 177.748 178.806 -1.058 25849 4414 1 14 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.682 1.353 25849 4415 1 14 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.027 0.785 25849 4416 1 14 . 1 1 38 38 SER N N 38 113.447 113.447 114.698 -1.251 25849 4417 1 14 . 1 1 38 38 SER HA H 38 4.004 4.004 4.249 -0.245 25849 4418 1 14 . 1 1 38 38 SER C C 38 176.517 176.517 176.261 0.256 25849 4419 1 14 . 1 1 38 38 SER CA C 38 61.804 61.804 61.644 0.161 25849 4420 1 14 . 1 1 38 38 SER CB C 38 62.810 62.810 62.814 -0.004 25849 4421 1 14 . 1 1 39 39 GLN N N 39 121.739 121.739 120.623 1.116 25849 4422 1 14 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.016 0.031 25849 4423 1 14 . 1 1 39 39 GLN C C 39 178.889 178.889 178.257 0.632 25849 4424 1 14 . 1 1 39 39 GLN CA C 39 59.090 59.090 58.965 0.124 25849 4425 1 14 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.630 -0.315 25849 4426 1 14 . 1 1 40 40 ILE N N 40 121.471 121.471 115.288 6.183 25849 4427 1 14 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.974 -0.137 25849 4428 1 14 . 1 1 40 40 ILE C C 40 176.844 176.844 176.108 0.736 25849 4429 1 14 . 1 1 40 40 ILE CA C 40 64.398 64.398 60.853 3.545 25849 4430 1 14 . 1 1 40 40 ILE CB C 40 38.175 38.175 35.920 2.255 25849 4431 1 14 . 1 1 41 41 ALA N N 41 121.897 121.897 121.415 0.482 25849 4432 1 14 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.208 -0.614 25849 4433 1 14 . 1 1 41 41 ALA C C 41 179.238 179.238 178.649 0.589 25849 4434 1 14 . 1 1 41 41 ALA CA C 41 55.926 55.926 53.674 2.252 25849 4435 1 14 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.880 -2.296 25849 4436 1 14 . 1 1 42 42 HIS N N 42 114.139 114.139 121.151 -7.012 25849 4437 1 14 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.261 0.062 25849 4438 1 14 . 1 1 42 42 HIS C C 42 178.003 178.003 178.056 -0.053 25849 4439 1 14 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.911 -1.166 25849 4440 1 14 . 1 1 42 42 HIS CB C 42 28.762 28.762 30.161 -1.399 25849 4441 1 14 . 1 1 43 43 ALA N N 43 121.931 121.931 122.200 -0.269 25849 4442 1 14 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.226 -0.234 25849 4443 1 14 . 1 1 43 43 ALA C C 43 179.235 179.235 177.933 1.302 25849 4444 1 14 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.536 0.375 25849 4445 1 14 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.730 -0.327 25849 4446 1 14 . 1 1 44 44 LEU N N 44 114.067 114.067 114.226 -0.159 25849 4447 1 14 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.415 -0.176 25849 4448 1 14 . 1 1 44 44 LEU C C 44 175.891 175.891 175.971 -0.080 25849 4449 1 14 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.922 0.313 25849 4450 1 14 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.374 0.206 25849 4451 1 14 . 1 1 45 45 LYS N N 45 116.940 116.940 115.189 1.751 25849 4452 1 14 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.766 0.111 25849 4453 1 14 . 1 1 45 45 LYS C C 45 175.207 175.207 176.265 -1.058 25849 4454 1 14 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.689 -0.435 25849 4455 1 14 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.667 -2.270 25849 4456 1 14 . 1 1 46 46 LEU N N 46 119.505 119.505 118.587 0.918 25849 4457 1 14 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.237 0.470 25849 4458 1 14 . 1 1 46 46 LEU C C 46 175.958 175.958 176.471 -0.513 25849 4459 1 14 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.605 -2.266 25849 4460 1 14 . 1 1 46 46 LEU CB C 46 47.312 47.312 42.969 4.343 25849 4461 1 14 . 1 1 47 47 SER N N 47 114.844 114.844 114.780 0.064 25849 4462 1 14 . 1 1 47 47 SER HA H 47 4.641 4.641 4.546 0.095 25849 4463 1 14 . 1 1 47 47 SER C C 47 175.899 175.899 175.442 0.457 25849 4464 1 14 . 1 1 47 47 SER CA C 47 56.675 56.675 57.258 -0.583 25849 4465 1 14 . 1 1 47 47 SER CB C 47 64.911 64.911 64.409 0.502 25849 4466 1 14 . 1 1 48 48 GLU N N 48 122.920 122.920 124.694 -1.774 25849 4467 1 14 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.012 -0.417 25849 4468 1 14 . 1 1 48 48 GLU C C 48 178.430 178.430 178.516 -0.086 25849 4469 1 14 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.125 0.990 25849 4470 1 14 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.467 -0.457 25849 4471 1 14 . 1 1 49 49 VAL N N 49 118.053 118.053 119.087 -1.034 25849 4472 1 14 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.807 -0.117 25849 4473 1 14 . 1 1 49 49 VAL C C 49 177.001 177.001 178.231 -1.230 25849 4474 1 14 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.165 -0.412 25849 4475 1 14 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.231 0.578 25849 4476 1 14 . 1 1 50 50 GLN N N 50 119.121 119.121 118.965 0.156 25849 4477 1 14 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.187 -0.113 25849 4478 1 14 . 1 1 50 50 GLN C C 50 179.480 179.480 179.044 0.436 25849 4479 1 14 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.091 0.163 25849 4480 1 14 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.264 1.393 25849 4481 1 14 . 1 1 51 51 VAL N N 51 118.983 118.983 120.678 -1.695 25849 4482 1 14 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.942 -0.298 25849 4483 1 14 . 1 1 51 51 VAL C C 51 176.652 176.652 178.138 -1.486 25849 4484 1 14 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.667 -0.246 25849 4485 1 14 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.447 0.713 25849 4486 1 14 . 1 1 52 52 LYS N N 52 120.962 120.962 120.478 0.484 25849 4487 1 14 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.202 -0.035 25849 4488 1 14 . 1 1 52 52 LYS C C 52 179.592 179.592 179.197 0.395 25849 4489 1 14 . 1 1 52 52 LYS CA C 52 59.948 59.948 60.155 -0.207 25849 4490 1 14 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.394 0.897 25849 4491 1 14 . 1 1 53 53 ILE N N 53 120.085 120.085 119.554 0.531 25849 4492 1 14 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.832 -0.097 25849 4493 1 14 . 1 1 53 53 ILE C C 53 177.452 177.452 177.817 -0.365 25849 4494 1 14 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.911 -0.685 25849 4495 1 14 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.892 0.135 25849 4496 1 14 . 1 1 54 54 TRP N N 54 122.169 122.169 122.527 -0.358 25849 4497 1 14 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.100 -0.113 25849 4498 1 14 . 1 1 54 54 TRP C C 54 179.143 179.143 177.891 1.252 25849 4499 1 14 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.183 1.409 25849 4500 1 14 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.548 -0.608 25849 4501 1 14 . 1 1 55 55 PHE N N 55 118.530 118.530 117.832 0.698 25849 4502 1 14 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.289 -0.635 25849 4503 1 14 . 1 1 55 55 PHE C C 55 177.833 177.833 178.365 -0.532 25849 4504 1 14 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.180 0.022 25849 4505 1 14 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.121 0.418 25849 4506 1 14 . 1 1 56 56 GLN N N 56 118.313 118.313 116.916 1.397 25849 4507 1 14 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.186 -0.297 25849 4508 1 14 . 1 1 56 56 GLN C C 56 179.052 179.052 177.223 1.829 25849 4509 1 14 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.861 0.624 25849 4510 1 14 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.393 0.176 25849 4511 1 14 . 1 1 57 57 ASN N N 57 119.607 119.607 117.371 2.236 25849 4512 1 14 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.591 -0.310 25849 4513 1 14 . 1 1 57 57 ASN C C 57 177.385 177.385 177.104 0.281 25849 4514 1 14 . 1 1 57 57 ASN CA C 57 55.392 55.392 55.487 -0.095 25849 4515 1 14 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.750 -0.917 25849 4516 1 14 . 1 1 58 58 GLU N N 58 124.516 124.516 121.606 2.910 25849 4517 1 14 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.739 -0.378 25849 4518 1 14 . 1 1 58 58 GLU C C 58 179.522 179.522 178.290 1.232 25849 4519 1 14 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.399 -0.112 25849 4520 1 14 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.811 -1.280 25849 4521 1 14 . 1 1 59 59 ARG N N 59 118.692 118.692 117.869 0.823 25849 4522 1 14 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.570 -0.430 25849 4523 1 14 . 1 1 59 59 ARG C C 59 178.813 178.813 177.539 1.274 25849 4524 1 14 . 1 1 59 59 ARG CA C 59 60.913 60.913 58.869 2.044 25849 4525 1 14 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.238 1.453 25849 4526 1 14 . 1 1 60 60 ALA N N 60 120.662 120.662 121.349 -0.687 25849 4527 1 14 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.438 -0.355 25849 4528 1 14 . 1 1 60 60 ALA C C 60 179.753 179.753 178.852 0.901 25849 4529 1 14 . 1 1 60 60 ALA CA C 60 54.800 54.800 53.450 1.350 25849 4530 1 14 . 1 1 60 60 ALA CB C 60 17.898 17.898 19.598 -1.700 25849 4531 1 14 . 1 1 61 61 LYS N N 61 118.620 118.620 119.850 -1.230 25849 4532 1 14 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.003 -0.162 25849 4533 1 14 . 1 1 61 61 LYS C C 61 177.994 177.994 178.394 -0.400 25849 4534 1 14 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.592 0.180 25849 4535 1 14 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.086 0.409 25849 4536 1 14 . 1 1 62 62 TRP N N 62 120.517 120.517 121.608 -1.091 25849 4537 1 14 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.488 -0.161 25849 4538 1 14 . 1 1 62 62 TRP C C 62 177.118 177.118 178.227 -1.109 25849 4539 1 14 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.088 -0.752 25849 4540 1 14 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.261 -1.142 25849 4541 1 14 . 1 1 63 63 LYS N N 63 119.074 119.074 119.080 -0.006 25849 4542 1 14 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.128 -0.333 25849 4543 1 14 . 1 1 63 63 LYS C C 63 177.429 177.429 178.621 -1.192 25849 4544 1 14 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.819 -1.730 25849 4545 1 14 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.179 0.566 25849 4546 1 14 . 1 1 64 64 ARG N N 64 118.825 118.825 116.919 1.906 25849 4547 1 14 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.117 -0.033 25849 4548 1 14 . 1 1 64 64 ARG C C 64 177.231 177.231 177.416 -0.185 25849 4549 1 14 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.358 -0.888 25849 4550 1 14 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.303 0.975 25849 4551 1 14 . 1 1 65 65 ILE N N 65 120.523 120.523 118.645 1.878 25849 4552 1 14 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.672 0.201 25849 4553 1 14 . 1 1 65 65 ILE C C 65 177.198 177.198 177.005 0.193 25849 4554 1 14 . 1 1 65 65 ILE CA C 65 62.392 62.392 61.995 0.397 25849 4555 1 14 . 1 1 65 65 ILE CB C 65 38.398 38.398 36.553 1.845 25849 4556 1 14 . 1 1 66 66 LYS N N 66 123.201 123.201 120.925 2.276 25849 4557 1 14 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.138 -0.065 25849 4558 1 14 . 1 1 66 66 LYS C C 66 176.387 176.387 176.594 -0.207 25849 4559 1 14 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.391 0.234 25849 4560 1 14 . 1 1 66 66 LYS CB C 66 32.364 32.364 31.107 1.257 25849 4561 1 14 . 1 1 67 67 ALA N N 67 123.500 123.500 126.807 -3.307 25849 4562 1 14 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.106 0.096 25849 4563 1 14 . 1 1 67 67 ALA C C 67 177.870 177.870 177.978 -0.108 25849 4564 1 14 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.270 -1.687 25849 4565 1 14 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.191 -0.105 25849 4566 1 14 . 1 1 68 68 GLY N N 68 107.120 107.120 104.851 2.269 25849 4567 1 14 . 1 1 68 68 GLY C C 68 173.688 173.688 174.211 -0.523 25849 4568 1 14 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.134 0.214 25849 4569 1 14 . 1 1 69 69 ASN N N 69 118.671 118.671 117.534 1.137 25849 4570 1 14 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.976 -0.293 25849 4571 1 14 . 1 1 69 69 ASN C C 69 174.792 174.792 175.933 -1.141 25849 4572 1 14 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.766 0.243 25849 4573 1 14 . 1 1 69 69 ASN CB C 69 39.064 39.064 38.767 0.297 25849 4574 1 14 . 1 1 70 70 VAL N N 70 119.480 119.480 119.028 0.452 25849 4575 1 14 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.000 0.130 25849 4576 1 14 . 1 1 70 70 VAL C C 70 175.126 175.126 175.557 -0.431 25849 4577 1 14 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.898 -1.808 25849 4578 1 14 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.188 0.675 25849 4579 1 15 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.293 0.072 25849 4580 1 15 . 1 1 3 3 PRO C C 3 177.410 177.410 177.700 -0.290 25849 4581 1 15 . 1 1 3 3 PRO CA C 3 63.261 63.261 63.580 -0.319 25849 4582 1 15 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.328 -0.546 25849 4583 1 15 . 1 1 4 4 GLY N N 4 109.481 109.481 106.368 3.113 25849 4584 1 15 . 1 1 4 4 GLY C C 4 173.688 173.688 173.651 0.037 25849 4585 1 15 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.836 0.240 25849 4586 1 15 . 1 1 5 5 GLY N N 5 108.665 108.665 110.492 -1.827 25849 4587 1 15 . 1 1 5 5 GLY C C 5 174.231 174.231 174.108 0.123 25849 4588 1 15 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.074 0.308 25849 4589 1 15 . 1 1 6 6 LYS N N 6 120.860 120.860 122.900 -2.040 25849 4590 1 15 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.654 -0.398 25849 4591 1 15 . 1 1 6 6 LYS C C 6 176.715 176.715 175.483 1.232 25849 4592 1 15 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.177 0.115 25849 4593 1 15 . 1 1 6 6 LYS CB C 6 32.806 32.806 31.834 0.972 25849 4594 1 15 . 1 1 7 7 SER N N 7 116.762 116.762 116.909 -0.147 25849 4595 1 15 . 1 1 7 7 SER HA H 7 4.344 4.344 4.901 -0.557 25849 4596 1 15 . 1 1 7 7 SER C C 7 174.437 174.437 174.056 0.381 25849 4597 1 15 . 1 1 7 7 SER CA C 7 58.373 58.373 57.677 0.696 25849 4598 1 15 . 1 1 7 7 SER CB C 7 63.557 63.557 64.454 -0.897 25849 4599 1 15 . 1 1 8 8 ARG N N 8 123.315 123.315 123.161 0.154 25849 4600 1 15 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.211 0.052 25849 4601 1 15 . 1 1 8 8 ARG C C 8 176.017 176.017 176.352 -0.335 25849 4602 1 15 . 1 1 8 8 ARG CA C 8 55.951 55.951 57.243 -1.292 25849 4603 1 15 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.720 -0.186 25849 4604 1 15 . 1 1 9 9 ARG N N 9 122.423 122.423 121.363 1.060 25849 4605 1 15 . 1 1 9 9 ARG HA H 9 4.228 4.228 3.887 0.341 25849 4606 1 15 . 1 1 9 9 ARG C C 9 176.001 176.001 174.878 1.123 25849 4607 1 15 . 1 1 9 9 ARG CA C 9 55.936 55.936 57.382 -1.446 25849 4608 1 15 . 1 1 9 9 ARG CB C 9 30.625 30.625 30.730 -0.105 25849 4609 1 15 . 1 1 10 10 ARG N N 10 123.297 123.297 120.747 2.550 25849 4610 1 15 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.131 0.118 25849 4611 1 15 . 1 1 10 10 ARG C C 10 176.008 176.008 175.259 0.749 25849 4612 1 15 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.996 -1.130 25849 4613 1 15 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.549 1.167 25849 4614 1 15 . 1 1 11 11 ARG N N 11 123.308 123.308 121.942 1.366 25849 4615 1 15 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.211 0.101 25849 4616 1 15 . 1 1 11 11 ARG C C 11 176.115 176.115 176.117 -0.002 25849 4617 1 15 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.946 0.133 25849 4618 1 15 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.671 0.112 25849 4619 1 15 . 1 1 12 12 THR N N 12 116.294 116.294 114.572 1.722 25849 4620 1 15 . 1 1 12 12 THR HA H 12 4.193 4.193 4.531 -0.338 25849 4621 1 15 . 1 1 12 12 THR C C 12 173.498 173.498 173.541 -0.043 25849 4622 1 15 . 1 1 12 12 THR CA C 12 61.491 61.491 61.656 -0.165 25849 4623 1 15 . 1 1 12 12 THR CB C 12 69.706 69.706 71.109 -1.403 25849 4624 1 15 . 1 1 13 13 ALA N N 13 127.117 127.117 126.437 0.680 25849 4625 1 15 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.558 -0.337 25849 4626 1 15 . 1 1 13 13 ALA C C 13 176.874 176.874 176.443 0.431 25849 4627 1 15 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.695 -0.672 25849 4628 1 15 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.463 1.169 25849 4629 1 15 . 1 1 14 14 PHE N N 14 118.798 118.798 125.030 -6.232 25849 4630 1 15 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.218 -0.326 25849 4631 1 15 . 1 1 14 14 PHE C C 14 176.653 176.653 176.371 0.282 25849 4632 1 15 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.955 0.179 25849 4633 1 15 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.440 -1.928 25849 4634 1 15 . 1 1 15 15 THR N N 15 113.522 113.522 115.204 -1.682 25849 4635 1 15 . 1 1 15 15 THR HA H 15 4.426 4.426 4.651 -0.225 25849 4636 1 15 . 1 1 15 15 THR C C 15 175.371 175.371 175.906 -0.535 25849 4637 1 15 . 1 1 15 15 THR CA C 15 60.434 60.434 60.468 -0.034 25849 4638 1 15 . 1 1 15 15 THR CB C 15 70.826 70.826 70.375 0.451 25849 4639 1 15 . 1 1 16 16 SER N N 16 116.611 116.611 117.811 -1.200 25849 4640 1 15 . 1 1 16 16 SER HA H 16 3.862 3.862 4.194 -0.332 25849 4641 1 15 . 1 1 16 16 SER C C 16 176.742 176.742 175.735 1.007 25849 4642 1 15 . 1 1 16 16 SER CA C 16 62.165 62.165 61.228 0.937 25849 4643 1 15 . 1 1 16 16 SER CB C 16 61.908 61.908 62.653 -0.745 25849 4644 1 15 . 1 1 17 17 GLU N N 17 120.901 120.901 121.466 -0.565 25849 4645 1 15 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.044 -0.101 25849 4646 1 15 . 1 1 17 17 GLU C C 17 178.802 178.802 178.560 0.242 25849 4647 1 15 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.174 0.907 25849 4648 1 15 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.288 -0.182 25849 4649 1 15 . 1 1 18 18 GLN N N 18 118.523 118.523 118.633 -0.110 25849 4650 1 15 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.924 -0.178 25849 4651 1 15 . 1 1 18 18 GLN C C 18 177.493 177.493 178.339 -0.846 25849 4652 1 15 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.584 0.300 25849 4653 1 15 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.641 -0.583 25849 4654 1 15 . 1 1 19 19 LEU N N 19 117.349 117.349 118.877 -1.528 25849 4655 1 15 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.629 -0.097 25849 4656 1 15 . 1 1 19 19 LEU C C 19 178.289 178.289 178.288 0.001 25849 4657 1 15 . 1 1 19 19 LEU CA C 19 57.719 57.719 57.207 0.512 25849 4658 1 15 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.611 0.379 25849 4659 1 15 . 1 1 20 20 LEU N N 20 118.800 118.800 120.814 -2.014 25849 4660 1 15 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.948 -0.076 25849 4661 1 15 . 1 1 20 20 LEU C C 20 179.808 179.808 178.412 1.396 25849 4662 1 15 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.969 0.363 25849 4663 1 15 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.770 0.234 25849 4664 1 15 . 1 1 21 21 GLU N N 21 118.036 118.036 117.890 0.146 25849 4665 1 15 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.004 0.033 25849 4666 1 15 . 1 1 21 21 GLU C C 21 175.996 175.996 179.367 -3.371 25849 4667 1 15 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.727 -0.318 25849 4668 1 15 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.876 0.937 25849 4669 1 15 . 1 1 22 22 LEU N N 22 121.854 121.854 119.469 2.385 25849 4670 1 15 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.924 -0.438 25849 4671 1 15 . 1 1 22 22 LEU CA C 22 58.255 58.255 56.926 1.329 25849 4672 1 15 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.010 -2.575 25849 4673 1 15 . 1 1 23 23 ARG N N 23 116.956 116.956 118.970 -2.014 25849 4674 1 15 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.156 -0.231 25849 4675 1 15 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.214 0.934 25849 4676 1 15 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.102 -0.091 25849 4677 1 15 . 1 1 24 24 LYS N N 24 121.392 121.392 119.060 2.332 25849 4678 1 15 . 1 1 24 24 LYS HA H 24 3.981 3.981 3.590 0.391 25849 4679 1 15 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.485 1.224 25849 4680 1 15 . 1 1 24 24 LYS CB C 24 32.442 32.442 31.991 0.451 25849 4681 1 15 . 1 1 25 25 GLU N N 25 119.698 119.698 116.356 3.342 25849 4682 1 15 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.188 0.052 25849 4683 1 15 . 1 1 25 25 GLU C C 25 178.495 178.495 178.874 -0.379 25849 4684 1 15 . 1 1 25 25 GLU CA C 25 58.763 58.763 57.835 0.928 25849 4685 1 15 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.931 -1.216 25849 4686 1 15 . 1 1 26 26 PHE N N 26 121.062 121.062 121.243 -0.181 25849 4687 1 15 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.117 0.514 25849 4688 1 15 . 1 1 26 26 PHE C C 26 176.071 176.071 176.292 -0.221 25849 4689 1 15 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.982 -1.152 25849 4690 1 15 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.249 0.332 25849 4691 1 15 . 1 1 27 27 HIS N N 27 115.944 115.944 113.085 2.859 25849 4692 1 15 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.531 -0.497 25849 4693 1 15 . 1 1 27 27 HIS CA C 27 58.231 58.231 55.734 2.497 25849 4694 1 15 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.348 -0.252 25849 4695 1 15 . 1 1 28 28 CYS N N 28 113.854 113.854 119.835 -5.981 25849 4696 1 15 . 1 1 28 28 CYS C C 28 175.913 175.913 174.315 1.598 25849 4697 1 15 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.206 -8.159 25849 4698 1 15 . 1 1 28 28 CYS CB C 28 49.898 49.898 29.969 19.929 25849 4699 1 15 . 1 1 29 29 LYS N N 29 121.350 121.350 120.724 0.626 25849 4700 1 15 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.294 -0.030 25849 4701 1 15 . 1 1 29 29 LYS C C 29 172.365 172.365 176.961 -4.596 25849 4702 1 15 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.764 0.308 25849 4703 1 15 . 1 1 29 29 LYS CB C 29 35.073 35.073 32.801 2.272 25849 4704 1 15 . 1 1 30 30 LYS N N 30 117.744 117.744 121.297 -3.553 25849 4705 1 15 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.902 -0.186 25849 4706 1 15 . 1 1 30 30 LYS C C 30 174.932 174.932 175.807 -0.875 25849 4707 1 15 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.902 -1.974 25849 4708 1 15 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.360 0.188 25849 4709 1 15 . 1 1 31 31 TYR N N 31 113.437 113.437 114.538 -1.101 25849 4710 1 15 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.807 -0.307 25849 4711 1 15 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.254 0.140 25849 4712 1 15 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.420 1.740 25849 4713 1 15 . 1 1 32 32 LEU N N 32 122.416 122.416 123.107 -0.691 25849 4714 1 15 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.420 0.201 25849 4715 1 15 . 1 1 32 32 LEU C C 32 177.448 177.448 176.326 1.122 25849 4716 1 15 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.983 -1.198 25849 4717 1 15 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.449 2.250 25849 4718 1 15 . 1 1 33 33 SER N N 33 119.021 119.021 114.712 4.309 25849 4719 1 15 . 1 1 33 33 SER HA H 33 4.495 4.495 4.669 -0.174 25849 4720 1 15 . 1 1 33 33 SER C C 33 174.599 174.599 175.203 -0.604 25849 4721 1 15 . 1 1 33 33 SER CA C 33 56.591 56.591 57.380 -0.789 25849 4722 1 15 . 1 1 33 33 SER CB C 33 64.944 64.944 65.439 -0.495 25849 4723 1 15 . 1 1 34 34 LEU N N 34 121.555 121.555 123.667 -2.112 25849 4724 1 15 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.154 -0.248 25849 4725 1 15 . 