data_19832 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19832 _Entry.PDB_ID 2MLU 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 19832 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 124.386 124.386 122.787 1.599 19832 2 1 1 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.612 -0.228 19832 3 1 1 . 1 1 2 2 LYS CB C 2 32.959 32.959 34.105 -1.146 19832 4 1 1 . 1 1 2 2 LYS H H 2 9.052 9.052 7.990 1.062 19832 5 1 1 . 1 1 3 3 THR N N 3 116.039 116.039 119.662 -3.623 19832 6 1 1 . 1 1 3 3 THR HA H 3 4.216 4.216 4.143 0.073 19832 7 1 1 . 1 1 3 3 THR CB C 3 68.928 68.928 68.759 0.169 19832 8 1 1 . 1 1 3 3 THR H H 3 8.478 8.478 8.881 -0.403 19832 9 1 1 . 1 1 4 4 ILE N N 4 121.132 121.132 118.570 2.562 19832 10 1 1 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.960 0.150 19832 11 1 1 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.797 -0.225 19832 12 1 1 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.826 1.128 19832 13 1 1 . 1 1 4 4 ILE H H 4 8.556 8.556 7.841 0.715 19832 14 1 1 . 1 1 5 5 LEU N N 5 119.569 119.569 121.029 -1.460 19832 15 1 1 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.936 0.250 19832 16 1 1 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.294 -1.077 19832 17 1 1 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.072 0.008 19832 18 1 1 . 1 1 5 5 LEU H H 5 7.935 7.935 8.418 -0.483 19832 19 1 1 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.956 0.171 19832 20 1 1 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.950 -0.239 19832 21 1 1 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.806 -0.119 19832 22 1 1 . 1 1 6 6 ARG H H 6 8.008 8.008 7.799 0.209 19832 23 1 1 . 1 1 7 7 PHE N N 7 118.637 118.637 117.180 1.457 19832 24 1 1 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.394 0.084 19832 25 1 1 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.820 0.293 19832 26 1 1 . 1 1 7 7 PHE H H 7 7.948 7.948 7.781 0.167 19832 27 1 1 . 1 1 8 8 VAL N N 8 116.441 116.441 121.014 -4.573 19832 28 1 1 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.745 0.148 19832 29 1 1 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.309 -0.344 19832 30 1 1 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.768 0.097 19832 31 1 1 . 1 1 8 8 VAL H H 8 8.014 8.014 8.065 -0.051 19832 32 1 1 . 1 1 9 9 ALA N N 9 121.442 121.442 120.683 0.759 19832 33 1 1 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.117 0.111 19832 34 1 1 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.910 -0.443 19832 35 1 1 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.189 0.290 19832 36 1 1 . 1 1 9 9 ALA H H 9 8.083 8.083 8.477 -0.394 19832 37 1 1 . 1 1 10 10 GLY N N 10 104.589 104.589 105.384 -0.795 19832 38 1 1 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.904 -1.241 19832 39 1 1 . 1 1 10 10 GLY H H 10 8.134 8.134 8.019 0.115 19832 40 1 1 . 1 1 11 11 TYR N N 11 118.591 118.591 123.314 -4.723 19832 41 1 1 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.115 0.208 19832 42 1 1 . 1 1 11 11 TYR H H 11 8.006 8.006 7.431 0.575 19832 43 1 1 . 1 1 12 12 ASP N N 12 119.339 119.339 117.068 2.271 19832 44 1 1 . 1 1 12 12 ASP HA H 12 4.609 4.609 3.963 0.646 19832 45 1 1 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.748 -2.659 19832 46 1 1 . 1 1 12 12 ASP H H 12 8.414 8.414 7.750 0.664 19832 47 1 1 . 1 1 13 13 ILE N N 13 119.097 119.097 118.292 0.805 19832 48 1 1 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.965 0.029 19832 49 1 1 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.173 1.974 19832 50 1 1 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.270 1.214 19832 51 1 1 . 1 1 13 13 ILE H H 13 8.156 8.156 7.451 0.705 19832 52 1 1 . 1 1 14 14 ALA N N 14 123.581 123.581 123.886 -0.305 19832 53 1 1 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.078 0.160 19832 54 1 1 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.975 -1.357 19832 55 1 1 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.161 0.656 19832 56 1 1 . 1 1 14 14 ALA H H 14 8.274 8.274 8.314 -0.040 19832 57 1 1 . 1 1 15 15 SER N N 15 112.583 112.583 112.946 -0.363 19832 58 1 1 . 1 1 15 15 SER HA H 15 4.299 4.299 4.148 0.151 19832 59 1 1 . 1 1 15 15 SER CA C 15 59.441 59.441 60.819 -1.378 19832 60 1 1 . 1 1 15 15 SER CB C 15 63.403 63.403 63.040 0.363 19832 61 1 1 . 1 1 15 15 SER H H 15 8.061 8.061 7.897 0.164 19832 62 1 1 . 1 1 16 16 HIS N N 16 120.408 120.408 118.159 2.249 19832 63 1 1 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.554 0.142 19832 64 1 1 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.264 -1.781 19832 65 1 1 . 1 1 16 16 HIS H H 16 8.159 8.159 7.290 0.869 19832 66 1 1 . 1 1 17 17 LYS N N 17 120.845 120.845 119.657 1.188 19832 67 1 1 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.216 0.109 19832 68 1 1 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.038 -1.356 19832 69 1 1 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.296 -0.300 19832 70 1 1 . 1 1 17 17 LYS H H 17 8.080 8.080 8.194 -0.114 19832 71 1 1 . 1 1 18 18 LYS N N 18 121.661 121.661 117.243 4.418 19832 72 1 1 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.440 -0.107 19832 73 1 1 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.795 0.784 19832 74 1 1 . 1 1 18 18 LYS H H 18 8.231 8.231 7.788 0.443 19832 75 1 1 . 1 1 19 19 LYS N N 19 122.316 122.316 123.736 -1.420 19832 76 1 1 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.566 -0.165 19832 77 1 1 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.505 0.095 19832 78 1 1 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.561 0.412 19832 79 1 1 . 1 1 19 19 LYS H H 19 8.392 8.392 8.378 0.014 19832 80 1 1 . 1 1 20 20 THR N N 20 113.974 113.974 117.290 -3.316 19832 81 1 1 . 1 1 20 20 THR HA H 20 4.405 4.405 4.508 -0.103 19832 82 1 1 . 1 1 20 20 THR CA C 20 61.680 61.680 62.230 -0.550 19832 83 1 1 . 1 1 20 20 THR CB C 20 69.817 69.817 69.373 0.444 19832 84 1 1 . 1 1 20 20 THR H H 20 8.085 8.085 8.237 -0.152 19832 85 1 1 . 1 1 21 21 GLY N N 21 110.706 110.706 110.787 -0.081 19832 86 1 1 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.293 0.017 19832 87 1 1 . 1 1 21 21 GLY H H 21 8.360 8.360 8.329 0.031 19832 88 1 1 . 1 1 22 22 GLY N N 22 107.728 107.728 109.811 -2.083 19832 89 1 1 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.957 0.218 19832 90 1 1 . 1 1 22 22 GLY H H 22 8.146 8.146 7.760 0.386 19832 91 1 1 . 1 1 23 23 TYR N N 23 119.224 119.224 120.223 -0.999 19832 92 1 1 . 1 1 23 23 TYR HA H 23 4.507 4.507 5.012 -0.505 19832 93 1 1 . 1 1 23 23 TYR H H 23 7.870 7.870 7.715 0.155 19832 94 1 1 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.412 -0.031 19832 95 1 1 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.075 -0.628 19832 96 1 1 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.145 -0.629 19832 97 1 1 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.949 -0.563 19832 98 1 1 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.277 0.475 19832 99 1 1 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.883 -1.395 19832 100 1 1 . 1 1 25 25 TRP H H 25 6.924 6.924 7.942 -1.018 19832 101 1 1 . 1 1 26 26 GLU N N 26 119.971 119.971 122.208 -2.237 19832 102 1 1 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.037 0.416 19832 103 1 1 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.033 0.612 19832 104 1 1 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.000 0.805 19832 105 1 1 . 1 1 26 26 GLU H H 26 7.653 7.653 7.627 0.026 19832 106 1 1 . 1 1 27 27 ARG N N 27 120.787 120.787 123.491 -2.704 19832 107 1 1 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.298 0.059 19832 108 1 1 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.566 -0.160 19832 109 1 1 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.681 0.082 19832 110 1 1 . 1 1 27 27 ARG H H 27 8.162 8.162 7.699 0.463 19832 111 1 1 . 1 1 28 28 GLY N N 28 109.282 109.282 107.312 1.970 19832 112 1 1 . 1 1 28 28 GLY H H 28 8.483 8.483 7.559 0.924 19832 113 1 1 . 1 1 29 29 LYS N N 29 120.396 120.396 119.914 0.482 19832 114 1 1 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.186 0.217 19832 115 1 1 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.900 -1.025 19832 116 1 1 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.136 0.157 19832 117 1 1 . 1 1 29 29 LYS H H 29 8.112 8.112 8.037 0.075 19832 118 1 2 . 1 1 2 2 LYS N N 2 124.386 124.386 123.382 1.004 19832 119 1 2 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.642 -0.258 19832 120 1 2 . 1 1 2 2 LYS CB C 2 32.959 32.959 34.088 -1.129 19832 121 1 2 . 1 1 2 2 LYS H H 2 9.052 9.052 8.285 0.767 19832 122 1 2 . 1 1 3 3 THR N N 3 116.039 116.039 120.107 -4.068 19832 123 1 2 . 1 1 3 3 THR HA H 3 4.216 4.216 4.115 0.101 19832 124 1 2 . 1 1 3 3 THR CB C 3 68.928 68.928 68.839 0.089 19832 125 1 2 . 1 1 3 3 THR H H 3 8.478 8.478 8.956 -0.478 19832 126 1 2 . 1 1 4 4 ILE N N 4 121.132 121.132 118.655 2.477 19832 127 1 2 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.967 0.143 19832 128 1 2 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.832 -0.260 19832 129 1 2 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.834 1.120 19832 130 1 2 . 1 1 4 4 ILE H H 4 8.556 8.556 7.870 0.686 19832 131 1 2 . 1 1 5 5 LEU N N 5 119.569 119.569 121.052 -1.483 19832 132 1 2 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.946 0.240 19832 133 1 2 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.290 -1.072 19832 134 1 2 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.079 0.001 19832 135 1 2 . 1 1 5 5 LEU H H 5 7.935 7.935 8.423 -0.488 19832 136 1 2 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.954 0.173 19832 137 1 2 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.944 -0.233 19832 138 1 2 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.786 -0.099 19832 139 1 2 . 1 1 6 6 ARG H H 6 8.008 8.008 7.805 0.203 19832 140 1 2 . 1 1 7 7 PHE N N 7 118.637 118.637 117.559 1.078 19832 141 1 2 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.379 0.099 19832 142 1 2 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.908 0.205 19832 143 1 2 . 1 1 7 7 PHE H H 7 7.948 7.948 7.767 0.181 19832 144 1 2 . 1 1 8 8 VAL N N 8 116.441 116.441 120.769 -4.328 19832 145 1 2 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.676 0.217 19832 146 1 2 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.652 -0.687 19832 147 1 2 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.836 0.029 19832 148 1 2 . 1 1 8 8 VAL H H 8 8.014 8.014 8.099 -0.085 19832 149 1 2 . 1 1 9 9 ALA N N 9 121.442 121.442 120.655 0.787 19832 150 1 2 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.095 0.133 19832 151 1 2 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.823 -0.356 19832 152 1 2 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.232 0.247 19832 153 1 2 . 1 1 9 9 ALA H H 9 8.083 8.083 8.516 -0.433 19832 154 1 2 . 1 1 10 10 GLY N N 10 104.589 104.589 105.268 -0.679 19832 155 1 2 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.777 -1.114 19832 156 1 2 . 1 1 10 10 GLY H H 10 8.134 8.134 7.918 0.216 19832 157 1 2 . 1 1 11 11 TYR N N 11 118.591 118.591 123.442 -4.851 19832 158 1 2 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.107 0.216 19832 159 1 2 . 1 1 11 11 TYR H H 11 8.006 8.006 7.607 0.399 19832 160 1 2 . 1 1 12 12 ASP N N 12 119.339 119.339 118.038 1.301 19832 161 1 2 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.131 0.478 19832 162 1 2 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.690 -2.601 19832 163 1 2 . 1 1 12 12 ASP H H 12 8.414 8.414 7.855 0.559 19832 164 1 2 . 1 1 13 13 ILE N N 13 119.097 119.097 118.216 0.881 19832 165 1 2 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.946 0.048 19832 166 1 2 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.835 1.312 19832 167 1 2 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.535 0.950 19832 168 1 2 . 1 1 13 13 ILE H H 13 8.156 8.156 7.503 0.653 19832 169 1 2 . 1 1 14 14 ALA N N 14 123.581 123.581 123.068 0.513 19832 170 1 2 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.111 0.127 19832 171 1 2 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.920 -1.302 19832 172 1 2 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.085 0.732 19832 173 1 2 . 1 1 14 14 ALA H H 14 8.274 8.274 8.338 -0.064 19832 174 1 2 . 1 1 15 15 SER N N 15 112.583 112.583 112.320 0.263 19832 175 1 2 . 1 1 15 15 SER HA H 15 4.299 4.299 4.065 0.234 19832 176 1 2 . 1 1 15 15 SER CA C 15 59.441 59.441 60.804 -1.363 19832 177 1 2 . 1 1 15 15 SER CB C 15 63.403 63.403 63.009 0.394 19832 178 1 2 . 1 1 15 15 SER H H 15 8.061 8.061 7.915 0.146 19832 179 1 2 . 1 1 16 16 HIS N N 16 120.408 120.408 117.804 2.604 19832 180 1 2 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.502 0.194 19832 181 1 2 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.285 -1.802 19832 182 1 2 . 1 1 16 16 HIS H H 16 8.159 8.159 7.700 0.459 19832 183 1 2 . 1 1 17 17 LYS N N 17 120.845 120.845 119.931 0.914 19832 184 1 2 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.246 0.079 19832 185 1 2 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.138 -1.456 19832 186 1 2 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.315 -0.319 19832 187 1 2 . 1 1 17 17 LYS H H 17 8.080 8.080 7.656 0.424 19832 188 1 2 . 1 1 18 18 LYS N N 18 121.661 121.661 116.618 5.043 19832 189 1 2 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.462 -0.129 19832 190 1 2 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.099 0.480 19832 191 1 2 . 1 1 18 18 LYS H H 18 8.231 8.231 7.849 0.382 19832 192 1 2 . 1 1 19 19 LYS N N 19 122.316 122.316 124.250 -1.934 19832 193 1 2 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.598 -0.197 19832 194 1 2 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.481 0.119 19832 195 1 2 . 1 1 19 19 LYS CB C 19 32.973 32.973 31.985 0.988 19832 196 1 2 . 1 1 19 19 LYS H H 19 8.392 8.392 8.468 -0.076 19832 197 1 2 . 1 1 20 20 THR N N 20 113.974 113.974 116.650 -2.676 19832 198 1 2 . 1 1 20 20 THR HA H 20 4.405 4.405 4.459 -0.054 19832 199 1 2 . 1 1 20 20 THR CA C 20 61.680 61.680 62.128 -0.448 19832 200 1 2 . 1 1 20 20 THR CB C 20 69.817 69.817 69.614 0.203 19832 201 1 2 . 1 1 20 20 THR H H 20 8.085 8.085 8.366 -0.281 19832 202 1 2 . 1 1 21 21 GLY N N 21 110.706 110.706 110.777 -0.071 19832 203 1 2 . 1 1 21 21 GLY CA C 21 45.310 45.310 44.499 0.811 19832 204 1 2 . 1 1 21 21 GLY H H 21 8.360 8.360 8.247 0.113 19832 205 1 2 . 1 1 22 22 GLY N N 22 107.728 107.728 111.181 -3.453 19832 206 1 2 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.970 0.205 19832 207 1 2 . 1 1 22 22 GLY H H 22 8.146 8.146 8.072 0.074 19832 208 1 2 . 1 1 23 23 TYR N N 23 119.224 119.224 120.665 -1.441 19832 209 1 2 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.878 -0.371 19832 210 1 2 . 1 1 23 23 TYR H H 23 7.870 7.870 7.694 0.176 19832 211 1 2 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.405 -0.024 19832 212 1 2 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.100 -0.653 19832 213 1 2 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.167 -0.651 19832 214 1 2 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.943 -0.557 19832 215 1 2 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.286 0.466 19832 216 1 2 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.901 -1.413 19832 217 1 2 . 1 1 25 25 TRP H H 25 6.924 6.924 7.985 -1.061 19832 218 1 2 . 1 1 26 26 GLU N N 26 119.971 119.971 122.417 -2.446 19832 219 1 2 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.042 0.411 19832 220 1 2 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.080 0.565 19832 221 1 2 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.944 0.861 19832 222 1 2 . 1 1 26 26 GLU H H 26 7.653 7.653 7.632 0.021 19832 223 1 2 . 1 1 27 27 ARG N N 27 120.787 120.787 122.793 -2.006 19832 224 1 2 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.214 0.143 19832 225 1 2 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.645 -0.240 19832 226 1 2 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.919 -0.156 19832 227 1 2 . 1 1 27 27 ARG H H 27 8.162 8.162 7.684 0.478 19832 228 1 2 . 1 1 28 28 GLY N N 28 109.282 109.282 106.230 3.052 19832 229 1 2 . 1 1 28 28 GLY H H 28 8.483 8.483 7.483 1.000 19832 230 1 2 . 1 1 29 29 LYS N N 29 120.396 120.396 117.898 2.498 19832 231 1 2 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.487 -0.084 19832 232 1 2 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.312 -0.437 19832 233 1 2 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.122 0.171 19832 234 1 2 . 1 1 29 29 LYS H H 29 8.112 8.112 8.509 -0.397 19832 235 1 3 . 1 1 2 2 LYS N N 2 124.386 124.386 123.344 1.042 19832 236 1 3 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.214 0.170 19832 237 1 3 . 1 1 2 2 LYS CB C 2 32.959 32.959 32.661 0.298 19832 238 1 3 . 1 1 2 2 LYS H H 2 9.052 9.052 8.639 0.413 19832 239 1 3 . 1 1 3 3 THR N N 3 116.039 116.039 119.762 -3.723 19832 240 1 3 . 1 1 3 3 THR HA H 3 4.216 4.216 4.028 0.188 19832 241 1 3 . 1 1 3 3 THR CB C 3 68.928 68.928 68.778 0.150 19832 242 1 3 . 1 1 3 3 THR H H 3 8.478 8.478 8.712 -0.234 19832 243 1 3 . 1 1 4 4 ILE N N 4 121.132 121.132 117.840 3.292 19832 244 1 3 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.929 0.181 19832 245 1 3 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.880 -0.308 19832 246 1 3 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.982 0.972 19832 247 1 3 . 1 1 4 4 ILE H H 4 8.556 8.556 7.841 0.715 19832 248 1 3 . 1 1 5 5 LEU N N 5 119.569 119.569 121.003 -1.434 19832 249 1 3 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.939 0.247 19832 250 1 3 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.290 -1.072 19832 251 1 3 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.081 -0.001 19832 252 1 3 . 1 1 5 5 LEU H H 5 7.935 7.935 8.428 -0.493 19832 253 1 3 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.949 0.178 19832 254 1 3 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.865 -0.154 19832 255 1 3 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.735 -0.048 19832 256 1 3 . 1 1 6 6 ARG H H 6 8.008 8.008 7.811 0.197 19832 257 1 3 . 1 1 7 7 PHE N N 7 118.637 118.637 117.140 1.497 19832 258 1 3 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.383 0.095 19832 259 1 3 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.787 0.326 19832 260 1 3 . 1 1 7 7 PHE H H 7 7.948 7.948 7.772 0.176 19832 261 1 3 . 1 1 8 8 VAL N N 8 116.441 116.441 120.992 -4.551 19832 262 1 3 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.724 0.169 19832 263 1 3 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.281 -0.316 19832 264 1 3 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.767 0.098 19832 265 1 3 . 1 1 8 8 VAL H H 8 8.014 8.014 8.058 -0.044 19832 266 1 3 . 1 1 9 9 ALA N N 9 121.442 121.442 120.641 0.801 19832 267 1 3 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.117 0.111 19832 268 1 3 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.891 -0.424 19832 269 1 3 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.190 0.289 19832 270 1 3 . 1 1 9 9 ALA H H 9 8.083 8.083 8.464 -0.381 19832 271 1 3 . 1 1 10 10 GLY N N 10 104.589 104.589 105.123 -0.534 19832 272 1 3 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.876 -1.213 19832 273 1 3 . 1 1 10 10 GLY H H 10 8.134 8.134 8.031 0.103 19832 274 1 3 . 1 1 11 11 TYR N N 11 118.591 118.591 123.679 -5.088 19832 275 1 3 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.160 0.163 19832 276 1 3 . 1 1 11 11 TYR H H 11 8.006 8.006 7.485 0.521 19832 277 1 3 . 1 1 12 12 ASP N N 12 119.339 119.339 118.222 1.117 19832 278 1 3 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.047 0.562 19832 279 1 3 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.483 -2.394 19832 280 1 3 . 1 1 12 12 ASP H H 12 8.414 8.414 7.842 0.572 19832 281 1 3 . 1 1 13 13 ILE N N 13 119.097 119.097 117.857 1.240 19832 282 1 3 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.949 0.045 19832 283 1 3 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.319 1.828 19832 284 1 3 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.260 1.224 19832 285 1 3 . 1 1 13 13 ILE H H 13 8.156 8.156 7.444 0.712 19832 286 1 3 . 1 1 14 14 ALA N N 14 123.581 123.581 122.659 0.922 19832 287 1 3 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.205 0.033 19832 288 1 3 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.743 -1.125 19832 289 1 3 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.658 0.159 19832 290 1 3 . 1 1 14 14 ALA H H 14 8.274 8.274 8.101 0.173 19832 291 1 3 . 1 1 15 15 SER N N 15 112.583 112.583 115.284 -2.701 19832 292 1 3 . 1 1 15 15 SER HA H 15 4.299 4.299 4.151 0.148 19832 293 1 3 . 1 1 15 15 SER CA C 15 59.441 59.441 61.018 -1.577 19832 294 1 3 . 1 1 15 15 SER CB C 15 63.403 63.403 62.942 0.461 19832 295 1 3 . 1 1 15 15 SER H H 15 8.061 8.061 7.897 0.164 19832 296 1 3 . 1 1 16 16 HIS N N 16 120.408 120.408 118.098 2.310 19832 297 1 3 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.755 -0.059 19832 298 1 3 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.735 -1.252 19832 299 1 3 . 1 1 16 16 HIS H H 16 8.159 8.159 7.703 0.456 19832 300 1 3 . 1 1 17 17 LYS N N 17 120.845 120.845 120.356 0.489 19832 301 1 3 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.239 0.086 19832 302 1 3 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.436 -1.754 19832 303 1 3 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.380 -0.384 19832 304 1 3 . 1 1 17 17 LYS H H 17 8.080 8.080 7.897 0.183 19832 305 1 3 . 1 1 18 18 LYS N N 18 121.661 121.661 116.130 5.531 19832 306 1 3 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.632 -0.299 19832 307 1 3 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.549 1.030 19832 308 1 3 . 1 1 18 18 LYS H H 18 8.231 8.231 8.240 -0.009 19832 309 1 3 . 1 1 19 19 LYS N N 19 122.316 122.316 120.112 2.204 19832 310 1 3 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.381 0.020 19832 311 1 3 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.512 0.088 19832 312 1 3 . 1 1 19 19 LYS CB C 19 32.973 32.973 34.547 -1.574 19832 313 1 3 . 1 1 19 19 LYS H H 19 8.392 8.392 8.414 -0.022 19832 314 1 3 . 1 1 20 20 THR N N 20 113.974 113.974 117.470 -3.496 19832 315 1 3 . 1 1 20 20 THR HA H 20 4.405 4.405 4.405 0.000 19832 316 1 3 . 1 1 20 20 THR CA C 20 61.680 61.680 61.469 0.211 19832 317 1 3 . 1 1 20 20 THR CB C 20 69.817 69.817 67.360 2.457 19832 318 1 3 . 1 1 20 20 THR H H 20 8.085 8.085 8.418 -0.333 19832 319 1 3 . 1 1 21 21 GLY N N 21 110.706 110.706 113.930 -3.224 19832 320 1 3 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.292 0.018 19832 321 1 3 . 1 1 21 21 GLY H H 21 8.360 8.360 8.540 -0.180 19832 322 1 3 . 1 1 22 22 GLY N N 22 107.728 107.728 111.782 -4.054 19832 323 1 3 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.624 0.551 19832 324 1 3 . 1 1 22 22 GLY H H 22 8.146 8.146 7.849 0.297 19832 325 1 3 . 1 1 23 23 TYR N N 23 119.224 119.224 119.611 -0.387 19832 326 1 3 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.847 -0.340 19832 327 1 3 . 1 1 23 23 TYR H H 23 7.870 7.870 7.574 0.296 19832 328 1 3 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.489 -0.108 19832 329 1 3 . 1 1 24 24 PRO CA C 24 64.447 64.447 64.640 -0.193 19832 330 1 3 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.380 -0.864 19832 331 1 3 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.892 -0.506 19832 332 1 3 . 1 1 25 25 TRP CA C 25 57.752 57.752 56.804 0.948 19832 333 1 3 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.807 -1.319 19832 334 1 3 . 1 1 25 25 TRP H H 25 6.924 6.924 7.893 -0.969 19832 335 1 3 . 1 1 26 26 GLU N N 26 119.971 119.971 122.831 -2.860 19832 336 1 3 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.020 0.433 19832 337 1 3 . 1 1 26 26 GLU CA C 26 55.645 55.645 56.006 -0.361 19832 338 1 3 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.725 1.080 19832 339 1 3 . 1 1 26 26 GLU H H 26 7.653 7.653 7.540 0.113 19832 340 1 3 . 1 1 27 27 ARG N N 27 120.787 120.787 123.384 -2.597 19832 341 1 3 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.404 -0.047 19832 342 1 3 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.367 0.039 19832 343 1 3 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.474 -0.711 19832 344 1 3 . 1 1 27 27 ARG H H 27 8.162 8.162 7.675 0.487 19832 345 1 3 . 1 1 28 28 GLY N N 28 109.282 109.282 109.592 -0.310 19832 346 1 3 . 1 1 28 28 GLY H H 28 8.483 8.483 8.112 0.371 19832 347 1 3 . 1 1 29 29 LYS N N 29 120.396 120.396 119.472 0.924 19832 348 1 3 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.172 0.231 19832 349 1 3 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.801 -0.926 19832 350 1 3 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.231 1.062 19832 351 1 3 . 1 1 29 29 LYS H H 29 8.112 8.112 8.231 -0.119 19832 352 1 4 . 1 1 2 2 LYS N N 2 124.386 124.386 122.498 1.888 19832 353 1 4 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.682 -0.298 19832 354 1 4 . 1 1 2 2 LYS CB C 2 32.959 32.959 34.059 -1.100 19832 355 1 4 . 1 1 2 2 LYS H H 2 9.052 9.052 8.122 0.930 19832 356 1 4 . 1 1 3 3 THR N N 3 116.039 116.039 119.426 -3.387 19832 357 1 4 . 1 1 3 3 THR HA H 3 4.216 4.216 4.070 0.146 19832 358 1 4 . 1 1 3 3 THR CB C 3 68.928 68.928 68.711 0.217 19832 359 1 4 . 1 1 3 3 THR H H 3 8.478 8.478 8.906 -0.428 19832 360 1 4 . 1 1 4 4 ILE N N 4 121.132 121.132 117.885 3.247 19832 361 1 4 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.940 0.170 19832 362 1 4 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.842 -0.270 19832 363 1 4 . 1 1 4 4 ILE CB C 4 37.954 37.954 37.015 0.939 19832 364 1 4 . 1 1 4 4 ILE H H 4 8.556 8.556 7.833 0.723 19832 365 1 4 . 1 1 5 5 LEU N N 5 119.569 119.569 121.019 -1.450 19832 366 1 4 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.945 0.241 19832 367 1 4 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.300 -1.082 19832 368 1 4 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.085 -0.005 19832 369 1 4 . 1 1 5 5 LEU H H 5 7.935 7.935 8.432 -0.497 19832 370 1 4 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.955 0.172 19832 371 1 4 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.893 -0.182 19832 372 1 4 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.764 -0.077 19832 373 1 4 . 1 1 6 6 ARG H H 6 8.008 8.008 7.810 0.198 19832 374 1 4 . 1 1 7 7 PHE N N 7 118.637 118.637 117.468 1.169 19832 375 1 4 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.377 0.101 19832 376 1 4 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.924 0.189 19832 377 1 4 . 1 1 7 7 PHE H H 7 7.948 7.948 7.772 0.176 19832 378 1 4 . 1 1 8 8 VAL N N 8 116.441 116.441 120.776 -4.335 19832 379 1 4 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.677 0.216 19832 380 1 4 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.654 -0.689 19832 381 1 4 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.844 0.021 19832 382 1 4 . 1 1 8 8 VAL H H 8 8.014 8.014 8.103 -0.089 19832 383 1 4 . 1 1 9 9 ALA N N 9 121.442 121.442 120.647 0.795 19832 384 1 4 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.107 0.121 19832 385 1 4 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.818 -0.351 19832 386 1 4 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.247 0.232 19832 387 1 4 . 1 1 9 9 ALA H H 9 8.083 8.083 8.518 -0.435 19832 388 1 4 . 1 1 10 10 GLY N N 10 104.589 104.589 105.334 -0.745 19832 389 1 4 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.859 -1.196 19832 390 1 4 . 1 1 10 10 GLY H H 10 8.134 8.134 8.021 0.113 19832 391 1 4 . 1 1 11 11 TYR N N 11 118.591 118.591 123.646 -5.055 19832 392 1 4 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.184 0.139 19832 393 1 4 . 1 1 11 11 TYR H H 11 8.006 8.006 7.460 0.546 19832 394 1 4 . 1 1 12 12 ASP N N 12 119.339 119.339 117.321 2.018 19832 395 1 4 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.078 0.531 19832 396 1 4 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.725 -2.636 19832 397 1 4 . 1 1 12 12 ASP H H 12 8.414 8.414 7.822 0.592 19832 398 1 4 . 1 1 13 13 ILE N N 13 119.097 119.097 118.780 0.317 19832 399 1 4 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.955 0.039 19832 400 1 4 . 1 1 13 13 ILE CA C 13 63.147 63.147 62.268 0.879 19832 401 1 4 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.387 1.097 19832 402 1 4 . 1 1 13 13 ILE H H 13 8.156 8.156 7.544 0.612 19832 403 1 4 . 1 1 14 14 ALA N N 14 123.581 123.581 123.330 0.251 19832 404 1 4 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.147 0.091 19832 405 1 4 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.145 -1.527 19832 406 1 4 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.988 0.829 19832 407 1 4 . 1 1 14 14 ALA H H 14 8.274 8.274 8.499 -0.225 19832 408 1 4 . 1 1 15 15 SER N N 15 112.583 112.583 113.727 -1.144 19832 409 1 4 . 1 1 15 15 SER HA H 15 4.299 4.299 4.146 0.153 19832 410 1 4 . 1 1 15 15 SER CA C 15 59.441 59.441 60.885 -1.444 19832 411 1 4 . 1 1 15 15 SER CB C 15 63.403 63.403 63.047 0.356 19832 412 1 4 . 1 1 15 15 SER H H 15 8.061 8.061 8.147 -0.086 19832 413 1 4 . 1 1 16 16 HIS N N 16 120.408 120.408 117.527 2.881 19832 414 1 4 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.573 0.123 19832 415 1 4 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.756 -2.273 19832 416 1 4 . 1 1 16 16 HIS H H 16 8.159 8.159 7.786 0.373 19832 417 1 4 . 1 1 17 17 LYS N N 17 120.845 120.845 120.437 0.408 19832 418 1 4 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.183 0.142 19832 419 1 4 . 1 1 17 17 LYS CA C 17 56.682 56.682 57.824 -1.142 19832 420 1 4 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.388 -0.392 19832 421 1 4 . 1 1 17 17 LYS H H 17 8.080 8.080 7.758 0.322 19832 422 1 4 . 1 1 18 18 LYS N N 18 121.661 121.661 118.320 3.341 19832 423 1 4 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.429 -0.096 19832 424 1 4 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.178 0.401 19832 425 1 4 . 1 1 18 18 LYS H H 18 8.231 8.231 8.030 0.201 19832 426 1 4 . 1 1 19 19 LYS N N 19 122.316 122.316 123.902 -1.586 19832 427 1 4 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.464 -0.063 19832 428 1 4 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.077 -0.477 19832 429 1 4 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.237 -0.264 19832 430 1 4 . 1 1 19 19 LYS H H 19 8.392 8.392 8.614 -0.222 19832 431 1 4 . 1 1 20 20 THR N N 20 113.974 113.974 112.868 1.106 19832 432 1 4 . 1 1 20 20 THR HA H 20 4.405 4.405 4.381 0.024 19832 433 1 4 . 1 1 20 20 THR CA C 20 61.680 61.680 62.051 -0.371 19832 434 1 4 . 1 1 20 20 THR CB C 20 69.817 69.817 69.911 -0.094 19832 435 1 4 . 1 1 20 20 THR H H 20 8.085 8.085 7.668 0.417 19832 436 1 4 . 1 1 21 21 GLY N N 21 110.706 110.706 113.294 -2.588 19832 437 1 4 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.269 0.042 19832 438 1 4 . 1 1 21 21 GLY H H 21 8.360 8.360 8.345 0.015 19832 439 1 4 . 1 1 22 22 GLY N N 22 107.728 107.728 108.022 -0.294 19832 440 1 4 . 1 1 22 22 GLY CA C 22 45.175 45.175 45.474 -0.299 19832 441 1 4 . 1 1 22 22 GLY H H 22 8.146 8.146 8.093 0.053 19832 442 1 4 . 1 1 23 23 TYR N N 23 119.224 119.224 119.967 -0.743 19832 443 1 4 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.897 -0.390 19832 444 1 4 . 1 1 23 23 TYR H H 23 7.870 7.870 8.077 -0.207 19832 445 1 4 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.407 -0.026 19832 446 1 4 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.153 -0.706 19832 447 1 4 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.227 -0.711 19832 448 1 4 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.985 -0.599 19832 449 1 4 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.686 0.066 19832 450 1 4 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.541 -1.053 19832 451 1 4 . 1 1 25 25 TRP H H 25 6.924 6.924 8.018 -1.095 19832 452 1 4 . 1 1 26 26 GLU N N 26 119.971 119.971 120.591 -0.620 19832 453 1 4 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.879 0.574 19832 454 1 4 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.447 0.199 19832 455 1 4 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.784 1.021 19832 456 1 4 . 1 1 26 26 GLU H H 26 7.653 7.653 7.565 0.088 19832 457 1 4 . 1 1 27 27 ARG N N 27 120.787 120.787 119.470 1.317 19832 458 1 4 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.107 0.250 19832 459 1 4 . 1 1 27 27 ARG CA C 27 56.406 56.406 57.614 -1.208 19832 460 1 4 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.525 0.238 19832 461 1 4 . 1 1 27 27 ARG H H 27 8.162 8.162 7.598 0.564 19832 462 1 4 . 1 1 28 28 GLY N N 28 109.282 109.282 106.774 2.508 19832 463 1 4 . 1 1 28 28 GLY H H 28 8.483 8.483 7.988 0.495 19832 464 1 4 . 1 1 29 29 LYS N N 29 120.396 120.396 119.867 0.529 19832 465 1 4 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.167 0.236 19832 466 1 4 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.403 -1.528 19832 467 1 4 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.575 0.718 19832 468 1 4 . 1 1 29 29 LYS H H 29 8.112 8.112 8.474 -0.362 19832 469 1 5 . 1 1 2 2 LYS N N 2 124.386 124.386 122.738 1.648 19832 470 1 5 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.654 -0.270 19832 471 1 5 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.394 -0.435 19832 472 1 5 . 1 1 2 2 LYS H H 2 9.052 9.052 8.557 0.495 19832 473 1 5 . 1 1 3 3 THR N N 3 116.039 116.039 120.731 -4.692 19832 474 1 5 . 1 1 3 3 THR HA H 3 4.216 4.216 4.092 0.124 19832 475 1 5 . 1 1 3 3 THR CB C 3 68.928 68.928 68.705 0.223 19832 476 1 5 . 1 1 3 3 THR H H 3 8.478 8.478 9.007 -0.529 19832 477 1 5 . 1 1 4 4 ILE N N 4 121.132 121.132 118.428 2.704 19832 478 1 5 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.968 0.142 19832 479 1 5 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.819 -0.247 19832 480 1 5 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.855 1.099 19832 481 1 5 . 1 1 4 4 ILE H H 4 8.556 8.556 7.842 0.714 19832 482 1 5 . 1 1 5 5 LEU N N 5 119.569 119.569 121.050 -1.481 19832 483 1 5 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.939 0.247 19832 484 1 5 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.307 -1.089 19832 485 1 5 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.075 0.005 19832 486 1 5 . 1 1 5 5 LEU H H 5 7.935 7.935 8.429 -0.494 19832 487 1 5 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.959 0.168 19832 488 1 5 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.027 -0.316 19832 489 1 5 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.832 -0.145 19832 490 1 5 . 1 1 6 6 ARG H H 6 8.008 8.008 7.800 0.208 19832 491 1 5 . 1 1 7 7 PHE N N 7 118.637 118.637 117.413 1.224 19832 492 1 5 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.354 0.124 19832 493 1 5 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.831 0.282 19832 494 1 5 . 1 1 7 7 PHE H H 7 7.948 7.948 7.804 0.144 19832 495 1 5 . 1 1 8 8 VAL N N 8 116.441 116.441 121.065 -4.624 19832 496 1 5 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.751 0.142 19832 497 1 5 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.257 -0.292 19832 498 1 5 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.391 0.474 19832 499 1 5 . 