1 1 34 34 LEU C C 34 179.869 179.869 178.979 0.890 25849 4726 1 15 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.390 0.528 25849 4727 1 15 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.486 0.899 25849 4728 1 15 . 1 1 35 35 THR N N 35 113.629 113.629 114.448 -0.819 25849 4729 1 15 . 1 1 35 35 THR HA H 35 3.861 3.861 3.968 -0.107 25849 4730 1 15 . 1 1 35 35 THR C C 35 176.846 176.846 176.438 0.408 25849 4731 1 15 . 1 1 35 35 THR CA C 35 65.790 65.790 66.213 -0.423 25849 4732 1 15 . 1 1 35 35 THR CB C 35 68.421 68.421 67.829 0.591 25849 4733 1 15 . 1 1 36 36 GLU N N 36 122.918 122.918 120.856 2.062 25849 4734 1 15 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.018 -0.107 25849 4735 1 15 . 1 1 36 36 GLU C C 36 178.858 178.858 179.128 -0.270 25849 4736 1 15 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.618 -0.771 25849 4737 1 15 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.932 1.606 25849 4738 1 15 . 1 1 37 37 ARG N N 37 119.042 119.042 118.858 0.184 25849 4739 1 15 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.000 -0.316 25849 4740 1 15 . 1 1 37 37 ARG C C 37 177.748 177.748 178.676 -0.928 25849 4741 1 15 . 1 1 37 37 ARG CA C 37 60.036 60.036 58.969 1.067 25849 4742 1 15 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.043 0.769 25849 4743 1 15 . 1 1 38 38 SER N N 38 113.447 113.447 114.881 -1.434 25849 4744 1 15 . 1 1 38 38 SER HA H 38 4.004 4.004 4.113 -0.109 25849 4745 1 15 . 1 1 38 38 SER C C 38 176.517 176.517 176.646 -0.129 25849 4746 1 15 . 1 1 38 38 SER CA C 38 61.804 61.804 61.227 0.577 25849 4747 1 15 . 1 1 38 38 SER CB C 38 62.810 62.810 62.616 0.194 25849 4748 1 15 . 1 1 39 39 GLN N N 39 121.739 121.739 121.116 0.623 25849 4749 1 15 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.028 0.019 25849 4750 1 15 . 1 1 39 39 GLN C C 39 178.889 178.889 178.563 0.326 25849 4751 1 15 . 1 1 39 39 GLN CA C 39 59.090 59.090 58.990 0.100 25849 4752 1 15 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.782 -0.467 25849 4753 1 15 . 1 1 40 40 ILE N N 40 121.471 121.471 117.587 3.884 25849 4754 1 15 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.892 -0.055 25849 4755 1 15 . 1 1 40 40 ILE C C 40 176.844 176.844 177.478 -0.634 25849 4756 1 15 . 1 1 40 40 ILE CA C 40 64.398 64.398 62.210 2.188 25849 4757 1 15 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.345 1.830 25849 4758 1 15 . 1 1 41 41 ALA N N 41 121.897 121.897 122.050 -0.153 25849 4759 1 15 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.082 -0.488 25849 4760 1 15 . 1 1 41 41 ALA C C 41 179.238 179.238 178.621 0.617 25849 4761 1 15 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.665 1.261 25849 4762 1 15 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.027 -1.443 25849 4763 1 15 . 1 1 42 42 HIS N N 42 114.139 114.139 120.700 -6.561 25849 4764 1 15 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.211 0.112 25849 4765 1 15 . 1 1 42 42 HIS C C 42 178.003 178.003 177.910 0.093 25849 4766 1 15 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.736 -0.991 25849 4767 1 15 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.820 -1.058 25849 4768 1 15 . 1 1 43 43 ALA N N 43 121.931 121.931 121.677 0.254 25849 4769 1 15 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.132 -0.140 25849 4770 1 15 . 1 1 43 43 ALA C C 43 179.235 179.235 177.896 1.339 25849 4771 1 15 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.612 0.298 25849 4772 1 15 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.729 -0.326 25849 4773 1 15 . 1 1 44 44 LEU N N 44 114.067 114.067 115.515 -1.448 25849 4774 1 15 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.435 -0.196 25849 4775 1 15 . 1 1 44 44 LEU C C 44 175.891 175.891 176.135 -0.244 25849 4776 1 15 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.976 0.260 25849 4777 1 15 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.789 -0.209 25849 4778 1 15 . 1 1 45 45 LYS N N 45 116.940 116.940 116.541 0.399 25849 4779 1 15 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.850 0.027 25849 4780 1 15 . 1 1 45 45 LYS C C 45 175.207 175.207 175.839 -0.632 25849 4781 1 15 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.348 -0.094 25849 4782 1 15 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.029 -2.632 25849 4783 1 15 . 1 1 46 46 LEU N N 46 119.505 119.505 118.606 0.899 25849 4784 1 15 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.397 0.310 25849 4785 1 15 . 1 1 46 46 LEU C C 46 175.958 175.958 175.936 0.022 25849 4786 1 15 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.675 -1.336 25849 4787 1 15 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.449 3.863 25849 4788 1 15 . 1 1 47 47 SER N N 47 114.844 114.844 114.770 0.074 25849 4789 1 15 . 1 1 47 47 SER HA H 47 4.641 4.641 4.572 0.069 25849 4790 1 15 . 1 1 47 47 SER C C 47 175.899 175.899 175.460 0.439 25849 4791 1 15 . 1 1 47 47 SER CA C 47 56.675 56.675 57.053 -0.378 25849 4792 1 15 . 1 1 47 47 SER CB C 47 64.911 64.911 64.465 0.446 25849 4793 1 15 . 1 1 48 48 GLU N N 48 122.920 122.920 124.579 -1.659 25849 4794 1 15 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.026 -0.431 25849 4795 1 15 . 1 1 48 48 GLU C C 48 178.430 178.430 178.345 0.085 25849 4796 1 15 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.977 1.138 25849 4797 1 15 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.316 -0.305 25849 4798 1 15 . 1 1 49 49 VAL N N 49 118.053 118.053 118.766 -0.713 25849 4799 1 15 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.799 -0.109 25849 4800 1 15 . 1 1 49 49 VAL C C 49 177.001 177.001 178.026 -1.025 25849 4801 1 15 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.962 -0.209 25849 4802 1 15 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.234 0.575 25849 4803 1 15 . 1 1 50 50 GLN N N 50 119.121 119.121 118.848 0.273 25849 4804 1 15 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.187 -0.113 25849 4805 1 15 . 1 1 50 50 GLN C C 50 179.480 179.480 178.778 0.702 25849 4806 1 15 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.103 0.151 25849 4807 1 15 . 1 1 50 50 GLN CB C 50 29.657 29.657 29.029 0.628 25849 4808 1 15 . 1 1 51 51 VAL N N 51 118.983 118.983 120.219 -1.236 25849 4809 1 15 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.037 -0.393 25849 4810 1 15 . 1 1 51 51 VAL C C 51 176.652 176.652 177.733 -1.081 25849 4811 1 15 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.400 0.021 25849 4812 1 15 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.466 0.694 25849 4813 1 15 . 1 1 52 52 LYS N N 52 120.962 120.962 119.885 1.077 25849 4814 1 15 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.064 0.103 25849 4815 1 15 . 1 1 52 52 LYS C C 52 179.592 179.592 179.084 0.508 25849 4816 1 15 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.613 0.335 25849 4817 1 15 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.010 1.282 25849 4818 1 15 . 1 1 53 53 ILE N N 53 120.085 120.085 119.651 0.434 25849 4819 1 15 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.954 -0.219 25849 4820 1 15 . 1 1 53 53 ILE C C 53 177.452 177.452 177.590 -0.138 25849 4821 1 15 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.028 0.198 25849 4822 1 15 . 1 1 53 53 ILE CB C 53 38.026 38.026 38.072 -0.046 25849 4823 1 15 . 1 1 54 54 TRP N N 54 122.169 122.169 122.263 -0.094 25849 4824 1 15 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.042 -0.055 25849 4825 1 15 . 1 1 54 54 TRP C C 54 179.143 179.143 178.205 0.938 25849 4826 1 15 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.962 1.629 25849 4827 1 15 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.607 -0.667 25849 4828 1 15 . 1 1 55 55 PHE N N 55 118.530 118.530 117.719 0.811 25849 4829 1 15 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.239 -0.585 25849 4830 1 15 . 1 1 55 55 PHE C C 55 177.833 177.833 177.987 -0.154 25849 4831 1 15 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.365 -0.163 25849 4832 1 15 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.822 0.717 25849 4833 1 15 . 1 1 56 56 GLN N N 56 118.313 118.313 117.851 0.462 25849 4834 1 15 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.990 -0.101 25849 4835 1 15 . 1 1 56 56 GLN C C 56 179.052 179.052 178.415 0.637 25849 4836 1 15 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.203 0.282 25849 4837 1 15 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.061 0.508 25849 4838 1 15 . 1 1 57 57 ASN N N 57 119.607 119.607 118.620 0.987 25849 4839 1 15 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.354 -0.073 25849 4840 1 15 . 1 1 57 57 ASN C C 57 177.385 177.385 177.554 -0.169 25849 4841 1 15 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.519 -1.127 25849 4842 1 15 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.149 -0.316 25849 4843 1 15 . 1 1 58 58 GLU N N 58 124.516 124.516 121.130 3.386 25849 4844 1 15 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.862 -0.501 25849 4845 1 15 . 1 1 58 58 GLU C C 58 179.522 179.522 178.680 0.842 25849 4846 1 15 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.588 -0.301 25849 4847 1 15 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.008 -1.476 25849 4848 1 15 . 1 1 59 59 ARG N N 59 118.692 118.692 120.210 -1.518 25849 4849 1 15 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.312 -0.172 25849 4850 1 15 . 1 1 59 59 ARG C C 59 178.813 178.813 178.978 -0.165 25849 4851 1 15 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.897 1.016 25849 4852 1 15 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.304 1.387 25849 4853 1 15 . 1 1 60 60 ALA N N 60 120.662 120.662 120.727 -0.065 25849 4854 1 15 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.220 -0.137 25849 4855 1 15 . 1 1 60 60 ALA C C 60 179.753 179.753 178.488 1.265 25849 4856 1 15 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.911 -0.112 25849 4857 1 15 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.398 -0.500 25849 4858 1 15 . 1 1 61 61 LYS N N 61 118.620 118.620 118.040 0.580 25849 4859 1 15 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.045 -0.204 25849 4860 1 15 . 1 1 61 61 LYS C C 61 177.994 177.994 179.114 -1.120 25849 4861 1 15 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.629 0.143 25849 4862 1 15 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.255 0.240 25849 4863 1 15 . 1 1 62 62 TRP N N 62 120.517 120.517 122.959 -2.442 25849 4864 1 15 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.303 0.024 25849 4865 1 15 . 1 1 62 62 TRP C C 62 177.118 177.118 177.735 -0.617 25849 4866 1 15 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.495 -2.159 25849 4867 1 15 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.022 -0.903 25849 4868 1 15 . 1 1 63 63 LYS N N 63 119.074 119.074 118.092 0.982 25849 4869 1 15 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.248 -0.453 25849 4870 1 15 . 1 1 63 63 LYS C C 63 177.429 177.429 177.674 -0.245 25849 4871 1 15 . 1 1 63 63 LYS CA C 63 58.089 58.089 58.371 -0.282 25849 4872 1 15 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.274 0.471 25849 4873 1 15 . 1 1 64 64 ARG N N 64 118.825 118.825 118.903 -0.078 25849 4874 1 15 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.218 -0.134 25849 4875 1 15 . 1 1 64 64 ARG C C 64 177.231 177.231 177.295 -0.064 25849 4876 1 15 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.205 -0.735 25849 4877 1 15 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.498 -0.220 25849 4878 1 15 . 1 1 65 65 ILE N N 65 120.523 120.523 119.492 1.031 25849 4879 1 15 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.997 -0.124 25849 4880 1 15 . 1 1 65 65 ILE C C 65 177.198 177.198 176.680 0.518 25849 4881 1 15 . 1 1 65 65 ILE CA C 65 62.392 62.392 61.645 0.747 25849 4882 1 15 . 1 1 65 65 ILE CB C 65 38.398 38.398 38.295 0.103 25849 4883 1 15 . 1 1 66 66 LYS N N 66 123.201 123.201 118.795 4.406 25849 4884 1 15 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.214 -0.141 25849 4885 1 15 . 1 1 66 66 LYS C C 66 176.387 176.387 176.824 -0.437 25849 4886 1 15 . 1 1 66 66 LYS CA C 66 56.625 56.625 57.529 -0.904 25849 4887 1 15 . 1 1 66 66 LYS CB C 66 32.364 32.364 31.164 1.200 25849 4888 1 15 . 1 1 67 67 ALA N N 67 123.500 123.500 120.183 3.317 25849 4889 1 15 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.172 0.030 25849 4890 1 15 . 1 1 67 67 ALA C C 67 177.870 177.870 177.530 0.340 25849 4891 1 15 . 1 1 67 67 ALA CA C 67 52.583 52.583 53.353 -0.770 25849 4892 1 15 . 1 1 67 67 ALA CB C 67 19.086 19.086 18.874 0.212 25849 4893 1 15 . 1 1 68 68 GLY N N 68 107.120 107.120 106.715 0.405 25849 4894 1 15 . 1 1 68 68 GLY C C 68 173.688 173.688 174.606 -0.918 25849 4895 1 15 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.932 0.416 25849 4896 1 15 . 1 1 69 69 ASN N N 69 118.671 118.671 117.011 1.660 25849 4897 1 15 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.406 0.277 25849 4898 1 15 . 1 1 69 69 ASN C C 69 174.792 174.792 175.112 -0.320 25849 4899 1 15 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.342 -0.333 25849 4900 1 15 . 1 1 69 69 ASN CB C 69 39.064 39.064 37.787 1.277 25849 4901 1 15 . 1 1 70 70 VAL N N 70 119.480 119.480 119.507 -0.027 25849 4902 1 15 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.194 -0.064 25849 4903 1 15 . 1 1 70 70 VAL C C 70 175.126 175.126 176.595 -1.469 25849 4904 1 15 . 1 1 70 70 VAL CA C 70 62.091 62.091 62.767 -0.676 25849 4905 1 15 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.090 0.773 25849 4906 1 16 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.417 -0.052 25849 4907 1 16 . 1 1 3 3 PRO C C 3 177.410 177.410 176.814 0.596 25849 4908 1 16 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.843 0.418 25849 4909 1 16 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.536 -0.754 25849 4910 1 16 . 1 1 4 4 GLY N N 4 109.481 109.481 108.686 0.795 25849 4911 1 16 . 1 1 4 4 GLY C C 4 173.688 173.688 174.746 -1.058 25849 4912 1 16 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.575 -0.500 25849 4913 1 16 . 1 1 5 5 GLY N N 5 108.665 108.665 111.403 -2.738 25849 4914 1 16 . 1 1 5 5 GLY C C 5 174.231 174.231 175.228 -0.997 25849 4915 1 16 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.434 -0.052 25849 4916 1 16 . 1 1 6 6 LYS N N 6 120.860 120.860 123.571 -2.711 25849 4917 1 16 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.116 0.140 25849 4918 1 16 . 1 1 6 6 LYS C C 6 176.715 176.715 175.525 1.190 25849 4919 1 16 . 1 1 6 6 LYS CA C 6 56.292 56.292 57.127 -0.835 25849 4920 1 16 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.670 0.136 25849 4921 1 16 . 1 1 7 7 SER N N 7 116.762 116.762 117.435 -0.673 25849 4922 1 16 . 1 1 7 7 SER HA H 7 4.344 4.344 4.598 -0.254 25849 4923 1 16 . 1 1 7 7 SER C C 7 174.437 174.437 173.043 1.394 25849 4924 1 16 . 1 1 7 7 SER CA C 7 58.373 58.373 58.150 0.223 25849 4925 1 16 . 1 1 7 7 SER CB C 7 63.557 63.557 64.937 -1.380 25849 4926 1 16 . 1 1 8 8 ARG N N 8 123.315 123.315 122.621 0.694 25849 4927 1 16 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.654 -0.391 25849 4928 1 16 . 1 1 8 8 ARG C C 8 176.017 176.017 174.943 1.074 25849 4929 1 16 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.140 -0.189 25849 4930 1 16 . 1 1 8 8 ARG CB C 8 30.533 30.533 32.241 -1.708 25849 4931 1 16 . 1 1 9 9 ARG N N 9 122.423 122.423 122.081 0.342 25849 4932 1 16 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.550 -0.322 25849 4933 1 16 . 1 1 9 9 ARG C C 9 176.001 176.001 174.578 1.423 25849 4934 1 16 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.053 0.883 25849 4935 1 16 . 1 1 9 9 ARG CB C 9 30.625 30.625 33.537 -2.912 25849 4936 1 16 . 1 1 10 10 ARG N N 10 123.297 123.297 122.361 0.936 25849 4937 1 16 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.462 -0.213 25849 4938 1 16 . 1 1 10 10 ARG C C 10 176.008 176.008 176.454 -0.446 25849 4939 1 16 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.297 -0.431 25849 4940 1 16 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.292 0.424 25849 4941 1 16 . 1 1 11 11 ARG N N 11 123.308 123.308 124.388 -1.080 25849 4942 1 16 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.635 -0.323 25849 4943 1 16 . 1 1 11 11 ARG C C 11 176.115 176.115 175.966 0.149 25849 4944 1 16 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.059 1.020 25849 4945 1 16 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.005 -1.222 25849 4946 1 16 . 1 1 12 12 THR N N 12 116.294 116.294 117.376 -1.082 25849 4947 1 16 . 1 1 12 12 THR HA H 12 4.193 4.193 4.460 -0.267 25849 4948 1 16 . 1 1 12 12 THR C C 12 173.498 173.498 175.015 -1.517 25849 4949 1 16 . 1 1 12 12 THR CA C 12 61.491 61.491 62.545 -1.054 25849 4950 1 16 . 1 1 12 12 THR CB C 12 69.706 69.706 69.877 -0.171 25849 4951 1 16 . 1 1 13 13 ALA N N 13 127.117 127.117 127.768 -0.651 25849 4952 1 16 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.355 -0.134 25849 4953 1 16 . 1 1 13 13 ALA C C 13 176.874 176.874 176.521 0.353 25849 4954 1 16 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.640 -0.617 25849 4955 1 16 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.180 1.452 25849 4956 1 16 . 1 1 14 14 PHE N N 14 118.798 118.798 125.431 -6.633 25849 4957 1 16 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.121 -0.229 25849 4958 1 16 . 1 1 14 14 PHE C C 14 176.653 176.653 176.495 0.158 25849 4959 1 16 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.404 -0.270 25849 4960 1 16 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.261 -1.749 25849 4961 1 16 . 1 1 15 15 THR N N 15 113.522 113.522 115.786 -2.264 25849 4962 1 16 . 1 1 15 15 THR HA H 15 4.426 4.426 4.607 -0.181 25849 4963 1 16 . 1 1 15 15 THR C C 15 175.371 175.371 175.940 -0.569 25849 4964 1 16 . 1 1 15 15 THR CA C 15 60.434 60.434 61.208 -0.774 25849 4965 1 16 . 1 1 15 15 THR CB C 15 70.826 70.826 70.570 0.256 25849 4966 1 16 . 1 1 16 16 SER N N 16 116.611 116.611 116.826 -0.215 25849 4967 1 16 . 1 1 16 16 SER HA H 16 3.862 3.862 4.188 -0.326 25849 4968 1 16 . 1 1 16 16 SER C C 16 176.742 176.742 176.772 -0.030 25849 4969 1 16 . 1 1 16 16 SER CA C 16 62.165 62.165 61.975 0.190 25849 4970 1 16 . 1 1 16 16 SER CB C 16 61.908 61.908 62.688 -0.780 25849 4971 1 16 . 1 1 17 17 GLU N N 17 120.901 120.901 119.744 1.157 25849 4972 1 16 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.980 -0.037 25849 4973 1 16 . 1 1 17 17 GLU C C 17 178.802 178.802 178.557 0.245 25849 4974 1 16 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.745 0.336 25849 4975 1 16 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.069 0.037 25849 4976 1 16 . 1 1 18 18 GLN N N 18 118.523 118.523 118.181 0.342 25849 4977 1 16 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.098 -0.352 25849 4978 1 16 . 1 1 18 18 GLN C C 18 177.493 177.493 178.072 -0.579 25849 4979 1 16 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.313 0.571 25849 4980 1 16 . 1 1 18 18 GLN CB C 18 28.058 28.058 29.092 -1.034 25849 4981 1 16 . 1 1 19 19 LEU N N 19 117.349 117.349 119.901 -2.552 25849 4982 1 16 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.858 -0.326 25849 4983 1 16 . 1 1 19 19 LEU C C 19 178.289 178.289 178.576 -0.287 25849 4984 1 16 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.685 1.034 25849 4985 1 16 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.488 0.502 25849 4986 1 16 . 1 1 20 20 LEU N N 20 118.800 118.800 120.738 -1.938 25849 4987 1 16 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.024 -0.152 25849 4988 1 16 . 1 1 20 20 LEU C C 20 179.808 179.808 178.665 1.143 25849 4989 1 16 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.003 0.329 25849 4990 1 16 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.070 0.934 25849 4991 1 16 . 1 1 21 21 GLU N N 21 118.036 118.036 118.714 -0.678 25849 4992 1 16 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.994 0.043 25849 4993 1 16 . 1 1 21 21 GLU C C 21 175.996 175.996 179.310 -3.314 25849 4994 1 16 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.208 -0.798 25849 4995 1 16 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.137 0.676 25849 4996 1 16 . 1 1 22 22 LEU N N 22 121.854 121.854 118.902 2.952 25849 4997 1 16 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.928 -0.442 25849 4998 1 16 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.766 0.489 25849 4999 1 16 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.920 -2.486 25849 5000 1 16 . 1 1 23 23 ARG N N 23 116.956 116.956 117.721 -0.765 25849 5001 1 16 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.055 -0.130 25849 5002 1 16 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.321 0.827 25849 5003 1 16 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.261 -0.250 25849 5004 1 16 . 1 1 24 24 LYS N N 24 121.392 121.392 118.440 2.952 25849 5005 1 16 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.157 -0.176 25849 5006 1 16 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.919 0.790 25849 5007 1 16 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.220 0.222 25849 5008 1 16 . 1 1 25 25 GLU N N 25 119.698 119.698 120.453 -0.755 25849 5009 1 16 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.219 0.021 25849 5010 1 16 . 1 1 25 25 GLU C C 25 178.495 178.495 179.027 -0.532 25849 5011 1 16 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.834 -0.071 25849 5012 1 16 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.246 -0.531 25849 5013 1 16 . 1 1 26 26 PHE N N 26 121.062 121.062 119.400 1.662 25849 5014 1 16 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.120 0.511 25849 5015 1 16 . 1 1 26 26 PHE C C 26 176.071 176.071 175.842 0.229 25849 5016 1 16 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.668 -0.838 25849 5017 1 16 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.342 0.239 25849 5018 1 16 . 1 1 27 27 HIS N N 27 115.944 115.944 116.662 -0.718 25849 5019 1 16 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.622 -0.588 25849 5020 1 16 . 1 1 27 27 HIS CA C 27 58.231 58.231 55.749 2.482 25849 5021 1 16 . 1 1 27 27 HIS CB C 27 29.096 29.096 29.457 -0.361 25849 5022 1 16 . 1 1 28 28 CYS N N 28 113.854 113.854 118.628 -4.774 25849 5023 1 16 . 1 1 28 28 CYS C C 28 175.913 175.913 174.040 1.873 25849 5024 1 16 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.322 -8.275 25849 5025 1 16 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.528 19.370 25849 5026 1 16 . 1 1 29 29 LYS N N 29 121.350 121.350 122.592 -1.242 25849 5027 1 16 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.302 -0.038 25849 5028 1 16 . 1 1 29 29 LYS C C 29 172.365 172.365 176.732 -4.367 25849 5029 1 16 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.995 0.077 25849 5030 1 16 . 1 1 29 29 LYS CB C 29 35.073 35.073 32.681 2.392 25849 5031 1 16 . 1 1 30 30 LYS N N 30 117.744 117.744 120.828 -3.084 25849 5032 1 16 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.969 -0.253 25849 5033 1 16 . 1 1 30 30 LYS C C 30 174.932 174.932 176.054 -1.122 25849 5034 1 16 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.853 -1.925 25849 5035 1 16 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.421 0.127 25849 5036 1 16 . 