1 1 8 8 VAL H H 8 8.014 8.014 8.096 -0.082 19832 500 1 5 . 1 1 9 9 ALA N N 9 121.442 121.442 120.612 0.830 19832 501 1 5 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.139 0.089 19832 502 1 5 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.895 -0.428 19832 503 1 5 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.407 0.072 19832 504 1 5 . 1 1 9 9 ALA H H 9 8.083 8.083 8.548 -0.465 19832 505 1 5 . 1 1 10 10 GLY N N 10 104.589 104.589 105.392 -0.803 19832 506 1 5 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.814 -1.151 19832 507 1 5 . 1 1 10 10 GLY H H 10 8.134 8.134 7.928 0.206 19832 508 1 5 . 1 1 11 11 TYR N N 11 118.591 118.591 123.284 -4.693 19832 509 1 5 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.093 0.230 19832 510 1 5 . 1 1 11 11 TYR H H 11 8.006 8.006 7.613 0.393 19832 511 1 5 . 1 1 12 12 ASP N N 12 119.339 119.339 118.275 1.064 19832 512 1 5 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.098 0.511 19832 513 1 5 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.862 -2.773 19832 514 1 5 . 1 1 12 12 ASP H H 12 8.414 8.414 7.853 0.561 19832 515 1 5 . 1 1 13 13 ILE N N 13 119.097 119.097 118.773 0.324 19832 516 1 5 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.189 -0.195 19832 517 1 5 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.391 1.756 19832 518 1 5 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.204 1.280 19832 519 1 5 . 1 1 13 13 ILE H H 13 8.156 8.156 7.573 0.583 19832 520 1 5 . 1 1 14 14 ALA N N 14 123.581 123.581 123.363 0.218 19832 521 1 5 . 1 1 14 14 ALA HA H 14 4.238 4.238 3.948 0.290 19832 522 1 5 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.001 -1.383 19832 523 1 5 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.898 0.919 19832 524 1 5 . 1 1 14 14 ALA H H 14 8.274 8.274 8.318 -0.044 19832 525 1 5 . 1 1 15 15 SER N N 15 112.583 112.583 114.060 -1.477 19832 526 1 5 . 1 1 15 15 SER HA H 15 4.299 4.299 4.056 0.243 19832 527 1 5 . 1 1 15 15 SER CA C 15 59.441 59.441 61.435 -1.994 19832 528 1 5 . 1 1 15 15 SER CB C 15 63.403 63.403 62.985 0.418 19832 529 1 5 . 1 1 15 15 SER H H 15 8.061 8.061 7.907 0.154 19832 530 1 5 . 1 1 16 16 HIS N N 16 120.408 120.408 115.268 5.140 19832 531 1 5 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.687 0.009 19832 532 1 5 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.671 -1.188 19832 533 1 5 . 1 1 16 16 HIS H H 16 8.159 8.159 7.604 0.555 19832 534 1 5 . 1 1 17 17 LYS N N 17 120.845 120.845 120.516 0.329 19832 535 1 5 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.031 0.294 19832 536 1 5 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.489 -1.806 19832 537 1 5 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.809 0.187 19832 538 1 5 . 1 1 17 17 LYS H H 17 8.080 8.080 7.067 1.013 19832 539 1 5 . 1 1 18 18 LYS N N 18 121.661 121.661 118.127 3.534 19832 540 1 5 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.444 -0.111 19832 541 1 5 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.699 0.880 19832 542 1 5 . 1 1 18 18 LYS H H 18 8.231 8.231 8.093 0.138 19832 543 1 5 . 1 1 19 19 LYS N N 19 122.316 122.316 123.837 -1.521 19832 544 1 5 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.339 0.062 19832 545 1 5 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.446 0.154 19832 546 1 5 . 1 1 19 19 LYS CB C 19 32.973 32.973 34.227 -1.254 19832 547 1 5 . 1 1 19 19 LYS H H 19 8.392 8.392 8.529 -0.137 19832 548 1 5 . 1 1 20 20 THR N N 20 113.974 113.974 114.796 -0.822 19832 549 1 5 . 1 1 20 20 THR HA H 20 4.405 4.405 4.118 0.287 19832 550 1 5 . 1 1 20 20 THR CA C 20 61.680 61.680 62.804 -1.124 19832 551 1 5 . 1 1 20 20 THR CB C 20 69.817 69.817 68.045 1.772 19832 552 1 5 . 1 1 20 20 THR H H 20 8.085 8.085 8.179 -0.094 19832 553 1 5 . 1 1 21 21 GLY N N 21 110.706 110.706 108.462 2.244 19832 554 1 5 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.940 -0.630 19832 555 1 5 . 1 1 21 21 GLY H H 21 8.360 8.360 8.839 -0.479 19832 556 1 5 . 1 1 22 22 GLY N N 22 107.728 107.728 107.347 0.381 19832 557 1 5 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.632 0.543 19832 558 1 5 . 1 1 22 22 GLY H H 22 8.146 8.146 7.744 0.402 19832 559 1 5 . 1 1 23 23 TYR N N 23 119.224 119.224 119.197 0.027 19832 560 1 5 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.980 -0.473 19832 561 1 5 . 1 1 23 23 TYR H H 23 7.870 7.870 7.992 -0.122 19832 562 1 5 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.428 -0.047 19832 563 1 5 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.131 -0.684 19832 564 1 5 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.245 -0.729 19832 565 1 5 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.949 -0.563 19832 566 1 5 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.291 0.461 19832 567 1 5 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.902 -1.414 19832 568 1 5 . 1 1 25 25 TRP H H 25 6.924 6.924 7.991 -1.067 19832 569 1 5 . 1 1 26 26 GLU N N 26 119.971 119.971 122.550 -2.579 19832 570 1 5 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.031 0.422 19832 571 1 5 . 1 1 26 26 GLU CA C 26 55.645 55.645 54.981 0.664 19832 572 1 5 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.931 0.874 19832 573 1 5 . 1 1 26 26 GLU H H 26 7.653 7.653 7.584 0.069 19832 574 1 5 . 1 1 27 27 ARG N N 27 120.787 120.787 123.329 -2.542 19832 575 1 5 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.139 0.218 19832 576 1 5 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.870 -0.464 19832 577 1 5 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.606 0.157 19832 578 1 5 . 1 1 27 27 ARG H H 27 8.162 8.162 7.848 0.314 19832 579 1 5 . 1 1 28 28 GLY N N 28 109.282 109.282 106.487 2.795 19832 580 1 5 . 1 1 28 28 GLY H H 28 8.483 8.483 7.479 1.004 19832 581 1 5 . 1 1 29 29 LYS N N 29 120.396 120.396 119.227 1.169 19832 582 1 5 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.335 0.068 19832 583 1 5 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.958 -1.083 19832 584 1 5 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.172 0.121 19832 585 1 5 . 1 1 29 29 LYS H H 29 8.112 8.112 8.310 -0.198 19832 586 1 6 . 1 1 2 2 LYS N N 2 124.386 124.386 125.759 -1.373 19832 587 1 6 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.272 0.112 19832 588 1 6 . 1 1 2 2 LYS CB C 2 32.959 32.959 32.550 0.409 19832 589 1 6 . 1 1 2 2 LYS H H 2 9.052 9.052 8.676 0.376 19832 590 1 6 . 1 1 3 3 THR N N 3 116.039 116.039 119.588 -3.549 19832 591 1 6 . 1 1 3 3 THR HA H 3 4.216 4.216 4.064 0.152 19832 592 1 6 . 1 1 3 3 THR CB C 3 68.928 68.928 68.820 0.108 19832 593 1 6 . 1 1 3 3 THR H H 3 8.478 8.478 8.665 -0.187 19832 594 1 6 . 1 1 4 4 ILE N N 4 121.132 121.132 118.688 2.444 19832 595 1 6 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.972 0.138 19832 596 1 6 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.883 -0.311 19832 597 1 6 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.875 1.079 19832 598 1 6 . 1 1 4 4 ILE H H 4 8.556 8.556 7.907 0.649 19832 599 1 6 . 1 1 5 5 LEU N N 5 119.569 119.569 121.052 -1.483 19832 600 1 6 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.951 0.235 19832 601 1 6 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.316 -1.098 19832 602 1 6 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.080 -0.000 19832 603 1 6 . 1 1 5 5 LEU H H 5 7.935 7.935 8.431 -0.496 19832 604 1 6 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.964 0.163 19832 605 1 6 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.978 -0.267 19832 606 1 6 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.826 -0.139 19832 607 1 6 . 1 1 6 6 ARG H H 6 8.008 8.008 7.806 0.202 19832 608 1 6 . 1 1 7 7 PHE N N 7 118.637 118.637 117.463 1.174 19832 609 1 6 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.380 0.098 19832 610 1 6 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.847 0.266 19832 611 1 6 . 1 1 7 7 PHE H H 7 7.948 7.948 7.808 0.140 19832 612 1 6 . 1 1 8 8 VAL N N 8 116.441 116.441 121.086 -4.645 19832 613 1 6 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.777 0.116 19832 614 1 6 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.278 -0.312 19832 615 1 6 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.399 0.466 19832 616 1 6 . 1 1 8 8 VAL H H 8 8.014 8.014 8.114 -0.100 19832 617 1 6 . 1 1 9 9 ALA N N 9 121.442 121.442 120.656 0.786 19832 618 1 6 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.143 0.085 19832 619 1 6 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.897 -0.430 19832 620 1 6 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.412 0.067 19832 621 1 6 . 1 1 9 9 ALA H H 9 8.083 8.083 8.559 -0.476 19832 622 1 6 . 1 1 10 10 GLY N N 10 104.589 104.589 105.414 -0.825 19832 623 1 6 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.834 -1.171 19832 624 1 6 . 1 1 10 10 GLY H H 10 8.134 8.134 7.924 0.210 19832 625 1 6 . 1 1 11 11 TYR N N 11 118.591 118.591 123.689 -5.098 19832 626 1 6 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.129 0.194 19832 627 1 6 . 1 1 11 11 TYR H H 11 8.006 8.006 7.637 0.369 19832 628 1 6 . 1 1 12 12 ASP N N 12 119.339 119.339 118.028 1.311 19832 629 1 6 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.083 0.526 19832 630 1 6 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.683 -2.594 19832 631 1 6 . 1 1 12 12 ASP H H 12 8.414 8.414 7.913 0.501 19832 632 1 6 . 1 1 13 13 ILE N N 13 119.097 119.097 118.177 0.920 19832 633 1 6 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.072 -0.078 19832 634 1 6 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.385 1.762 19832 635 1 6 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.597 0.887 19832 636 1 6 . 1 1 13 13 ILE H H 13 8.156 8.156 7.560 0.596 19832 637 1 6 . 1 1 14 14 ALA N N 14 123.581 123.581 123.067 0.514 19832 638 1 6 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.085 0.153 19832 639 1 6 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.918 -1.300 19832 640 1 6 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.036 0.781 19832 641 1 6 . 1 1 14 14 ALA H H 14 8.274 8.274 8.314 -0.040 19832 642 1 6 . 1 1 15 15 SER N N 15 112.583 112.583 112.662 -0.079 19832 643 1 6 . 1 1 15 15 SER HA H 15 4.299 4.299 4.005 0.294 19832 644 1 6 . 1 1 15 15 SER CA C 15 59.441 59.441 60.865 -1.424 19832 645 1 6 . 1 1 15 15 SER CB C 15 63.403 63.403 62.803 0.600 19832 646 1 6 . 1 1 15 15 SER H H 15 8.061 8.061 7.878 0.183 19832 647 1 6 . 1 1 16 16 HIS N N 16 120.408 120.408 117.294 3.114 19832 648 1 6 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.576 0.120 19832 649 1 6 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.159 -1.676 19832 650 1 6 . 1 1 16 16 HIS H H 16 8.159 8.159 7.565 0.594 19832 651 1 6 . 1 1 17 17 LYS N N 17 120.845 120.845 120.647 0.198 19832 652 1 6 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.139 0.186 19832 653 1 6 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.551 -1.869 19832 654 1 6 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.295 -0.299 19832 655 1 6 . 1 1 17 17 LYS H H 17 8.080 8.080 7.559 0.521 19832 656 1 6 . 1 1 18 18 LYS N N 18 121.661 121.661 115.568 6.093 19832 657 1 6 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.390 -0.057 19832 658 1 6 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.155 0.424 19832 659 1 6 . 1 1 18 18 LYS H H 18 8.231 8.231 7.695 0.536 19832 660 1 6 . 1 1 19 19 LYS N N 19 122.316 122.316 123.032 -0.716 19832 661 1 6 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.223 0.178 19832 662 1 6 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.950 -1.350 19832 663 1 6 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.763 0.210 19832 664 1 6 . 1 1 19 19 LYS H H 19 8.392 8.392 8.605 -0.213 19832 665 1 6 . 1 1 20 20 THR N N 20 113.974 113.974 110.946 3.028 19832 666 1 6 . 1 1 20 20 THR HA H 20 4.405 4.405 4.517 -0.112 19832 667 1 6 . 1 1 20 20 THR CA C 20 61.680 61.680 61.498 0.182 19832 668 1 6 . 1 1 20 20 THR CB C 20 69.817 69.817 69.034 0.783 19832 669 1 6 . 1 1 20 20 THR H H 20 8.085 8.085 7.504 0.581 19832 670 1 6 . 1 1 21 21 GLY N N 21 110.706 110.706 110.432 0.274 19832 671 1 6 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.215 0.095 19832 672 1 6 . 1 1 21 21 GLY H H 21 8.360 8.360 7.875 0.485 19832 673 1 6 . 1 1 22 22 GLY N N 22 107.728 107.728 108.415 -0.687 19832 674 1 6 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.529 0.646 19832 675 1 6 . 1 1 22 22 GLY H H 22 8.146 8.146 7.684 0.462 19832 676 1 6 . 1 1 23 23 TYR N N 23 119.224 119.224 122.287 -3.063 19832 677 1 6 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.896 -0.390 19832 678 1 6 . 1 1 23 23 TYR H H 23 7.870 7.870 7.683 0.187 19832 679 1 6 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.365 0.016 19832 680 1 6 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.152 -0.705 19832 681 1 6 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.054 -0.538 19832 682 1 6 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.756 -0.370 19832 683 1 6 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.253 0.499 19832 684 1 6 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.910 -1.422 19832 685 1 6 . 1 1 25 25 TRP H H 25 6.924 6.924 7.777 -0.853 19832 686 1 6 . 1 1 26 26 GLU N N 26 119.971 119.971 122.199 -2.228 19832 687 1 6 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.938 0.515 19832 688 1 6 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.540 0.105 19832 689 1 6 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.049 0.756 19832 690 1 6 . 1 1 26 26 GLU H H 26 7.653 7.653 7.444 0.209 19832 691 1 6 . 1 1 27 27 ARG N N 27 120.787 120.787 124.911 -4.124 19832 692 1 6 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.452 -0.095 19832 693 1 6 . 1 1 27 27 ARG CA C 27 56.406 56.406 55.779 0.626 19832 694 1 6 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.140 -0.377 19832 695 1 6 . 1 1 27 27 ARG H H 27 8.162 8.162 7.797 0.365 19832 696 1 6 . 1 1 28 28 GLY N N 28 109.282 109.282 113.826 -4.544 19832 697 1 6 . 1 1 28 28 GLY H H 28 8.483 8.483 8.255 0.228 19832 698 1 6 . 1 1 29 29 LYS N N 29 120.396 120.396 119.066 1.330 19832 699 1 6 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.194 0.209 19832 700 1 6 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.415 -0.540 19832 701 1 6 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.847 0.445 19832 702 1 6 . 1 1 29 29 LYS H H 29 8.112 8.112 8.173 -0.061 19832 703 1 7 . 1 1 2 2 LYS N N 2 124.386 124.386 125.665 -1.279 19832 704 1 7 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.302 0.082 19832 705 1 7 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.157 -0.198 19832 706 1 7 . 1 1 2 2 LYS H H 2 9.052 9.052 8.618 0.434 19832 707 1 7 . 1 1 3 3 THR N N 3 116.039 116.039 120.124 -4.085 19832 708 1 7 . 1 1 3 3 THR HA H 3 4.216 4.216 4.054 0.162 19832 709 1 7 . 1 1 3 3 THR CB C 3 68.928 68.928 68.529 0.399 19832 710 1 7 . 1 1 3 3 THR H H 3 8.478 8.478 8.787 -0.309 19832 711 1 7 . 1 1 4 4 ILE N N 4 121.132 121.132 117.892 3.240 19832 712 1 7 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.955 0.155 19832 713 1 7 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.860 -0.288 19832 714 1 7 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.991 0.963 19832 715 1 7 . 1 1 4 4 ILE H H 4 8.556 8.556 7.824 0.732 19832 716 1 7 . 1 1 5 5 LEU N N 5 119.569 119.569 121.076 -1.507 19832 717 1 7 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.960 0.226 19832 718 1 7 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.297 -1.079 19832 719 1 7 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.086 -0.006 19832 720 1 7 . 1 1 5 5 LEU H H 5 7.935 7.935 8.431 -0.496 19832 721 1 7 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.967 0.160 19832 722 1 7 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.977 -0.266 19832 723 1 7 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.783 -0.096 19832 724 1 7 . 1 1 6 6 ARG H H 6 8.008 8.008 7.818 0.190 19832 725 1 7 . 1 1 7 7 PHE N N 7 118.637 118.637 117.544 1.093 19832 726 1 7 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.385 0.093 19832 727 1 7 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.821 0.292 19832 728 1 7 . 1 1 7 7 PHE H H 7 7.948 7.948 7.800 0.148 19832 729 1 7 . 1 1 8 8 VAL N N 8 116.441 116.441 121.074 -4.633 19832 730 1 7 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.760 0.133 19832 731 1 7 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.269 -0.304 19832 732 1 7 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.401 0.465 19832 733 1 7 . 1 1 8 8 VAL H H 8 8.014 8.014 8.103 -0.089 19832 734 1 7 . 1 1 9 9 ALA N N 9 121.442 121.442 120.614 0.828 19832 735 1 7 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.147 0.081 19832 736 1 7 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.894 -0.427 19832 737 1 7 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.416 0.063 19832 738 1 7 . 1 1 9 9 ALA H H 9 8.083 8.083 8.552 -0.469 19832 739 1 7 . 1 1 10 10 GLY N N 10 104.589 104.589 105.317 -0.728 19832 740 1 7 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.764 -1.101 19832 741 1 7 . 1 1 10 10 GLY H H 10 8.134 8.134 7.930 0.204 19832 742 1 7 . 1 1 11 11 TYR N N 11 118.591 118.591 123.290 -4.699 19832 743 1 7 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.094 0.229 19832 744 1 7 . 1 1 11 11 TYR H H 11 8.006 8.006 7.618 0.388 19832 745 1 7 . 