1 1 31 31 TYR N N 31 113.437 113.437 113.589 -0.152 25849 5037 1 16 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.705 -0.205 25849 5038 1 16 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.164 1.230 25849 5039 1 16 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.856 1.305 25849 5040 1 16 . 1 1 32 32 LEU N N 32 122.416 122.416 123.526 -1.110 25849 5041 1 16 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.216 0.405 25849 5042 1 16 . 1 1 32 32 LEU C C 32 177.448 177.448 176.807 0.641 25849 5043 1 16 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.691 -1.907 25849 5044 1 16 . 1 1 32 32 LEU CB C 32 44.699 44.699 41.504 3.195 25849 5045 1 16 . 1 1 33 33 SER N N 33 119.021 119.021 119.100 -0.079 25849 5046 1 16 . 1 1 33 33 SER HA H 33 4.495 4.495 4.515 -0.020 25849 5047 1 16 . 1 1 33 33 SER C C 33 174.599 174.599 175.700 -1.101 25849 5048 1 16 . 1 1 33 33 SER CA C 33 56.591 56.591 58.712 -2.121 25849 5049 1 16 . 1 1 33 33 SER CB C 33 64.944 64.944 63.965 0.979 25849 5050 1 16 . 1 1 34 34 LEU N N 34 121.555 121.555 122.941 -1.386 25849 5051 1 16 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.095 -0.189 25849 5052 1 16 . 1 1 34 34 LEU C C 34 179.869 179.869 178.960 0.909 25849 5053 1 16 . 1 1 34 34 LEU CA C 34 58.918 58.918 59.090 -0.172 25849 5054 1 16 . 1 1 34 34 LEU CB C 34 41.385 41.385 41.515 -0.130 25849 5055 1 16 . 1 1 35 35 THR N N 35 113.629 113.629 114.394 -0.765 25849 5056 1 16 . 1 1 35 35 THR HA H 35 3.861 3.861 3.898 -0.037 25849 5057 1 16 . 1 1 35 35 THR C C 35 176.846 176.846 176.158 0.688 25849 5058 1 16 . 1 1 35 35 THR CA C 35 65.790 65.790 66.958 -1.168 25849 5059 1 16 . 1 1 35 35 THR CB C 35 68.421 68.421 68.132 0.289 25849 5060 1 16 . 1 1 36 36 GLU N N 36 122.918 122.918 121.349 1.569 25849 5061 1 16 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.067 -0.156 25849 5062 1 16 . 1 1 36 36 GLU C C 36 178.858 178.858 178.721 0.137 25849 5063 1 16 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.399 -0.552 25849 5064 1 16 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.503 2.034 25849 5065 1 16 . 1 1 37 37 ARG N N 37 119.042 119.042 119.624 -0.582 25849 5066 1 16 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.913 -0.229 25849 5067 1 16 . 1 1 37 37 ARG C C 37 177.748 177.748 178.752 -1.004 25849 5068 1 16 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.268 0.768 25849 5069 1 16 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.214 0.598 25849 5070 1 16 . 1 1 38 38 SER N N 38 113.447 113.447 115.210 -1.763 25849 5071 1 16 . 1 1 38 38 SER HA H 38 4.004 4.004 4.080 -0.076 25849 5072 1 16 . 1 1 38 38 SER C C 38 176.517 176.517 176.323 0.194 25849 5073 1 16 . 1 1 38 38 SER CA C 38 61.804 61.804 61.382 0.422 25849 5074 1 16 . 1 1 38 38 SER CB C 38 62.810 62.810 63.028 -0.218 25849 5075 1 16 . 1 1 39 39 GLN N N 39 121.739 121.739 121.419 0.320 25849 5076 1 16 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.033 0.014 25849 5077 1 16 . 1 1 39 39 GLN C C 39 178.889 178.889 178.685 0.204 25849 5078 1 16 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.117 -0.027 25849 5079 1 16 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.908 -0.593 25849 5080 1 16 . 1 1 40 40 ILE N N 40 121.471 121.471 115.880 5.591 25849 5081 1 16 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.934 -0.097 25849 5082 1 16 . 1 1 40 40 ILE C C 40 176.844 176.844 177.358 -0.514 25849 5083 1 16 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.492 2.906 25849 5084 1 16 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.450 1.725 25849 5085 1 16 . 1 1 41 41 ALA N N 41 121.897 121.897 122.014 -0.117 25849 5086 1 16 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.094 -0.500 25849 5087 1 16 . 1 1 41 41 ALA C C 41 179.238 179.238 178.903 0.335 25849 5088 1 16 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.627 1.299 25849 5089 1 16 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.044 -1.460 25849 5090 1 16 . 1 1 42 42 HIS N N 42 114.139 114.139 120.355 -6.216 25849 5091 1 16 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.290 0.033 25849 5092 1 16 . 1 1 42 42 HIS C C 42 178.003 178.003 178.113 -0.110 25849 5093 1 16 . 1 1 42 42 HIS CA C 42 58.745 58.745 60.051 -1.306 25849 5094 1 16 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.997 -1.235 25849 5095 1 16 . 1 1 43 43 ALA N N 43 121.931 121.931 121.840 0.091 25849 5096 1 16 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.205 -0.213 25849 5097 1 16 . 1 1 43 43 ALA C C 43 179.235 179.235 177.681 1.554 25849 5098 1 16 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.548 0.363 25849 5099 1 16 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.647 -0.244 25849 5100 1 16 . 1 1 44 44 LEU N N 44 114.067 114.067 115.042 -0.975 25849 5101 1 16 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.500 -0.261 25849 5102 1 16 . 1 1 44 44 LEU C C 44 175.891 175.891 176.187 -0.296 25849 5103 1 16 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.428 0.808 25849 5104 1 16 . 1 1 44 44 LEU CB C 44 42.580 42.580 43.038 -0.458 25849 5105 1 16 . 1 1 45 45 LYS N N 45 116.940 116.940 117.126 -0.186 25849 5106 1 16 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.798 0.079 25849 5107 1 16 . 1 1 45 45 LYS C C 45 175.207 175.207 175.866 -0.659 25849 5108 1 16 . 1 1 45 45 LYS CA C 45 57.254 57.254 56.953 0.301 25849 5109 1 16 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.138 -1.741 25849 5110 1 16 . 1 1 46 46 LEU N N 46 119.505 119.505 118.841 0.664 25849 5111 1 16 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.435 0.272 25849 5112 1 16 . 1 1 46 46 LEU C C 46 175.958 175.958 175.562 0.396 25849 5113 1 16 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.826 -1.487 25849 5114 1 16 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.988 3.324 25849 5115 1 16 . 1 1 47 47 SER N N 47 114.844 114.844 114.248 0.596 25849 5116 1 16 . 1 1 47 47 SER HA H 47 4.641 4.641 4.544 0.097 25849 5117 1 16 . 1 1 47 47 SER C C 47 175.899 175.899 175.784 0.115 25849 5118 1 16 . 1 1 47 47 SER CA C 47 56.675 56.675 57.530 -0.855 25849 5119 1 16 . 1 1 47 47 SER CB C 47 64.911 64.911 63.940 0.971 25849 5120 1 16 . 1 1 48 48 GLU N N 48 122.920 122.920 122.171 0.749 25849 5121 1 16 . 1 1 48 48 GLU HA H 48 3.595 3.595 3.988 -0.393 25849 5122 1 16 . 1 1 48 48 GLU C C 48 178.430 178.430 178.687 -0.257 25849 5123 1 16 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.927 1.188 25849 5124 1 16 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.421 -0.410 25849 5125 1 16 . 1 1 49 49 VAL N N 49 118.053 118.053 118.942 -0.889 25849 5126 1 16 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.792 -0.102 25849 5127 1 16 . 1 1 49 49 VAL C C 49 177.001 177.001 178.100 -1.099 25849 5128 1 16 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.084 -0.331 25849 5129 1 16 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.158 0.651 25849 5130 1 16 . 1 1 50 50 GLN N N 50 119.121 119.121 118.814 0.307 25849 5131 1 16 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.221 -0.147 25849 5132 1 16 . 1 1 50 50 GLN C C 50 179.480 179.480 178.955 0.525 25849 5133 1 16 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.827 0.427 25849 5134 1 16 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.129 1.528 25849 5135 1 16 . 1 1 51 51 VAL N N 51 118.983 118.983 119.659 -0.676 25849 5136 1 16 . 1 1 51 51 VAL HA H 51 3.644 3.644 3.972 -0.328 25849 5137 1 16 . 1 1 51 51 VAL C C 51 176.652 176.652 178.022 -1.370 25849 5138 1 16 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.629 0.792 25849 5139 1 16 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.201 0.959 25849 5140 1 16 . 1 1 52 52 LYS N N 52 120.962 120.962 121.260 -0.298 25849 5141 1 16 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.016 0.151 25849 5142 1 16 . 1 1 52 52 LYS C C 52 179.592 179.592 179.129 0.463 25849 5143 1 16 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.898 0.050 25849 5144 1 16 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.408 0.883 25849 5145 1 16 . 1 1 53 53 ILE N N 53 120.085 120.085 119.292 0.793 25849 5146 1 16 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.822 -0.087 25849 5147 1 16 . 1 1 53 53 ILE C C 53 177.452 177.452 177.828 -0.376 25849 5148 1 16 . 1 1 53 53 ILE CA C 53 64.226 64.226 65.115 -0.890 25849 5149 1 16 . 1 1 53 53 ILE CB C 53 38.026 38.026 38.047 -0.021 25849 5150 1 16 . 1 1 54 54 TRP N N 54 122.169 122.169 122.472 -0.303 25849 5151 1 16 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.127 -0.140 25849 5152 1 16 . 1 1 54 54 TRP C C 54 179.143 179.143 178.000 1.143 25849 5153 1 16 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.129 1.463 25849 5154 1 16 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.634 -0.694 25849 5155 1 16 . 1 1 55 55 PHE N N 55 118.530 118.530 117.840 0.690 25849 5156 1 16 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.272 -0.618 25849 5157 1 16 . 1 1 55 55 PHE C C 55 177.833 177.833 178.084 -0.251 25849 5158 1 16 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.611 0.591 25849 5159 1 16 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.751 0.788 25849 5160 1 16 . 1 1 56 56 GLN N N 56 118.313 118.313 119.087 -0.774 25849 5161 1 16 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.966 -0.077 25849 5162 1 16 . 1 1 56 56 GLN C C 56 179.052 179.052 178.446 0.606 25849 5163 1 16 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.164 0.321 25849 5164 1 16 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.087 0.482 25849 5165 1 16 . 1 1 57 57 ASN N N 57 119.607 119.607 118.768 0.839 25849 5166 1 16 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.364 -0.083 25849 5167 1 16 . 1 1 57 57 ASN C C 57 177.385 177.385 177.772 -0.387 25849 5168 1 16 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.450 -1.058 25849 5169 1 16 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.328 -0.495 25849 5170 1 16 . 1 1 58 58 GLU N N 58 124.516 124.516 120.993 3.523 25849 5171 1 16 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.863 -0.502 25849 5172 1 16 . 1 1 58 58 GLU C C 58 179.522 179.522 178.434 1.088 25849 5173 1 16 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.783 -0.496 25849 5174 1 16 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.037 -1.505 25849 5175 1 16 . 1 1 59 59 ARG N N 59 118.692 118.692 120.432 -1.740 25849 5176 1 16 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.294 -0.154 25849 5177 1 16 . 1 1 59 59 ARG C C 59 178.813 178.813 178.850 -0.037 25849 5178 1 16 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.689 1.224 25849 5179 1 16 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.397 1.294 25849 5180 1 16 . 1 1 60 60 ALA N N 60 120.662 120.662 120.679 -0.017 25849 5181 1 16 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.163 -0.080 25849 5182 1 16 . 1 1 60 60 ALA C C 60 179.753 179.753 179.134 0.619 25849 5183 1 16 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.143 -0.343 25849 5184 1 16 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.359 -0.461 25849 5185 1 16 . 1 1 61 61 LYS N N 61 118.620 118.620 118.732 -0.112 25849 5186 1 16 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.013 -0.172 25849 5187 1 16 . 1 1 61 61 LYS C C 61 177.994 177.994 179.147 -1.153 25849 5188 1 16 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.786 -0.014 25849 5189 1 16 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.096 0.399 25849 5190 1 16 . 1 1 62 62 TRP N N 62 120.517 120.517 122.661 -2.144 25849 5191 1 16 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.324 0.003 25849 5192 1 16 . 1 1 62 62 TRP C C 62 177.118 177.118 178.247 -1.129 25849 5193 1 16 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.381 -2.045 25849 5194 1 16 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.885 -0.766 25849 5195 1 16 . 1 1 63 63 LYS N N 63 119.074 119.074 118.405 0.669 25849 5196 1 16 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.102 -0.307 25849 5197 1 16 . 1 1 63 63 LYS C C 63 177.429 177.429 178.395 -0.966 25849 5198 1 16 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.384 -1.295 25849 5199 1 16 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.162 0.583 25849 5200 1 16 . 1 1 64 64 ARG N N 64 118.825 118.825 117.612 1.213 25849 5201 1 16 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.110 -0.026 25849 5202 1 16 . 1 1 64 64 ARG C C 64 177.231 177.231 178.480 -1.249 25849 5203 1 16 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.011 -0.541 25849 5204 1 16 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.098 0.180 25849 5205 1 16 . 1 1 65 65 ILE N N 65 120.523 120.523 120.115 0.408 25849 5206 1 16 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.694 0.179 25849 5207 1 16 . 1 1 65 65 ILE C C 65 177.198 177.198 177.434 -0.236 25849 5208 1 16 . 1 1 65 65 ILE CA C 65 62.392 62.392 64.000 -1.608 25849 5209 1 16 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.429 0.968 25849 5210 1 16 . 1 1 66 66 LYS N N 66 123.201 123.201 119.026 4.175 25849 5211 1 16 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.093 -0.020 25849 5212 1 16 . 1 1 66 66 LYS C C 66 176.387 176.387 176.382 0.005 25849 5213 1 16 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.556 0.069 25849 5214 1 16 . 1 1 66 66 LYS CB C 66 32.364 32.364 32.091 0.273 25849 5215 1 16 . 1 1 67 67 ALA N N 67 123.500 123.500 118.938 4.562 25849 5216 1 16 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.057 0.145 25849 5217 1 16 . 1 1 67 67 ALA C C 67 177.870 177.870 177.494 0.376 25849 5218 1 16 . 1 1 67 67 ALA CA C 67 52.583 52.583 52.992 -0.409 25849 5219 1 16 . 1 1 67 67 ALA CB C 67 19.086 19.086 17.526 1.560 25849 5220 1 16 . 1 1 68 68 GLY N N 68 107.120 107.120 107.216 -0.096 25849 5221 1 16 . 1 1 68 68 GLY C C 68 173.688 173.688 174.432 -0.744 25849 5222 1 16 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.893 0.455 25849 5223 1 16 . 1 1 69 69 ASN N N 69 118.671 118.671 120.617 -1.946 25849 5224 1 16 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.592 0.091 25849 5225 1 16 . 1 1 69 69 ASN C C 69 174.792 174.792 175.730 -0.938 25849 5226 1 16 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.690 -0.681 25849 5227 1 16 . 1 1 69 69 ASN CB C 69 39.064 39.064 38.324 0.740 25849 5228 1 16 . 1 1 70 70 VAL N N 70 119.480 119.480 121.018 -1.538 25849 5229 1 16 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.725 0.405 25849 5230 1 16 . 1 1 70 70 VAL C C 70 175.126 175.126 175.179 -0.053 25849 5231 1 16 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.201 -1.110 25849 5232 1 16 . 1 1 70 70 VAL CB C 70 32.863 32.863 30.132 2.731 25849 5233 1 17 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.341 0.024 25849 5234 1 17 . 1 1 3 3 PRO C C 3 177.410 177.410 177.537 -0.127 25849 5235 1 17 . 1 1 3 3 PRO CA C 3 63.261 63.261 63.786 -0.525 25849 5236 1 17 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.187 -0.405 25849 5237 1 17 . 1 1 4 4 GLY N N 4 109.481 109.481 105.668 3.813 25849 5238 1 17 . 1 1 4 4 GLY C C 4 173.688 173.688 174.575 -0.887 25849 5239 1 17 . 1 1 4 4 GLY CA C 4 45.075 45.075 44.419 0.656 25849 5240 1 17 . 1 1 5 5 GLY N N 5 108.665 108.665 108.352 0.313 25849 5241 1 17 . 1 1 5 5 GLY C C 5 174.231 174.231 173.760 0.471 25849 5242 1 17 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.395 -0.013 25849 5243 1 17 . 1 1 6 6 LYS N N 6 120.860 120.860 123.185 -2.325 25849 5244 1 17 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.246 0.010 25849 5245 1 17 . 1 1 6 6 LYS C C 6 176.715 176.715 175.449 1.266 25849 5246 1 17 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.032 0.260 25849 5247 1 17 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.935 -0.129 25849 5248 1 17 . 1 1 7 7 SER N N 7 116.762 116.762 117.046 -0.284 25849 5249 1 17 . 1 1 7 7 SER HA H 7 4.344 4.344 4.338 0.006 25849 5250 1 17 . 1 1 7 7 SER C C 7 174.437 174.437 173.502 0.935 25849 5251 1 17 . 1 1 7 7 SER CA C 7 58.373 58.373 58.684 -0.310 25849 5252 1 17 . 1 1 7 7 SER CB C 7 63.557 63.557 63.113 0.444 25849 5253 1 17 . 1 1 8 8 ARG N N 8 123.315 123.315 123.715 -0.400 25849 5254 1 17 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.559 -0.296 25849 5255 1 17 . 1 1 8 8 ARG C C 8 176.017 176.017 175.353 0.664 25849 5256 1 17 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.721 0.230 25849 5257 1 17 . 1 1 8 8 ARG CB C 8 30.533 30.533 31.729 -1.196 25849 5258 1 17 . 1 1 9 9 ARG N N 9 122.423 122.423 123.626 -1.203 25849 5259 1 17 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.790 -0.562 25849 5260 1 17 . 1 1 9 9 ARG C C 9 176.001 176.001 175.282 0.719 25849 5261 1 17 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.265 0.671 25849 5262 1 17 . 1 1 9 9 ARG CB C 9 30.625 30.625 32.436 -1.811 25849 5263 1 17 . 1 1 10 10 ARG N N 10 123.297 123.297 120.522 2.775 25849 5264 1 17 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.377 -0.128 25849 5265 1 17 . 1 1 10 10 ARG C C 10 176.008 176.008 174.946 1.062 25849 5266 1 17 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.704 0.162 25849 5267 1 17 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.974 -0.258 25849 5268 1 17 . 1 1 11 11 ARG N N 11 123.308 123.308 122.038 1.270 25849 5269 1 17 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.491 -0.179 25849 5270 1 17 . 1 1 11 11 ARG C C 11 176.115 176.115 175.435 0.680 25849 5271 1 17 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.000 0.079 25849 5272 1 17 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.718 0.065 25849 5273 1 17 . 1 1 12 12 THR N N 12 116.294 116.294 114.335 1.959 25849 5274 1 17 . 1 1 12 12 THR HA H 12 4.193 4.193 4.357 -0.164 25849 5275 1 17 . 1 1 12 12 THR C C 12 173.498 173.498 175.683 -2.185 25849 5276 1 17 . 1 1 12 12 THR CA C 12 61.491 61.491 61.321 0.170 25849 5277 1 17 . 1 1 12 12 THR CB C 12 69.706 69.706 69.348 0.358 25849 5278 1 17 . 1 1 13 13 ALA N N 13 127.117 127.117 124.846 2.271 25849 5279 1 17 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.431 -0.210 25849 5280 1 17 . 1 1 13 13 ALA C C 13 176.874 176.874 176.493 0.381 25849 5281 1 17 . 1 1 13 13 ALA CA C 13 52.023 52.023 51.960 0.063 25849 5282 1 17 . 1 1 13 13 ALA CB C 13 19.632 19.632 17.699 1.933 25849 5283 1 17 . 1 1 14 14 PHE N N 14 118.798 118.798 120.640 -1.842 25849 5284 1 17 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.822 0.070 25849 5285 1 17 . 1 1 14 14 PHE C C 14 176.653 176.653 177.049 -0.396 25849 5286 1 17 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.583 0.551 25849 5287 1 17 . 1 1 14 14 PHE CB C 14 40.512 40.512 39.848 0.664 25849 5288 1 17 . 1 1 15 15 THR N N 15 113.522 113.522 116.937 -3.415 25849 5289 1 17 . 1 1 15 15 THR HA H 15 4.426 4.426 4.600 -0.174 25849 5290 1 17 . 1 1 15 15 THR C C 15 175.371 175.371 175.745 -0.374 25849 5291 1 17 . 1 1 15 15 THR CA C 15 60.434 60.434 60.613 -0.179 25849 5292 1 17 . 1 1 15 15 THR CB C 15 70.826 70.826 70.358 0.468 25849 5293 1 17 . 1 1 16 16 SER N N 16 116.611 116.611 118.216 -1.605 25849 5294 1 17 . 1 1 16 16 SER HA H 16 3.862 3.862 4.109 -0.247 25849 5295 1 17 . 1 1 16 16 SER C C 16 176.742 176.742 176.399 0.343 25849 5296 1 17 . 1 1 16 16 SER CA C 16 62.165 62.165 61.923 0.242 25849 5297 1 17 . 1 1 16 16 SER CB C 16 61.908 61.908 62.496 -0.588 25849 5298 1 17 . 1 1 17 17 GLU N N 17 120.901 120.901 119.541 1.360 25849 5299 1 17 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.131 -0.188 25849 5300 1 17 . 1 1 17 17 GLU C C 17 178.802 178.802 178.127 0.675 25849 5301 1 17 . 1 1 17 17 GLU CA C 17 60.081 60.081 58.875 1.206 25849 5302 1 17 . 1 1 17 17 GLU CB C 17 29.106 29.106 28.907 0.200 25849 5303 1 17 . 1 1 18 18 GLN N N 18 118.523 118.523 116.383 2.140 25849 5304 1 17 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.204 -0.458 25849 5305 1 17 . 1 1 18 18 GLN C C 18 177.493 177.493 176.989 0.504 25849 5306 1 17 . 1 1 18 18 GLN CA C 18 58.884 58.884 56.665 2.219 25849 5307 1 17 . 1 1 18 18 GLN CB C 18 28.058 28.058 29.242 -1.184 25849 5308 1 17 . 1 1 19 19 LEU N N 19 117.349 117.349 120.717 -3.368 25849 5309 1 17 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.667 -0.136 25849 5310 1 17 . 1 1 19 19 LEU C C 19 178.289 178.289 178.067 0.222 25849 5311 1 17 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.987 0.732 25849 5312 1 17 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.870 0.120 25849 5313 1 17 . 1 1 20 20 LEU N N 20 118.800 118.800 120.371 -1.571 25849 5314 1 17 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.909 -0.037 25849 5315 1 17 . 1 1 20 20 LEU C C 20 179.808 179.808 178.289 1.519 25849 5316 1 17 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.513 -0.181 25849 5317 1 17 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.562 0.442 25849 5318 1 17 . 1 1 21 21 GLU N N 21 118.036 118.036 117.838 0.198 25849 5319 1 17 . 1 1 21 21 GLU HA H 21 4.037 4.037 3.936 0.101 25849 5320 1 17 . 1 1 21 21 GLU C C 21 175.996 175.996 179.161 -3.165 25849 5321 1 17 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.356 -0.946 25849 5322 1 17 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.693 1.120 25849 5323 1 17 . 1 1 22 22 LEU N N 22 121.854 121.854 118.508 3.346 25849 5324 1 17 . 1 1 22 22 LEU HA H 22 3.486 3.486 4.015 -0.529 25849 5325 1 17 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.930 0.325 25849 5326 1 17 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.421 -2.986 25849 5327 1 17 . 1 1 23 23 ARG N N 23 116.956 116.956 117.402 -0.446 25849 5328 1 17 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.216 -0.291 25849 5329 1 17 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.571 1.577 25849 5330 1 17 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.192 -0.181 25849 5331 1 17 . 1 1 24 24 LYS N N 24 121.392 121.392 120.975 0.417 25849 5332 1 17 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.025 -0.044 25849 5333 1 17 . 1 1 24 24 LYS CA C 24 59.709 59.709 60.087 -0.378 25849 5334 1 17 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.138 0.304 25849 5335 1 17 . 1 1 25 25 GLU N N 25 119.698 119.698 119.209 0.489 25849 5336 1 17 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.165 0.075 25849 5337 1 17 . 1 1 25 25 GLU C C 25 178.495 178.495 178.690 -0.195 25849 5338 1 17 . 1 1 25 25 GLU CA C 25 58.763 58.763 59.253 -0.490 25849 5339 1 17 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.585 -0.870 25849 5340 1 17 . 1 1 26 26 PHE N N 26 121.062 121.062 118.868 2.194 25849 5341 1 17 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.264 0.367 25849 5342 1 17 . 1 1 26 26 PHE C C 26 176.071 176.071 176.723 -0.652 25849 5343 1 17 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.964 -1.134 25849 5344 1 17 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.452 0.129 25849 5345 1 17 . 1 1 27 27 HIS N N 27 115.944 115.944 116.239 -0.295 25849 5346 1 17 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.481 -0.447 25849 5347 1 17 . 1 1 27 27 HIS CA C 27 58.231 58.231 56.813 1.418 25849 5348 1 17 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.065 -0.969 25849 5349 1 17 . 1 1 28 28 CYS N N 28 113.854 113.854 116.731 -2.877 25849 5350 1 17 . 1 1 28 28 CYS C C 28 175.913 175.913 173.794 2.119 25849 5351 1 17 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.333 -8.286 25849 5352 1 17 . 1 1 28 28 CYS CB C 28 49.898 49.898 29.488 20.410 25849 5353 1 17 . 1 1 29 29 LYS N N 29 121.350 121.350 120.176 1.174 25849 5354 1 17 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.131 0.133 25849 5355 1 17 . 1 1 29 29 LYS C C 29 172.365 172.365 175.935 -3.570 25849 5356 1 17 . 1 1 29 29 LYS CA C 29 56.072 56.072 57.069 -0.997 25849 5357 1 17 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.185 1.888 25849 5358 1 17 . 1 1 30 30 LYS N N 30 117.744 117.744 115.131 2.613 25849 5359 1 17 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.206 -0.490 25849 5360 1 17 . 1 1 30 30 LYS C C 30 174.932 174.932 174.800 0.132 25849 5361 1 17 . 1 1 30 30 LYS CA C 30 55.928 55.928 56.258 -0.330 25849 5362 1 17 . 1 1 30 30 LYS CB C 30 32.548 32.548 33.936 -1.388 25849 5363 1 17 . 1 1 31 31 TYR N N 31 113.437 113.437 117.099 -3.662 25849 5364 1 17 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.877 -0.377 25849 5365 1 17 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.407 -0.014 25849 5366 1 17 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.240 1.921 25849 5367 1 17 . 1 1 32 32 LEU N N 32 122.416 122.416 123.849 -1.433 25849 5368 1 17 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.467 0.154 25849 5369 1 17 . 1 1 32 32 LEU C C 32 177.448 177.448 176.875 0.573 25849 5370 1 17 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.980 -1.194 25849 5371 1 17 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.237 2.462 25849 5372 1 17 . 1 1 33 33 SER N N 33 119.021 119.021 117.297 1.724 25849 5373 1 17 . 1 1 33 33 SER HA H 33 4.495 4.495 4.482 0.013 25849 5374 1 17 . 1 1 33 33 SER C C 33 174.599 174.599 176.218 -1.619 25849 5375 1 17 . 1 1 33 33 SER CA C 33 56.591 56.591 57.243 -0.652 25849 5376 1 17 . 1 1 33 33 SER CB C 33 64.944 64.944 64.642 0.302 25849 5377 1 17 . 1 1 34 34 LEU N N 34 121.555 121.555 121.069 0.486 25849 5378 1 17 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.131 -0.225 25849 5379 1 17 . 1 1 34 34 LEU C C 34 179.869 179.869 178.880 0.989 25849 5380 1 17 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.969 -0.051 25849 5381 1 17 . 1 1 34 34 LEU CB C 34 41.385 41.385 41.092 0.293 25849 5382 1 17 . 1 1 35 35 THR N N 35 113.629 113.629 112.627 1.002 25849 5383 1 17 . 1 1 35 35 THR HA H 35 3.861 3.861 4.020 -0.159 25849 5384 1 17 . 1 1 35 35 THR C C 35 176.846 176.846 176.246 0.600 25849 5385 1 17 . 1 1 35 35 THR CA C 35 65.790 65.790 66.782 -0.992 25849 5386 1 17 . 1 1 35 35 THR CB C 35 68.421 68.421 68.336 0.085 25849 5387 1 17 . 1 1 36 36 GLU N N 36 122.918 122.918 121.905 1.013 25849 5388 1 17 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.033 -0.122 25849 5389 1 17 . 1 1 36 36 GLU C C 36 178.858 178.858 178.975 -0.117 25849 5390 1 17 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.332 -0.485 25849 5391 1 17 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.528 2.010 25849 5392 1 17 . 1 1 37 37 ARG N N 37 119.042 119.042 118.867 0.175 25849 5393 1 17 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.842 -0.158 25849 5394 1 17 . 1 1 37 37 ARG C C 37 177.748 177.748 178.896 -1.148 25849 5395 1 17 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.936 0.100 25849 5396 1 17 . 1 1 37 37 ARG CB C 37 30.812 30.812 29.902 0.910 25849 5397 1 17 . 1 1 38 38 SER N N 38 113.447 113.447 112.959 0.488 25849 5398 1 17 . 1 1 38 38 SER HA H 38 4.004 4.004 4.223 -0.219 25849 5399 1 17 . 1 1 38 38 SER C C 38 176.517 176.517 176.501 0.016 25849 5400 1 17 . 1 1 38 38 SER CA C 38 61.804 61.804 61.601 0.203 25849 5401 1 17 . 1 1 38 38 SER CB C 38 62.810 62.810 62.770 0.041 25849 5402 1 17 . 1 1 39 39 GLN N N 39 121.739 121.739 121.643 0.096 25849 5403 1 17 . 1 1 39 39 GLN HA H 39 4.047 4.047 3.946 0.102 25849 5404 1 17 . 1 1 39 39 GLN C C 39 178.889 178.889 178.402 0.487 25849 5405 1 17 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.352 -0.262 25849 5406 1 17 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.761 -0.446 25849 5407 1 17 . 1 1 40 40 ILE N N 40 121.471 121.471 118.066 3.405 25849 5408 1 17 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.841 -0.004 25849 5409 1 17 . 1 1 40 40 ILE C C 40 176.844 176.844 178.216 -1.372 25849 5410 1 17 . 1 1 40 40 ILE CA C 40 64.398 64.398 62.940 1.458 25849 5411 1 17 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.139 2.036 25849 5412 1 17 . 1 1 41 41 ALA N N 41 121.897 121.897 123.032 -1.135 25849 5413 1 17 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.018 -0.424 25849 5414 1 17 . 1 1 41 41 ALA C C 41 179.238 179.238 178.957 0.281 25849 5415 1 17 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.922 1.004 25849 5416 1 17 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.228 -0.644 25849 5417 1 17 . 1 1 42 42 HIS N N 42 114.139 114.139 120.547 -6.408 25849 5418 1 17 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.184 0.139 25849 5419 1 17 . 1 1 42 42 HIS C C 42 178.003 178.003 178.172 -0.169 25849 5420 1 17 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.852 -1.107 25849 5421 1 17 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.881 -1.119 25849 5422 1 17 . 1 1 43 43 ALA N N 43 121.931 121.931 123.372 -1.441 25849 5423 1 17 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.157 -0.165 25849 5424 1 17 . 1 1 43 43 ALA C C 43 179.235 179.235 178.411 0.824 25849 5425 1 17 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.859 0.052 25849 5426 1 17 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.430 -0.027 25849 5427 1 17 . 1 1 44 44 LEU N N 44 114.067 114.067 115.061 -0.994 25849 5428 1 17 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.264 -0.025 25849 5429 1 17 . 1 1 44 44 LEU C C 44 175.891 175.891 176.529 -0.638 25849 5430 1 17 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.986 0.250 25849 5431 1 17 . 1 1 44 44 LEU CB C 44 42.580 42.580 41.830 0.750 25849 5432 1 17 . 1 1 45 45 LYS N N 45 116.940 116.940 116.861 0.079 25849 5433 1 17 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.900 -0.023 25849 5434 1 17 . 1 1 45 45 LYS C C 45 175.207 175.207 176.207 -1.000 25849 5435 1 17 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.422 -0.168 25849 5436 1 17 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.272 -2.875 25849 5437 1 17 . 1 1 46 46 LEU N N 46 119.505 119.505 118.713 0.792 25849 5438 1 17 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.308 0.399 25849 5439 1 17 . 1 1 46 46 LEU C C 46 175.958 175.958 176.221 -0.263 25849 5440 1 17 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.438 -2.099 25849 5441 1 17 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.227 4.085 25849 5442 1 17 . 1 1 47 47 SER N N 47 114.844 114.844 114.637 0.207 25849 5443 1 17 . 1 1 47 47 SER HA H 47 4.641 4.641 4.488 0.153 25849 5444 1 17 . 1 1 47 47 SER C C 47 175.899 175.899 175.773 0.126 25849 5445 1 17 . 1 1 47 47 SER CA C 47 56.675 56.675 58.160 -1.485 25849 5446 1 17 . 1 1 47 47 SER CB C 47 64.911 64.911 64.134 0.777 25849 5447 1 17 . 1 1 48 48 GLU N N 48 122.920 122.920 123.241 -0.321 25849 5448 1 17 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.089 -0.494 25849 5449 1 17 . 1 1 48 48 GLU C C 48 178.430 178.430 178.955 -0.525 25849 5450 1 17 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.861 1.254 25849 5451 1 17 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.462 -0.452 25849 5452 1 17 . 1 1 49 49 VAL N N 49 118.053 118.053 119.012 -0.959 25849 5453 1 17 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.731 -0.041 25849 5454 1 17 . 1 1 49 49 VAL C C 49 177.001 177.001 178.133 -1.132 25849 5455 1 17 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.879 -0.127 25849 5456 1 17 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.288 0.521 25849 5457 1 17 . 1 1 50 50 GLN N N 50 119.121 119.121 118.687 0.434 25849 5458 1 17 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.188 -0.114 25849 5459 1 17 . 1 1 50 50 GLN C C 50 179.480 179.480 178.962 0.518 25849 5460 1 17 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.111 0.143 25849 5461 1 17 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.665 0.992 25849 5462 1 17 . 1 1 51 51 VAL N N 51 118.983 118.983 120.143 -1.160 25849 5463 1 17 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.040 -0.396 25849 5464 1 17 . 1 1 51 51 VAL C C 51 176.652 176.652 177.841 -1.189 25849 5465 1 17 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.192 0.229 25849 5466 1 17 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.634 0.525 25849 5467 1 17 . 1 1 52 52 LYS N N 52 120.962 120.962 120.435 0.527 25849 5468 1 17 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.121 0.046 25849 5469 1 17 . 1 1 52 52 LYS C C 52 179.592 179.592 179.244 0.348 25849 5470 1 17 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.756 0.192 25849 5471 1 17 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.067 1.224 25849 5472 1 17 . 1 1 53 53 ILE N N 53 120.085 120.085 118.997 1.088 25849 5473 1 17 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.892 -0.157 25849 5474 1 17 . 1 1 53 53 ILE C C 53 177.452 177.452 177.874 -0.422 25849 5475 1 17 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.532 -0.306 25849 5476 1 17 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.803 0.223 25849 5477 1 17 . 1 1 54 54 TRP N N 54 122.169 122.169 122.629 -0.460 25849 5478 1 17 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.160 -0.173 25849 5479 1 17 . 1 1 54 54 TRP C C 54 179.143 179.143 178.182 0.961 25849 5480 1 17 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.475 2.117 25849 5481 1 17 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.639 -0.699 25849 5482 1 17 . 1 1 55 55 PHE N N 55 118.530 118.530 117.745 0.785 25849 5483 1 17 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.224 -0.570 25849 5484 1 17 . 1 1 55 55 PHE C C 55 177.833 177.833 178.044 -0.211 25849 5485 1 17 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.343 -0.141 25849 5486 1 17 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.000 0.539 25849 5487 1 17 . 1 1 56 56 GLN N N 56 118.313 118.313 117.323 0.990 25849 5488 1 17 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.035 -0.146 25849 5489 1 17 . 1 1 56 56 GLN C C 56 179.052 179.052 177.964 1.088 25849 5490 1 17 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.158 0.327 25849 5491 1 17 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.214 0.355 25849 5492 1 17 . 1 1 57 57 ASN N N 57 119.607 119.607 118.574 1.033 25849 5493 1 17 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.516 -0.235 25849 5494 1 17 . 1 1 57 57 ASN C C 57 177.385 177.385 177.421 -0.036 25849 5495 1 17 . 1 1 57 57 ASN CA C 57 55.392 55.392 55.891 -0.499 25849 5496 1 17 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.366 -0.533 25849 5497 1 17 . 1 1 58 58 GLU N N 58 124.516 124.516 121.480 3.036 25849 5498 1 17 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.886 -0.525 25849 5499 1 17 . 1 1 58 58 GLU C C 58 179.522 179.522 178.293 1.229 25849 5500 1 17 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.917 -0.630 25849 5501 1 17 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.236 -1.704 25849 5502 1 17 . 1 1 59 59 ARG N N 59 118.692 118.692 119.472 -0.780 25849 5503 1 17 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.510 -0.370 25849 5504 1 17 . 1 1 59 59 ARG C C 59 178.813 178.813 178.559 0.254 25849 5505 1 17 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.608 1.305 25849 5506 1 17 . 1 1 59 59 ARG CB C 59 31.691 31.691 29.954 1.737 25849 5507 1 17 . 1 1 60 60 ALA N N 60 120.662 120.662 122.709 -2.047 25849 5508 1 17 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.126 -0.043 25849 5509 1 17 . 1 1 60 60 ALA C C 60 179.753 179.753 179.328 0.425 25849 5510 1 17 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.089 -0.289 25849 5511 1 17 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.300 -0.403 25849 5512 1 17 . 1 1 61 61 LYS N N 61 118.620 118.620 118.682 -0.062 25849 5513 1 17 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.984 -0.143 25849 5514 1 17 . 1 1 61 61 LYS C C 61 177.994 177.994 178.465 -0.471 25849 5515 1 17 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.541 0.231 25849 5516 1 17 . 1 1 61 61 LYS CB C 61 32.495 32.495 31.785 0.709 25849 5517 1 17 . 1 1 62 62 TRP N N 62 120.517 120.517 120.661 -0.144 25849 5518 1 17 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.573 -0.246 25849 5519 1 17 . 1 1 62 62 TRP C C 62 177.118 177.118 178.603 -1.485 25849 5520 1 17 . 1 1 62 62 TRP CA C 62 59.336 59.336 59.710 -0.374 25849 5521 1 17 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.853 -1.734 25849 5522 1 17 . 1 1 63 63 LYS N N 63 119.074 119.074 120.160 -1.086 25849 5523 1 17 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.125 -0.330 25849 5524 1 17 . 1 1 63 63 LYS C C 63 177.429 177.429 179.344 -1.915 25849 5525 1 17 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.929 -1.840 25849 5526 1 17 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.414 0.331 25849 5527 1 17 . 1 1 64 64 ARG N N 64 118.825 118.825 118.017 0.808 25849 5528 1 17 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.147 -0.063 25849 5529 1 17 . 1 1 64 64 ARG C C 64 177.231 177.231 177.837 -0.606 25849 5530 1 17 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.645 -1.175 25849 5531 1 17 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.684 0.594 25849 5532 1 17 . 1 1 65 65 ILE N N 65 120.523 120.523 118.691 1.832 25849 5533 1 17 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.840 0.033 25849 5534 1 17 . 1 1 65 65 ILE C C 65 177.198 177.198 176.724 0.474 25849 5535 1 17 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.782 -0.390 25849 5536 1 17 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.717 0.681 25849 5537 1 17 . 1 1 66 66 LYS N N 66 123.201 123.201 121.133 2.068 25849 5538 1 17 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.095 -0.022 25849 5539 1 17 . 1 1 66 66 LYS C C 66 176.387 176.387 176.750 -0.363 25849 5540 1 17 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.693 -0.068 25849 5541 1 17 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.763 1.601 25849 5542 1 17 . 1 1 67 67 ALA N N 67 123.500 123.500 127.011 -3.511 25849 5543 1 17 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.013 0.189 25849 5544 1 17 . 1 1 67 67 ALA C C 67 177.870 177.870 178.282 -0.412 25849 5545 1 17 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.033 -1.450 25849 5546 1 17 . 1 1 67 67 ALA CB C 67 19.086 19.086 19.150 -0.064 25849 5547 1 17 . 1 1 68 68 GLY N N 68 107.120 107.120 106.775 0.345 25849 5548 1 17 . 1 1 68 68 GLY C C 68 173.688 173.688 174.206 -0.518 25849 5549 1 17 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.344 0.004 25849 5550 1 17 . 1 1 69 69 ASN N N 69 118.671 118.671 120.606 -1.935 25849 5551 1 17 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.741 -0.058 25849 5552 1 17 . 1 1 69 69 ASN C C 69 174.792 174.792 175.648 -0.856 25849 5553 1 17 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.992 0.017 25849 5554 1 17 . 1 1 69 69 ASN CB C 69 39.064 39.064 38.817 0.247 25849 5555 1 17 . 1 1 70 70 VAL N N 70 119.480 119.480 120.527 -1.047 25849 5556 1 17 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.967 0.163 25849 5557 1 17 . 1 1 70 70 VAL C C 70 175.126 175.126 176.081 -0.955 25849 5558 1 17 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.617 -1.526 25849 5559 1 17 . 1 1 70 70 VAL CB C 70 32.863 32.863 32.580 0.283 25849 5560 1 18 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.518 -0.153 25849 5561 1 18 . 1 1 3 3 PRO C C 3 177.410 177.410 176.373 1.037 25849 5562 1 18 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.563 0.698 25849 5563 1 18 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.636 -0.854 25849 5564 1 18 . 1 1 4 4 GLY N N 4 109.481 109.481 105.913 3.568 25849 5565 1 18 . 1 1 4 4 GLY C C 4 173.688 173.688 174.909 -1.221 25849 5566 1 18 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.351 -0.276 25849 5567 1 18 . 1 1 5 5 GLY N N 5 108.665 108.665 110.652 -1.987 25849 5568 1 18 . 1 1 5 5 GLY C C 5 174.231 174.231 175.145 -0.914 25849 5569 1 18 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.211 0.171 25849 5570 1 18 . 1 1 6 6 LYS N N 6 120.860 120.860 123.787 -2.927 25849 5571 1 18 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.392 -0.136 25849 5572 1 18 . 1 1 6 6 LYS C C 6 176.715 176.715 175.621 1.094 25849 5573 1 18 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.433 -0.141 25849 5574 1 18 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.980 -0.174 25849 5575 1 18 . 1 1 7 7 SER N N 7 116.762 116.762 116.986 -0.224 25849 5576 1 18 . 1 1 7 7 SER HA H 7 4.344 4.344 4.589 -0.245 25849 5577 1 18 . 1 1 7 7 SER C C 7 174.437 174.437 173.268 1.169 25849 5578 1 18 . 1 1 7 7 SER CA C 7 58.373 58.373 59.353 -0.980 25849 5579 1 18 . 1 1 7 7 SER CB C 7 63.557 63.557 65.153 -1.596 25849 5580 1 18 . 1 1 8 8 ARG N N 8 123.315 123.315 120.694 2.621 25849 5581 1 18 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.778 -0.515 25849 5582 1 18 . 1 1 8 8 ARG C C 8 176.017 176.017 177.000 -0.983 25849 5583 1 18 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.734 0.217 25849 5584 1 18 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.253 0.280 25849 5585 1 18 . 1 1 9 9 ARG N N 9 122.423 122.423 120.302 2.121 25849 5586 1 18 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.243 -0.015 25849 5587 1 18 . 1 1 9 9 ARG C C 9 176.001 176.001 176.425 -0.424 25849 5588 1 18 . 1 1 9 9 ARG CA C 9 55.936 55.936 57.678 -1.742 25849 5589 1 18 . 1 1 9 9 ARG CB C 9 30.625 30.625 30.706 -0.080 25849 5590 1 18 . 1 1 10 10 ARG N N 10 123.297 123.297 115.814 7.483 25849 5591 1 18 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.648 -0.399 25849 5592 1 18 . 1 1 10 10 ARG C C 10 176.008 176.008 174.877 1.131 25849 5593 1 18 . 1 1 10 10 ARG CA C 10 55.866 55.866 54.873 0.993 25849 5594 1 18 . 1 1 10 10 ARG CB C 10 30.716 30.716 32.738 -2.022 25849 5595 1 18 . 1 1 11 11 ARG N N 11 123.308 123.308 119.670 3.638 25849 5596 1 18 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.110 0.202 25849 5597 1 18 . 1 1 11 11 ARG C C 11 176.115 176.115 175.984 0.131 25849 5598 1 18 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.863 -0.784 25849 5599 1 18 . 1 1 11 11 ARG CB C 11 30.783 30.783 30.523 0.260 25849 5600 1 18 . 1 1 12 12 THR N N 12 116.294 116.294 114.242 2.052 25849 5601 1 18 . 1 1 12 12 THR HA H 12 4.193 4.193 4.560 -0.367 25849 5602 1 18 . 1 1 12 12 THR C C 12 173.498 173.498 174.295 -0.797 25849 5603 1 18 . 1 1 12 12 THR CA C 12 61.491 61.491 60.935 0.556 25849 5604 1 18 . 1 1 12 12 THR CB C 12 69.706 69.706 70.743 -1.037 25849 5605 1 18 . 1 1 13 13 ALA N N 13 127.117 127.117 125.513 1.604 25849 5606 1 18 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.494 -0.273 25849 5607 1 18 . 1 1 13 13 ALA C C 13 176.874 176.874 176.397 0.477 25849 5608 1 18 . 1 1 13 13 ALA CA C 13 52.023 52.023 53.035 -1.012 25849 5609 1 18 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.449 1.183 25849 5610 1 18 . 1 1 14 14 PHE N N 14 118.798 118.798 123.601 -4.803 25849 5611 1 18 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.261 -0.369 25849 5612 1 18 . 1 1 14 14 PHE C C 14 176.653 176.653 176.634 0.019 25849 5613 1 18 . 1 1 14 14 PHE CA C 14 56.134 56.134 56.145 -0.011 25849 5614 1 18 . 1 1 14 14 PHE CB C 14 40.512 40.512 42.837 -2.325 25849 5615 1 18 . 1 1 15 15 THR N N 15 113.522 113.522 114.135 -0.613 25849 5616 1 18 . 1 1 15 15 THR HA H 15 4.426 4.426 4.832 -0.406 25849 5617 1 18 . 1 1 15 15 THR C C 15 175.371 175.371 175.508 -0.137 25849 5618 1 18 . 1 1 15 15 THR CA C 15 60.434 60.434 59.787 0.647 25849 5619 1 18 . 1 1 15 15 THR CB C 15 70.826 70.826 70.736 0.090 25849 5620 1 18 . 1 1 16 16 SER N N 16 116.611 116.611 118.541 -1.930 25849 5621 1 18 . 1 1 16 16 SER HA H 16 3.862 3.862 4.174 -0.312 25849 5622 1 18 . 1 1 16 16 SER C C 16 176.742 176.742 176.579 0.163 25849 5623 1 18 . 1 1 16 16 SER CA C 16 62.165 62.165 61.435 0.730 25849 5624 1 18 . 1 1 16 16 SER CB C 16 61.908 61.908 62.674 -0.766 25849 5625 1 18 . 1 1 17 17 GLU N N 17 120.901 120.901 121.691 -0.790 25849 5626 1 18 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.954 -0.011 25849 5627 1 18 . 1 1 17 17 GLU C C 17 178.802 178.802 178.996 -0.194 25849 5628 1 18 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.572 0.509 25849 5629 1 18 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.187 -0.081 25849 5630 1 18 . 1 1 18 18 GLN N N 18 118.523 118.523 118.269 0.254 25849 5631 1 18 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.999 -0.253 25849 5632 1 18 . 1 1 18 18 GLN C C 18 177.493 177.493 178.459 -0.966 25849 5633 1 18 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.600 0.284 25849 5634 1 18 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.779 -0.721 25849 5635 1 18 . 1 1 19 19 LEU N N 19 117.349 117.349 118.878 -1.529 25849 5636 1 18 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.548 -0.016 25849 5637 1 18 . 1 1 19 19 LEU C C 19 178.289 178.289 178.373 -0.084 25849 5638 1 18 . 1 1 19 19 LEU CA C 19 57.719 57.719 57.480 0.239 25849 5639 1 18 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.596 0.394 25849 5640 1 18 . 1 1 20 20 LEU N N 20 118.800 118.800 119.727 -0.927 25849 5641 1 18 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.963 -0.091 25849 5642 1 18 . 1 1 20 20 LEU C C 20 179.808 179.808 178.689 1.119 25849 5643 1 18 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.761 0.571 25849 5644 1 18 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.831 0.173 25849 5645 1 18 . 1 1 21 21 GLU N N 21 118.036 118.036 118.667 -0.631 25849 5646 1 18 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.004 0.033 25849 5647 1 18 . 1 1 21 21 GLU C C 21 175.996 175.996 179.362 -3.366 25849 5648 1 18 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.939 -0.529 25849 5649 1 18 . 1 1 21 21 GLU CB C 21 29.813 29.813 28.952 0.861 25849 5650 1 18 . 1 1 22 22 LEU N N 22 121.854 121.854 118.280 3.574 25849 5651 1 18 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.978 -0.492 25849 5652 1 18 . 1 1 22 22 LEU CA C 22 58.255 58.255 56.835 1.420 25849 5653 1 18 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.927 -2.492 25849 5654 1 18 . 1 1 23 23 ARG N N 23 116.956 116.956 117.067 -0.111 25849 5655 1 18 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.317 -0.392 25849 5656 1 18 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.349 1.799 25849 5657 1 18 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.417 -0.406 25849 5658 1 18 . 1 1 24 24 LYS N N 24 121.392 121.392 121.400 -0.008 25849 5659 1 18 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.103 -0.122 25849 5660 1 18 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.846 -0.137 25849 5661 1 18 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.193 0.249 25849 5662 1 18 . 