1 1 12 12 ASP N N 12 119.339 119.339 118.246 1.093 19832 746 1 7 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.107 0.502 19832 747 1 7 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.863 -2.774 19832 748 1 7 . 1 1 12 12 ASP H H 12 8.414 8.414 7.859 0.555 19832 749 1 7 . 1 1 13 13 ILE N N 13 119.097 119.097 118.786 0.311 19832 750 1 7 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.170 -0.176 19832 751 1 7 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.465 1.682 19832 752 1 7 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.194 1.290 19832 753 1 7 . 1 1 13 13 ILE H H 13 8.156 8.156 7.540 0.616 19832 754 1 7 . 1 1 14 14 ALA N N 14 123.581 123.581 122.911 0.670 19832 755 1 7 . 1 1 14 14 ALA HA H 14 4.238 4.238 3.897 0.341 19832 756 1 7 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.877 -1.259 19832 757 1 7 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.833 0.984 19832 758 1 7 . 1 1 14 14 ALA H H 14 8.274 8.274 8.169 0.105 19832 759 1 7 . 1 1 15 15 SER N N 15 112.583 112.583 114.448 -1.865 19832 760 1 7 . 1 1 15 15 SER HA H 15 4.299 4.299 3.914 0.385 19832 761 1 7 . 1 1 15 15 SER CA C 15 59.441 59.441 61.839 -2.398 19832 762 1 7 . 1 1 15 15 SER CB C 15 63.403 63.403 63.030 0.373 19832 763 1 7 . 1 1 15 15 SER H H 15 8.061 8.061 7.855 0.206 19832 764 1 7 . 1 1 16 16 HIS N N 16 120.408 120.408 116.666 3.742 19832 765 1 7 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.557 0.139 19832 766 1 7 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.373 -0.890 19832 767 1 7 . 1 1 16 16 HIS H H 16 8.159 8.159 7.754 0.405 19832 768 1 7 . 1 1 17 17 LYS N N 17 120.845 120.845 120.782 0.063 19832 769 1 7 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.018 0.307 19832 770 1 7 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.537 -1.855 19832 771 1 7 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.880 0.116 19832 772 1 7 . 1 1 17 17 LYS H H 17 8.080 8.080 7.135 0.945 19832 773 1 7 . 1 1 18 18 LYS N N 18 121.661 121.661 117.384 4.277 19832 774 1 7 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.403 -0.070 19832 775 1 7 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.807 0.771 19832 776 1 7 . 1 1 18 18 LYS H H 18 8.231 8.231 7.970 0.261 19832 777 1 7 . 1 1 19 19 LYS N N 19 122.316 122.316 124.532 -2.216 19832 778 1 7 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.134 0.267 19832 779 1 7 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.346 -0.746 19832 780 1 7 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.973 0.000 19832 781 1 7 . 1 1 19 19 LYS H H 19 8.392 8.392 8.531 -0.139 19832 782 1 7 . 1 1 20 20 THR N N 20 113.974 113.974 114.472 -0.498 19832 783 1 7 . 1 1 20 20 THR HA H 20 4.405 4.405 4.370 0.035 19832 784 1 7 . 1 1 20 20 THR CA C 20 61.680 61.680 61.712 -0.032 19832 785 1 7 . 1 1 20 20 THR CB C 20 69.817 69.817 69.338 0.479 19832 786 1 7 . 1 1 20 20 THR H H 20 8.085 8.085 7.574 0.511 19832 787 1 7 . 1 1 21 21 GLY N N 21 110.706 110.706 114.384 -3.678 19832 788 1 7 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.120 0.191 19832 789 1 7 . 1 1 21 21 GLY H H 21 8.360 8.360 8.309 0.051 19832 790 1 7 . 1 1 22 22 GLY N N 22 107.728 107.728 108.202 -0.474 19832 791 1 7 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.753 0.422 19832 792 1 7 . 1 1 22 22 GLY H H 22 8.146 8.146 7.417 0.729 19832 793 1 7 . 1 1 23 23 TYR N N 23 119.224 119.224 119.954 -0.730 19832 794 1 7 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.962 -0.455 19832 795 1 7 . 1 1 23 23 TYR H H 23 7.870 7.870 7.874 -0.004 19832 796 1 7 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.153 0.228 19832 797 1 7 . 1 1 24 24 PRO CA C 24 64.447 64.447 64.815 -0.368 19832 798 1 7 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.178 -0.662 19832 799 1 7 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.887 -0.501 19832 800 1 7 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.237 0.515 19832 801 1 7 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.902 -1.414 19832 802 1 7 . 1 1 25 25 TRP H H 25 6.924 6.924 7.933 -1.009 19832 803 1 7 . 1 1 26 26 GLU N N 26 119.971 119.971 122.119 -2.148 19832 804 1 7 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.965 0.488 19832 805 1 7 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.411 0.234 19832 806 1 7 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.005 0.801 19832 807 1 7 . 1 1 26 26 GLU H H 26 7.653 7.653 7.554 0.099 19832 808 1 7 . 1 1 27 27 ARG N N 27 120.787 120.787 125.013 -4.226 19832 809 1 7 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.340 0.017 19832 810 1 7 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.940 -0.534 19832 811 1 7 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.286 -0.523 19832 812 1 7 . 1 1 27 27 ARG H H 27 8.162 8.162 8.170 -0.008 19832 813 1 7 . 1 1 28 28 GLY N N 28 109.282 109.282 108.139 1.143 19832 814 1 7 . 1 1 28 28 GLY H H 28 8.483 8.483 8.140 0.343 19832 815 1 7 . 1 1 29 29 LYS N N 29 120.396 120.396 121.007 -0.611 19832 816 1 7 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.125 0.278 19832 817 1 7 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.878 -1.003 19832 818 1 7 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.219 1.074 19832 819 1 7 . 1 1 29 29 LYS H H 29 8.112 8.112 8.295 -0.183 19832 820 1 8 . 1 1 2 2 LYS N N 2 124.386 124.386 122.782 1.604 19832 821 1 8 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.672 -0.288 19832 822 1 8 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.296 -0.337 19832 823 1 8 . 1 1 2 2 LYS H H 2 9.052 9.052 8.369 0.683 19832 824 1 8 . 1 1 3 3 THR N N 3 116.039 116.039 119.660 -3.621 19832 825 1 8 . 1 1 3 3 THR HA H 3 4.216 4.216 4.050 0.166 19832 826 1 8 . 1 1 3 3 THR CB C 3 68.928 68.928 68.835 0.093 19832 827 1 8 . 1 1 3 3 THR H H 3 8.478 8.478 8.933 -0.455 19832 828 1 8 . 1 1 4 4 ILE N N 4 121.132 121.132 118.585 2.547 19832 829 1 8 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.947 0.163 19832 830 1 8 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.873 -0.301 19832 831 1 8 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.911 1.043 19832 832 1 8 . 1 1 4 4 ILE H H 4 8.556 8.556 7.902 0.654 19832 833 1 8 . 1 1 5 5 LEU N N 5 119.569 119.569 121.100 -1.531 19832 834 1 8 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.949 0.237 19832 835 1 8 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.287 -1.069 19832 836 1 8 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.071 0.009 19832 837 1 8 . 1 1 5 5 LEU H H 5 7.935 7.935 8.415 -0.480 19832 838 1 8 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.965 0.162 19832 839 1 8 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.062 -0.351 19832 840 1 8 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.837 -0.150 19832 841 1 8 . 1 1 6 6 ARG H H 6 8.008 8.008 7.801 0.207 19832 842 1 8 . 1 1 7 7 PHE N N 7 118.637 118.637 117.307 1.330 19832 843 1 8 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.395 0.083 19832 844 1 8 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.783 0.330 19832 845 1 8 . 1 1 7 7 PHE H H 7 7.948 7.948 7.782 0.166 19832 846 1 8 . 1 1 8 8 VAL N N 8 116.441 116.441 121.018 -4.577 19832 847 1 8 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.732 0.161 19832 848 1 8 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.300 -0.335 19832 849 1 8 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.768 0.097 19832 850 1 8 . 1 1 8 8 VAL H H 8 8.014 8.014 8.068 -0.054 19832 851 1 8 . 1 1 9 9 ALA N N 9 121.442 121.442 120.674 0.768 19832 852 1 8 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.119 0.109 19832 853 1 8 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.937 -0.470 19832 854 1 8 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.174 0.305 19832 855 1 8 . 1 1 9 9 ALA H H 9 8.083 8.083 8.490 -0.407 19832 856 1 8 . 1 1 10 10 GLY N N 10 104.589 104.589 105.057 -0.468 19832 857 1 8 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.939 -1.276 19832 858 1 8 . 1 1 10 10 GLY H H 10 8.134 8.134 8.064 0.070 19832 859 1 8 . 1 1 11 11 TYR N N 11 118.591 118.591 123.627 -5.036 19832 860 1 8 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.182 0.141 19832 861 1 8 . 1 1 11 11 TYR H H 11 8.006 8.006 7.536 0.470 19832 862 1 8 . 1 1 12 12 ASP N N 12 119.339 119.339 117.610 1.729 19832 863 1 8 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.053 0.556 19832 864 1 8 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.624 -2.535 19832 865 1 8 . 1 1 12 12 ASP H H 12 8.414 8.414 7.800 0.615 19832 866 1 8 . 1 1 13 13 ILE N N 13 119.097 119.097 117.722 1.375 19832 867 1 8 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.858 0.136 19832 868 1 8 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.736 1.411 19832 869 1 8 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.357 1.127 19832 870 1 8 . 1 1 13 13 ILE H H 13 8.156 8.156 7.094 1.062 19832 871 1 8 . 1 1 14 14 ALA N N 14 123.581 123.581 123.270 0.311 19832 872 1 8 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.135 0.103 19832 873 1 8 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.917 -1.299 19832 874 1 8 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.180 0.636 19832 875 1 8 . 1 1 14 14 ALA H H 14 8.274 8.274 8.178 0.096 19832 876 1 8 . 1 1 15 15 SER N N 15 112.583 112.583 112.839 -0.256 19832 877 1 8 . 1 1 15 15 SER HA H 15 4.299 4.299 4.017 0.282 19832 878 1 8 . 1 1 15 15 SER CA C 15 59.441 59.441 61.676 -2.236 19832 879 1 8 . 1 1 15 15 SER CB C 15 63.403 63.403 63.101 0.302 19832 880 1 8 . 1 1 15 15 SER H H 15 8.061 8.061 7.989 0.072 19832 881 1 8 . 1 1 16 16 HIS N N 16 120.408 120.408 118.042 2.366 19832 882 1 8 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.552 0.144 19832 883 1 8 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.629 -2.146 19832 884 1 8 . 1 1 16 16 HIS H H 16 8.159 8.159 7.454 0.705 19832 885 1 8 . 1 1 17 17 LYS N N 17 120.845 120.845 120.820 0.025 19832 886 1 8 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.113 0.212 19832 887 1 8 . 1 1 17 17 LYS CA C 17 56.682 56.682 57.874 -1.192 19832 888 1 8 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.026 -0.030 19832 889 1 8 . 1 1 17 17 LYS H H 17 8.080 8.080 7.943 0.137 19832 890 1 8 . 1 1 18 18 LYS N N 18 121.661 121.661 118.536 3.125 19832 891 1 8 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.154 0.179 19832 892 1 8 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.443 0.136 19832 893 1 8 . 1 1 18 18 LYS H H 18 8.231 8.231 7.744 0.487 19832 894 1 8 . 1 1 19 19 LYS N N 19 122.316 122.316 121.162 1.154 19832 895 1 8 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.180 0.221 19832 896 1 8 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.705 -1.105 19832 897 1 8 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.498 0.475 19832 898 1 8 . 1 1 19 19 LYS H H 19 8.392 8.392 8.627 -0.235 19832 899 1 8 . 1 1 20 20 THR N N 20 113.974 113.974 110.496 3.478 19832 900 1 8 . 1 1 20 20 THR HA H 20 4.405 4.405 4.309 0.096 19832 901 1 8 . 1 1 20 20 THR CA C 20 61.680 61.680 60.734 0.946 19832 902 1 8 . 1 1 20 20 THR CB C 20 69.817 69.817 68.863 0.954 19832 903 1 8 . 1 1 20 20 THR H H 20 8.085 8.085 7.383 0.702 19832 904 1 8 . 1 1 21 21 GLY N N 21 110.706 110.706 109.980 0.726 19832 905 1 8 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.572 -0.262 19832 906 1 8 . 1 1 21 21 GLY H H 21 8.360 8.360 8.515 -0.155 19832 907 1 8 . 1 1 22 22 GLY N N 22 107.728 107.728 107.054 0.674 19832 908 1 8 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.708 0.467 19832 909 1 8 . 1 1 22 22 GLY H H 22 8.146 8.146 7.437 0.709 19832 910 1 8 . 1 1 23 23 TYR N N 23 119.224 119.224 125.584 -6.360 19832 911 1 8 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.605 -0.098 19832 912 1 8 . 1 1 23 23 TYR H H 23 7.870 7.870 7.775 0.095 19832 913 1 8 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.427 -0.046 19832 914 1 8 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.026 -0.579 19832 915 1 8 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.187 -0.671 19832 916 1 8 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.953 -0.567 19832 917 1 8 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.300 0.452 19832 918 1 8 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.905 -1.417 19832 919 1 8 . 1 1 25 25 TRP H H 25 6.924 6.924 7.995 -1.071 19832 920 1 8 . 1 1 26 26 GLU N N 26 119.971 119.971 121.994 -2.023 19832 921 1 8 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.055 0.398 19832 922 1 8 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.317 0.328 19832 923 1 8 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.086 0.719 19832 924 1 8 . 1 1 26 26 GLU H H 26 7.653 7.653 7.697 -0.044 19832 925 1 8 . 1 1 27 27 ARG N N 27 120.787 120.787 123.192 -2.405 19832 926 1 8 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.412 -0.055 19832 927 1 8 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.513 -0.107 19832 928 1 8 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.453 0.310 19832 929 1 8 . 1 1 27 27 ARG H H 27 8.162 8.162 7.557 0.605 19832 930 1 8 . 1 1 28 28 GLY N N 28 109.282 109.282 108.616 0.666 19832 931 1 8 . 1 1 28 28 GLY H H 28 8.483 8.483 8.160 0.323 19832 932 1 8 . 1 1 29 29 LYS N N 29 120.396 120.396 123.483 -3.087 19832 933 1 8 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.012 0.391 19832 934 1 8 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.587 -1.712 19832 935 1 8 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.615 0.678 19832 936 1 8 . 1 1 29 29 LYS H H 29 8.112 8.112 8.175 -0.063 19832 937 1 9 . 1 1 2 2 LYS N N 2 124.386 124.386 122.785 1.601 19832 938 1 9 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.645 -0.261 19832 939 1 9 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.883 -0.924 19832 940 1 9 . 1 1 2 2 LYS H H 2 9.052 9.052 8.157 0.895 19832 941 1 9 . 1 1 3 3 THR N N 3 116.039 116.039 119.920 -3.881 19832 942 1 9 . 1 1 3 3 THR HA H 3 4.216 4.216 4.110 0.106 19832 943 1 9 . 1 1 3 3 THR CB C 3 68.928 68.928 68.836 0.092 19832 944 1 9 . 1 1 3 3 THR H H 3 8.478 8.478 8.931 -0.453 19832 945 1 9 . 1 1 4 4 ILE N N 4 121.132 121.132 118.694 2.438 19832 946 1 9 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.964 0.146 19832 947 1 9 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.803 -0.231 19832 948 1 9 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.843 1.111 19832 949 1 9 . 1 1 4 4 ILE H H 4 8.556 8.556 7.863 0.693 19832 950 1 9 . 1 1 5 5 LEU N N 5 119.569 119.569 121.050 -1.481 19832 951 1 9 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.933 0.253 19832 952 1 9 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.299 -1.081 19832 953 1 9 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.065 0.015 19832 954 1 9 . 1 1 5 5 LEU H H 5 7.935 7.935 8.415 -0.480 19832 955 1 9 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.949 0.178 19832 956 1 9 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.010 -0.299 19832 957 1 9 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.845 -0.158 19832 958 1 9 . 1 1 6 6 ARG H H 6 8.008 8.008 7.787 0.221 19832 959 1 9 . 1 1 7 7 PHE N N 7 118.637 118.637 117.165 1.472 19832 960 1 9 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.367 0.111 19832 961 1 9 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.816 0.297 19832 962 1 9 . 1 1 7 7 PHE H H 7 7.948 7.948 7.778 0.170 19832 963 1 9 . 1 1 8 8 VAL N N 8 116.441 116.441 121.010 -4.569 19832 964 1 9 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.728 0.165 19832 965 1 9 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.305 -0.340 19832 966 1 9 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.761 0.104 19832 967 1 9 . 1 1 8 8 VAL H H 8 8.014 8.014 8.064 -0.050 19832 968 1 9 . 1 1 9 9 ALA N N 9 121.442 121.442 120.657 0.785 19832 969 1 9 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.106 0.122 19832 970 1 9 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.921 -0.454 19832 971 1 9 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.173 0.306 19832 972 1 9 . 1 1 9 9 ALA H H 9 8.083 8.083 8.476 -0.393 19832 973 1 9 . 1 1 10 10 GLY N N 10 104.589 104.589 105.363 -0.774 19832 974 1 9 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.820 -1.157 19832 975 1 9 . 1 1 10 10 GLY H H 10 8.134 8.134 7.918 0.216 19832 976 1 9 . 1 1 11 11 TYR N N 11 118.591 118.591 123.331 -4.740 19832 977 1 9 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.107 0.216 19832 978 1 9 . 1 1 11 11 TYR H H 11 8.006 8.006 7.624 0.382 19832 979 1 9 . 1 1 12 12 ASP N N 12 119.339 119.339 118.046 1.293 19832 980 1 9 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.016 0.593 19832 981 1 9 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.715 -2.626 19832 982 1 9 . 1 1 12 12 ASP H H 12 8.414 8.414 7.840 0.574 19832 983 1 9 . 1 1 13 13 ILE N N 13 119.097 119.097 118.585 0.512 19832 984 1 9 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.897 0.097 19832 985 1 9 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.183 1.964 19832 986 1 9 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.170 1.314 19832 987 1 9 . 1 1 13 13 ILE H H 13 8.156 8.156 7.469 0.687 19832 988 1 9 . 1 1 14 14 ALA N N 14 123.581 123.581 123.825 -0.244 19832 989 1 9 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.087 0.151 19832 990 1 9 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.291 -1.673 19832 991 1 9 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.074 0.743 19832 992 1 9 . 1 1 14 14 ALA H H 14 8.274 8.274 8.436 -0.162 19832 993 1 9 . 1 1 15 15 SER N N 15 112.583 112.583 113.989 -1.406 19832 994 1 9 . 