1 1 25 25 GLU N N 25 119.698 119.698 116.978 2.720 25849 5663 1 18 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.319 -0.079 25849 5664 1 18 . 1 1 25 25 GLU C C 25 178.495 178.495 177.355 1.140 25849 5665 1 18 . 1 1 25 25 GLU CA C 25 58.763 58.763 57.988 0.775 25849 5666 1 18 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.317 -0.602 25849 5667 1 18 . 1 1 26 26 PHE N N 26 121.062 121.062 119.893 1.169 25849 5668 1 18 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.390 0.241 25849 5669 1 18 . 1 1 26 26 PHE C C 26 176.071 176.071 176.926 -0.855 25849 5670 1 18 . 1 1 26 26 PHE CA C 26 59.830 59.830 59.687 0.143 25849 5671 1 18 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.547 0.034 25849 5672 1 18 . 1 1 27 27 HIS N N 27 115.944 115.944 118.380 -2.436 25849 5673 1 18 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.369 -0.335 25849 5674 1 18 . 1 1 27 27 HIS CA C 27 58.231 58.231 59.350 -1.119 25849 5675 1 18 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.518 -1.422 25849 5676 1 18 . 1 1 28 28 CYS N N 28 113.854 113.854 116.529 -2.675 25849 5677 1 18 . 1 1 28 28 CYS C C 28 175.913 175.913 173.430 2.483 25849 5678 1 18 . 1 1 28 28 CYS CA C 28 51.047 51.047 57.986 -6.939 25849 5679 1 18 . 1 1 28 28 CYS CB C 28 49.898 49.898 28.109 21.789 25849 5680 1 18 . 1 1 29 29 LYS N N 29 121.350 121.350 123.280 -1.930 25849 5681 1 18 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.336 -0.072 25849 5682 1 18 . 1 1 29 29 LYS C C 29 172.365 172.365 176.761 -4.396 25849 5683 1 18 . 1 1 29 29 LYS CA C 29 56.072 56.072 56.220 -0.148 25849 5684 1 18 . 1 1 29 29 LYS CB C 29 35.073 35.073 34.662 0.411 25849 5685 1 18 . 1 1 30 30 LYS N N 30 117.744 117.744 123.283 -5.539 25849 5686 1 18 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.103 -0.387 25849 5687 1 18 . 1 1 30 30 LYS C C 30 174.932 174.932 175.486 -0.554 25849 5688 1 18 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.758 -1.830 25849 5689 1 18 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.231 0.317 25849 5690 1 18 . 1 1 31 31 TYR N N 31 113.437 113.437 113.423 0.014 25849 5691 1 18 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.609 -0.109 25849 5692 1 18 . 1 1 31 31 TYR CA C 31 56.394 56.394 55.942 0.452 25849 5693 1 18 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.162 1.999 25849 5694 1 18 . 1 1 32 32 LEU N N 32 122.416 122.416 123.050 -0.634 25849 5695 1 18 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.557 0.064 25849 5696 1 18 . 1 1 32 32 LEU C C 32 177.448 177.448 177.437 0.011 25849 5697 1 18 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.281 -1.496 25849 5698 1 18 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.185 1.514 25849 5699 1 18 . 1 1 33 33 SER N N 33 119.021 119.021 118.287 0.734 25849 5700 1 18 . 1 1 33 33 SER HA H 33 4.495 4.495 4.609 -0.114 25849 5701 1 18 . 1 1 33 33 SER C C 33 174.599 174.599 175.970 -1.371 25849 5702 1 18 . 1 1 33 33 SER CA C 33 56.591 56.591 58.014 -1.423 25849 5703 1 18 . 1 1 33 33 SER CB C 33 64.944 64.944 64.191 0.753 25849 5704 1 18 . 1 1 34 34 LEU N N 34 121.555 121.555 123.740 -2.185 25849 5705 1 18 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.197 -0.291 25849 5706 1 18 . 1 1 34 34 LEU C C 34 179.869 179.869 179.503 0.366 25849 5707 1 18 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.478 0.440 25849 5708 1 18 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.910 0.475 25849 5709 1 18 . 1 1 35 35 THR N N 35 113.629 113.629 114.465 -0.836 25849 5710 1 18 . 1 1 35 35 THR HA H 35 3.861 3.861 4.078 -0.217 25849 5711 1 18 . 1 1 35 35 THR C C 35 176.846 176.846 176.293 0.553 25849 5712 1 18 . 1 1 35 35 THR CA C 35 65.790 65.790 66.013 -0.223 25849 5713 1 18 . 1 1 35 35 THR CB C 35 68.421 68.421 68.600 -0.180 25849 5714 1 18 . 1 1 36 36 GLU N N 36 122.918 122.918 121.498 1.420 25849 5715 1 18 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.038 -0.127 25849 5716 1 18 . 1 1 36 36 GLU C C 36 178.858 178.858 178.897 -0.039 25849 5717 1 18 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.547 -0.700 25849 5718 1 18 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.777 1.761 25849 5719 1 18 . 1 1 37 37 ARG N N 37 119.042 119.042 117.762 1.280 25849 5720 1 18 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.911 -0.227 25849 5721 1 18 . 1 1 37 37 ARG C C 37 177.748 177.748 178.697 -0.949 25849 5722 1 18 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.042 0.994 25849 5723 1 18 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.163 0.649 25849 5724 1 18 . 1 1 38 38 SER N N 38 113.447 113.447 114.813 -1.366 25849 5725 1 18 . 1 1 38 38 SER HA H 38 4.004 4.004 4.213 -0.209 25849 5726 1 18 . 1 1 38 38 SER C C 38 176.517 176.517 176.276 0.241 25849 5727 1 18 . 1 1 38 38 SER CA C 38 61.804 61.804 61.406 0.398 25849 5728 1 18 . 1 1 38 38 SER CB C 38 62.810 62.810 63.062 -0.252 25849 5729 1 18 . 1 1 39 39 GLN N N 39 121.739 121.739 121.251 0.488 25849 5730 1 18 . 1 1 39 39 GLN HA H 39 4.047 4.047 3.989 0.058 25849 5731 1 18 . 1 1 39 39 GLN C C 39 178.889 178.889 178.600 0.289 25849 5732 1 18 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.328 -0.238 25849 5733 1 18 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.752 -0.437 25849 5734 1 18 . 1 1 40 40 ILE N N 40 121.471 121.471 118.260 3.211 25849 5735 1 18 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.904 -0.067 25849 5736 1 18 . 1 1 40 40 ILE C C 40 176.844 176.844 177.561 -0.717 25849 5737 1 18 . 1 1 40 40 ILE CA C 40 64.398 64.398 62.702 1.696 25849 5738 1 18 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.526 1.649 25849 5739 1 18 . 1 1 41 41 ALA N N 41 121.897 121.897 122.301 -0.404 25849 5740 1 18 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.070 -0.476 25849 5741 1 18 . 1 1 41 41 ALA C C 41 179.238 179.238 179.199 0.039 25849 5742 1 18 . 1 1 41 41 ALA CA C 41 55.926 55.926 55.075 0.851 25849 5743 1 18 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.466 -0.882 25849 5744 1 18 . 1 1 42 42 HIS N N 42 114.139 114.139 119.928 -5.789 25849 5745 1 18 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.221 0.102 25849 5746 1 18 . 1 1 42 42 HIS C C 42 178.003 178.003 177.994 0.009 25849 5747 1 18 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.814 -1.069 25849 5748 1 18 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.842 -1.080 25849 5749 1 18 . 1 1 43 43 ALA N N 43 121.931 121.931 121.815 0.116 25849 5750 1 18 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.183 -0.191 25849 5751 1 18 . 1 1 43 43 ALA C C 43 179.235 179.235 177.753 1.482 25849 5752 1 18 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.573 0.338 25849 5753 1 18 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.752 -0.349 25849 5754 1 18 . 1 1 44 44 LEU N N 44 114.067 114.067 115.040 -0.973 25849 5755 1 18 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.451 -0.212 25849 5756 1 18 . 1 1 44 44 LEU C C 44 175.891 175.891 175.954 -0.063 25849 5757 1 18 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.875 0.361 25849 5758 1 18 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.843 -0.263 25849 5759 1 18 . 1 1 45 45 LYS N N 45 116.940 116.940 117.973 -1.033 25849 5760 1 18 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.797 0.080 25849 5761 1 18 . 1 1 45 45 LYS C C 45 175.207 175.207 175.763 -0.556 25849 5762 1 18 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.458 -0.204 25849 5763 1 18 . 1 1 45 45 LYS CB C 45 28.397 28.397 31.198 -2.801 25849 5764 1 18 . 1 1 46 46 LEU N N 46 119.505 119.505 118.728 0.777 25849 5765 1 18 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.365 0.342 25849 5766 1 18 . 1 1 46 46 LEU C C 46 175.958 175.958 175.625 0.333 25849 5767 1 18 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.677 -1.338 25849 5768 1 18 . 1 1 46 46 LEU CB C 46 47.312 47.312 44.094 3.218 25849 5769 1 18 . 1 1 47 47 SER N N 47 114.844 114.844 115.533 -0.689 25849 5770 1 18 . 1 1 47 47 SER HA H 47 4.641 4.641 4.525 0.116 25849 5771 1 18 . 1 1 47 47 SER C C 47 175.899 175.899 175.312 0.587 25849 5772 1 18 . 1 1 47 47 SER CA C 47 56.675 56.675 58.052 -1.377 25849 5773 1 18 . 1 1 47 47 SER CB C 47 64.911 64.911 63.998 0.913 25849 5774 1 18 . 1 1 48 48 GLU N N 48 122.920 122.920 125.321 -2.401 25849 5775 1 18 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.098 -0.503 25849 5776 1 18 . 1 1 48 48 GLU C C 48 178.430 178.430 178.686 -0.256 25849 5777 1 18 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.109 1.006 25849 5778 1 18 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.763 -0.753 25849 5779 1 18 . 1 1 49 49 VAL N N 49 118.053 118.053 119.017 -0.964 25849 5780 1 18 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.743 -0.053 25849 5781 1 18 . 1 1 49 49 VAL C C 49 177.001 177.001 178.340 -1.339 25849 5782 1 18 . 1 1 49 49 VAL CA C 49 65.753 65.753 65.693 0.060 25849 5783 1 18 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.470 0.339 25849 5784 1 18 . 1 1 50 50 GLN N N 50 119.121 119.121 118.857 0.264 25849 5785 1 18 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.220 -0.146 25849 5786 1 18 . 1 1 50 50 GLN C C 50 179.480 179.480 178.994 0.486 25849 5787 1 18 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.064 0.190 25849 5788 1 18 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.589 1.068 25849 5789 1 18 . 1 1 51 51 VAL N N 51 118.983 118.983 120.350 -1.367 25849 5790 1 18 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.051 -0.407 25849 5791 1 18 . 1 1 51 51 VAL C C 51 176.652 176.652 177.845 -1.193 25849 5792 1 18 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.370 0.051 25849 5793 1 18 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.454 0.706 25849 5794 1 18 . 1 1 52 52 LYS N N 52 120.962 120.962 120.560 0.402 25849 5795 1 18 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.121 0.046 25849 5796 1 18 . 1 1 52 52 LYS C C 52 179.592 179.592 179.360 0.232 25849 5797 1 18 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.684 0.264 25849 5798 1 18 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.061 1.230 25849 5799 1 18 . 1 1 53 53 ILE N N 53 120.085 120.085 120.853 -0.768 25849 5800 1 18 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.972 -0.237 25849 5801 1 18 . 1 1 53 53 ILE C C 53 177.452 177.452 177.931 -0.479 25849 5802 1 18 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.863 -0.637 25849 5803 1 18 . 1 1 53 53 ILE CB C 53 38.026 38.026 38.166 -0.140 25849 5804 1 18 . 1 1 54 54 TRP N N 54 122.169 122.169 122.031 0.138 25849 5805 1 18 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.040 -0.053 25849 5806 1 18 . 1 1 54 54 TRP C C 54 179.143 179.143 178.243 0.900 25849 5807 1 18 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.895 1.697 25849 5808 1 18 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.499 -0.559 25849 5809 1 18 . 1 1 55 55 PHE N N 55 118.530 118.530 117.875 0.655 25849 5810 1 18 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.232 -0.578 25849 5811 1 18 . 1 1 55 55 PHE C C 55 177.833 177.833 177.991 -0.158 25849 5812 1 18 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.312 -0.110 25849 5813 1 18 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.866 0.673 25849 5814 1 18 . 1 1 56 56 GLN N N 56 118.313 118.313 117.709 0.604 25849 5815 1 18 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.981 -0.092 25849 5816 1 18 . 1 1 56 56 GLN C C 56 179.052 179.052 178.495 0.557 25849 5817 1 18 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.954 0.531 25849 5818 1 18 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.048 0.521 25849 5819 1 18 . 1 1 57 57 ASN N N 57 119.607 119.607 118.465 1.142 25849 5820 1 18 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.403 -0.122 25849 5821 1 18 . 1 1 57 57 ASN C C 57 177.385 177.385 177.501 -0.116 25849 5822 1 18 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.035 -0.643 25849 5823 1 18 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.295 -0.462 25849 5824 1 18 . 1 1 58 58 GLU N N 58 124.516 124.516 120.977 3.539 25849 5825 1 18 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.856 -0.495 25849 5826 1 18 . 1 1 58 58 GLU C C 58 179.522 179.522 178.540 0.982 25849 5827 1 18 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.453 -0.166 25849 5828 1 18 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.109 -1.577 25849 5829 1 18 . 1 1 59 59 ARG N N 59 118.692 118.692 119.528 -0.836 25849 5830 1 18 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.535 -0.395 25849 5831 1 18 . 1 1 59 59 ARG C C 59 178.813 178.813 178.746 0.067 25849 5832 1 18 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.315 1.598 25849 5833 1 18 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.371 1.320 25849 5834 1 18 . 1 1 60 60 ALA N N 60 120.662 120.662 122.165 -1.503 25849 5835 1 18 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.286 -0.203 25849 5836 1 18 . 1 1 60 60 ALA C C 60 179.753 179.753 179.023 0.730 25849 5837 1 18 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.933 -0.133 25849 5838 1 18 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.425 -0.527 25849 5839 1 18 . 1 1 61 61 LYS N N 61 118.620 118.620 119.122 -0.502 25849 5840 1 18 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.921 -0.080 25849 5841 1 18 . 1 1 61 61 LYS C C 61 177.994 177.994 178.549 -0.555 25849 5842 1 18 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.917 -0.145 25849 5843 1 18 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.399 0.096 25849 5844 1 18 . 1 1 62 62 TRP N N 62 120.517 120.517 119.990 0.527 25849 5845 1 18 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.382 -0.055 25849 5846 1 18 . 1 1 62 62 TRP C C 62 177.118 177.118 178.503 -1.385 25849 5847 1 18 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.876 -1.540 25849 5848 1 18 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.028 -0.909 25849 5849 1 18 . 1 1 63 63 LYS N N 63 119.074 119.074 119.977 -0.903 25849 5850 1 18 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.249 -0.454 25849 5851 1 18 . 1 1 63 63 LYS C C 63 177.429 177.429 179.350 -1.921 25849 5852 1 18 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.102 -1.013 25849 5853 1 18 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.079 0.666 25849 5854 1 18 . 1 1 64 64 ARG N N 64 118.825 118.825 119.655 -0.830 25849 5855 1 18 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.066 0.018 25849 5856 1 18 . 1 1 64 64 ARG C C 64 177.231 177.231 177.764 -0.533 25849 5857 1 18 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.797 -1.327 25849 5858 1 18 . 1 1 64 64 ARG CB C 64 30.278 30.278 29.669 0.609 25849 5859 1 18 . 1 1 65 65 ILE N N 65 120.523 120.523 118.168 2.355 25849 5860 1 18 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.904 -0.031 25849 5861 1 18 . 1 1 65 65 ILE C C 65 177.198 177.198 176.562 0.636 25849 5862 1 18 . 1 1 65 65 ILE CA C 65 62.392 62.392 61.841 0.551 25849 5863 1 18 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.075 1.323 25849 5864 1 18 . 1 1 66 66 LYS N N 66 123.201 123.201 121.288 1.913 25849 5865 1 18 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.228 -0.155 25849 5866 1 18 . 1 1 66 66 LYS C C 66 176.387 176.387 176.396 -0.009 25849 5867 1 18 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.385 0.240 25849 5868 1 18 . 1 1 66 66 LYS CB C 66 32.364 32.364 29.845 2.519 25849 5869 1 18 . 1 1 67 67 ALA N N 67 123.500 123.500 124.448 -0.948 25849 5870 1 18 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.062 0.140 25849 5871 1 18 . 1 1 67 67 ALA C C 67 177.870 177.870 178.697 -0.827 25849 5872 1 18 . 1 1 67 67 ALA CA C 67 52.583 52.583 54.674 -2.091 25849 5873 1 18 . 1 1 67 67 ALA CB C 67 19.086 19.086 18.968 0.118 25849 5874 1 18 . 1 1 68 68 GLY N N 68 107.120 107.120 105.806 1.314 25849 5875 1 18 . 1 1 68 68 GLY C C 68 173.688 173.688 174.163 -0.475 25849 5876 1 18 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.068 0.280 25849 5877 1 18 . 1 1 69 69 ASN N N 69 118.671 118.671 120.444 -1.773 25849 5878 1 18 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.744 -0.061 25849 5879 1 18 . 1 1 69 69 ASN C C 69 174.792 174.792 175.866 -1.074 25849 5880 1 18 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.292 -0.284 25849 5881 1 18 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.897 -0.833 25849 5882 1 18 . 1 1 70 70 VAL N N 70 119.480 119.480 120.285 -0.805 25849 5883 1 18 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.837 0.293 25849 5884 1 18 . 1 1 70 70 VAL C C 70 175.126 175.126 176.504 -1.378 25849 5885 1 18 . 1 1 70 70 VAL CA C 70 62.091 62.091 64.048 -1.957 25849 5886 1 18 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.738 1.125 25849 5887 1 19 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.277 0.088 25849 5888 1 19 . 1 1 3 3 PRO C C 3 177.410 177.410 176.162 1.248 25849 5889 1 19 . 1 1 3 3 PRO CA C 3 63.261 63.261 63.265 -0.004 25849 5890 1 19 . 1 1 3 3 PRO CB C 3 31.782 31.782 31.591 0.191 25849 5891 1 19 . 1 1 4 4 GLY N N 4 109.481 109.481 112.586 -3.105 25849 5892 1 19 . 1 1 4 4 GLY C C 4 173.688 173.688 173.899 -0.211 25849 5893 1 19 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.723 -0.648 25849 5894 1 19 . 1 1 5 5 GLY N N 5 108.665 108.665 109.688 -1.023 25849 5895 1 19 . 1 1 5 5 GLY C C 5 174.231 174.231 174.111 0.120 25849 5896 1 19 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.030 0.352 25849 5897 1 19 . 1 1 6 6 LYS N N 6 120.860 120.860 120.941 -0.081 25849 5898 1 19 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.622 -0.366 25849 5899 1 19 . 1 1 6 6 LYS C C 6 176.715 176.715 176.825 -0.110 25849 5900 1 19 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.437 0.855 25849 5901 1 19 . 1 1 6 6 LYS CB C 6 32.806 32.806 34.191 -1.385 25849 5902 1 19 . 1 1 7 7 SER N N 7 116.762 116.762 116.588 0.174 25849 5903 1 19 . 1 1 7 7 SER HA H 7 4.344 4.344 4.534 -0.190 25849 5904 1 19 . 1 1 7 7 SER C C 7 174.437 174.437 174.481 -0.044 25849 5905 1 19 . 1 1 7 7 SER CA C 7 58.373 58.373 59.431 -1.058 25849 5906 1 19 . 1 1 7 7 SER CB C 7 63.557 63.557 63.745 -0.188 25849 5907 1 19 . 1 1 8 8 ARG N N 8 123.315 123.315 117.823 5.492 25849 5908 1 19 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.092 0.171 25849 5909 1 19 . 1 1 8 8 ARG C C 8 176.017 176.017 176.250 -0.233 25849 5910 1 19 . 1 1 8 8 ARG CA C 8 55.951 55.951 57.403 -1.452 25849 5911 1 19 . 1 1 8 8 ARG CB C 8 30.533 30.533 28.649 1.884 25849 5912 1 19 . 1 1 9 9 ARG N N 9 122.423 122.423 119.548 2.875 25849 5913 1 19 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.373 -0.145 25849 5914 1 19 . 1 1 9 9 ARG C C 9 176.001 176.001 176.521 -0.520 25849 5915 1 19 . 1 1 9 9 ARG CA C 9 55.936 55.936 56.913 -0.977 25849 5916 1 19 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.703 -1.078 25849 5917 1 19 . 1 1 10 10 ARG N N 10 123.297 123.297 121.575 1.722 25849 5918 1 19 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.529 -0.280 25849 5919 1 19 . 1 1 10 10 ARG C C 10 176.008 176.008 174.634 1.374 25849 5920 1 19 . 1 1 10 10 ARG CA C 10 55.866 55.866 55.669 0.197 25849 5921 1 19 . 1 1 10 10 ARG CB C 10 30.716 30.716 29.956 0.760 25849 5922 1 19 . 1 1 11 11 ARG N N 11 123.308 123.308 120.008 3.300 25849 5923 1 19 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.272 0.040 25849 5924 1 19 . 1 1 11 11 ARG C C 11 176.115 176.115 175.370 0.745 25849 5925 1 19 . 1 1 11 11 ARG CA C 11 56.079 56.079 56.032 0.047 25849 5926 1 19 . 1 1 11 11 ARG CB C 11 30.783 30.783 32.345 -1.562 25849 5927 1 19 . 1 1 12 12 THR N N 12 116.294 116.294 116.053 0.241 25849 5928 1 19 . 1 1 12 12 THR HA H 12 4.193 4.193 4.490 -0.297 25849 5929 1 19 . 1 1 12 12 THR C C 12 173.498 173.498 176.200 -2.702 25849 5930 1 19 . 1 1 12 12 THR CA C 12 61.491 61.491 61.194 0.297 25849 5931 1 19 . 1 1 12 12 THR CB C 12 69.706 69.706 69.693 0.013 25849 5932 1 19 . 1 1 13 13 ALA N N 13 127.117 127.117 124.589 2.528 25849 5933 1 19 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.413 -0.192 25849 5934 1 19 . 1 1 13 13 ALA C C 13 176.874 176.874 176.515 0.359 25849 5935 1 19 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.022 0.001 25849 5936 1 19 . 1 1 13 13 ALA CB C 13 19.632 19.632 17.625 2.007 25849 5937 1 19 . 1 1 14 14 PHE N N 14 118.798 118.798 121.462 -2.664 25849 5938 1 19 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.865 0.027 25849 5939 1 19 . 1 1 14 14 PHE C C 14 176.653 176.653 176.438 0.215 25849 5940 1 19 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.676 0.458 25849 5941 1 19 . 1 1 14 14 PHE CB C 14 40.512 40.512 38.940 1.572 25849 5942 1 19 . 1 1 15 15 THR N N 15 113.522 113.522 115.831 -2.309 25849 5943 1 19 . 1 1 15 15 THR HA H 15 4.426 4.426 4.377 0.050 25849 5944 1 19 . 1 1 15 15 THR C C 15 175.371 175.371 176.015 -0.644 25849 5945 1 19 . 1 1 15 15 THR CA C 15 60.434 60.434 61.607 -1.173 25849 5946 1 19 . 1 1 15 15 THR CB C 15 70.826 70.826 69.929 0.897 25849 5947 1 19 . 1 1 16 16 SER N N 16 116.611 116.611 116.620 -0.009 25849 5948 1 19 . 1 1 16 16 SER HA H 16 3.862 3.862 4.039 -0.177 25849 5949 1 19 . 1 1 16 16 SER C C 16 176.742 176.742 176.598 0.144 25849 5950 1 19 . 1 1 16 16 SER CA C 16 62.165 62.165 61.763 0.402 25849 5951 1 19 . 1 1 16 16 SER CB C 16 61.908 61.908 62.763 -0.855 25849 5952 1 19 . 1 1 17 17 GLU N N 17 120.901 120.901 120.639 0.262 25849 5953 1 19 . 1 1 17 17 GLU HA H 17 3.943 3.943 3.899 0.044 25849 5954 1 19 . 1 1 17 17 GLU C C 17 178.802 178.802 178.565 0.237 25849 5955 1 19 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.321 0.760 25849 5956 1 19 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.208 -0.102 25849 5957 1 19 . 1 1 18 18 GLN N N 18 118.523 118.523 117.744 0.779 25849 5958 1 19 . 1 1 18 18 GLN HA H 18 3.746 3.746 3.871 -0.125 25849 5959 1 19 . 1 1 18 18 GLN C C 18 177.493 177.493 178.306 -0.813 25849 5960 1 19 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.165 0.719 25849 5961 1 19 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.482 -0.424 25849 5962 1 19 . 1 1 19 19 LEU N N 19 117.349 117.349 118.491 -1.142 25849 5963 1 19 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.791 -0.259 25849 5964 1 19 . 1 1 19 19 LEU C C 19 178.289 178.289 178.207 0.082 25849 5965 1 19 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.108 1.611 25849 5966 1 19 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.739 0.251 25849 5967 1 19 . 1 1 20 20 LEU N N 20 118.800 118.800 120.865 -2.065 25849 5968 1 19 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.047 -0.175 25849 5969 1 19 . 1 1 20 20 LEU C C 20 179.808 179.808 178.918 0.890 25849 5970 1 19 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.818 0.514 25849 5971 1 19 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.310 0.694 25849 5972 1 19 . 1 1 21 21 GLU N N 21 118.036 118.036 117.978 0.058 25849 5973 1 19 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.021 0.016 25849 5974 1 19 . 1 1 21 21 GLU C C 21 175.996 175.996 179.293 -3.297 25849 5975 1 19 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.088 -0.678 25849 5976 1 19 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.046 0.767 25849 5977 1 19 . 1 1 22 22 LEU N N 22 121.854 121.854 118.722 3.132 25849 5978 1 19 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.914 -0.428 25849 5979 1 19 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.876 0.379 25849 5980 1 19 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.211 -2.776 25849 5981 1 19 . 1 1 23 23 ARG N N 23 116.956 116.956 115.845 1.111 25849 5982 1 19 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.072 -0.147 25849 5983 1 19 . 1 1 23 23 ARG CA C 23 60.148 60.148 57.733 2.415 25849 5984 1 19 . 1 1 23 23 ARG CB C 23 30.011 30.011 29.962 0.049 25849 5985 1 19 . 1 1 24 24 LYS N N 24 121.392 121.392 120.153 1.239 25849 5986 1 19 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.210 -0.229 25849 5987 1 19 . 1 1 24 24 LYS CA C 24 59.709 59.709 58.364 1.345 25849 5988 1 19 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.339 0.103 25849 5989 1 19 . 1 1 25 25 GLU N N 25 119.698 119.698 120.707 -1.009 25849 5990 1 19 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.146 0.094 25849 5991 1 19 . 1 1 25 25 GLU C C 25 178.495 178.495 179.027 -0.532 25849 5992 1 19 . 1 1 25 25 GLU CA C 25 58.763 58.763 59.786 -1.023 25849 5993 1 19 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.725 -1.010 25849 5994 1 19 . 1 1 26 26 PHE N N 26 121.062 121.062 118.697 2.365 25849 5995 1 19 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.334 0.297 25849 5996 1 19 . 1 1 26 26 PHE C C 26 176.071 176.071 176.010 0.061 25849 5997 1 19 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.371 -0.541 25849 5998 1 19 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.180 0.401 25849 5999 1 19 . 1 1 27 27 HIS N N 27 115.944 115.944 114.296 1.648 25849 6000 1 19 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.339 -0.305 25849 6001 1 19 . 1 1 27 27 HIS CA C 27 58.231 58.231 56.477 1.754 25849 6002 1 19 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.524 -1.428 25849 6003 1 19 . 1 1 28 28 CYS N N 28 113.854 113.854 114.788 -0.934 25849 6004 1 19 . 1 1 28 28 CYS C C 28 175.913 175.913 174.923 0.990 25849 6005 1 19 . 1 1 28 28 CYS CA C 28 51.047 51.047 58.353 -7.306 25849 6006 1 19 . 1 1 28 28 CYS CB C 28 49.898 49.898 30.480 19.418 25849 6007 1 19 . 1 1 29 29 LYS N N 29 121.350 121.350 121.119 0.231 25849 6008 1 19 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.457 -0.193 25849 6009 1 19 . 1 1 29 29 LYS C C 29 172.365 172.365 176.106 -3.741 25849 6010 1 19 . 1 1 29 29 LYS CA C 29 56.072 56.072 54.624 1.448 25849 6011 1 19 . 1 1 29 29 LYS CB C 29 35.073 35.073 35.570 -0.497 25849 6012 1 19 . 1 1 30 30 LYS N N 30 117.744 117.744 119.635 -1.891 25849 6013 1 19 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.110 -0.394 25849 6014 1 19 . 1 1 30 30 LYS C C 30 174.932 174.932 176.207 -1.275 25849 6015 1 19 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.755 -1.827 25849 6016 1 19 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.454 0.094 25849 6017 1 19 . 1 1 31 31 TYR N N 31 113.437 113.437 116.616 -3.179 25849 6018 1 19 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.787 -0.287 25849 6019 1 19 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.506 -0.112 25849 6020 1 19 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.600 1.561 25849 6021 1 19 . 1 1 32 32 LEU N N 32 122.416 122.416 119.244 3.172 25849 6022 1 19 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.777 -0.156 25849 6023 1 19 . 1 1 32 32 LEU C C 32 177.448 177.448 175.973 1.475 25849 6024 1 19 . 1 1 32 32 LEU CA C 32 52.785 52.785 53.396 -0.611 25849 6025 1 19 . 1 1 32 32 LEU CB C 32 44.699 44.699 43.618 1.081 25849 6026 1 19 . 1 1 33 33 SER N N 33 119.021 119.021 114.997 4.024 25849 6027 1 19 . 1 1 33 33 SER HA H 33 4.495 4.495 4.709 -0.214 25849 6028 1 19 . 1 1 33 33 SER C C 33 174.599 174.599 175.344 -0.745 25849 6029 1 19 . 1 1 33 33 SER CA C 33 56.591 56.591 57.273 -0.682 25849 6030 1 19 . 1 1 33 33 SER CB C 33 64.944 64.944 66.363 -1.419 25849 6031 1 19 . 1 1 34 34 LEU N N 34 121.555 121.555 123.897 -2.342 25849 6032 1 19 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.105 -0.199 25849 6033 1 19 . 1 1 34 34 LEU C C 34 179.869 179.869 179.047 0.822 25849 6034 1 19 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.887 0.031 25849 6035 1 19 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.551 0.834 25849 6036 1 19 . 1 1 35 35 THR N N 35 113.629 113.629 112.849 0.780 25849 6037 1 19 . 1 1 35 35 THR HA H 35 3.861 3.861 4.071 -0.210 25849 6038 1 19 . 1 1 35 35 THR C C 35 176.846 176.846 176.631 0.215 25849 6039 1 19 . 1 1 35 35 THR CA C 35 65.790 65.790 66.290 -0.500 25849 6040 1 19 . 1 1 35 35 THR CB C 35 68.421 68.421 68.280 0.141 25849 6041 1 19 . 1 1 36 36 GLU N N 36 122.918 122.918 120.753 2.165 25849 6042 1 19 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.055 -0.144 25849 6043 1 19 . 1 1 36 36 GLU C C 36 178.858 178.858 178.937 -0.079 25849 6044 1 19 . 1 1 36 36 GLU CA C 36 58.847 58.847 58.946 -0.099 25849 6045 1 19 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.896 1.642 25849 6046 1 19 . 1 1 37 37 ARG N N 37 119.042 119.042 120.166 -1.124 25849 6047 1 19 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.925 -0.241 25849 6048 1 19 . 1 1 37 37 ARG C C 37 177.748 177.748 178.666 -0.918 25849 6049 1 19 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.471 0.565 25849 6050 1 19 . 1 1 37 37 ARG CB C 37 30.812 30.812 29.933 0.878 25849 6051 1 19 . 1 1 38 38 SER N N 38 113.447 113.447 114.490 -1.043 25849 6052 1 19 . 1 1 38 38 SER HA H 38 4.004 4.004 4.100 -0.096 25849 6053 1 19 . 1 1 38 38 SER C C 38 176.517 176.517 176.938 -0.421 25849 6054 1 19 . 1 1 38 38 SER CA C 38 61.804 61.804 61.419 0.385 25849 6055 1 19 . 1 1 38 38 SER CB C 38 62.810 62.810 62.941 -0.131 25849 6056 1 19 . 1 1 39 39 GLN N N 39 121.739 121.739 120.761 0.978 25849 6057 1 19 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.131 -0.084 25849 6058 1 19 . 1 1 39 39 GLN C C 39 178.889 178.889 178.368 0.521 25849 6059 1 19 . 1 1 39 39 GLN CA C 39 59.090 59.090 58.855 0.235 25849 6060 1 19 . 1 1 39 39 GLN CB C 39 28.315 28.315 29.038 -0.723 25849 6061 1 19 . 1 1 40 40 ILE N N 40 121.471 121.471 120.071 1.400 25849 6062 1 19 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.800 0.037 25849 6063 1 19 . 1 1 40 40 ILE C C 40 176.844 176.844 177.861 -1.017 25849 6064 1 19 . 1 1 40 40 ILE CA C 40 64.398 64.398 64.455 -0.057 25849 6065 1 19 . 1 1 40 40 ILE CB C 40 38.175 38.175 37.675 0.500 25849 6066 1 19 . 1 1 41 41 ALA N N 41 121.897 121.897 122.399 -0.502 25849 6067 1 19 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.039 -0.445 25849 6068 1 19 . 1 1 41 41 ALA C C 41 179.238 179.238 178.524 0.714 25849 6069 1 19 . 1 1 41 41 ALA CA C 41 55.926 55.926 55.089 0.837 25849 6070 1 19 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.103 -0.519 25849 6071 1 19 . 1 1 42 42 HIS N N 42 114.139 114.139 120.275 -6.136 25849 6072 1 19 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.230 0.093 25849 6073 1 19 . 1 1 42 42 HIS C C 42 178.003 178.003 177.871 0.132 25849 6074 1 19 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.938 -1.193 25849 6075 1 19 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.778 -1.016 25849 6076 1 19 . 1 1 43 43 ALA N N 43 121.931 121.931 122.013 -0.082 25849 6077 1 19 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.270 -0.278 25849 6078 1 19 . 1 1 43 43 ALA C C 43 179.235 179.235 178.251 0.984 25849 6079 1 19 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.761 0.150 25849 6080 1 19 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.758 -0.355 25849 6081 1 19 . 1 1 44 44 LEU N N 44 114.067 114.067 115.871 -1.804 25849 6082 1 19 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.420 -0.181 25849 6083 1 19 . 1 1 44 44 LEU C C 44 175.891 175.891 176.038 -0.147 25849 6084 1 19 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.947 0.289 25849 6085 1 19 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.398 0.182 25849 6086 1 19 . 1 1 45 45 LYS N N 45 116.940 116.940 117.405 -0.465 25849 6087 1 19 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.859 0.018 25849 6088 1 19 . 1 1 45 45 LYS C C 45 175.207 175.207 175.667 -0.460 25849 6089 1 19 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.178 0.076 25849 6090 1 19 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.097 -1.700 25849 6091 1 19 . 1 1 46 46 LEU N N 46 119.505 119.505 118.810 0.695 25849 6092 1 19 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.390 0.317 25849 6093 1 19 . 1 1 46 46 LEU C C 46 175.958 175.958 176.154 -0.196 25849 6094 1 19 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.423 -2.084 25849 6095 1 19 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.160 4.152 25849 6096 1 19 . 1 1 47 47 SER N N 47 114.844 114.844 115.243 -0.399 25849 6097 1 19 . 1 1 47 47 SER HA H 47 4.641 4.641 4.659 -0.018 25849 6098 1 19 . 1 1 47 47 SER C C 47 175.899 175.899 175.489 0.410 25849 6099 1 19 . 1 1 47 47 SER CA C 47 56.675 56.675 57.018 -0.343 25849 6100 1 19 . 1 1 47 47 SER CB C 47 64.911 64.911 64.398 0.513 25849 6101 1 19 . 1 1 48 48 GLU N N 48 122.920 122.920 122.797 0.123 25849 6102 1 19 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.025 -0.430 25849 6103 1 19 . 1 1 48 48 GLU C C 48 178.430 178.430 178.648 -0.218 25849 6104 1 19 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.004 1.111 25849 6105 1 19 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.423 -0.413 25849 6106 1 19 . 1 1 49 49 VAL N N 49 118.053 118.053 119.950 -1.897 25849 6107 1 19 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.768 -0.078 25849 6108 1 19 . 1 1 49 49 VAL C C 49 177.001 177.001 178.154 -1.153 25849 6109 1 19 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.378 -0.625 25849 6110 1 19 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.342 0.467 25849 6111 1 19 . 1 1 50 50 GLN N N 50 119.121 119.121 118.329 0.792 25849 6112 1 19 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.181 -0.107 25849 6113 1 19 . 1 1 50 50 GLN C C 50 179.480 179.480 179.187 0.293 25849 6114 1 19 . 1 1 50 50 GLN CA C 50 59.254 59.254 58.599 0.655 25849 6115 1 19 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.097 1.560 25849 6116 1 19 . 1 1 51 51 VAL N N 51 118.983 118.983 119.773 -0.790 25849 6117 1 19 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.014 -0.370 25849 6118 1 19 . 1 1 51 51 VAL C C 51 176.652 176.652 177.828 -1.176 25849 6119 1 19 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.901 0.520 25849 6120 1 19 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.300 0.860 25849 6121 1 19 . 1 1 52 52 LYS N N 52 120.962 120.962 120.811 0.151 25849 6122 1 19 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.179 -0.012 25849 6123 1 19 . 1 1 52 52 LYS C C 52 179.592 179.592 179.390 0.202 25849 6124 1 19 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.654 0.295 25849 6125 1 19 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.109 1.182 25849 6126 1 19 . 1 1 53 53 ILE N N 53 120.085 120.085 118.986 1.099 25849 6127 1 19 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.881 -0.146 25849 6128 1 19 . 1 1 53 53 ILE C C 53 177.452 177.452 177.739 -0.287 25849 6129 1 19 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.444 -0.218 25849 6130 1 19 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.784 0.242 25849 6131 1 19 . 1 1 54 54 TRP N N 54 122.169 122.169 122.048 0.121 25849 6132 1 19 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.057 -0.070 25849 6133 1 19 . 1 1 54 54 TRP C C 54 179.143 179.143 178.215 0.928 25849 6134 1 19 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.948 1.644 25849 6135 1 19 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.690 -0.750 25849 6136 1 19 . 1 1 55 55 PHE N N 55 118.530 118.530 117.067 1.463 25849 6137 1 19 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.530 -0.876 25849 6138 1 19 . 1 1 55 55 PHE C C 55 177.833 177.833 178.405 -0.572 25849 6139 1 19 . 1 1 55 55 PHE CA C 55 63.202 63.202 61.563 1.639 25849 6140 1 19 . 1 1 55 55 PHE CB C 55 39.539 39.539 39.175 0.364 25849 6141 1 19 . 1 1 56 56 GLN N N 56 118.313 118.313 118.384 -0.071 25849 6142 1 19 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.130 -0.241 25849 6143 1 19 . 1 1 56 56 GLN C C 56 179.052 179.052 178.220 0.832 25849 6144 1 19 . 1 1 56 56 GLN CA C 56 59.485 59.485 58.732 0.753 25849 6145 1 19 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.175 0.394 25849 6146 1 19 . 1 1 57 57 ASN N N 57 119.607 119.607 119.021 0.586 25849 6147 1 19 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.479 -0.198 25849 6148 1 19 . 1 1 57 57 ASN C C 57 177.385 177.385 177.193 0.192 25849 6149 1 19 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.060 -0.668 25849 6150 1 19 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.763 -0.930 25849 6151 1 19 . 1 1 58 58 GLU N N 58 124.516 124.516 120.608 3.908 25849 6152 1 19 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.709 -0.348 25849 6153 1 19 . 1 1 58 58 GLU C C 58 179.522 179.522 178.116 1.406 25849 6154 1 19 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.996 -0.709 25849 6155 1 19 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.790 -1.258 25849 6156 1 19 . 1 1 59 59 ARG N N 59 118.692 118.692 120.671 -1.979 25849 6157 1 19 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.405 -0.265 25849 6158 1 19 . 1 1 59 59 ARG C C 59 178.813 178.813 178.466 0.347 25849 6159 1 19 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.186 1.727 25849 6160 1 19 . 1 1 59 59 ARG CB C 59 31.691 31.691 29.925 1.766 25849 6161 1 19 . 1 1 60 60 ALA N N 60 120.662 120.662 120.931 -0.269 25849 6162 1 19 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.163 -0.080 25849 6163 1 19 . 1 1 60 60 ALA C C 60 179.753 179.753 179.169 0.584 25849 6164 1 19 . 1 1 60 60 ALA CA C 60 54.800 54.800 55.211 -0.411 25849 6165 1 19 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.264 -0.366 25849 6166 1 19 . 1 1 61 61 LYS N N 61 118.620 118.620 118.651 -0.031 25849 6167 1 19 . 1 1 61 61 LYS HA H 61 3.841 3.841 3.995 -0.154 25849 6168 1 19 . 1 1 61 61 LYS C C 61 177.994 177.994 178.470 -0.476 25849 6169 1 19 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.731 0.041 25849 6170 1 19 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.304 0.191 25849 6171 1 19 . 1 1 62 62 TRP N N 62 120.517 120.517 120.135 0.382 25849 6172 1 19 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.524 -0.197 25849 6173 1 19 . 1 1 62 62 TRP C C 62 177.118 177.118 178.483 -1.365 25849 6174 1 19 . 1 1 62 62 TRP CA C 62 59.336 59.336 59.920 -0.584 25849 6175 1 19 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.591 -1.472 25849 6176 1 19 . 1 1 63 63 LYS N N 63 119.074 119.074 119.284 -0.210 25849 6177 1 19 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.201 -0.406 25849 6178 1 19 . 1 1 63 63 LYS C C 63 177.429 177.429 179.472 -2.043 25849 6179 1 19 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.632 -1.543 25849 6180 1 19 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.105 0.640 25849 6181 1 19 . 1 1 64 64 ARG N N 64 118.825 118.825 118.680 0.145 25849 6182 1 19 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.202 -0.118 25849 6183 1 19 . 1 1 64 64 ARG C C 64 177.231 177.231 178.410 -1.179 25849 6184 1 19 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.295 -0.825 25849 6185 1 19 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.309 -0.031 25849 6186 1 19 . 1 1 65 65 ILE N N 65 120.523 120.523 119.070 1.453 25849 6187 1 19 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.827 0.046 25849 6188 1 19 . 1 1 65 65 ILE C C 65 177.198 177.198 176.779 0.419 25849 6189 1 19 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.055 0.337 25849 6190 1 19 . 1 1 65 65 ILE CB C 65 38.398 38.398 36.491 1.907 25849 6191 1 19 . 1 1 66 66 LYS N N 66 123.201 123.201 121.124 2.077 25849 6192 1 19 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.075 -0.002 25849 6193 1 19 . 1 1 66 66 LYS C C 66 176.387 176.387 176.899 -0.512 25849 6194 1 19 . 1 1 66 66 LYS CA C 66 56.625 56.625 58.868 -2.243 25849 6195 1 19 . 1 1 66 66 LYS CB C 66 32.364 32.364 32.011 0.353 25849 6196 1 19 . 1 1 67 67 ALA N N 67 123.500 123.500 118.985 4.515 25849 6197 1 19 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.586 -0.384 25849 6198 1 19 . 1 1 67 67 ALA C C 67 177.870 177.870 178.889 -1.019 25849 6199 1 19 . 1 1 67 67 ALA CA C 67 52.583 52.583 52.155 0.428 25849 6200 1 19 . 1 1 67 67 ALA CB C 67 19.086 19.086 20.039 -0.953 25849 6201 1 19 . 1 1 68 68 GLY N N 68 107.120 107.120 107.544 -0.424 25849 6202 1 19 . 1 1 68 68 GLY C C 68 173.688 173.688 173.680 0.008 25849 6203 1 19 . 1 1 68 68 GLY CA C 68 45.348 45.348 45.360 -0.012 25849 6204 1 19 . 1 1 69 69 ASN N N 69 118.671 118.671 117.499 1.172 25849 6205 1 19 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.729 -0.046 25849 6206 1 19 . 1 1 69 69 ASN C C 69 174.792 174.792 175.702 -0.910 25849 6207 1 19 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.462 -0.453 25849 6208 1 19 . 1 1 69 69 ASN CB C 69 39.064 39.064 40.112 -1.048 25849 6209 1 19 . 1 1 70 70 VAL N N 70 119.480 119.480 120.344 -0.864 25849 6210 1 19 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.200 -0.070 25849 6211 1 19 . 1 1 70 70 VAL C C 70 175.126 175.126 175.674 -0.548 25849 6212 1 19 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.964 -1.873 25849 6213 1 19 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.478 1.385 25849 6214 1 20 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.370 -0.005 25849 6215 1 20 . 1 1 3 3 PRO C C 3 177.410 177.410 176.385 1.025 25849 6216 1 20 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.727 0.534 25849 6217 1 20 . 1 1 3 3 PRO CB C 3 31.782 31.782 30.553 1.228 25849 6218 1 20 . 1 1 4 4 GLY N N 4 109.481 109.481 110.005 -0.524 25849 6219 1 20 . 1 1 4 4 GLY C C 4 173.688 173.688 173.606 0.082 25849 6220 1 20 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.808 -0.733 25849 6221 1 20 . 1 1 5 5 GLY N N 5 108.665 108.665 109.304 -0.639 25849 6222 1 20 . 1 1 5 5 GLY C C 5 174.231 174.231 173.068 1.163 25849 6223 1 20 . 1 1 5 5 GLY CA C 5 45.382 45.382 45.594 -0.212 25849 6224 1 20 . 1 1 6 6 LYS N N 6 120.860 120.860 121.721 -0.861 25849 6225 1 20 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.406 -0.150 25849 6226 1 20 . 1 1 6 6 LYS C C 6 176.715 176.715 175.500 1.215 25849 6227 1 20 . 1 1 6 6 LYS CA C 6 56.292 56.292 55.751 0.541 25849 6228 1 20 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.753 0.053 25849 6229 1 20 . 1 1 7 7 SER N N 7 116.762 116.762 121.627 -4.865 25849 6230 1 20 . 1 1 7 7 SER HA H 7 4.344 4.344 4.648 -0.304 25849 6231 1 20 . 1 1 7 7 SER C C 7 174.437 174.437 173.459 0.978 25849 6232 1 20 . 1 1 7 7 SER CA C 7 58.373 58.373 58.200 0.173 25849 6233 1 20 . 1 1 7 7 SER CB C 7 63.557 63.557 65.754 -2.197 25849 6234 1 20 . 1 1 8 8 ARG N N 8 123.315 123.315 122.501 0.814 25849 6235 1 20 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.516 -0.253 25849 6236 1 20 . 1 1 8 8 ARG C C 8 176.017 176.017 175.787 0.230 25849 6237 1 20 . 1 1 8 8 ARG CA C 8 55.951 55.951 55.953 -0.002 25849 6238 1 20 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.962 -0.429 25849 6239 1 20 . 1 1 9 9 ARG N N 9 122.423 122.423 119.998 2.425 25849 6240 1 20 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.557 -0.329 25849 6241 1 20 . 1 1 9 9 ARG C C 9 176.001 176.001 175.178 0.823 25849 6242 1 20 . 1 1 9 9 ARG CA C 9 55.936 55.936 55.444 0.492 25849 6243 1 20 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.834 -1.209 25849 6244 1 20 . 1 1 10 10 ARG N N 10 123.297 123.297 119.329 3.968 25849 6245 1 20 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.112 0.137 25849 6246 1 20 . 1 1 10 10 ARG C C 10 176.008 176.008 175.368 0.640 25849 6247 1 20 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.925 -1.059 25849 6248 1 20 . 1 1 10 10 ARG CB C 10 30.716 30.716 28.147 2.569 25849 6249 1 20 . 1 1 11 11 ARG N N 11 123.308 123.308 119.548 3.760 25849 6250 1 20 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.705 -0.393 25849 6251 1 20 . 1 1 11 11 ARG C C 11 176.115 176.115 175.776 0.339 25849 6252 1 20 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.068 1.011 25849 6253 1 20 . 1 1 11 11 ARG CB C 11 30.783 30.783 31.987 -1.204 25849 6254 1 20 . 1 1 12 12 THR N N 12 116.294 116.294 115.409 0.885 25849 6255 1 20 . 1 1 12 12 THR HA H 12 4.193 4.193 4.592 -0.399 25849 6256 1 20 . 1 1 12 12 THR C C 12 173.498 173.498 173.707 -0.209 25849 6257 1 20 . 1 1 12 12 THR CA C 12 61.491 61.491 61.272 0.219 25849 6258 1 20 . 1 1 12 12 THR CB C 12 69.706 69.706 70.052 -0.346 25849 6259 1 20 . 1 1 13 13 ALA N N 13 127.117 127.117 124.914 2.203 25849 6260 1 20 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.610 -0.389 25849 6261 1 20 . 1 1 13 13 ALA C C 13 176.874 176.874 176.540 0.334 25849 6262 1 20 . 1 1 13 13 ALA CA C 13 52.023 52.023 51.996 0.027 25849 6263 1 20 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.070 1.562 25849 6264 1 20 . 1 1 14 14 PHE N N 14 118.798 118.798 122.760 -3.962 25849 6265 1 20 . 1 1 14 14 PHE HA H 14 4.892 4.892 4.896 -0.004 25849 6266 1 20 . 1 1 14 14 PHE C C 14 176.653 176.653 176.318 0.335 25849 6267 1 20 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.446 0.688 25849 6268 1 20 . 1 1 14 14 PHE CB C 14 40.512 40.512 39.600 0.912 25849 6269 1 20 . 1 1 15 15 THR N N 15 113.522 113.522 116.973 -3.451 25849 6270 1 20 . 1 1 15 15 THR HA H 15 4.426 4.426 4.421 0.005 25849 6271 1 20 . 1 1 15 15 THR C C 15 175.371 175.371 175.893 -0.522 25849 6272 1 20 . 1 1 15 15 THR CA C 15 60.434 60.434 61.311 -0.877 25849 6273 1 20 . 1 1 15 15 THR CB C 15 70.826 70.826 69.901 0.925 25849 6274 1 20 . 1 1 16 16 SER N N 16 116.611 116.611 116.403 0.208 25849 6275 1 20 . 1 1 16 16 SER HA H 16 3.862 3.862 4.171 -0.309 25849 6276 1 20 . 1 1 16 16 SER C C 16 176.742 176.742 175.596 1.146 25849 6277 1 20 . 1 1 16 16 SER CA C 16 62.165 62.165 60.764 1.401 25849 6278 1 20 . 1 1 16 16 SER CB C 16 61.908 61.908 62.837 -0.928 25849 6279 1 20 . 1 1 17 17 GLU N N 17 120.901 120.901 120.166 0.735 25849 6280 1 20 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.005 -0.062 25849 6281 1 20 . 1 1 17 17 GLU C C 17 178.802 178.802 178.252 0.550 25849 6282 1 20 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.015 1.066 25849 6283 1 20 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.403 -0.297 25849 6284 1 20 . 1 1 18 18 GLN N N 18 118.523 118.523 118.537 -0.014 25849 6285 1 20 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.000 -0.254 25849 6286 1 20 . 1 1 18 18 GLN C C 18 177.493 177.493 178.361 -0.868 25849 6287 1 20 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.418 0.466 25849 6288 1 20 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.839 -0.781 25849 6289 1 20 . 1 1 19 19 LEU N N 19 117.349 117.349 119.077 -1.728 25849 6290 1 20 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.649 -0.117 25849 6291 1 20 . 