1 1 15 15 SER HA H 15 4.299 4.299 4.015 0.284 19832 995 1 9 . 1 1 15 15 SER CA C 15 59.441 59.441 62.461 -3.019 19832 996 1 9 . 1 1 15 15 SER CB C 15 63.403 63.403 62.925 0.478 19832 997 1 9 . 1 1 15 15 SER H H 15 8.061 8.061 8.016 0.045 19832 998 1 9 . 1 1 16 16 HIS N N 16 120.408 120.408 117.837 2.571 19832 999 1 9 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.514 0.182 19832 1000 1 9 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.168 -1.685 19832 1001 1 9 . 1 1 16 16 HIS H H 16 8.159 8.159 7.499 0.660 19832 1002 1 9 . 1 1 17 17 LYS N N 17 120.845 120.845 120.330 0.515 19832 1003 1 9 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.100 0.225 19832 1004 1 9 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.666 -1.984 19832 1005 1 9 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.153 -0.157 19832 1006 1 9 . 1 1 17 17 LYS H H 17 8.080 8.080 7.739 0.341 19832 1007 1 9 . 1 1 18 18 LYS N N 18 121.661 121.661 119.943 1.718 19832 1008 1 9 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.411 -0.078 19832 1009 1 9 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.756 0.823 19832 1010 1 9 . 1 1 18 18 LYS H H 18 8.231 8.231 7.962 0.269 19832 1011 1 9 . 1 1 19 19 LYS N N 19 122.316 122.316 123.220 -0.904 19832 1012 1 9 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.244 0.157 19832 1013 1 9 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.956 -0.356 19832 1014 1 9 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.252 -0.279 19832 1015 1 9 . 1 1 19 19 LYS H H 19 8.392 8.392 8.656 -0.264 19832 1016 1 9 . 1 1 20 20 THR N N 20 113.974 113.974 114.076 -0.102 19832 1017 1 9 . 1 1 20 20 THR HA H 20 4.405 4.405 4.451 -0.046 19832 1018 1 9 . 1 1 20 20 THR CA C 20 61.680 61.680 62.213 -0.533 19832 1019 1 9 . 1 1 20 20 THR CB C 20 69.817 69.817 69.807 0.010 19832 1020 1 9 . 1 1 20 20 THR H H 20 8.085 8.085 7.532 0.553 19832 1021 1 9 . 1 1 21 21 GLY N N 21 110.706 110.706 113.513 -2.807 19832 1022 1 9 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.475 -0.165 19832 1023 1 9 . 1 1 21 21 GLY H H 21 8.360 8.360 8.342 0.018 19832 1024 1 9 . 1 1 22 22 GLY N N 22 107.728 107.728 111.178 -3.450 19832 1025 1 9 . 1 1 22 22 GLY CA C 22 45.175 45.175 45.345 -0.170 19832 1026 1 9 . 1 1 22 22 GLY H H 22 8.146 8.146 7.690 0.456 19832 1027 1 9 . 1 1 23 23 TYR N N 23 119.224 119.224 122.929 -3.705 19832 1028 1 9 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.944 -0.437 19832 1029 1 9 . 1 1 23 23 TYR H H 23 7.870 7.870 7.886 -0.016 19832 1030 1 9 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.396 -0.015 19832 1031 1 9 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.146 -0.699 19832 1032 1 9 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.268 -0.752 19832 1033 1 9 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.797 -0.411 19832 1034 1 9 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.310 0.442 19832 1035 1 9 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.964 -1.476 19832 1036 1 9 . 1 1 25 25 TRP H H 25 6.924 6.924 7.862 -0.938 19832 1037 1 9 . 1 1 26 26 GLU N N 26 119.971 119.971 122.413 -2.442 19832 1038 1 9 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.920 0.533 19832 1039 1 9 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.455 0.190 19832 1040 1 9 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.972 0.833 19832 1041 1 9 . 1 1 26 26 GLU H H 26 7.653 7.653 7.458 0.195 19832 1042 1 9 . 1 1 27 27 ARG N N 27 120.787 120.787 124.893 -4.106 19832 1043 1 9 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.472 -0.115 19832 1044 1 9 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.028 0.378 19832 1045 1 9 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.207 -0.444 19832 1046 1 9 . 1 1 27 27 ARG H H 27 8.162 8.162 7.717 0.445 19832 1047 1 9 . 1 1 28 28 GLY N N 28 109.282 109.282 111.940 -2.658 19832 1048 1 9 . 1 1 28 28 GLY H H 28 8.483 8.483 7.961 0.522 19832 1049 1 9 . 1 1 29 29 LYS N N 29 120.396 120.396 119.982 0.414 19832 1050 1 9 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.698 -0.295 19832 1051 1 9 . 1 1 29 29 LYS CA C 29 55.875 55.875 58.058 -2.183 19832 1052 1 9 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.008 0.285 19832 1053 1 9 . 1 1 29 29 LYS H H 29 8.112 8.112 9.068 -0.956 19832 1054 1 10 . 1 1 2 2 LYS N N 2 124.386 124.386 122.428 1.958 19832 1055 1 10 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.647 -0.263 19832 1056 1 10 . 1 1 2 2 LYS CB C 2 32.959 32.959 34.032 -1.073 19832 1057 1 10 . 1 1 2 2 LYS H H 2 9.052 9.052 8.275 0.777 19832 1058 1 10 . 1 1 3 3 THR N N 3 116.039 116.039 119.816 -3.777 19832 1059 1 10 . 1 1 3 3 THR HA H 3 4.216 4.216 4.070 0.146 19832 1060 1 10 . 1 1 3 3 THR CB C 3 68.928 68.928 68.833 0.095 19832 1061 1 10 . 1 1 3 3 THR H H 3 8.478 8.478 8.837 -0.359 19832 1062 1 10 . 1 1 4 4 ILE N N 4 121.132 121.132 118.624 2.508 19832 1063 1 10 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.948 0.162 19832 1064 1 10 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.870 -0.298 19832 1065 1 10 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.900 1.054 19832 1066 1 10 . 1 1 4 4 ILE H H 4 8.556 8.556 7.902 0.654 19832 1067 1 10 . 1 1 5 5 LEU N N 5 119.569 119.569 121.062 -1.493 19832 1068 1 10 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.935 0.251 19832 1069 1 10 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.295 -1.077 19832 1070 1 10 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.081 -0.001 19832 1071 1 10 . 1 1 5 5 LEU H H 5 7.935 7.935 8.435 -0.500 19832 1072 1 10 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.959 0.168 19832 1073 1 10 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.059 -0.348 19832 1074 1 10 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.779 -0.092 19832 1075 1 10 . 1 1 6 6 ARG H H 6 8.008 8.008 7.807 0.201 19832 1076 1 10 . 1 1 7 7 PHE N N 7 118.637 118.637 117.401 1.236 19832 1077 1 10 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.346 0.132 19832 1078 1 10 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.956 0.157 19832 1079 1 10 . 1 1 7 7 PHE H H 7 7.948 7.948 7.778 0.170 19832 1080 1 10 . 1 1 8 8 VAL N N 8 116.441 116.441 120.772 -4.331 19832 1081 1 10 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.667 0.226 19832 1082 1 10 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.639 -0.674 19832 1083 1 10 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.843 0.022 19832 1084 1 10 . 1 1 8 8 VAL H H 8 8.014 8.014 8.101 -0.087 19832 1085 1 10 . 1 1 9 9 ALA N N 9 121.442 121.442 120.626 0.816 19832 1086 1 10 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.110 0.118 19832 1087 1 10 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.837 -0.370 19832 1088 1 10 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.233 0.246 19832 1089 1 10 . 1 1 9 9 ALA H H 9 8.083 8.083 8.519 -0.436 19832 1090 1 10 . 1 1 10 10 GLY N N 10 104.589 104.589 105.044 -0.455 19832 1091 1 10 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.929 -1.266 19832 1092 1 10 . 1 1 10 10 GLY H H 10 8.134 8.134 8.052 0.082 19832 1093 1 10 . 1 1 11 11 TYR N N 11 118.591 118.591 123.747 -5.156 19832 1094 1 10 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.122 0.201 19832 1095 1 10 . 1 1 11 11 TYR H H 11 8.006 8.006 7.537 0.469 19832 1096 1 10 . 1 1 12 12 ASP N N 12 119.339 119.339 118.076 1.263 19832 1097 1 10 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.124 0.485 19832 1098 1 10 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.541 -2.452 19832 1099 1 10 . 1 1 12 12 ASP H H 12 8.414 8.414 7.866 0.548 19832 1100 1 10 . 1 1 13 13 ILE N N 13 119.097 119.097 118.547 0.550 19832 1101 1 10 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.264 -0.270 19832 1102 1 10 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.468 1.679 19832 1103 1 10 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.365 1.119 19832 1104 1 10 . 1 1 13 13 ILE H H 13 8.156 8.156 7.384 0.772 19832 1105 1 10 . 1 1 14 14 ALA N N 14 123.581 123.581 122.811 0.770 19832 1106 1 10 . 1 1 14 14 ALA HA H 14 4.238 4.238 3.958 0.280 19832 1107 1 10 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.740 -1.122 19832 1108 1 10 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.022 0.795 19832 1109 1 10 . 1 1 14 14 ALA H H 14 8.274 8.274 8.112 0.162 19832 1110 1 10 . 1 1 15 15 SER N N 15 112.583 112.583 113.553 -0.970 19832 1111 1 10 . 1 1 15 15 SER HA H 15 4.299 4.299 4.094 0.205 19832 1112 1 10 . 1 1 15 15 SER CA C 15 59.441 59.441 61.104 -1.663 19832 1113 1 10 . 1 1 15 15 SER CB C 15 63.403 63.403 63.292 0.111 19832 1114 1 10 . 1 1 15 15 SER H H 15 8.061 8.061 7.890 0.171 19832 1115 1 10 . 1 1 16 16 HIS N N 16 120.408 120.408 116.320 4.088 19832 1116 1 10 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.667 0.029 19832 1117 1 10 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.791 -1.308 19832 1118 1 10 . 1 1 16 16 HIS H H 16 8.159 8.159 7.415 0.744 19832 1119 1 10 . 1 1 17 17 LYS N N 17 120.845 120.845 120.698 0.147 19832 1120 1 10 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.008 0.317 19832 1121 1 10 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.359 -1.677 19832 1122 1 10 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.844 0.152 19832 1123 1 10 . 1 1 17 17 LYS H H 17 8.080 8.080 7.396 0.684 19832 1124 1 10 . 1 1 18 18 LYS N N 18 121.661 121.661 117.473 4.188 19832 1125 1 10 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.364 -0.031 19832 1126 1 10 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.001 0.578 19832 1127 1 10 . 1 1 18 18 LYS H H 18 8.231 8.231 7.358 0.873 19832 1128 1 10 . 1 1 19 19 LYS N N 19 122.316 122.316 123.112 -0.796 19832 1129 1 10 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.428 -0.027 19832 1130 1 10 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.304 -0.704 19832 1131 1 10 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.934 0.039 19832 1132 1 10 . 1 1 19 19 LYS H H 19 8.392 8.392 8.639 -0.247 19832 1133 1 10 . 1 1 20 20 THR N N 20 113.974 113.974 112.396 1.578 19832 1134 1 10 . 1 1 20 20 THR HA H 20 4.405 4.405 4.521 -0.116 19832 1135 1 10 . 1 1 20 20 THR CA C 20 61.680 61.680 60.781 0.899 19832 1136 1 10 . 1 1 20 20 THR CB C 20 69.817 69.817 68.170 1.647 19832 1137 1 10 . 1 1 20 20 THR H H 20 8.085 8.085 7.850 0.235 19832 1138 1 10 . 1 1 21 21 GLY N N 21 110.706 110.706 111.197 -0.491 19832 1139 1 10 . 1 1 21 21 GLY CA C 21 45.310 45.310 44.585 0.725 19832 1140 1 10 . 1 1 21 21 GLY H H 21 8.360 8.360 7.542 0.818 19832 1141 1 10 . 1 1 22 22 GLY N N 22 107.728 107.728 111.365 -3.637 19832 1142 1 10 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.605 0.570 19832 1143 1 10 . 1 1 22 22 GLY H H 22 8.146 8.146 7.618 0.528 19832 1144 1 10 . 1 1 23 23 TYR N N 23 119.224 119.224 124.696 -5.472 19832 1145 1 10 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.783 -0.276 19832 1146 1 10 . 1 1 23 23 TYR H H 23 7.870 7.870 7.838 0.032 19832 1147 1 10 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.460 -0.079 19832 1148 1 10 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.016 -0.569 19832 1149 1 10 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.291 -0.775 19832 1150 1 10 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.949 -0.563 19832 1151 1 10 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.299 0.453 19832 1152 1 10 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.889 -1.401 19832 1153 1 10 . 1 1 25 25 TRP H H 25 6.924 6.924 7.990 -1.066 19832 1154 1 10 . 1 1 26 26 GLU N N 26 119.971 119.971 122.304 -2.333 19832 1155 1 10 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.938 0.515 19832 1156 1 10 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.452 0.194 19832 1157 1 10 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.035 0.770 19832 1158 1 10 . 1 1 26 26 GLU H H 26 7.653 7.653 7.478 0.175 19832 1159 1 10 . 1 1 27 27 ARG N N 27 120.787 120.787 123.530 -2.743 19832 1160 1 10 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.543 -0.186 19832 1161 1 10 . 1 1 27 27 ARG CA C 27 56.406 56.406 55.199 1.207 19832 1162 1 10 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.402 0.360 19832 1163 1 10 . 1 1 27 27 ARG H H 27 8.162 8.162 8.054 0.108 19832 1164 1 10 . 1 1 28 28 GLY N N 28 109.282 109.282 113.629 -4.347 19832 1165 1 10 . 1 1 28 28 GLY H H 28 8.483 8.483 8.230 0.253 19832 1166 1 10 . 1 1 29 29 LYS N N 29 120.396 120.396 120.415 -0.019 19832 1167 1 10 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.204 0.199 19832 1168 1 10 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.971 -1.096 19832 1169 1 10 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.895 0.398 19832 1170 1 10 . 1 1 29 29 LYS H H 29 8.112 8.112 8.124 -0.012 19832 1171 1 11 . 1 1 2 2 LYS N N 2 124.386 124.386 125.998 -1.612 19832 1172 1 11 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.301 0.083 19832 1173 1 11 . 1 1 2 2 LYS CB C 2 32.959 32.959 32.594 0.365 19832 1174 1 11 . 1 1 2 2 LYS H H 2 9.052 9.052 8.601 0.451 19832 1175 1 11 . 1 1 3 3 THR N N 3 116.039 116.039 119.795 -3.756 19832 1176 1 11 . 1 1 3 3 THR HA H 3 4.216 4.216 4.096 0.120 19832 1177 1 11 . 1 1 3 3 THR CB C 3 68.928 68.928 68.658 0.270 19832 1178 1 11 . 1 1 3 3 THR H H 3 8.478 8.478 8.697 -0.219 19832 1179 1 11 . 1 1 4 4 ILE N N 4 121.132 121.132 118.409 2.723 19832 1180 1 11 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.969 0.141 19832 1181 1 11 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.830 -0.258 19832 1182 1 11 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.849 1.105 19832 1183 1 11 . 1 1 4 4 ILE H H 4 8.556 8.556 7.840 0.716 19832 1184 1 11 . 1 1 5 5 LEU N N 5 119.569 119.569 121.053 -1.484 19832 1185 1 11 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.942 0.243 19832 1186 1 11 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.309 -1.091 19832 1187 1 11 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.066 0.014 19832 1188 1 11 . 1 1 5 5 LEU H H 5 7.935 7.935 8.422 -0.487 19832 1189 1 11 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.958 0.169 19832 1190 1 11 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.027 -0.316 19832 1191 1 11 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.857 -0.170 19832 1192 1 11 . 1 1 6 6 ARG H H 6 8.008 8.008 7.793 0.215 19832 1193 1 11 . 1 1 7 7 PHE N N 7 118.637 118.637 117.567 1.070 19832 1194 1 11 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.370 0.108 19832 1195 1 11 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.937 0.176 19832 1196 1 11 . 1 1 7 7 PHE H H 7 7.948 7.948 7.776 0.172 19832 1197 1 11 . 1 1 8 8 VAL N N 8 116.441 116.441 120.780 -4.339 19832 1198 1 11 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.680 0.213 19832 1199 1 11 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.651 -0.686 19832 1200 1 11 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.843 0.022 19832 1201 1 11 . 1 1 8 8 VAL H H 8 8.014 8.014 8.107 -0.093 19832 1202 1 11 . 1 1 9 9 ALA N N 9 121.442 121.442 120.656 0.786 19832 1203 1 11 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.102 0.126 19832 1204 1 11 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.861 -0.394 19832 1205 1 11 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.217 0.262 19832 1206 1 11 . 1 1 9 9 ALA H H 9 8.083 8.083 8.530 -0.447 19832 1207 1 11 . 1 1 10 10 GLY N N 10 104.589 104.589 105.589 -1.000 19832 1208 1 11 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.993 -1.330 19832 1209 1 11 . 1 1 10 10 GLY H H 10 8.134 8.134 8.024 0.110 19832 1210 1 11 . 1 1 11 11 TYR N N 11 118.591 118.591 123.720 -5.129 19832 1211 1 11 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.185 0.138 19832 1212 1 11 . 1 1 11 11 TYR H H 11 8.006 8.006 7.416 0.590 19832 1213 1 11 . 1 1 12 12 ASP N N 12 119.339 119.339 118.346 0.993 19832 1214 1 11 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.126 0.483 19832 1215 1 11 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.664 -2.575 19832 1216 1 11 . 1 1 12 12 ASP H H 12 8.414 8.414 7.836 0.578 19832 1217 1 11 . 1 1 13 13 ILE N N 13 119.097 119.097 118.467 0.630 19832 1218 1 11 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.012 -0.018 19832 1219 1 11 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.176 1.971 19832 1220 1 11 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.318 1.166 19832 1221 1 11 . 1 1 13 13 ILE H H 13 8.156 8.156 7.541 0.615 19832 1222 1 11 . 1 1 14 14 ALA N N 14 123.581 123.581 123.644 -0.063 19832 1223 1 11 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.138 0.100 19832 1224 1 11 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.166 -1.548 19832 1225 1 11 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.001 0.816 19832 1226 1 11 . 1 1 14 14 ALA H H 14 8.274 8.274 8.381 -0.107 19832 1227 1 11 . 1 1 15 15 SER N N 15 112.583 112.583 112.884 -0.301 19832 1228 1 11 . 1 1 15 15 SER HA H 15 4.299 4.299 4.091 0.208 19832 1229 1 11 . 1 1 15 15 SER CA C 15 59.441 59.441 61.672 -2.231 19832 1230 1 11 . 1 1 15 15 SER CB C 15 63.403 63.403 62.871 0.532 19832 1231 1 11 . 1 1 15 15 SER H H 15 8.061 8.061 7.826 0.235 19832 1232 1 11 . 1 1 16 16 HIS N N 16 120.408 120.408 117.400 3.008 19832 1233 1 11 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.595 0.101 19832 1234 1 11 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.731 -2.248 19832 1235 1 11 . 1 1 16 16 HIS H H 16 8.159 8.159 7.601 0.557 19832 1236 1 11 . 