1 1 19 19 LEU C C 19 178.289 178.289 178.495 -0.206 25849 6292 1 20 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.751 0.968 25849 6293 1 20 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.390 0.600 25849 6294 1 20 . 1 1 20 20 LEU N N 20 118.800 118.800 120.197 -1.397 25849 6295 1 20 . 1 1 20 20 LEU HA H 20 3.872 3.872 3.987 -0.115 25849 6296 1 20 . 1 1 20 20 LEU C C 20 179.808 179.808 178.871 0.937 25849 6297 1 20 . 1 1 20 20 LEU CA C 20 58.332 58.332 58.011 0.321 25849 6298 1 20 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.177 0.827 25849 6299 1 20 . 1 1 21 21 GLU N N 21 118.036 118.036 117.515 0.521 25849 6300 1 20 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.115 -0.078 25849 6301 1 20 . 1 1 21 21 GLU C C 21 175.996 175.996 179.338 -3.342 25849 6302 1 20 . 1 1 21 21 GLU CA C 21 58.410 58.410 58.347 0.063 25849 6303 1 20 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.199 0.614 25849 6304 1 20 . 1 1 22 22 LEU N N 22 121.854 121.854 119.685 2.169 25849 6305 1 20 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.836 -0.350 25849 6306 1 20 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.646 0.609 25849 6307 1 20 . 1 1 22 22 LEU CB C 22 38.435 38.435 40.922 -2.486 25849 6308 1 20 . 1 1 23 23 ARG N N 23 116.956 116.956 117.456 -0.500 25849 6309 1 20 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.145 -0.220 25849 6310 1 20 . 1 1 23 23 ARG CA C 23 60.148 60.148 59.168 0.980 25849 6311 1 20 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.183 -0.172 25849 6312 1 20 . 1 1 24 24 LYS N N 24 121.392 121.392 119.614 1.778 25849 6313 1 20 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.126 -0.145 25849 6314 1 20 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.330 0.379 25849 6315 1 20 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.017 0.425 25849 6316 1 20 . 1 1 25 25 GLU N N 25 119.698 119.698 119.131 0.567 25849 6317 1 20 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.253 -0.013 25849 6318 1 20 . 1 1 25 25 GLU C C 25 178.495 178.495 178.713 -0.218 25849 6319 1 20 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.237 0.526 25849 6320 1 20 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.393 -0.678 25849 6321 1 20 . 1 1 26 26 PHE N N 26 121.062 121.062 121.183 -0.121 25849 6322 1 20 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.350 0.281 25849 6323 1 20 . 1 1 26 26 PHE C C 26 176.071 176.071 176.730 -0.659 25849 6324 1 20 . 1 1 26 26 PHE CA C 26 59.830 59.830 61.959 -2.129 25849 6325 1 20 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.154 0.427 25849 6326 1 20 . 1 1 27 27 HIS N N 27 115.944 115.944 116.306 -0.362 25849 6327 1 20 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.284 -0.250 25849 6328 1 20 . 1 1 27 27 HIS CA C 27 58.231 58.231 57.404 0.827 25849 6329 1 20 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.256 -1.160 25849 6330 1 20 . 1 1 28 28 CYS N N 28 113.854 113.854 117.399 -3.545 25849 6331 1 20 . 1 1 28 28 CYS C C 28 175.913 175.913 174.811 1.102 25849 6332 1 20 . 1 1 28 28 CYS CA C 28 51.047 51.047 60.184 -9.137 25849 6333 1 20 . 1 1 28 28 CYS CB C 28 49.898 49.898 29.142 20.756 25849 6334 1 20 . 1 1 29 29 LYS N N 29 121.350 121.350 119.821 1.529 25849 6335 1 20 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.506 -0.242 25849 6336 1 20 . 1 1 29 29 LYS C C 29 172.365 172.365 175.987 -3.622 25849 6337 1 20 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.056 1.016 25849 6338 1 20 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.897 1.176 25849 6339 1 20 . 1 1 30 30 LYS N N 30 117.744 117.744 122.839 -5.095 25849 6340 1 20 . 1 1 30 30 LYS HA H 30 3.716 3.716 3.647 0.069 25849 6341 1 20 . 1 1 30 30 LYS C C 30 174.932 174.932 175.181 -0.249 25849 6342 1 20 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.746 -1.819 25849 6343 1 20 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.681 -0.133 25849 6344 1 20 . 1 1 31 31 TYR N N 31 113.437 113.437 116.926 -3.489 25849 6345 1 20 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.644 -0.144 25849 6346 1 20 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.610 -0.216 25849 6347 1 20 . 1 1 31 31 TYR CB C 31 41.161 41.161 40.172 0.989 25849 6348 1 20 . 1 1 32 32 LEU N N 32 122.416 122.416 125.188 -2.772 25849 6349 1 20 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.303 0.318 25849 6350 1 20 . 1 1 32 32 LEU C C 32 177.448 177.448 177.150 0.298 25849 6351 1 20 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.662 -1.877 25849 6352 1 20 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.215 2.484 25849 6353 1 20 . 1 1 33 33 SER N N 33 119.021 119.021 118.572 0.449 25849 6354 1 20 . 1 1 33 33 SER HA H 33 4.495 4.495 4.407 0.088 25849 6355 1 20 . 1 1 33 33 SER C C 33 174.599 174.599 175.948 -1.349 25849 6356 1 20 . 1 1 33 33 SER CA C 33 56.591 56.591 58.165 -1.574 25849 6357 1 20 . 1 1 33 33 SER CB C 33 64.944 64.944 63.926 1.018 25849 6358 1 20 . 1 1 34 34 LEU N N 34 121.555 121.555 123.752 -2.197 25849 6359 1 20 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.075 -0.169 25849 6360 1 20 . 1 1 34 34 LEU C C 34 179.869 179.869 179.189 0.680 25849 6361 1 20 . 1 1 34 34 LEU CA C 34 58.918 58.918 59.119 -0.201 25849 6362 1 20 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.640 0.745 25849 6363 1 20 . 1 1 35 35 THR N N 35 113.629 113.629 113.426 0.203 25849 6364 1 20 . 1 1 35 35 THR HA H 35 3.861 3.861 3.960 -0.099 25849 6365 1 20 . 1 1 35 35 THR C C 35 176.846 176.846 176.151 0.695 25849 6366 1 20 . 1 1 35 35 THR CA C 35 65.790 65.790 66.583 -0.793 25849 6367 1 20 . 1 1 35 35 THR CB C 35 68.421 68.421 68.556 -0.135 25849 6368 1 20 . 1 1 36 36 GLU N N 36 122.918 122.918 120.971 1.947 25849 6369 1 20 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.017 -0.106 25849 6370 1 20 . 1 1 36 36 GLU C C 36 178.858 178.858 178.901 -0.043 25849 6371 1 20 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.665 -0.818 25849 6372 1 20 . 1 1 36 36 GLU CB C 36 30.538 30.538 29.260 1.278 25849 6373 1 20 . 1 1 37 37 ARG N N 37 119.042 119.042 117.863 1.179 25849 6374 1 20 . 1 1 37 37 ARG HA H 37 3.684 3.684 4.017 -0.333 25849 6375 1 20 . 1 1 37 37 ARG C C 37 177.748 177.748 178.662 -0.914 25849 6376 1 20 . 1 1 37 37 ARG CA C 37 60.036 60.036 57.746 2.290 25849 6377 1 20 . 1 1 37 37 ARG CB C 37 30.812 30.812 29.113 1.699 25849 6378 1 20 . 1 1 38 38 SER N N 38 113.447 113.447 115.407 -1.960 25849 6379 1 20 . 1 1 38 38 SER HA H 38 4.004 4.004 4.050 -0.046 25849 6380 1 20 . 1 1 38 38 SER C C 38 176.517 176.517 176.794 -0.277 25849 6381 1 20 . 1 1 38 38 SER CA C 38 61.804 61.804 61.569 0.235 25849 6382 1 20 . 1 1 38 38 SER CB C 38 62.810 62.810 62.617 0.193 25849 6383 1 20 . 1 1 39 39 GLN N N 39 121.739 121.739 120.397 1.342 25849 6384 1 20 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.075 -0.028 25849 6385 1 20 . 1 1 39 39 GLN C C 39 178.889 178.889 178.382 0.507 25849 6386 1 20 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.315 -0.225 25849 6387 1 20 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.835 -0.520 25849 6388 1 20 . 1 1 40 40 ILE N N 40 121.471 121.471 116.903 4.568 25849 6389 1 20 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.868 -0.031 25849 6390 1 20 . 1 1 40 40 ILE C C 40 176.844 176.844 176.232 0.612 25849 6391 1 20 . 1 1 40 40 ILE CA C 40 64.398 64.398 63.216 1.182 25849 6392 1 20 . 1 1 40 40 ILE CB C 40 38.175 38.175 37.394 0.781 25849 6393 1 20 . 1 1 41 41 ALA N N 41 121.897 121.897 122.326 -0.429 25849 6394 1 20 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.111 -0.517 25849 6395 1 20 . 1 1 41 41 ALA C C 41 179.238 179.238 178.744 0.494 25849 6396 1 20 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.640 1.286 25849 6397 1 20 . 1 1 41 41 ALA CB C 41 17.584 17.584 18.995 -1.411 25849 6398 1 20 . 1 1 42 42 HIS N N 42 114.139 114.139 120.964 -6.825 25849 6399 1 20 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.226 0.097 25849 6400 1 20 . 1 1 42 42 HIS C C 42 178.003 178.003 177.820 0.183 25849 6401 1 20 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.367 -0.622 25849 6402 1 20 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.722 -0.960 25849 6403 1 20 . 1 1 43 43 ALA N N 43 121.931 121.931 121.225 0.706 25849 6404 1 20 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.037 -0.045 25849 6405 1 20 . 1 1 43 43 ALA C C 43 179.235 179.235 177.702 1.533 25849 6406 1 20 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.059 0.853 25849 6407 1 20 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.718 -0.316 25849 6408 1 20 . 1 1 44 44 LEU N N 44 114.067 114.067 115.133 -1.066 25849 6409 1 20 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.445 -0.206 25849 6410 1 20 . 1 1 44 44 LEU C C 44 175.891 175.891 176.028 -0.137 25849 6411 1 20 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.865 0.371 25849 6412 1 20 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.704 -0.124 25849 6413 1 20 . 1 1 45 45 LYS N N 45 116.940 116.940 117.699 -0.759 25849 6414 1 20 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.866 0.011 25849 6415 1 20 . 1 1 45 45 LYS C C 45 175.207 175.207 175.812 -0.605 25849 6416 1 20 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.402 -0.148 25849 6417 1 20 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.981 -2.584 25849 6418 1 20 . 1 1 46 46 LEU N N 46 119.505 119.505 118.338 1.167 25849 6419 1 20 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.424 0.283 25849 6420 1 20 . 1 1 46 46 LEU C C 46 175.958 175.958 175.686 0.272 25849 6421 1 20 . 1 1 46 46 LEU CA C 46 52.339 52.339 53.422 -1.083 25849 6422 1 20 . 1 1 46 46 LEU CB C 46 47.312 47.312 44.480 2.832 25849 6423 1 20 . 1 1 47 47 SER N N 47 114.844 114.844 114.306 0.538 25849 6424 1 20 . 1 1 47 47 SER HA H 47 4.641 4.641 4.580 0.061 25849 6425 1 20 . 1 1 47 47 SER C C 47 175.899 175.899 175.546 0.353 25849 6426 1 20 . 1 1 47 47 SER CA C 47 56.675 56.675 57.214 -0.539 25849 6427 1 20 . 1 1 47 47 SER CB C 47 64.911 64.911 64.408 0.503 25849 6428 1 20 . 1 1 48 48 GLU N N 48 122.920 122.920 122.861 0.059 25849 6429 1 20 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.057 -0.462 25849 6430 1 20 . 1 1 48 48 GLU C C 48 178.430 178.430 178.506 -0.076 25849 6431 1 20 . 1 1 48 48 GLU CA C 48 61.115 61.115 60.060 1.055 25849 6432 1 20 . 1 1 48 48 GLU CB C 48 29.010 29.010 28.980 0.030 25849 6433 1 20 . 1 1 49 49 VAL N N 49 118.053 118.053 119.604 -1.551 25849 6434 1 20 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.817 -0.127 25849 6435 1 20 . 1 1 49 49 VAL C C 49 177.001 177.001 178.137 -1.136 25849 6436 1 20 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.148 -0.395 25849 6437 1 20 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.052 0.757 25849 6438 1 20 . 1 1 50 50 GLN N N 50 119.121 119.121 118.213 0.908 25849 6439 1 20 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.199 -0.125 25849 6440 1 20 . 1 1 50 50 GLN C C 50 179.480 179.480 178.992 0.488 25849 6441 1 20 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.204 0.050 25849 6442 1 20 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.200 1.457 25849 6443 1 20 . 1 1 51 51 VAL N N 51 118.983 118.983 119.992 -1.009 25849 6444 1 20 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.057 -0.413 25849 6445 1 20 . 1 1 51 51 VAL C C 51 176.652 176.652 178.081 -1.429 25849 6446 1 20 . 1 1 51 51 VAL CA C 51 67.421 67.421 66.951 0.470 25849 6447 1 20 . 1 1 51 51 VAL CB C 51 32.160 32.160 30.980 1.180 25849 6448 1 20 . 1 1 52 52 LYS N N 52 120.962 120.962 120.539 0.423 25849 6449 1 20 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.154 0.013 25849 6450 1 20 . 1 1 52 52 LYS C C 52 179.592 179.592 179.471 0.121 25849 6451 1 20 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.818 0.130 25849 6452 1 20 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.117 1.174 25849 6453 1 20 . 1 1 53 53 ILE N N 53 120.085 120.085 120.090 -0.005 25849 6454 1 20 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.908 -0.173 25849 6455 1 20 . 1 1 53 53 ILE C C 53 177.452 177.452 177.822 -0.370 25849 6456 1 20 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.674 -0.448 25849 6457 1 20 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.969 0.057 25849 6458 1 20 . 1 1 54 54 TRP N N 54 122.169 122.169 123.073 -0.904 25849 6459 1 20 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.069 -0.082 25849 6460 1 20 . 1 1 54 54 TRP C C 54 179.143 179.143 177.927 1.216 25849 6461 1 20 . 1 1 54 54 TRP CA C 54 63.592 63.592 62.296 1.296 25849 6462 1 20 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.530 -0.590 25849 6463 1 20 . 1 1 55 55 PHE N N 55 118.530 118.530 117.466 1.064 25849 6464 1 20 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.224 -0.570 25849 6465 1 20 . 1 1 55 55 PHE C C 55 177.833 177.833 178.070 -0.237 25849 6466 1 20 . 1 1 55 55 PHE CA C 55 63.202 63.202 63.295 -0.093 25849 6467 1 20 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.921 0.618 25849 6468 1 20 . 1 1 56 56 GLN N N 56 118.313 118.313 118.536 -0.223 25849 6469 1 20 . 1 1 56 56 GLN HA H 56 3.889 3.889 3.922 -0.033 25849 6470 1 20 . 1 1 56 56 GLN C C 56 179.052 179.052 178.197 0.855 25849 6471 1 20 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.062 0.423 25849 6472 1 20 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.194 0.375 25849 6473 1 20 . 1 1 57 57 ASN N N 57 119.607 119.607 118.896 0.711 25849 6474 1 20 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.365 -0.084 25849 6475 1 20 . 1 1 57 57 ASN C C 57 177.385 177.385 177.516 -0.131 25849 6476 1 20 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.270 -0.878 25849 6477 1 20 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.379 -0.546 25849 6478 1 20 . 1 1 58 58 GLU N N 58 124.516 124.516 120.560 3.956 25849 6479 1 20 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.728 -0.367 25849 6480 1 20 . 1 1 58 58 GLU C C 58 179.522 179.522 178.504 1.018 25849 6481 1 20 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.685 -0.398 25849 6482 1 20 . 1 1 58 58 GLU CB C 58 27.532 27.532 28.732 -1.200 25849 6483 1 20 . 1 1 59 59 ARG N N 59 118.692 118.692 119.680 -0.988 25849 6484 1 20 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.401 -0.261 25849 6485 1 20 . 1 1 59 59 ARG C C 59 178.813 178.813 178.633 0.180 25849 6486 1 20 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.283 1.630 25849 6487 1 20 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.061 1.631 25849 6488 1 20 . 1 1 60 60 ALA N N 60 120.662 120.662 120.170 0.492 25849 6489 1 20 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.217 -0.134 25849 6490 1 20 . 1 1 60 60 ALA C C 60 179.753 179.753 178.597 1.156 25849 6491 1 20 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.503 0.297 25849 6492 1 20 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.278 -0.380 25849 6493 1 20 . 1 1 61 61 LYS N N 61 118.620 118.620 119.093 -0.473 25849 6494 1 20 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.002 -0.161 25849 6495 1 20 . 1 1 61 61 LYS C C 61 177.994 177.994 178.853 -0.859 25849 6496 1 20 . 1 1 61 61 LYS CA C 61 58.772 58.772 59.144 -0.372 25849 6497 1 20 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.358 0.137 25849 6498 1 20 . 1 1 62 62 TRP N N 62 120.517 120.517 121.068 -0.551 25849 6499 1 20 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.302 0.025 25849 6500 1 20 . 1 1 62 62 TRP C C 62 177.118 177.118 178.145 -1.027 25849 6501 1 20 . 1 1 62 62 TRP CA C 62 59.336 59.336 61.281 -1.944 25849 6502 1 20 . 1 1 62 62 TRP CB C 62 29.119 29.119 29.696 -0.577 25849 6503 1 20 . 1 1 63 63 LYS N N 63 119.074 119.074 118.974 0.100 25849 6504 1 20 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.173 -0.378 25849 6505 1 20 . 1 1 63 63 LYS C C 63 177.429 177.429 177.496 -0.067 25849 6506 1 20 . 1 1 63 63 LYS CA C 63 58.089 58.089 58.527 -0.438 25849 6507 1 20 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.245 0.499 25849 6508 1 20 . 1 1 64 64 ARG N N 64 118.825 118.825 116.486 2.339 25849 6509 1 20 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.333 -0.249 25849 6510 1 20 . 1 1 64 64 ARG C C 64 177.231 177.231 176.600 0.631 25849 6511 1 20 . 1 1 64 64 ARG CA C 64 57.470 57.470 57.110 0.360 25849 6512 1 20 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.355 -0.077 25849 6513 1 20 . 1 1 65 65 ILE N N 65 120.523 120.523 117.718 2.805 25849 6514 1 20 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.986 -0.113 25849 6515 1 20 . 1 1 65 65 ILE C C 65 177.198 177.198 175.255 1.943 25849 6516 1 20 . 1 1 65 65 ILE CA C 65 62.392 62.392 61.093 1.299 25849 6517 1 20 . 1 1 65 65 ILE CB C 65 38.398 38.398 39.000 -0.602 25849 6518 1 20 . 1 1 66 66 LYS N N 66 123.201 123.201 122.457 0.744 25849 6519 1 20 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.144 -0.071 25849 6520 1 20 . 1 1 66 66 LYS C C 66 176.387 176.387 176.601 -0.214 25849 6521 1 20 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.151 0.474 25849 6522 1 20 . 1 1 66 66 LYS CB C 66 32.364 32.364 30.119 2.245 25849 6523 1 20 . 1 1 67 67 ALA N N 67 123.500 123.500 126.170 -2.670 25849 6524 1 20 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.080 0.122 25849 6525 1 20 . 1 1 67 67 ALA C C 67 177.870 177.870 177.968 -0.098 25849 6526 1 20 . 1 1 67 67 ALA CA C 67 52.583 52.583 53.853 -1.270 25849 6527 1 20 . 1 1 67 67 ALA CB C 67 19.086 19.086 18.964 0.122 25849 6528 1 20 . 1 1 68 68 GLY N N 68 107.120 107.120 104.680 2.440 25849 6529 1 20 . 1 1 68 68 GLY C C 68 173.688 173.688 174.082 -0.394 25849 6530 1 20 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.666 0.682 25849 6531 1 20 . 1 1 69 69 ASN N N 69 118.671 118.671 118.133 0.538 25849 6532 1 20 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.974 -0.291 25849 6533 1 20 . 1 1 69 69 ASN C C 69 174.792 174.792 174.387 0.405 25849 6534 1 20 . 1 1 69 69 ASN CA C 69 53.009 53.009 52.380 0.629 25849 6535 1 20 . 1 1 69 69 ASN CB C 69 39.064 39.064 40.919 -1.855 25849 6536 1 20 . 1 1 70 70 VAL N N 70 119.480 119.480 122.802 -3.322 25849 6537 1 20 . 1 1 70 70 VAL HA H 70 4.130 4.130 4.002 0.128 25849 6538 1 20 . 1 1 70 70 VAL C C 70 175.126 175.126 175.754 -0.628 25849 6539 1 20 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.283 -1.192 25849 6540 1 20 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.100 1.763 25849 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 67 2.130 0.296 2.126 25849 2 1 1 "Average Difference" HA 66 0.232 0.109 0.207 25849 3 1 1 "Average Difference" C 63 1.031 0.130 1.031 25849 4 1 1 "Average Difference" CA 68 1.522 0.215 1.518 25849 5 1 1 "Average Difference" CB 65 2.750 -0.531 2.719 25849 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25849 7 1 2 "Average Difference" N 67 2.196 -0.255 2.198 25849 8 1 2 "Average Difference" HA 66 0.280 0.148 0.240 25849 9 1 2 "Average Difference" C 63 0.918 0.021 0.925 25849 10 1 2 "Average Difference" CA 68 1.634 0.061 1.645 25849 11 1 2 "Average Difference" CB 65 2.864 -0.351 2.865 25849 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25849 13 1 3 "Average Difference" N 67 2.271 0.191 2.280 25849 14 1 3 "Average Difference" HA 66 0.236 0.131 0.198 25849 15 1 3 "Average Difference" C 63 0.984 0.165 0.978 25849 16 1 3 "Average Difference" CA 68 1.273 0.168 1.272 25849 17 1 3 "Average Difference" CB 65 2.575 -0.532 2.539 25849 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25849 19 1 4 "Average Difference" N 67 2.040 -0.122 2.051 25849 20 1 4 "Average Difference" HA 66 0.276 0.138 0.241 25849 21 1 4 "Average Difference" C 63 0.968 0.119 0.969 25849 22 1 4 "Average Difference" CA 68 1.400 0.006 1.410 25849 23 1 4 "Average Difference" CB 65 2.772 -0.563 2.735 25849 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25849 25 1 5 "Average Difference" N 67 2.007 -0.093 2.020 25849 26 1 5 "Average Difference" HA 66 0.261 0.159 0.209 25849 27 1 5 "Average Difference" C 63 1.062 0.076 1.068 25849 28 1 5 "Average Difference" CA 68 1.369 0.090 1.376 25849 29 1 5 "Average Difference" CB 65 2.689 -0.485 2.665 25849 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25849 31 1 6 "Average Difference" N 67 2.658 -0.419 2.644 25849 32 1 6 "Average Difference" HA 66 0.279 0.160 0.230 25849 33 1 6 "Average Difference" C 63 0.990 0.019 0.998 25849 34 1 6 "Average Difference" CA 68 1.706 -0.029 1.718 25849 35 1 6 "Average Difference" CB 65 2.905 -0.426 2.896 25849 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25849 37 1 7 "Average Difference" N 67 1.914 -0.064 1.928 25849 38 1 7 "Average Difference" HA 66 0.250 0.139 0.209 25849 39 1 7 "Average Difference" C 63 1.032 0.047 1.040 25849 40 1 7 "Average Difference" CA 68 1.464 0.010 1.475 25849 41 1 7 "Average Difference" CB 65 2.665 -0.506 2.637 25849 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25849 43 1 8 "Average Difference" N 67 2.217 0.049 2.233 25849 44 1 8 "Average Difference" HA 66 0.257 0.120 0.228 25849 45 1 8 "Average Difference" C 63 0.975 0.116 0.976 25849 46 1 8 "Average Difference" CA 68 1.700 0.131 1.707 25849 47 1 8 "Average Difference" CB 65 2.805 -0.455 2.789 25849 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25849 49 1 9 "Average Difference" N 67 2.154 -0.199 2.161 25849 50 1 9 "Average Difference" HA 66 0.278 0.145 0.238 25849 51 1 9 "Average Difference" C 63 1.132 0.037 1.140 25849 52 1 9 "Average Difference" CA 68 1.491 0.170 1.492 25849 53 1 9 "Average Difference" CB 65 2.712 -0.386 2.705 25849 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25849 55 1 10 "Average Difference" N 67 2.067 0.072 2.082 25849 56 1 10 "Average Difference" HA 66 0.282 0.151 0.240 25849 57 1 10 "Average Difference" C 63 0.931 -0.014 0.938 25849 58 1 10 "Average Difference" CA 68 1.655 0.061 1.667 25849 59 1 10 "Average Difference" CB 65 2.880 -0.371 2.878 25849 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25849 61 1 11 "Average Difference" N 67 2.038 0.002 2.054 25849 62 1 11 "Average Difference" HA 66 0.276 0.160 0.227 25849 63 1 11 "Average Difference" C 63 1.101 0.057 1.108 25849 64 1 11 "Average Difference" CA 68 1.485 -0.021 1.495 25849 65 1 11 "Average Difference" CB 65 2.729 -0.486 2.707 25849 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 25849 67 1 12 "Average Difference" N 67 2.032 0.109 2.045 25849 68 1 12 "Average Difference" HA 66 0.237 0.128 0.200 25849 69 1 12 "Average Difference" C 63 0.943 0.099 0.945 25849 70 1 12 "Average Difference" CA 68 1.415 0.108 1.421 25849 71 1 12 "Average Difference" CB 65 2.810 -0.417 2.801 25849 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 25849 73 1 13 "Average Difference" N 67 2.348 -0.077 2.364 25849 74 1 13 "Average Difference" HA 66 0.267 0.146 0.225 25849 75 1 13 "Average Difference" C 63 1.046 0.067 1.052 25849 76 1 13 "Average Difference" CA 68 1.422 -0.034 1.432 25849 77 1 13 "Average Difference" CB 65 2.554 -0.367 2.547 25849 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 25849 79 1 14 "Average Difference" N 67 2.267 -0.533 2.220 25849 80 1 14 "Average Difference" HA 66 0.249 0.124 0.217 25849 81 1 14 "Average Difference" C 63 0.868 0.040 0.874 25849 82 1 14 "Average Difference" CA 68 1.664 0.116 1.673 25849 83 1 14 "Average Difference" CB 65 2.961 -0.470 2.946 25849 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 25849 85 1 15 "Average Difference" N 67 2.186 -0.054 2.202 25849 86 1 15 "Average Difference" HA 66 0.258 0.114 0.233 25849 87 1 15 "Average Difference" C 63 0.999 0.050 1.006 25849 88 1 15 "Average Difference" CA 68 1.331 0.088 1.338 25849 89 1 15 "Average Difference" CB 65 2.714 -0.478 2.692 25849 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 25849 91 1 16 "Average Difference" N 67 2.080 0.296 2.074 25849 92 1 16 "Average Difference" HA 66 0.257 0.108 0.235 25849 93 1 16 "Average Difference" C 63 1.057 0.142 1.056 25849 94 1 16 "Average Difference" CA 68 1.412 0.187 1.410 25849 95 1 16 "Average Difference" CB 65 2.702 -0.453 2.684 25849 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 25849 97 1 17 "Average Difference" N 67 1.883 -0.008 1.897 25849 98 1 17 "Average Difference" HA 66 0.252 0.124 0.221 25849 99 1 17 "Average Difference" C 63 1.043 0.128 1.043 25849 100 1 17 "Average Difference" CA 68 1.319 0.171 1.318 25849 101 1 17 "Average Difference" CB 65 2.802 -0.494 2.780 25849 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 25849 103 1 18 "Average Difference" N 67 2.175 0.073 2.191 25849 104 1 18 "Average Difference" HA 66 0.262 0.146 0.219 25849 105 1 18 "Average Difference" C 63 1.088 0.188 1.080 25849 106 1 18 "Average Difference" CA 68 1.242 0.177 1.239 25849 107 1 18 "Average Difference" CB 65 2.928 -0.380 2.926 25849 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 25849 109 1 19 "Average Difference" N 67 1.993 -0.276 1.989 25849 110 1 19 "Average Difference" HA 66 0.241 0.150 0.190 25849 111 1 19 "Average Difference" C 63 1.030 0.200 1.019 25849 112 1 19 "Average Difference" CA 68 1.306 0.107 1.312 25849 113 1 19 "Average Difference" CB 65 2.665 -0.423 2.652 25849 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 25849 115 1 20 "Average Difference" N 67 2.185 0.120 2.198 25849 116 1 20 "Average Difference" HA 66 0.229 0.128 0.191 25849 117 1 20 "Average Difference" C 63 0.966 -0.074 0.970 25849 118 1 20 "Average Difference" CA 68 1.434 0.061 1.443 25849 119 1 20 "Average Difference" CB 65 2.827 -0.504 2.804 25849 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 25849 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 25849 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 PRO HA H 3 4.365 4.365 4.438 -0.073 25849 2 1 . 