1 1 17 17 LYS N N 17 120.845 120.845 120.521 0.324 19832 1237 1 11 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.135 0.190 19832 1238 1 11 . 1 1 17 17 LYS CA C 17 56.682 56.682 57.811 -1.129 19832 1239 1 11 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.112 -0.117 19832 1240 1 11 . 1 1 17 17 LYS H H 17 8.080 8.080 7.628 0.452 19832 1241 1 11 . 1 1 18 18 LYS N N 18 121.661 121.661 116.158 5.503 19832 1242 1 11 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.474 -0.141 19832 1243 1 11 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.152 0.427 19832 1244 1 11 . 1 1 18 18 LYS H H 18 8.231 8.231 7.859 0.372 19832 1245 1 11 . 1 1 19 19 LYS N N 19 122.316 122.316 123.973 -1.657 19832 1246 1 11 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.365 0.036 19832 1247 1 11 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.982 -0.382 19832 1248 1 11 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.083 -0.110 19832 1249 1 11 . 1 1 19 19 LYS H H 19 8.392 8.392 8.649 -0.257 19832 1250 1 11 . 1 1 20 20 THR N N 20 113.974 113.974 112.242 1.732 19832 1251 1 11 . 1 1 20 20 THR HA H 20 4.405 4.405 4.576 -0.171 19832 1252 1 11 . 1 1 20 20 THR CA C 20 61.680 61.680 60.978 0.702 19832 1253 1 11 . 1 1 20 20 THR CB C 20 69.817 69.817 68.604 1.213 19832 1254 1 11 . 1 1 20 20 THR H H 20 8.085 8.085 7.642 0.443 19832 1255 1 11 . 1 1 21 21 GLY N N 21 110.706 110.706 110.581 0.125 19832 1256 1 11 . 1 1 21 21 GLY CA C 21 45.310 45.310 44.323 0.987 19832 1257 1 11 . 1 1 21 21 GLY H H 21 8.360 8.360 8.747 -0.387 19832 1258 1 11 . 1 1 22 22 GLY N N 22 107.728 107.728 107.876 -0.148 19832 1259 1 11 . 1 1 22 22 GLY CA C 22 45.175 45.175 45.282 -0.107 19832 1260 1 11 . 1 1 22 22 GLY H H 22 8.146 8.146 7.700 0.446 19832 1261 1 11 . 1 1 23 23 TYR N N 23 119.224 119.224 120.523 -1.299 19832 1262 1 11 . 1 1 23 23 TYR HA H 23 4.507 4.507 5.035 -0.528 19832 1263 1 11 . 1 1 23 23 TYR H H 23 7.870 7.870 7.780 0.090 19832 1264 1 11 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.510 -0.129 19832 1265 1 11 . 1 1 24 24 PRO CA C 24 64.447 64.447 64.946 -0.499 19832 1266 1 11 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.384 -0.868 19832 1267 1 11 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.952 -0.566 19832 1268 1 11 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.298 0.454 19832 1269 1 11 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.893 -1.405 19832 1270 1 11 . 1 1 25 25 TRP H H 25 6.924 6.924 7.993 -1.069 19832 1271 1 11 . 1 1 26 26 GLU N N 26 119.971 119.971 122.029 -2.058 19832 1272 1 11 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.984 0.469 19832 1273 1 11 . 1 1 26 26 GLU CA C 26 55.645 55.645 54.951 0.694 19832 1274 1 11 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.986 0.819 19832 1275 1 11 . 1 1 26 26 GLU H H 26 7.653 7.653 7.550 0.103 19832 1276 1 11 . 1 1 27 27 ARG N N 27 120.787 120.787 124.549 -3.762 19832 1277 1 11 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.154 0.203 19832 1278 1 11 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.795 -0.389 19832 1279 1 11 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.870 -0.107 19832 1280 1 11 . 1 1 27 27 ARG H H 27 8.162 8.162 7.966 0.196 19832 1281 1 11 . 1 1 28 28 GLY N N 28 109.282 109.282 106.242 3.040 19832 1282 1 11 . 1 1 28 28 GLY H H 28 8.483 8.483 7.757 0.726 19832 1283 1 11 . 1 1 29 29 LYS N N 29 120.396 120.396 120.772 -0.376 19832 1284 1 11 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.539 -0.136 19832 1285 1 11 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.364 -0.489 19832 1286 1 11 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.207 0.086 19832 1287 1 11 . 1 1 29 29 LYS H H 29 8.112 8.112 8.500 -0.388 19832 1288 1 12 . 1 1 2 2 LYS N N 2 124.386 124.386 123.601 0.785 19832 1289 1 12 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.701 -0.317 19832 1290 1 12 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.382 -0.423 19832 1291 1 12 . 1 1 2 2 LYS H H 2 9.052 9.052 8.627 0.425 19832 1292 1 12 . 1 1 3 3 THR N N 3 116.039 116.039 119.478 -3.439 19832 1293 1 12 . 1 1 3 3 THR HA H 3 4.216 4.216 4.034 0.182 19832 1294 1 12 . 1 1 3 3 THR CB C 3 68.928 68.928 68.844 0.084 19832 1295 1 12 . 1 1 3 3 THR H H 3 8.478 8.478 8.908 -0.430 19832 1296 1 12 . 1 1 4 4 ILE N N 4 121.132 121.132 118.421 2.711 19832 1297 1 12 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.943 0.167 19832 1298 1 12 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.861 -0.289 19832 1299 1 12 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.938 1.016 19832 1300 1 12 . 1 1 4 4 ILE H H 4 8.556 8.556 7.893 0.663 19832 1301 1 12 . 1 1 5 5 LEU N N 5 119.569 119.569 121.076 -1.507 19832 1302 1 12 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.945 0.241 19832 1303 1 12 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.299 -1.081 19832 1304 1 12 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.068 0.012 19832 1305 1 12 . 1 1 5 5 LEU H H 5 7.935 7.935 8.416 -0.481 19832 1306 1 12 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.957 0.170 19832 1307 1 12 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.054 -0.343 19832 1308 1 12 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.857 -0.170 19832 1309 1 12 . 1 1 6 6 ARG H H 6 8.008 8.008 7.791 0.217 19832 1310 1 12 . 1 1 7 7 PHE N N 7 118.637 118.637 117.637 1.000 19832 1311 1 12 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.377 0.101 19832 1312 1 12 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.922 0.191 19832 1313 1 12 . 1 1 7 7 PHE H H 7 7.948 7.948 7.769 0.179 19832 1314 1 12 . 1 1 8 8 VAL N N 8 116.441 116.441 120.768 -4.327 19832 1315 1 12 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.674 0.219 19832 1316 1 12 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.638 -0.673 19832 1317 1 12 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.842 0.023 19832 1318 1 12 . 1 1 8 8 VAL H H 8 8.014 8.014 8.098 -0.084 19832 1319 1 12 . 1 1 9 9 ALA N N 9 121.442 121.442 120.640 0.802 19832 1320 1 12 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.098 0.130 19832 1321 1 12 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.824 -0.357 19832 1322 1 12 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.229 0.250 19832 1323 1 12 . 1 1 9 9 ALA H H 9 8.083 8.083 8.512 -0.429 19832 1324 1 12 . 1 1 10 10 GLY N N 10 104.589 104.589 105.344 -0.755 19832 1325 1 12 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.930 -1.267 19832 1326 1 12 . 1 1 10 10 GLY H H 10 8.134 8.134 8.023 0.111 19832 1327 1 12 . 1 1 11 11 TYR N N 11 118.591 118.591 123.716 -5.125 19832 1328 1 12 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.178 0.145 19832 1329 1 12 . 1 1 11 11 TYR H H 11 8.006 8.006 7.462 0.544 19832 1330 1 12 . 1 1 12 12 ASP N N 12 119.339 119.339 117.117 2.222 19832 1331 1 12 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.119 0.490 19832 1332 1 12 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.708 -2.619 19832 1333 1 12 . 1 1 12 12 ASP H H 12 8.414 8.414 7.799 0.615 19832 1334 1 12 . 1 1 13 13 ILE N N 13 119.097 119.097 118.120 0.977 19832 1335 1 12 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.988 0.006 19832 1336 1 12 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.793 1.354 19832 1337 1 12 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.469 1.015 19832 1338 1 12 . 1 1 13 13 ILE H H 13 8.156 8.156 7.489 0.667 19832 1339 1 12 . 1 1 14 14 ALA N N 14 123.581 123.581 123.704 -0.123 19832 1340 1 12 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.148 0.090 19832 1341 1 12 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.099 -1.481 19832 1342 1 12 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.121 0.696 19832 1343 1 12 . 1 1 14 14 ALA H H 14 8.274 8.274 8.325 -0.051 19832 1344 1 12 . 1 1 15 15 SER N N 15 112.583 112.583 112.777 -0.194 19832 1345 1 12 . 1 1 15 15 SER HA H 15 4.299 4.299 4.130 0.169 19832 1346 1 12 . 1 1 15 15 SER CA C 15 59.441 59.441 61.532 -2.091 19832 1347 1 12 . 1 1 15 15 SER CB C 15 63.403 63.403 63.100 0.303 19832 1348 1 12 . 1 1 15 15 SER H H 15 8.061 8.061 7.831 0.230 19832 1349 1 12 . 1 1 16 16 HIS N N 16 120.408 120.408 117.148 3.260 19832 1350 1 12 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.624 0.072 19832 1351 1 12 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.884 -2.401 19832 1352 1 12 . 1 1 16 16 HIS H H 16 8.159 8.159 7.644 0.515 19832 1353 1 12 . 1 1 17 17 LYS N N 17 120.845 120.845 119.948 0.897 19832 1354 1 12 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.169 0.156 19832 1355 1 12 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.024 -1.342 19832 1356 1 12 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.967 0.029 19832 1357 1 12 . 1 1 17 17 LYS H H 17 8.080 8.080 7.983 0.097 19832 1358 1 12 . 1 1 18 18 LYS N N 18 121.661 121.661 119.675 1.986 19832 1359 1 12 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.354 -0.021 19832 1360 1 12 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.908 0.671 19832 1361 1 12 . 1 1 18 18 LYS H H 18 8.231 8.231 7.791 0.440 19832 1362 1 12 . 1 1 19 19 LYS N N 19 122.316 122.316 123.575 -1.259 19832 1363 1 12 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.385 0.016 19832 1364 1 12 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.631 -0.031 19832 1365 1 12 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.417 -0.444 19832 1366 1 12 . 1 1 19 19 LYS H H 19 8.392 8.392 8.633 -0.241 19832 1367 1 12 . 1 1 20 20 THR N N 20 113.974 113.974 112.054 1.920 19832 1368 1 12 . 1 1 20 20 THR HA H 20 4.405 4.405 4.444 -0.039 19832 1369 1 12 . 1 1 20 20 THR CA C 20 61.680 61.680 61.823 -0.143 19832 1370 1 12 . 1 1 20 20 THR CB C 20 69.817 69.817 69.853 -0.036 19832 1371 1 12 . 1 1 20 20 THR H H 20 8.085 8.085 7.584 0.501 19832 1372 1 12 . 1 1 21 21 GLY N N 21 110.706 110.706 112.861 -2.155 19832 1373 1 12 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.492 -0.182 19832 1374 1 12 . 1 1 21 21 GLY H H 21 8.360 8.360 8.345 0.015 19832 1375 1 12 . 1 1 22 22 GLY N N 22 107.728 107.728 110.245 -2.517 19832 1376 1 12 . 1 1 22 22 GLY CA C 22 45.175 45.175 45.444 -0.270 19832 1377 1 12 . 1 1 22 22 GLY H H 22 8.146 8.146 7.995 0.151 19832 1378 1 12 . 1 1 23 23 TYR N N 23 119.224 119.224 124.581 -5.357 19832 1379 1 12 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.726 -0.219 19832 1380 1 12 . 1 1 23 23 TYR H H 23 7.870 7.870 7.756 0.114 19832 1381 1 12 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.476 -0.095 19832 1382 1 12 . 1 1 24 24 PRO CA C 24 64.447 64.447 64.911 -0.464 19832 1383 1 12 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.333 -0.817 19832 1384 1 12 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.799 -0.413 19832 1385 1 12 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.302 0.450 19832 1386 1 12 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.961 -1.473 19832 1387 1 12 . 1 1 25 25 TRP H H 25 6.924 6.924 7.860 -0.936 19832 1388 1 12 . 1 1 26 26 GLU N N 26 119.971 119.971 122.382 -2.411 19832 1389 1 12 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.963 0.490 19832 1390 1 12 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.501 0.145 19832 1391 1 12 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.997 0.808 19832 1392 1 12 . 1 1 26 26 GLU H H 26 7.653 7.653 7.511 0.142 19832 1393 1 12 . 1 1 27 27 ARG N N 27 120.787 120.787 123.664 -2.877 19832 1394 1 12 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.596 -0.239 19832 1395 1 12 . 1 1 27 27 ARG CA C 27 56.406 56.406 55.475 0.930 19832 1396 1 12 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.643 -0.880 19832 1397 1 12 . 1 1 27 27 ARG H H 27 8.162 8.162 7.729 0.433 19832 1398 1 12 . 1 1 28 28 GLY N N 28 109.282 109.282 111.542 -2.260 19832 1399 1 12 . 1 1 28 28 GLY H H 28 8.483 8.483 8.174 0.309 19832 1400 1 12 . 1 1 29 29 LYS N N 29 120.396 120.396 121.134 -0.738 19832 1401 1 12 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.559 -0.156 19832 1402 1 12 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.835 -1.960 19832 1403 1 12 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.800 0.493 19832 1404 1 12 . 1 1 29 29 LYS H H 29 8.112 8.112 8.762 -0.650 19832 1405 1 13 . 1 1 2 2 LYS N N 2 124.386 124.386 122.282 2.104 19832 1406 1 13 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.446 -0.062 19832 1407 1 13 . 1 1 2 2 LYS CB C 2 32.959 32.959 32.602 0.357 19832 1408 1 13 . 1 1 2 2 LYS H H 2 9.052 9.052 8.574 0.478 19832 1409 1 13 . 1 1 3 3 THR N N 3 116.039 116.039 120.212 -4.173 19832 1410 1 13 . 1 1 3 3 THR HA H 3 4.216 4.216 3.992 0.224 19832 1411 1 13 . 1 1 3 3 THR CB C 3 68.928 68.928 68.840 0.088 19832 1412 1 13 . 1 1 3 3 THR H H 3 8.478 8.478 8.710 -0.232 19832 1413 1 13 . 1 1 4 4 ILE N N 4 121.132 121.132 118.369 2.763 19832 1414 1 13 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.939 0.171 19832 1415 1 13 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.856 -0.284 19832 1416 1 13 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.947 1.006 19832 1417 1 13 . 1 1 4 4 ILE H H 4 8.556 8.556 7.888 0.668 19832 1418 1 13 . 1 1 5 5 LEU N N 5 119.569 119.569 121.081 -1.512 19832 1419 1 13 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.939 0.247 19832 1420 1 13 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.298 -1.080 19832 1421 1 13 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.060 0.020 19832 1422 1 13 . 1 1 5 5 LEU H H 5 7.935 7.935 8.411 -0.476 19832 1423 1 13 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.957 0.170 19832 1424 1 13 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.097 -0.386 19832 1425 1 13 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.886 -0.199 19832 1426 1 13 . 1 1 6 6 ARG H H 6 8.008 8.008 7.786 0.222 19832 1427 1 13 . 1 1 7 7 PHE N N 7 118.637 118.637 117.644 0.993 19832 1428 1 13 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.374 0.104 19832 1429 1 13 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.928 0.185 19832 1430 1 13 . 1 1 7 7 PHE H H 7 7.948 7.948 7.771 0.177 19832 1431 1 13 . 1 1 8 8 VAL N N 8 116.441 116.441 120.763 -4.322 19832 1432 1 13 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.667 0.226 19832 1433 1 13 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.626 -0.661 19832 1434 1 13 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.834 0.031 19832 1435 1 13 . 1 1 8 8 VAL H H 8 8.014 8.014 8.099 -0.085 19832 1436 1 13 . 1 1 9 9 ALA N N 9 121.442 121.442 120.622 0.820 19832 1437 1 13 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.083 0.145 19832 1438 1 13 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.857 -0.390 19832 1439 1 13 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.201 0.278 19832 1440 1 13 . 1 1 9 9 ALA H H 9 8.083 8.083 8.523 -0.440 19832 1441 1 13 . 1 1 10 10 GLY N N 10 104.589 104.589 105.504 -0.915 19832 1442 1 13 . 1 1 10 10 GLY CA C 10 44.663 44.663 46.045 -1.382 19832 1443 1 13 . 1 1 10 10 GLY H H 10 8.134 8.134 8.042 0.092 19832 1444 1 13 . 1 1 11 11 TYR N N 11 118.591 118.591 123.552 -4.961 19832 1445 1 13 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.156 0.167 19832 1446 1 13 . 1 1 11 11 TYR H H 11 8.006 8.006 7.475 0.531 19832 1447 1 13 . 1 1 12 12 ASP N N 12 119.339 119.339 118.020 1.319 19832 1448 1 13 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.007 0.602 19832 1449 1 13 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.652 -2.563 19832 1450 1 13 . 1 1 12 12 ASP H H 12 8.414 8.414 7.820 0.594 19832 1451 1 13 . 1 1 13 13 ILE N N 13 119.097 119.097 118.953 0.144 19832 1452 1 13 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.809 0.185 19832 1453 1 13 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.612 1.534 19832 1454 1 13 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.524 0.960 19832 1455 1 13 . 1 1 13 13 ILE H H 13 8.156 8.156 7.486 0.670 19832 1456 1 13 . 1 1 14 14 ALA N N 14 123.581 123.581 120.957 2.624 19832 1457 1 13 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.169 0.069 19832 1458 1 13 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.657 -1.039 19832 1459 1 13 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.430 0.387 19832 1460 1 13 . 1 1 14 14 ALA H H 14 8.274 8.274 8.189 0.085 19832 1461 1 13 . 1 1 15 15 SER N N 15 112.583 112.583 114.966 -2.383 19832 1462 1 13 . 1 1 15 15 SER HA H 15 4.299 4.299 4.226 0.073 19832 1463 1 13 . 1 1 15 15 SER CA C 15 59.441 59.441 60.891 -1.450 19832 1464 1 13 . 1 1 15 15 SER CB C 15 63.403 63.403 62.992 0.410 19832 1465 1 13 . 1 1 15 15 SER H H 15 8.061 8.061 7.824 0.237 19832 1466 1 13 . 1 1 16 16 HIS N N 16 120.408 120.408 117.261 3.147 19832 1467 1 13 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.764 -0.068 19832 1468 1 13 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.814 -1.331 19832 1469 1 13 . 1 1 16 16 HIS H H 16 8.159 8.159 7.692 0.467 19832 1470 1 13 . 1 1 17 17 LYS N N 17 120.845 120.845 121.520 -0.675 19832 1471 1 13 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.126 0.199 19832 1472 1 13 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.922 -2.240 19832 1473 1 13 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.948 0.048 19832 1474 1 13 . 1 1 17 17 LYS H H 17 8.080 8.080 7.428 0.652 19832 1475 1 13 . 1 1 18 18 LYS N N 18 121.661 121.661 117.796 3.865 19832 1476 1 13 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.430 -0.097 19832 1477 1 13 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.382 0.197 19832 1478 1 13 . 1 1 18 18 LYS H H 18 8.231 8.231 8.262 -0.031 19832 1479 1 13 . 1 1 19 19 LYS N N 19 122.316 122.316 122.087 0.229 19832 1480 1 13 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.315 0.086 19832 1481 1 13 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.851 -0.251 19832 1482 1 13 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.178 -0.205 19832 1483 1 13 . 1 1 19 19 LYS H H 19 8.392 8.392 8.717 -0.325 19832 1484 1 13 . 1 1 20 20 THR N N 20 113.974 113.974 112.708 1.266 19832 1485 1 13 . 1 1 20 20 THR HA H 20 4.405 4.405 4.308 0.097 19832 1486 1 13 . 1 1 20 20 THR CA C 20 61.680 61.680 62.097 -0.417 19832 1487 1 13 . 1 1 20 20 THR CB C 20 69.817 69.817 69.444 0.373 19832 1488 1 13 . 1 1 20 20 THR H H 20 8.085 8.085 7.425 0.660 19832 1489 1 13 . 1 1 21 21 GLY N N 21 110.706 110.706 114.228 -3.522 19832 1490 1 13 . 1 1 21 21 GLY CA C 21 45.310 45.310 44.619 0.691 19832 1491 1 13 . 1 1 21 21 GLY H H 21 8.360 8.360 8.352 0.008 19832 1492 1 13 . 1 1 22 22 GLY N N 22 107.728 107.728 110.993 -3.265 19832 1493 1 13 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.804 0.371 19832 1494 1 13 . 1 1 22 22 GLY H H 22 8.146 8.146 8.441 -0.295 19832 1495 1 13 . 1 1 23 23 TYR N N 23 119.224 119.224 118.614 0.610 19832 1496 1 13 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.879 -0.372 19832 1497 1 13 . 1 1 23 23 TYR H H 23 7.870 7.870 7.612 0.258 19832 1498 1 13 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.457 -0.076 19832 1499 1 13 . 1 1 24 24 PRO CA C 24 64.447 64.447 64.903 -0.456 19832 1500 1 13 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.349 -0.833 19832 1501 1 13 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.947 -0.561 19832 1502 1 13 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.296 0.456 19832 1503 1 13 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.894 -1.406 19832 1504 1 13 . 1 1 25 25 TRP H H 25 6.924 6.924 7.989 -1.065 19832 1505 1 13 . 1 1 26 26 GLU N N 26 119.971 119.971 122.491 -2.520 19832 1506 1 13 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.932 0.521 19832 1507 1 13 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.451 0.194 19832 1508 1 13 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.853 0.952 19832 1509 1 13 . 1 1 26 26 GLU H H 26 7.653 7.653 7.476 0.177 19832 1510 1 13 . 1 1 27 27 ARG N N 27 120.787 120.787 124.430 -3.643 19832 1511 1 13 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.496 -0.139 19832 1512 1 13 . 1 1 27 27 ARG CA C 27 56.406 56.406 55.862 0.544 19832 1513 1 13 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.221 -0.458 19832 1514 1 13 . 1 1 27 27 ARG H H 27 8.162 8.162 8.013 0.149 19832 1515 1 13 . 1 1 28 28 GLY N N 28 109.282 109.282 114.946 -5.664 19832 1516 1 13 . 1 1 28 28 GLY H H 28 8.483 8.483 8.378 0.105 19832 1517 1 13 . 1 1 29 29 LYS N N 29 120.396 120.396 119.802 0.594 19832 1518 1 13 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.642 -0.239 19832 1519 1 13 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.653 -1.778 19832 1520 1 13 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.493 -0.200 19832 1521 1 13 . 1 1 29 29 LYS H H 29 8.112 8.112 8.582 -0.470 19832 1522 1 14 . 1 1 2 2 LYS N N 2 124.386 124.386 122.886 1.500 19832 1523 1 14 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.613 -0.229 19832 1524 1 14 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.243 -0.284 19832 1525 1 14 . 1 1 2 2 LYS H H 2 9.052 9.052 8.574 0.478 19832 1526 1 14 . 1 1 3 3 THR N N 3 116.039 116.039 119.972 -3.933 19832 1527 1 14 . 1 1 3 3 THR HA H 3 4.216 4.216 4.032 0.184 19832 1528 1 14 . 1 1 3 3 THR CB C 3 68.928 68.928 68.774 0.154 19832 1529 1 14 . 1 1 3 3 THR H H 3 8.478 8.478 8.888 -0.410 19832 1530 1 14 . 1 1 4 4 ILE N N 4 121.132 121.132 117.931 3.201 19832 1531 1 14 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.930 0.180 19832 1532 1 14 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.892 -0.320 19832 1533 1 14 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.992 0.962 19832 1534 1 14 . 1 1 4 4 ILE H H 4 8.556 8.556 7.848 0.708 19832 1535 1 14 . 1 1 5 5 LEU N N 5 119.569 119.569 121.013 -1.444 19832 1536 1 14 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.935 0.251 19832 1537 1 14 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.302 -1.084 19832 1538 1 14 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.071 0.009 19832 1539 1 14 . 1 1 5 5 LEU H H 5 7.935 7.935 8.427 -0.492 19832 1540 1 14 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.956 0.171 19832 1541 1 14 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.013 -0.302 19832 1542 1 14 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.796 -0.109 19832 1543 1 14 . 1 1 6 6 ARG H H 6 8.008 8.008 7.805 0.203 19832 1544 1 14 . 1 1 7 7 PHE N N 7 118.637 118.637 117.106 1.531 19832 1545 1 14 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.365 0.113 19832 1546 1 14 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.834 0.279 19832 1547 1 14 . 1 1 7 7 PHE H H 7 7.948 7.948 7.799 0.149 19832 1548 1 14 . 1 1 8 8 VAL N N 8 116.441 116.441 121.009 -4.568 19832 1549 1 14 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.740 0.153 19832 1550 1 14 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.320 -0.355 19832 1551 1 14 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.777 0.088 19832 1552 1 14 . 1 1 8 8 VAL H H 8 8.014 8.014 8.085 -0.071 19832 1553 1 14 . 1 1 9 9 ALA N N 9 121.442 121.442 120.685 0.757 19832 1554 1 14 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.132 0.096 19832 1555 1 14 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.925 -0.458 19832 1556 1 14 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.191 0.288 19832 1557 1 14 . 1 1 9 9 ALA H H 9 8.083 8.083 8.483 -0.400 19832 1558 1 14 . 1 1 10 10 GLY N N 10 104.589 104.589 105.488 -0.899 19832 1559 1 14 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.904 -1.241 19832 1560 1 14 . 1 1 10 10 GLY H H 10 8.134 8.134 8.024 0.110 19832 1561 1 14 . 1 1 11 11 TYR N N 11 118.591 118.591 123.639 -5.048 19832 1562 1 14 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.184 0.139 19832 1563 1 14 . 1 1 11 11 TYR H H 11 8.006 8.006 7.422 0.584 19832 1564 1 14 . 1 1 12 12 ASP N N 12 119.339 119.339 118.033 1.306 19832 1565 1 14 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.123 0.486 19832 1566 1 14 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.953 -2.864 19832 1567 1 14 . 1 1 12 12 ASP H H 12 8.414 8.414 7.858 0.556 19832 1568 1 14 . 1 1 13 13 ILE N N 13 119.097 119.097 118.622 0.475 19832 1569 1 14 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.074 -0.080 19832 1570 1 14 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.300 1.847 19832 1571 1 14 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.272 1.212 19832 1572 1 14 . 1 1 13 13 ILE H H 13 8.156 8.156 7.565 0.591 19832 1573 1 14 . 1 1 14 14 ALA N N 14 123.581 123.581 123.683 -0.102 19832 1574 1 14 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.112 0.126 19832 1575 1 14 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.194 -1.576 19832 1576 1 14 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.074 0.743 19832 1577 1 14 . 1 1 14 14 ALA H H 14 8.274 8.274 8.337 -0.063 19832 1578 1 14 . 1 1 15 15 SER N N 15 112.583 112.583 113.649 -1.066 19832 1579 1 14 . 1 1 15 15 SER HA H 15 4.299 4.299 4.020 0.279 19832 1580 1 14 . 1 1 15 15 SER CA C 15 59.441 59.441 61.676 -2.236 19832 1581 1 14 . 1 1 15 15 SER CB C 15 63.403 63.403 62.777 0.626 19832 1582 1 14 . 1 1 15 15 SER H H 15 8.061 8.061 7.794 0.267 19832 1583 1 14 . 1 1 16 16 HIS N N 16 120.408 120.408 117.644 2.764 19832 1584 1 14 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.496 0.200 19832 1585 1 14 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.141 -1.658 19832 1586 1 14 . 1 1 16 16 HIS H H 16 8.159 8.159 7.773 0.386 19832 1587 1 14 . 1 1 17 17 LYS N N 17 120.845 120.845 120.345 0.500 19832 1588 1 14 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.135 0.190 19832 1589 1 14 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.682 -2.000 19832 1590 1 14 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.294 -0.298 19832 1591 1 14 . 1 1 17 17 LYS H H 17 8.080 8.080 7.599 0.481 19832 1592 1 14 . 1 1 18 18 LYS N N 18 121.661 121.661 117.670 3.991 19832 1593 1 14 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.455 -0.122 19832 1594 1 14 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.778 0.801 19832 1595 1 14 . 1 1 18 18 LYS H H 18 8.231 8.231 8.093 0.138 19832 1596 1 14 . 1 1 19 19 LYS N N 19 122.316 122.316 124.795 -2.479 19832 1597 1 14 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.358 0.043 19832 1598 1 14 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.159 -0.559 19832 1599 1 14 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.055 -0.082 19832 1600 1 14 . 1 1 19 19 LYS H H 19 8.392 8.392 8.750 -0.358 19832 1601 1 14 . 1 1 20 20 THR N N 20 113.974 113.974 112.737 1.237 19832 1602 1 14 . 1 1 20 20 THR HA H 20 4.405 4.405 4.450 -0.045 19832 1603 1 14 . 1 1 20 20 THR CA C 20 61.680 61.680 61.300 0.380 19832 1604 1 14 . 1 1 20 20 THR CB C 20 69.817 69.817 68.376 1.441 19832 1605 1 14 . 1 1 20 20 THR H H 20 8.085 8.085 7.648 0.437 19832 1606 1 14 . 1 1 21 21 GLY N N 21 110.706 110.706 110.619 0.087 19832 1607 1 14 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.928 -0.618 19832 1608 1 14 . 1 1 21 21 GLY H H 21 8.360 8.360 7.959 0.401 19832 1609 1 14 . 1 1 22 22 GLY N N 22 107.728 107.728 108.813 -1.085 19832 1610 1 14 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.778 0.397 19832 1611 1 14 . 1 1 22 22 GLY H H 22 8.146 8.146 7.612 0.534 19832 1612 1 14 . 1 1 23 23 TYR N N 23 119.224 119.224 123.605 -4.381 19832 1613 1 14 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.891 -0.384 19832 1614 1 14 . 1 1 23 23 TYR H H 23 7.870 7.870 7.860 0.010 19832 1615 1 14 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.405 -0.024 19832 1616 1 14 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.069 -0.622 19832 1617 1 14 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.207 -0.691 19832 1618 1 14 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.942 -0.556 19832 1619 1 14 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.285 0.467 19832 1620 1 14 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.900 -1.412 19832 1621 1 14 . 1 1 25 25 TRP H H 25 6.924 6.924 7.985 -1.061 19832 1622 1 14 . 1 1 26 26 GLU N N 26 119.971 119.971 122.718 -2.747 19832 1623 1 14 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.035 0.418 19832 1624 1 14 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.106 0.539 19832 1625 1 14 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.870 0.935 19832 1626 1 14 . 1 1 26 26 GLU H H 26 7.653 7.653 7.594 0.059 19832 1627 1 14 . 1 1 27 27 ARG N N 27 120.787 120.787 123.895 -3.108 19832 1628 1 14 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.305 0.052 19832 1629 1 14 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.194 0.212 19832 1630 1 14 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.812 -0.049 19832 1631 1 14 . 1 1 27 27 ARG H H 27 8.162 8.162 7.664 0.498 19832 1632 1 14 . 1 1 28 28 GLY N N 28 109.282 109.282 105.903 3.379 19832 1633 1 14 . 1 1 28 28 GLY H H 28 8.483 8.483 7.414 1.069 19832 1634 1 14 . 1 1 29 29 LYS N N 29 120.396 120.396 119.381 1.015 19832 1635 1 14 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.187 0.216 19832 1636 1 14 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.770 -0.895 19832 1637 1 14 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.887 0.406 19832 1638 1 14 . 1 1 29 29 LYS H H 29 8.112 8.112 8.147 -0.035 19832 1639 1 15 . 1 1 2 2 LYS N N 2 124.386 124.386 125.879 -1.493 19832 1640 1 15 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.231 0.153 19832 1641 1 15 . 1 1 2 2 LYS CB C 2 32.959 32.959 32.531 0.428 19832 1642 1 15 . 1 1 2 2 LYS H H 2 9.052 9.052 8.722 0.330 19832 1643 1 15 . 1 1 3 3 THR N N 3 116.039 116.039 120.009 -3.970 19832 1644 1 15 . 1 1 3 3 THR HA H 3 4.216 4.216 4.007 0.209 19832 1645 1 15 . 1 1 3 3 THR CB C 3 68.928 68.928 68.794 0.134 19832 1646 1 15 . 1 1 3 3 THR H H 3 8.478 8.478 8.619 -0.141 19832 1647 1 15 . 1 1 4 4 ILE N N 4 121.132 121.132 118.553 2.579 19832 1648 1 15 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.939 0.171 19832 1649 1 15 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.894 -0.322 19832 1650 1 15 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.918 1.036 19832 1651 1 15 . 1 1 4 4 ILE H H 4 8.556 8.556 7.902 0.654 19832 1652 1 15 . 1 1 5 5 LEU N N 5 119.569 119.569 121.265 -1.696 19832 1653 1 15 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.961 0.225 19832 1654 1 15 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.217 -0.999 19832 1655 1 15 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.092 -0.012 19832 1656 1 15 . 1 1 5 5 LEU H H 5 7.935 7.935 8.442 -0.507 19832 1657 1 15 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.993 0.134 19832 1658 1 15 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.625 0.086 19832 1659 1 15 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.439 0.249 19832 1660 1 15 . 1 1 6 6 ARG H H 6 8.008 8.008 7.864 0.144 19832 1661 1 15 . 1 1 7 7 PHE N N 7 118.637 118.637 117.785 0.852 19832 1662 1 15 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.417 0.061 19832 1663 1 15 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.847 0.266 19832 1664 1 15 . 1 1 7 7 PHE H H 7 7.948 7.948 7.768 0.180 19832 1665 1 15 . 1 1 8 8 VAL N N 8 116.441 116.441 120.772 -4.331 19832 1666 1 15 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.668 0.225 19832 1667 1 15 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.644 -0.679 19832 1668 1 15 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.832 0.033 19832 1669 1 15 . 1 1 8 8 VAL H H 8 8.014 8.014 8.123 -0.109 19832 1670 1 15 . 1 1 9 9 ALA N N 9 121.442 121.442 120.659 0.783 19832 1671 1 15 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.109 0.119 19832 1672 1 15 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.850 -0.383 19832 1673 1 15 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.236 0.243 19832 1674 1 15 . 1 1 9 9 ALA H H 9 8.083 8.083 8.521 -0.438 19832 1675 1 15 . 1 1 10 10 GLY N N 10 104.589 104.589 105.367 -0.778 19832 1676 1 15 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.938 -1.275 19832 1677 1 15 . 1 1 10 10 GLY H H 10 8.134 8.134 8.043 0.091 19832 1678 1 15 . 1 1 11 11 TYR N N 11 118.591 118.591 123.649 -5.058 19832 1679 1 15 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.129 0.194 19832 1680 1 15 . 1 1 11 11 TYR H H 11 8.006 8.006 7.444 0.562 19832 1681 1 15 . 1 1 12 12 ASP N N 12 119.339 119.339 118.205 1.134 19832 1682 1 15 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.078 0.531 19832 1683 1 15 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.507 -2.418 19832 1684 1 15 . 1 1 12 12 ASP H H 12 8.414 8.414 7.817 0.597 19832 1685 1 15 . 1 1 13 13 ILE N N 13 119.097 119.097 118.159 0.938 19832 1686 1 15 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.777 0.217 19832 1687 1 15 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.676 1.471 19832 1688 1 15 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.470 1.014 19832 1689 1 15 . 1 1 13 13 ILE H H 13 8.156 8.156 7.256 0.900 19832 1690 1 15 . 1 1 14 14 ALA N N 14 123.581 123.581 123.068 0.513 19832 1691 1 15 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.055 0.183 19832 1692 1 15 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.574 -0.956 19832 1693 1 15 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.020 0.797 19832 1694 1 15 . 1 1 14 14 ALA H H 14 8.274 8.274 8.393 -0.119 19832 1695 1 15 . 1 1 15 15 SER N N 15 112.583 112.583 113.542 -0.959 19832 1696 1 15 . 1 1 15 15 SER HA H 15 4.299 4.299 4.004 0.295 19832 1697 1 15 . 1 1 15 15 SER CA C 15 59.441 59.441 60.737 -1.296 19832 1698 1 15 . 1 1 15 15 SER CB C 15 63.403 63.403 63.029 0.374 19832 1699 1 15 . 1 1 15 15 SER H H 15 8.061 8.061 7.635 0.426 19832 1700 1 15 . 1 1 16 16 HIS N N 16 120.408 120.408 115.870 4.538 19832 1701 1 15 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.818 -0.122 19832 1702 1 15 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.792 -2.309 19832 1703 1 15 . 1 1 16 16 HIS H H 16 8.159 8.159 7.087 1.072 19832 1704 1 15 . 1 1 17 17 LYS N N 17 120.845 120.845 121.713 -0.868 19832 1705 1 15 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.340 -0.015 19832 1706 1 15 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.153 -1.471 19832 1707 1 15 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.601 -0.605 19832 1708 1 15 . 1 1 17 17 LYS H H 17 8.080 8.080 8.070 0.010 19832 1709 1 15 . 1 1 18 18 LYS N N 18 121.661 121.661 118.921 2.740 19832 1710 1 15 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.444 -0.111 19832 1711 1 15 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.887 0.692 19832 1712 1 15 . 1 1 18 18 LYS H H 18 8.231 8.231 7.568 0.663 19832 1713 1 15 . 1 1 19 19 LYS N N 19 122.316 122.316 122.067 0.249 19832 1714 1 15 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.397 0.004 19832 1715 1 15 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.418 -0.818 19832 1716 1 15 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.556 0.417 19832 1717 1 15 . 1 1 19 19 LYS H H 19 8.392 8.392 8.307 0.085 19832 1718 1 15 . 1 1 20 20 THR N N 20 113.974 113.974 112.024 1.950 19832 1719 1 15 . 1 1 20 20 THR HA H 20 4.405 4.405 4.402 0.003 19832 1720 1 15 . 