1 1 3 3 PRO C C 3 177.410 177.410 176.766 0.644 25849 3 1 . 1 1 3 3 PRO CA C 3 63.261 63.261 62.892 0.369 25849 4 1 . 1 1 3 3 PRO CB C 3 31.782 31.782 32.308 -0.526 25849 5 1 . 1 1 4 4 GLY N N 4 109.481 109.481 108.085 1.395 25849 6 1 . 1 1 4 4 GLY C C 4 173.688 173.688 174.179 -0.491 25849 7 1 . 1 1 4 4 GLY CA C 4 45.075 45.075 45.096 -0.021 25849 8 1 . 1 1 5 5 GLY N N 5 108.665 108.665 109.391 -0.726 25849 9 1 . 1 1 5 5 GLY C C 5 174.231 174.231 174.195 0.036 25849 10 1 . 1 1 5 5 GLY CA C 5 45.382 45.382 44.941 0.441 25849 11 1 . 1 1 6 6 LYS N N 6 120.860 120.860 121.272 -0.412 25849 12 1 . 1 1 6 6 LYS HA H 6 4.256 4.256 4.378 -0.122 25849 13 1 . 1 1 6 6 LYS C C 6 176.715 176.715 175.675 1.040 25849 14 1 . 1 1 6 6 LYS CA C 6 56.292 56.292 56.284 0.008 25849 15 1 . 1 1 6 6 LYS CB C 6 32.806 32.806 32.886 -0.080 25849 16 1 . 1 1 7 7 SER N N 7 116.762 116.762 116.250 0.512 25849 17 1 . 1 1 7 7 SER HA H 7 4.344 4.344 4.575 -0.231 25849 18 1 . 1 1 7 7 SER C C 7 174.437 174.437 173.740 0.697 25849 19 1 . 1 1 7 7 SER CA C 7 58.373 58.373 58.264 0.109 25849 20 1 . 1 1 7 7 SER CB C 7 63.557 63.557 64.189 -0.632 25849 21 1 . 1 1 8 8 ARG N N 8 123.315 123.315 122.172 1.143 25849 22 1 . 1 1 8 8 ARG HA H 8 4.263 4.263 4.421 -0.158 25849 23 1 . 1 1 8 8 ARG C C 8 176.017 176.017 175.727 0.290 25849 24 1 . 1 1 8 8 ARG CA C 8 55.951 55.951 56.192 -0.241 25849 25 1 . 1 1 8 8 ARG CB C 8 30.533 30.533 30.600 -0.067 25849 26 1 . 1 1 9 9 ARG N N 9 122.423 122.423 121.471 0.952 25849 27 1 . 1 1 9 9 ARG HA H 9 4.228 4.228 4.382 -0.154 25849 28 1 . 1 1 9 9 ARG C C 9 176.001 176.001 175.519 0.482 25849 29 1 . 1 1 9 9 ARG CA C 9 55.936 55.936 56.005 -0.069 25849 30 1 . 1 1 9 9 ARG CB C 9 30.625 30.625 31.124 -0.499 25849 31 1 . 1 1 10 10 ARG N N 10 123.297 123.297 121.317 1.980 25849 32 1 . 1 1 10 10 ARG HA H 10 4.249 4.249 4.313 -0.064 25849 33 1 . 1 1 10 10 ARG C C 10 176.008 176.008 175.380 0.628 25849 34 1 . 1 1 10 10 ARG CA C 10 55.866 55.866 56.143 -0.277 25849 35 1 . 1 1 10 10 ARG CB C 10 30.716 30.716 30.402 0.314 25849 36 1 . 1 1 11 11 ARG N N 11 123.308 123.308 121.390 1.918 25849 37 1 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.394 -0.082 25849 38 1 . 1 1 11 11 ARG C C 11 176.115 176.115 175.406 0.709 25849 39 1 . 1 1 11 11 ARG CA C 11 56.079 56.079 55.826 0.253 25849 40 1 . 1 1 11 11 ARG CB C 11 30.783 30.783 31.295 -0.512 25849 41 1 . 1 1 12 12 THR N N 12 116.294 116.294 116.156 0.138 25849 42 1 . 1 1 12 12 THR HA H 12 4.193 4.193 4.486 -0.293 25849 43 1 . 1 1 12 12 THR C C 12 173.498 173.498 174.262 -0.764 25849 44 1 . 1 1 12 12 THR CA C 12 61.491 61.491 61.687 -0.196 25849 45 1 . 1 1 12 12 THR CB C 12 69.706 69.706 70.170 -0.464 25849 46 1 . 1 1 13 13 ALA N N 13 127.117 127.117 125.172 1.945 25849 47 1 . 1 1 13 13 ALA HA H 13 4.221 4.221 4.436 -0.215 25849 48 1 . 1 1 13 13 ALA C C 13 176.874 176.874 176.527 0.347 25849 49 1 . 1 1 13 13 ALA CA C 13 52.023 52.023 52.473 -0.450 25849 50 1 . 1 1 13 13 ALA CB C 13 19.632 19.632 18.089 1.543 25849 51 1 . 1 1 14 14 PHE N N 14 118.798 118.798 122.740 -3.942 25849 52 1 . 1 1 14 14 PHE HA H 14 4.892 4.892 5.029 -0.137 25849 53 1 . 1 1 14 14 PHE C C 14 176.653 176.653 176.483 0.170 25849 54 1 . 1 1 14 14 PHE CA C 14 56.134 56.134 55.824 0.310 25849 55 1 . 1 1 14 14 PHE CB C 14 40.512 40.512 41.219 -0.707 25849 56 1 . 1 1 15 15 THR N N 15 113.522 113.522 115.836 -2.314 25849 57 1 . 1 1 15 15 THR HA H 15 4.426 4.426 4.575 -0.149 25849 58 1 . 1 1 15 15 THR C C 15 175.371 175.371 175.784 -0.413 25849 59 1 . 1 1 15 15 THR CA C 15 60.434 60.434 60.941 -0.507 25849 60 1 . 1 1 15 15 THR CB C 15 70.826 70.826 70.313 0.513 25849 61 1 . 1 1 16 16 SER N N 16 116.611 116.611 116.806 -0.195 25849 62 1 . 1 1 16 16 SER HA H 16 3.862 3.862 4.132 -0.270 25849 63 1 . 1 1 16 16 SER C C 16 176.742 176.742 176.338 0.404 25849 64 1 . 1 1 16 16 SER CA C 16 62.165 62.165 61.569 0.596 25849 65 1 . 1 1 16 16 SER CB C 16 61.908 61.908 62.766 -0.858 25849 66 1 . 1 1 17 17 GLU N N 17 120.901 120.901 120.504 0.397 25849 67 1 . 1 1 17 17 GLU HA H 17 3.943 3.943 4.005 -0.062 25849 68 1 . 1 1 17 17 GLU C C 17 178.802 178.802 178.528 0.274 25849 69 1 . 1 1 17 17 GLU CA C 17 60.081 60.081 59.330 0.751 25849 70 1 . 1 1 17 17 GLU CB C 17 29.106 29.106 29.299 -0.192 25849 71 1 . 1 1 18 18 GLN N N 18 118.523 118.523 117.859 0.664 25849 72 1 . 1 1 18 18 GLN HA H 18 3.746 3.746 4.031 -0.285 25849 73 1 . 1 1 18 18 GLN C C 18 177.493 177.493 178.272 -0.779 25849 74 1 . 1 1 18 18 GLN CA C 18 58.884 58.884 58.132 0.751 25849 75 1 . 1 1 18 18 GLN CB C 18 28.058 28.058 28.851 -0.793 25849 76 1 . 1 1 19 19 LEU N N 19 117.349 117.349 119.108 -1.759 25849 77 1 . 1 1 19 19 LEU HA H 19 3.532 3.532 3.778 -0.246 25849 78 1 . 1 1 19 19 LEU C C 19 178.289 178.289 178.241 0.048 25849 79 1 . 1 1 19 19 LEU CA C 19 57.719 57.719 56.563 1.156 25849 80 1 . 1 1 19 19 LEU CB C 19 41.990 41.990 41.620 0.370 25849 81 1 . 1 1 20 20 LEU N N 20 118.800 118.800 120.351 -1.551 25849 82 1 . 1 1 20 20 LEU HA H 20 3.872 3.872 4.003 -0.131 25849 83 1 . 1 1 20 20 LEU C C 20 179.808 179.808 178.752 1.056 25849 84 1 . 1 1 20 20 LEU CA C 20 58.332 58.332 57.958 0.374 25849 85 1 . 1 1 20 20 LEU CB C 20 42.004 42.004 41.527 0.477 25849 86 1 . 1 1 21 21 GLU N N 21 118.036 118.036 118.522 -0.486 25849 87 1 . 1 1 21 21 GLU HA H 21 4.037 4.037 4.011 0.026 25849 88 1 . 1 1 21 21 GLU C C 21 175.996 175.996 179.249 -3.253 25849 89 1 . 1 1 21 21 GLU CA C 21 58.410 58.410 59.101 -0.691 25849 90 1 . 1 1 21 21 GLU CB C 21 29.813 29.813 29.047 0.766 25849 91 1 . 1 1 22 22 LEU N N 22 121.854 121.854 119.148 2.706 25849 92 1 . 1 1 22 22 LEU HA H 22 3.486 3.486 3.933 -0.447 25849 93 1 . 1 1 22 22 LEU CA C 22 58.255 58.255 57.605 0.650 25849 94 1 . 1 1 22 22 LEU CB C 22 38.435 38.435 41.076 -2.641 25849 95 1 . 1 1 23 23 ARG N N 23 116.956 116.956 117.512 -0.556 25849 96 1 . 1 1 23 23 ARG HA H 23 3.925 3.925 4.151 -0.226 25849 97 1 . 1 1 23 23 ARG CA C 23 60.148 60.148 58.801 1.347 25849 98 1 . 1 1 23 23 ARG CB C 23 30.011 30.011 30.169 -0.158 25849 99 1 . 1 1 24 24 LYS N N 24 121.392 121.392 119.696 1.696 25849 100 1 . 1 1 24 24 LYS HA H 24 3.981 3.981 4.104 -0.123 25849 101 1 . 1 1 24 24 LYS CA C 24 59.709 59.709 59.083 0.626 25849 102 1 . 1 1 24 24 LYS CB C 24 32.442 32.442 32.293 0.149 25849 103 1 . 1 1 25 25 GLU N N 25 119.698 119.698 118.911 0.787 25849 104 1 . 1 1 25 25 GLU HA H 25 4.240 4.240 4.200 0.040 25849 105 1 . 1 1 25 25 GLU C C 25 178.495 178.495 178.699 -0.204 25849 106 1 . 1 1 25 25 GLU CA C 25 58.763 58.763 58.644 0.119 25849 107 1 . 1 1 25 25 GLU CB C 25 28.715 28.715 29.570 -0.855 25849 108 1 . 1 1 26 26 PHE N N 26 121.062 121.062 119.928 1.134 25849 109 1 . 1 1 26 26 PHE HA H 26 4.631 4.631 4.264 0.367 25849 110 1 . 1 1 26 26 PHE C C 26 176.071 176.071 176.278 -0.207 25849 111 1 . 1 1 26 26 PHE CA C 26 59.830 59.830 60.730 -0.900 25849 112 1 . 1 1 26 26 PHE CB C 26 39.581 39.581 39.263 0.318 25849 113 1 . 1 1 27 27 HIS N N 27 115.944 115.944 115.246 0.698 25849 114 1 . 1 1 27 27 HIS HA H 27 4.034 4.034 4.427 -0.393 25849 115 1 . 1 1 27 27 HIS CA C 27 58.231 58.231 56.800 1.431 25849 116 1 . 1 1 27 27 HIS CB C 27 29.096 29.096 30.015 -0.919 25849 117 1 . 1 1 28 28 CYS N N 28 113.854 113.854 117.678 -3.824 25849 118 1 . 1 1 28 28 CYS C C 28 175.913 175.913 174.572 1.341 25849 119 1 . 1 1 28 28 CYS CA C 28 51.047 51.047 59.905 -8.858 25849 120 1 . 1 1 28 28 CYS CB C 28 49.898 49.898 29.784 20.114 25849 121 1 . 1 1 29 29 LYS N N 29 121.350 121.350 120.447 0.903 25849 122 1 . 1 1 29 29 LYS HA H 29 4.264 4.264 4.365 -0.101 25849 123 1 . 1 1 29 29 LYS C C 29 172.365 172.365 176.063 -3.698 25849 124 1 . 1 1 29 29 LYS CA C 29 56.072 56.072 55.591 0.481 25849 125 1 . 1 1 29 29 LYS CB C 29 35.073 35.073 33.888 1.185 25849 126 1 . 1 1 30 30 LYS N N 30 117.744 117.744 120.700 -2.956 25849 127 1 . 1 1 30 30 LYS HA H 30 3.716 3.716 4.057 -0.341 25849 128 1 . 1 1 30 30 LYS C C 30 174.932 174.932 175.558 -0.626 25849 129 1 . 1 1 30 30 LYS CA C 30 55.928 55.928 57.444 -1.516 25849 130 1 . 1 1 30 30 LYS CB C 30 32.548 32.548 32.788 -0.240 25849 131 1 . 1 1 31 31 TYR N N 31 113.437 113.437 115.439 -2.002 25849 132 1 . 1 1 31 31 TYR HA H 31 4.500 4.500 4.710 -0.210 25849 133 1 . 1 1 31 31 TYR CA C 31 56.394 56.394 56.228 0.166 25849 134 1 . 1 1 31 31 TYR CB C 31 41.161 41.161 39.679 1.482 25849 135 1 . 1 1 32 32 LEU N N 32 122.416 122.416 123.063 -0.647 25849 136 1 . 1 1 32 32 LEU HA H 32 4.621 4.621 4.543 0.078 25849 137 1 . 1 1 32 32 LEU C C 32 177.448 177.448 176.798 0.650 25849 138 1 . 1 1 32 32 LEU CA C 32 52.785 52.785 54.068 -1.283 25849 139 1 . 1 1 32 32 LEU CB C 32 44.699 44.699 42.923 1.776 25849 140 1 . 1 1 33 33 SER N N 33 119.021 119.021 117.665 1.356 25849 141 1 . 1 1 33 33 SER HA H 33 4.495 4.495 4.542 -0.047 25849 142 1 . 1 1 33 33 SER C C 33 174.599 174.599 175.838 -1.239 25849 143 1 . 1 1 33 33 SER CA C 33 56.591 56.591 57.876 -1.285 25849 144 1 . 1 1 33 33 SER CB C 33 64.944 64.944 64.412 0.532 25849 145 1 . 1 1 34 34 LEU N N 34 121.555 121.555 123.328 -1.773 25849 146 1 . 1 1 34 34 LEU HA H 34 3.906 3.906 4.133 -0.227 25849 147 1 . 1 1 34 34 LEU C C 34 179.869 179.869 178.836 1.033 25849 148 1 . 1 1 34 34 LEU CA C 34 58.918 58.918 58.608 0.310 25849 149 1 . 1 1 34 34 LEU CB C 34 41.385 41.385 40.654 0.731 25849 150 1 . 1 1 35 35 THR N N 35 113.629 113.629 113.727 -0.098 25849 151 1 . 1 1 35 35 THR HA H 35 3.861 3.861 4.045 -0.184 25849 152 1 . 1 1 35 35 THR C C 35 176.846 176.846 176.413 0.433 25849 153 1 . 1 1 35 35 THR CA C 35 65.790 65.790 66.059 -0.269 25849 154 1 . 1 1 35 35 THR CB C 35 68.421 68.421 68.364 0.057 25849 155 1 . 1 1 36 36 GLU N N 36 122.918 122.918 121.430 1.488 25849 156 1 . 1 1 36 36 GLU HA H 36 3.911 3.911 4.039 -0.128 25849 157 1 . 1 1 36 36 GLU C C 36 178.858 178.858 178.878 -0.020 25849 158 1 . 1 1 36 36 GLU CA C 36 58.847 58.847 59.459 -0.612 25849 159 1 . 1 1 36 36 GLU CB C 36 30.538 30.538 28.876 1.662 25849 160 1 . 1 1 37 37 ARG N N 37 119.042 119.042 118.919 0.123 25849 161 1 . 1 1 37 37 ARG HA H 37 3.684 3.684 3.970 -0.287 25849 162 1 . 1 1 37 37 ARG C C 37 177.748 177.748 178.630 -0.882 25849 163 1 . 1 1 37 37 ARG CA C 37 60.036 60.036 59.005 1.031 25849 164 1 . 1 1 37 37 ARG CB C 37 30.812 30.812 30.062 0.750 25849 165 1 . 1 1 38 38 SER N N 38 113.447 113.447 114.603 -1.156 25849 166 1 . 1 1 38 38 SER HA H 38 4.004 4.004 4.191 -0.187 25849 167 1 . 1 1 38 38 SER C C 38 176.517 176.517 176.429 0.088 25849 168 1 . 1 1 38 38 SER CA C 38 61.804 61.804 61.392 0.412 25849 169 1 . 1 1 38 38 SER CB C 38 62.810 62.810 62.973 -0.163 25849 170 1 . 1 1 39 39 GLN N N 39 121.739 121.739 121.380 0.359 25849 171 1 . 1 1 39 39 GLN HA H 39 4.047 4.047 4.036 0.011 25849 172 1 . 1 1 39 39 GLN C C 39 178.889 178.889 178.456 0.433 25849 173 1 . 1 1 39 39 GLN CA C 39 59.090 59.090 59.176 -0.086 25849 174 1 . 1 1 39 39 GLN CB C 39 28.315 28.315 28.849 -0.534 25849 175 1 . 1 1 40 40 ILE N N 40 121.471 121.471 116.758 4.713 25849 176 1 . 1 1 40 40 ILE HA H 40 3.837 3.837 3.918 -0.081 25849 177 1 . 1 1 40 40 ILE C C 40 176.844 176.844 177.062 -0.218 25849 178 1 . 1 1 40 40 ILE CA C 40 64.398 64.398 61.982 2.416 25849 179 1 . 1 1 40 40 ILE CB C 40 38.175 38.175 36.430 1.745 25849 180 1 . 1 1 41 41 ALA N N 41 121.897 121.897 122.195 -0.298 25849 181 1 . 1 1 41 41 ALA HA H 41 3.594 3.594 4.111 -0.517 25849 182 1 . 1 1 41 41 ALA C C 41 179.238 179.238 178.771 0.467 25849 183 1 . 1 1 41 41 ALA CA C 41 55.926 55.926 54.529 1.397 25849 184 1 . 1 1 41 41 ALA CB C 41 17.584 17.584 19.065 -1.481 25849 185 1 . 1 1 42 42 HIS N N 42 114.139 114.139 120.519 -6.380 25849 186 1 . 1 1 42 42 HIS HA H 42 4.323 4.323 4.261 0.062 25849 187 1 . 1 1 42 42 HIS C C 42 178.003 178.003 178.028 -0.025 25849 188 1 . 1 1 42 42 HIS CA C 42 58.745 58.745 59.652 -0.907 25849 189 1 . 1 1 42 42 HIS CB C 42 28.762 28.762 29.921 -1.159 25849 190 1 . 1 1 43 43 ALA N N 43 121.931 121.931 122.057 -0.126 25849 191 1 . 1 1 43 43 ALA HA H 43 3.992 3.992 4.144 -0.152 25849 192 1 . 1 1 43 43 ALA C C 43 179.235 179.235 177.964 1.272 25849 193 1 . 1 1 43 43 ALA CA C 43 54.911 54.911 54.531 0.380 25849 194 1 . 1 1 43 43 ALA CB C 43 18.403 18.403 18.692 -0.289 25849 195 1 . 1 1 44 44 LEU N N 44 114.067 114.067 115.070 -1.003 25849 196 1 . 1 1 44 44 LEU HA H 44 4.239 4.239 4.453 -0.214 25849 197 1 . 1 1 44 44 LEU C C 44 175.891 175.891 176.142 -0.251 25849 198 1 . 1 1 44 44 LEU CA C 44 54.236 54.236 53.745 0.491 25849 199 1 . 1 1 44 44 LEU CB C 44 42.580 42.580 42.526 0.054 25849 200 1 . 1 1 45 45 LYS N N 45 116.940 116.940 116.564 0.376 25849 201 1 . 1 1 45 45 LYS HA H 45 3.877 3.877 3.822 0.055 25849 202 1 . 1 1 45 45 LYS C C 45 175.207 175.207 175.927 -0.720 25849 203 1 . 1 1 45 45 LYS CA C 45 57.254 57.254 57.398 -0.144 25849 204 1 . 1 1 45 45 LYS CB C 45 28.397 28.397 30.750 -2.353 25849 205 1 . 1 1 46 46 LEU N N 46 119.505 119.505 118.656 0.849 25849 206 1 . 1 1 46 46 LEU HA H 46 4.707 4.707 4.340 0.366 25849 207 1 . 1 1 46 46 LEU C C 46 175.958 175.958 176.070 -0.112 25849 208 1 . 1 1 46 46 LEU CA C 46 52.339 52.339 54.057 -1.718 25849 209 1 . 1 1 46 46 LEU CB C 46 47.312 47.312 43.485 3.827 25849 210 1 . 1 1 47 47 SER N N 47 114.844 114.844 114.618 0.226 25849 211 1 . 1 1 47 47 SER HA H 47 4.641 4.641 4.527 0.114 25849 212 1 . 1 1 47 47 SER C C 47 175.899 175.899 175.751 0.148 25849 213 1 . 1 1 47 47 SER CA C 47 56.675 56.675 57.674 -0.999 25849 214 1 . 1 1 47 47 SER CB C 47 64.911 64.911 64.307 0.604 25849 215 1 . 1 1 48 48 GLU N N 48 122.920 122.920 123.683 -0.763 25849 216 1 . 1 1 48 48 GLU HA H 48 3.595 3.595 4.053 -0.458 25849 217 1 . 1 1 48 48 GLU C C 48 178.430 178.430 178.654 -0.224 25849 218 1 . 1 1 48 48 GLU CA C 48 61.115 61.115 59.951 1.164 25849 219 1 . 1 1 48 48 GLU CB C 48 29.010 29.010 29.473 -0.463 25849 220 1 . 1 1 49 49 VAL N N 49 118.053 118.053 119.295 -1.242 25849 221 1 . 1 1 49 49 VAL HA H 49 3.690 3.690 3.780 -0.090 25849 222 1 . 1 1 49 49 VAL C C 49 177.001 177.001 178.132 -1.131 25849 223 1 . 1 1 49 49 VAL CA C 49 65.753 65.753 66.069 -0.316 25849 224 1 . 1 1 49 49 VAL CB C 49 31.809 31.809 31.249 0.560 25849 225 1 . 1 1 50 50 GLN N N 50 119.121 119.121 118.644 0.477 25849 226 1 . 1 1 50 50 GLN HA H 50 4.074 4.074 4.204 -0.130 25849 227 1 . 1 1 50 50 GLN C C 50 179.480 179.480 179.030 0.450 25849 228 1 . 1 1 50 50 GLN CA C 50 59.254 59.254 59.045 0.209 25849 229 1 . 1 1 50 50 GLN CB C 50 29.657 29.657 28.342 1.315 25849 230 1 . 1 1 51 51 VAL N N 51 118.983 118.983 119.853 -0.870 25849 231 1 . 1 1 51 51 VAL HA H 51 3.644 3.644 4.015 -0.371 25849 232 1 . 1 1 51 51 VAL C C 51 176.652 176.652 177.925 -1.273 25849 233 1 . 1 1 51 51 VAL CA C 51 67.421 67.421 67.059 0.362 25849 234 1 . 1 1 51 51 VAL CB C 51 32.160 32.160 31.218 0.942 25849 235 1 . 1 1 52 52 LYS N N 52 120.962 120.962 120.781 0.181 25849 236 1 . 1 1 52 52 LYS HA H 52 4.167 4.167 4.104 0.063 25849 237 1 . 1 1 52 52 LYS C C 52 179.592 179.592 179.287 0.305 25849 238 1 . 1 1 52 52 LYS CA C 52 59.948 59.948 59.828 0.120 25849 239 1 . 1 1 52 52 LYS CB C 52 33.291 33.291 32.188 1.103 25849 240 1 . 1 1 53 53 ILE N N 53 120.085 120.085 119.543 0.542 25849 241 1 . 1 1 53 53 ILE HA H 53 3.735 3.735 3.890 -0.155 25849 242 1 . 1 1 53 53 ILE C C 53 177.452 177.452 177.888 -0.436 25849 243 1 . 1 1 53 53 ILE CA C 53 64.226 64.226 64.592 -0.366 25849 244 1 . 1 1 53 53 ILE CB C 53 38.026 38.026 37.781 0.245 25849 245 1 . 1 1 54 54 TRP N N 54 122.169 122.169 122.577 -0.408 25849 246 1 . 1 1 54 54 TRP HA H 54 3.987 3.987 4.100 -0.113 25849 247 1 . 1 1 54 54 TRP C C 54 179.143 179.143 178.069 1.074 25849 248 1 . 1 1 54 54 TRP CA C 54 63.592 63.592 61.990 1.602 25849 249 1 . 1 1 54 54 TRP CB C 54 28.940 28.940 29.565 -0.625 25849 250 1 . 1 1 55 55 PHE N N 55 118.530 118.530 117.711 0.819 25849 251 1 . 1 1 55 55 PHE HA H 55 3.654 3.654 4.267 -0.613 25849 252 1 . 1 1 55 55 PHE C C 55 177.833 177.833 178.168 -0.335 25849 253 1 . 1 1 55 55 PHE CA C 55 63.202 63.202 62.847 0.355 25849 254 1 . 1 1 55 55 PHE CB C 55 39.539 39.539 38.953 0.586 25849 255 1 . 1 1 56 56 GLN N N 56 118.313 118.313 118.293 0.020 25849 256 1 . 1 1 56 56 GLN HA H 56 3.889 3.889 4.018 -0.129 25849 257 1 . 1 1 56 56 GLN C C 56 179.052 179.052 178.173 0.879 25849 258 1 . 1 1 56 56 GLN CA C 56 59.485 59.485 59.067 0.418 25849 259 1 . 1 1 56 56 GLN CB C 56 28.569 28.569 28.173 0.396 25849 260 1 . 1 1 57 57 ASN N N 57 119.607 119.607 118.533 1.074 25849 261 1 . 1 1 57 57 ASN HA H 57 4.281 4.281 4.412 -0.131 25849 262 1 . 1 1 57 57 ASN C C 57 177.385 177.385 177.422 -0.037 25849 263 1 . 1 1 57 57 ASN CA C 57 55.392 55.392 56.164 -0.773 25849 264 1 . 1 1 57 57 ASN CB C 57 37.833 37.833 38.404 -0.571 25849 265 1 . 1 1 58 58 GLU N N 58 124.516 124.516 120.685 3.831 25849 266 1 . 1 1 58 58 GLU HA H 58 3.361 3.361 3.848 -0.487 25849 267 1 . 1 1 58 58 GLU C C 58 179.522 179.522 178.419 1.103 25849 268 1 . 1 1 58 58 GLU CA C 58 58.287 58.287 58.565 -0.278 25849 269 1 . 1 1 58 58 GLU CB C 58 27.532 27.532 29.019 -1.487 25849 270 1 . 1 1 59 59 ARG N N 59 118.692 118.692 119.798 -1.106 25849 271 1 . 1 1 59 59 ARG HA H 59 4.140 4.140 4.440 -0.300 25849 272 1 . 1 1 59 59 ARG C C 59 178.813 178.813 178.487 0.326 25849 273 1 . 1 1 59 59 ARG CA C 59 60.913 60.913 59.367 1.546 25849 274 1 . 1 1 59 59 ARG CB C 59 31.691 31.691 30.189 1.502 25849 275 1 . 1 1 60 60 ALA N N 60 120.662 120.662 121.073 -0.411 25849 276 1 . 1 1 60 60 ALA HA H 60 4.083 4.083 4.255 -0.172 25849 277 1 . 1 1 60 60 ALA C C 60 179.753 179.753 178.767 0.986 25849 278 1 . 1 1 60 60 ALA CA C 60 54.800 54.800 54.675 0.125 25849 279 1 . 1 1 60 60 ALA CB C 60 17.898 17.898 18.562 -0.664 25849 280 1 . 1 1 61 61 LYS N N 61 118.620 118.620 118.886 -0.266 25849 281 1 . 1 1 61 61 LYS HA H 61 3.841 3.841 4.016 -0.175 25849 282 1 . 1 1 61 61 LYS C C 61 177.994 177.994 178.771 -0.777 25849 283 1 . 1 1 61 61 LYS CA C 61 58.772 58.772 58.716 0.056 25849 284 1 . 1 1 61 61 LYS CB C 61 32.495 32.495 32.188 0.307 25849 285 1 . 1 1 62 62 TRP N N 62 120.517 120.517 121.649 -1.132 25849 286 1 . 1 1 62 62 TRP HA H 62 4.327 4.327 4.392 -0.065 25849 287 1 . 1 1 62 62 TRP C C 62 177.118 177.118 178.340 -1.222 25849 288 1 . 1 1 62 62 TRP CA C 62 59.336 59.336 60.944 -1.608 25849 289 1 . 1 1 62 62 TRP CB C 62 29.119 29.119 30.130 -1.011 25849 290 1 . 1 1 63 63 LYS N N 63 119.074 119.074 118.814 0.260 25849 291 1 . 1 1 63 63 LYS HA H 63 3.795 3.795 4.160 -0.365 25849 292 1 . 1 1 63 63 LYS C C 63 177.429 177.429 178.703 -1.274 25849 293 1 . 1 1 63 63 LYS CA C 63 58.089 58.089 59.323 -1.234 25849 294 1 . 1 1 63 63 LYS CB C 63 32.745 32.745 32.175 0.569 25849 295 1 . 1 1 64 64 ARG N N 64 118.825 118.825 117.804 1.021 25849 296 1 . 1 1 64 64 ARG HA H 64 4.084 4.084 4.172 -0.088 25849 297 1 . 1 1 64 64 ARG C C 64 177.231 177.231 177.862 -0.631 25849 298 1 . 1 1 64 64 ARG CA C 64 57.470 57.470 58.103 -0.633 25849 299 1 . 1 1 64 64 ARG CB C 64 30.278 30.278 30.130 0.148 25849 300 1 . 1 1 65 65 ILE N N 65 120.523 120.523 118.787 1.736 25849 301 1 . 1 1 65 65 ILE HA H 65 3.873 3.873 3.811 0.062 25849 302 1 . 1 1 65 65 ILE C C 65 177.198 177.198 176.527 0.671 25849 303 1 . 1 1 65 65 ILE CA C 65 62.392 62.392 62.458 -0.066 25849 304 1 . 1 1 65 65 ILE CB C 65 38.398 38.398 37.578 0.820 25849 305 1 . 1 1 66 66 LYS N N 66 123.201 123.201 120.408 2.793 25849 306 1 . 1 1 66 66 LYS HA H 66 4.073 4.073 4.110 -0.037 25849 307 1 . 1 1 66 66 LYS C C 66 176.387 176.387 176.645 -0.258 25849 308 1 . 1 1 66 66 LYS CA C 66 56.625 56.625 56.743 -0.118 25849 309 1 . 1 1 66 66 LYS CB C 66 32.364 32.364 31.000 1.364 25849 310 1 . 1 1 67 67 ALA N N 67 123.500 123.500 123.618 -0.118 25849 311 1 . 1 1 67 67 ALA HA H 67 4.202 4.202 4.123 0.079 25849 312 1 . 1 1 67 67 ALA C C 67 177.870 177.870 178.075 -0.204 25849 313 1 . 1 1 67 67 ALA CA C 67 52.583 52.583 53.498 -0.915 25849 314 1 . 1 1 67 67 ALA CB C 67 19.086 19.086 18.739 0.347 25849 315 1 . 1 1 68 68 GLY N N 68 107.120 107.120 106.455 0.665 25849 316 1 . 1 1 68 68 GLY C C 68 173.688 173.688 174.069 -0.381 25849 317 1 . 1 1 68 68 GLY CA C 68 45.348 45.348 44.986 0.362 25849 318 1 . 1 1 69 69 ASN N N 69 118.671 118.671 118.974 -0.303 25849 319 1 . 1 1 69 69 ASN HA H 69 4.683 4.683 4.776 -0.093 25849 320 1 . 1 1 69 69 ASN C C 69 174.792 174.792 175.648 -0.856 25849 321 1 . 1 1 69 69 ASN CA C 69 53.009 53.009 53.131 -0.122 25849 322 1 . 1 1 69 69 ASN CB C 69 39.064 39.064 39.367 -0.303 25849 323 1 . 1 1 70 70 VAL N N 70 119.480 119.480 119.546 -0.066 25849 324 1 . 1 1 70 70 VAL HA H 70 4.130 4.130 3.945 0.185 25849 325 1 . 1 1 70 70 VAL C C 70 175.126 175.126 175.747 -0.621 25849 326 1 . 1 1 70 70 VAL CA C 70 62.091 62.091 63.592 -1.501 25849 327 1 . 1 1 70 70 VAL CB C 70 32.863 32.863 31.286 1.577 25849 stop_ save_