1 1 20 20 THR CA C 20 61.680 61.680 61.389 0.291 19832 1721 1 15 . 1 1 20 20 THR CB C 20 69.817 69.817 70.189 -0.372 19832 1722 1 15 . 1 1 20 20 THR H H 20 8.085 8.085 7.338 0.747 19832 1723 1 15 . 1 1 21 21 GLY N N 21 110.706 110.706 112.392 -1.686 19832 1724 1 15 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.005 0.305 19832 1725 1 15 . 1 1 21 21 GLY H H 21 8.360 8.360 8.674 -0.314 19832 1726 1 15 . 1 1 22 22 GLY N N 22 107.728 107.728 109.441 -1.713 19832 1727 1 15 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.434 0.742 19832 1728 1 15 . 1 1 22 22 GLY H H 22 8.146 8.146 7.823 0.323 19832 1729 1 15 . 1 1 23 23 TYR N N 23 119.224 119.224 121.989 -2.765 19832 1730 1 15 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.856 -0.349 19832 1731 1 15 . 1 1 23 23 TYR H H 23 7.870 7.870 7.945 -0.075 19832 1732 1 15 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.423 -0.042 19832 1733 1 15 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.153 -0.705 19832 1734 1 15 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.168 -0.652 19832 1735 1 15 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.953 -0.567 19832 1736 1 15 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.296 0.456 19832 1737 1 15 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.905 -1.417 19832 1738 1 15 . 1 1 25 25 TRP H H 25 6.924 6.924 7.997 -1.073 19832 1739 1 15 . 1 1 26 26 GLU N N 26 119.971 119.971 123.003 -3.032 19832 1740 1 15 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.024 0.429 19832 1741 1 15 . 1 1 26 26 GLU CA C 26 55.645 55.645 54.683 0.962 19832 1742 1 15 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.992 0.813 19832 1743 1 15 . 1 1 26 26 GLU H H 26 7.653 7.653 7.577 0.076 19832 1744 1 15 . 1 1 27 27 ARG N N 27 120.787 120.787 125.340 -4.553 19832 1745 1 15 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.104 0.253 19832 1746 1 15 . 1 1 27 27 ARG CA C 27 56.406 56.406 57.915 -1.509 19832 1747 1 15 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.609 0.154 19832 1748 1 15 . 1 1 27 27 ARG H H 27 8.162 8.162 7.971 0.191 19832 1749 1 15 . 1 1 28 28 GLY N N 28 109.282 109.282 105.593 3.689 19832 1750 1 15 . 1 1 28 28 GLY H H 28 8.483 8.483 7.665 0.818 19832 1751 1 15 . 1 1 29 29 LYS N N 29 120.396 120.396 120.094 0.302 19832 1752 1 15 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.297 0.106 19832 1753 1 15 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.690 -0.815 19832 1754 1 15 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.451 -0.158 19832 1755 1 15 . 1 1 29 29 LYS H H 29 8.112 8.112 8.337 -0.225 19832 1756 1 16 . 1 1 2 2 LYS N N 2 124.386 124.386 122.615 1.771 19832 1757 1 16 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.663 -0.279 19832 1758 1 16 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.959 -1.000 19832 1759 1 16 . 1 1 2 2 LYS H H 2 9.052 9.052 8.126 0.926 19832 1760 1 16 . 1 1 3 3 THR N N 3 116.039 116.039 119.755 -3.716 19832 1761 1 16 . 1 1 3 3 THR HA H 3 4.216 4.216 4.094 0.122 19832 1762 1 16 . 1 1 3 3 THR CB C 3 68.928 68.928 68.851 0.077 19832 1763 1 16 . 1 1 3 3 THR H H 3 8.478 8.478 8.883 -0.405 19832 1764 1 16 . 1 1 4 4 ILE N N 4 121.132 121.132 118.731 2.401 19832 1765 1 16 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.956 0.154 19832 1766 1 16 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.866 -0.294 19832 1767 1 16 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.874 1.079 19832 1768 1 16 . 1 1 4 4 ILE H H 4 8.556 8.556 7.901 0.655 19832 1769 1 16 . 1 1 5 5 LEU N N 5 119.569 119.569 121.036 -1.467 19832 1770 1 16 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.935 0.251 19832 1771 1 16 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.300 -1.082 19832 1772 1 16 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.068 0.012 19832 1773 1 16 . 1 1 5 5 LEU H H 5 7.935 7.935 8.424 -0.489 19832 1774 1 16 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.948 0.179 19832 1775 1 16 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.002 -0.291 19832 1776 1 16 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.829 -0.142 19832 1777 1 16 . 1 1 6 6 ARG H H 6 8.008 8.008 7.791 0.217 19832 1778 1 16 . 1 1 7 7 PHE N N 7 118.637 118.637 117.429 1.208 19832 1779 1 16 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.345 0.133 19832 1780 1 16 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.819 0.294 19832 1781 1 16 . 1 1 7 7 PHE H H 7 7.948 7.948 7.796 0.152 19832 1782 1 16 . 1 1 8 8 VAL N N 8 116.441 116.441 121.049 -4.608 19832 1783 1 16 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.737 0.156 19832 1784 1 16 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.243 -0.278 19832 1785 1 16 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.392 0.473 19832 1786 1 16 . 1 1 8 8 VAL H H 8 8.014 8.014 8.086 -0.072 19832 1787 1 16 . 1 1 9 9 ALA N N 9 121.442 121.442 120.581 0.861 19832 1788 1 16 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.115 0.113 19832 1789 1 16 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.860 -0.393 19832 1790 1 16 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.386 0.093 19832 1791 1 16 . 1 1 9 9 ALA H H 9 8.083 8.083 8.527 -0.444 19832 1792 1 16 . 1 1 10 10 GLY N N 10 104.589 104.589 105.509 -0.920 19832 1793 1 16 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.959 -1.296 19832 1794 1 16 . 1 1 10 10 GLY H H 10 8.134 8.134 8.008 0.126 19832 1795 1 16 . 1 1 11 11 TYR N N 11 118.591 118.591 123.388 -4.797 19832 1796 1 16 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.115 0.208 19832 1797 1 16 . 1 1 11 11 TYR H H 11 8.006 8.006 7.433 0.573 19832 1798 1 16 . 1 1 12 12 ASP N N 12 119.339 119.339 117.170 2.169 19832 1799 1 16 . 1 1 12 12 ASP HA H 12 4.609 4.609 3.999 0.610 19832 1800 1 16 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.815 -2.726 19832 1801 1 16 . 1 1 12 12 ASP H H 12 8.414 8.414 7.751 0.663 19832 1802 1 16 . 1 1 13 13 ILE N N 13 119.097 119.097 118.476 0.621 19832 1803 1 16 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.887 0.107 19832 1804 1 16 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.395 1.752 19832 1805 1 16 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.463 1.021 19832 1806 1 16 . 1 1 13 13 ILE H H 13 8.156 8.156 7.449 0.707 19832 1807 1 16 . 1 1 14 14 ALA N N 14 123.581 123.581 123.380 0.201 19832 1808 1 16 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.094 0.144 19832 1809 1 16 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.878 -1.260 19832 1810 1 16 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.395 0.422 19832 1811 1 16 . 1 1 14 14 ALA H H 14 8.274 8.274 8.405 -0.131 19832 1812 1 16 . 1 1 15 15 SER N N 15 112.583 112.583 112.979 -0.396 19832 1813 1 16 . 1 1 15 15 SER HA H 15 4.299 4.299 4.200 0.099 19832 1814 1 16 . 1 1 15 15 SER CA C 15 59.441 59.441 60.982 -1.541 19832 1815 1 16 . 1 1 15 15 SER CB C 15 63.403 63.403 62.820 0.583 19832 1816 1 16 . 1 1 15 15 SER H H 15 8.061 8.061 8.114 -0.053 19832 1817 1 16 . 1 1 16 16 HIS N N 16 120.408 120.408 117.225 3.183 19832 1818 1 16 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.636 0.060 19832 1819 1 16 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.772 -2.289 19832 1820 1 16 . 1 1 16 16 HIS H H 16 8.159 8.159 7.491 0.668 19832 1821 1 16 . 1 1 17 17 LYS N N 17 120.845 120.845 119.644 1.201 19832 1822 1 16 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.311 0.014 19832 1823 1 16 . 1 1 17 17 LYS CA C 17 56.682 56.682 57.746 -1.064 19832 1824 1 16 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.685 -0.689 19832 1825 1 16 . 1 1 17 17 LYS H H 17 8.080 8.080 7.863 0.217 19832 1826 1 16 . 1 1 18 18 LYS N N 18 121.661 121.661 117.931 3.730 19832 1827 1 16 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.399 -0.066 19832 1828 1 16 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.493 0.086 19832 1829 1 16 . 1 1 18 18 LYS H H 18 8.231 8.231 7.712 0.519 19832 1830 1 16 . 1 1 19 19 LYS N N 19 122.316 122.316 123.631 -1.315 19832 1831 1 16 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.517 -0.116 19832 1832 1 16 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.422 0.178 19832 1833 1 16 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.049 -0.076 19832 1834 1 16 . 1 1 19 19 LYS H H 19 8.392 8.392 8.401 -0.009 19832 1835 1 16 . 1 1 20 20 THR N N 20 113.974 113.974 122.283 -8.309 19832 1836 1 16 . 1 1 20 20 THR HA H 20 4.405 4.405 4.567 -0.162 19832 1837 1 16 . 1 1 20 20 THR CA C 20 61.680 61.680 60.927 0.753 19832 1838 1 16 . 1 1 20 20 THR CB C 20 69.817 69.817 68.894 0.923 19832 1839 1 16 . 1 1 20 20 THR H H 20 8.085 8.085 8.543 -0.458 19832 1840 1 16 . 1 1 21 21 GLY N N 21 110.706 110.706 110.558 0.148 19832 1841 1 16 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.803 -0.493 19832 1842 1 16 . 1 1 21 21 GLY H H 21 8.360 8.360 7.988 0.372 19832 1843 1 16 . 1 1 22 22 GLY N N 22 107.728 107.728 110.446 -2.718 19832 1844 1 16 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.584 0.591 19832 1845 1 16 . 1 1 22 22 GLY H H 22 8.146 8.146 7.850 0.296 19832 1846 1 16 . 1 1 23 23 TYR N N 23 119.224 119.224 118.948 0.276 19832 1847 1 16 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.684 -0.177 19832 1848 1 16 . 1 1 23 23 TYR H H 23 7.870 7.870 7.683 0.187 19832 1849 1 16 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.395 -0.014 19832 1850 1 16 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.109 -0.662 19832 1851 1 16 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.181 -0.665 19832 1852 1 16 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.992 -0.606 19832 1853 1 16 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.574 0.178 19832 1854 1 16 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.529 -1.041 19832 1855 1 16 . 1 1 25 25 TRP H H 25 6.924 6.924 8.044 -1.120 19832 1856 1 16 . 1 1 26 26 GLU N N 26 119.971 119.971 120.060 -0.089 19832 1857 1 16 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.856 0.597 19832 1858 1 16 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.545 0.100 19832 1859 1 16 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.993 0.812 19832 1860 1 16 . 1 1 26 26 GLU H H 26 7.653 7.653 7.426 0.227 19832 1861 1 16 . 1 1 27 27 ARG N N 27 120.787 120.787 120.442 0.345 19832 1862 1 16 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.113 0.244 19832 1863 1 16 . 1 1 27 27 ARG CA C 27 56.406 56.406 57.889 -1.483 19832 1864 1 16 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.388 0.375 19832 1865 1 16 . 1 1 27 27 ARG H H 27 8.162 8.162 7.413 0.749 19832 1866 1 16 . 1 1 28 28 GLY N N 28 109.282 109.282 105.424 3.858 19832 1867 1 16 . 1 1 28 28 GLY H H 28 8.483 8.483 8.032 0.451 19832 1868 1 16 . 1 1 29 29 LYS N N 29 120.396 120.396 123.024 -2.628 19832 1869 1 16 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.437 -0.034 19832 1870 1 16 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.474 -0.599 19832 1871 1 16 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.642 0.651 19832 1872 1 16 . 1 1 29 29 LYS H H 29 8.112 8.112 8.564 -0.452 19832 1873 1 17 . 1 1 2 2 LYS N N 2 124.386 124.386 124.757 -0.371 19832 1874 1 17 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.554 -0.170 19832 1875 1 17 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.056 -0.097 19832 1876 1 17 . 1 1 2 2 LYS H H 2 9.052 9.052 8.316 0.736 19832 1877 1 17 . 1 1 3 3 THR N N 3 116.039 116.039 119.790 -3.751 19832 1878 1 17 . 1 1 3 3 THR HA H 3 4.216 4.216 4.090 0.126 19832 1879 1 17 . 1 1 3 3 THR CB C 3 68.928 68.928 68.840 0.088 19832 1880 1 17 . 1 1 3 3 THR H H 3 8.478 8.478 8.870 -0.392 19832 1881 1 17 . 1 1 4 4 ILE N N 4 121.132 121.132 118.639 2.493 19832 1882 1 17 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.968 0.142 19832 1883 1 17 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.835 -0.263 19832 1884 1 17 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.835 1.119 19832 1885 1 17 . 1 1 4 4 ILE H H 4 8.556 8.556 7.869 0.687 19832 1886 1 17 . 1 1 5 5 LEU N N 5 119.569 119.569 121.079 -1.510 19832 1887 1 17 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.939 0.247 19832 1888 1 17 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.292 -1.074 19832 1889 1 17 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.089 -0.008 19832 1890 1 17 . 1 1 5 5 LEU H H 5 7.935 7.935 8.442 -0.507 19832 1891 1 17 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.965 0.162 19832 1892 1 17 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.072 -0.361 19832 1893 1 17 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.747 -0.060 19832 1894 1 17 . 1 1 6 6 ARG H H 6 8.008 8.008 7.817 0.191 19832 1895 1 17 . 1 1 7 7 PHE N N 7 118.637 118.637 117.319 1.318 19832 1896 1 17 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.352 0.126 19832 1897 1 17 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.832 0.281 19832 1898 1 17 . 1 1 7 7 PHE H H 7 7.948 7.948 7.800 0.148 19832 1899 1 17 . 1 1 8 8 VAL N N 8 116.441 116.441 121.068 -4.627 19832 1900 1 17 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.740 0.153 19832 1901 1 17 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.242 -0.277 19832 1902 1 17 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.404 0.461 19832 1903 1 17 . 1 1 8 8 VAL H H 8 8.014 8.014 8.088 -0.074 19832 1904 1 17 . 1 1 9 9 ALA N N 9 121.442 121.442 120.638 0.804 19832 1905 1 17 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.153 0.075 19832 1906 1 17 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.903 -0.436 19832 1907 1 17 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.413 0.066 19832 1908 1 17 . 1 1 9 9 ALA H H 9 8.083 8.083 8.546 -0.463 19832 1909 1 17 . 1 1 10 10 GLY N N 10 104.589 104.589 104.602 -0.013 19832 1910 1 17 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.797 -1.134 19832 1911 1 17 . 1 1 10 10 GLY H H 10 8.134 8.134 8.079 0.056 19832 1912 1 17 . 1 1 11 11 TYR N N 11 118.591 118.591 123.525 -4.934 19832 1913 1 17 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.178 0.144 19832 1914 1 17 . 1 1 11 11 TYR H H 11 8.006 8.006 7.855 0.151 19832 1915 1 17 . 1 1 12 12 ASP N N 12 119.339 119.339 117.793 1.546 19832 1916 1 17 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.098 0.511 19832 1917 1 17 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.727 -2.638 19832 1918 1 17 . 1 1 12 12 ASP H H 12 8.414 8.414 7.777 0.637 19832 1919 1 17 . 1 1 13 13 ILE N N 13 119.097 119.097 117.848 1.249 19832 1920 1 17 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.271 -0.277 19832 1921 1 17 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.716 1.431 19832 1922 1 17 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.132 1.352 19832 1923 1 17 . 1 1 13 13 ILE H H 13 8.156 8.156 7.397 0.759 19832 1924 1 17 . 1 1 14 14 ALA N N 14 123.581 123.581 123.395 0.186 19832 1925 1 17 . 1 1 14 14 ALA HA H 14 4.238 4.238 3.978 0.260 19832 1926 1 17 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.016 -1.398 19832 1927 1 17 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.994 0.823 19832 1928 1 17 . 1 1 14 14 ALA H H 14 8.274 8.274 8.041 0.233 19832 1929 1 17 . 1 1 15 15 SER N N 15 112.583 112.583 114.355 -1.772 19832 1930 1 17 . 1 1 15 15 SER HA H 15 4.299 4.299 4.105 0.194 19832 1931 1 17 . 1 1 15 15 SER CA C 15 59.441 59.441 61.511 -2.070 19832 1932 1 17 . 1 1 15 15 SER CB C 15 63.403 63.403 62.969 0.434 19832 1933 1 17 . 1 1 15 15 SER H H 15 8.061 8.061 8.046 0.015 19832 1934 1 17 . 1 1 16 16 HIS N N 16 120.408 120.408 118.341 2.067 19832 1935 1 17 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.643 0.053 19832 1936 1 17 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.582 -1.099 19832 1937 1 17 . 1 1 16 16 HIS H H 16 8.159 8.159 7.724 0.435 19832 1938 1 17 . 1 1 17 17 LYS N N 17 120.845 120.845 119.985 0.860 19832 1939 1 17 . 1 1 17 17 LYS HA H 17 4.325 4.325 3.998 0.327 19832 1940 1 17 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.365 -1.683 19832 1941 1 17 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.844 0.152 19832 1942 1 17 . 1 1 17 17 LYS H H 17 8.080 8.080 7.147 0.933 19832 1943 1 17 . 1 1 18 18 LYS N N 18 121.661 121.661 116.044 5.617 19832 1944 1 17 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.430 -0.097 19832 1945 1 17 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.384 0.195 19832 1946 1 17 . 1 1 18 18 LYS H H 18 8.231 8.231 7.870 0.361 19832 1947 1 17 . 1 1 19 19 LYS N N 19 122.316 122.316 121.014 1.302 19832 1948 1 17 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.582 -0.181 19832 1949 1 17 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.459 0.141 19832 1950 1 17 . 1 1 19 19 LYS CB C 19 32.973 32.973 34.149 -1.176 19832 1951 1 17 . 1 1 19 19 LYS H H 19 8.392 8.392 8.422 -0.030 19832 1952 1 17 . 1 1 20 20 THR N N 20 113.974 113.974 115.218 -1.244 19832 1953 1 17 . 1 1 20 20 THR HA H 20 4.405 4.405 4.581 -0.176 19832 1954 1 17 . 1 1 20 20 THR CA C 20 61.680 61.680 61.052 0.628 19832 1955 1 17 . 1 1 20 20 THR CB C 20 69.817 69.817 69.762 0.055 19832 1956 1 17 . 1 1 20 20 THR H H 20 8.085 8.085 8.379 -0.294 19832 1957 1 17 . 1 1 21 21 GLY N N 21 110.706 110.706 108.473 2.233 19832 1958 1 17 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.620 -0.310 19832 1959 1 17 . 1 1 21 21 GLY H H 21 8.360 8.360 8.250 0.110 19832 1960 1 17 . 1 1 22 22 GLY N N 22 107.728 107.728 110.829 -3.101 19832 1961 1 17 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.495 0.680 19832 1962 1 17 . 1 1 22 22 GLY H H 22 8.146 8.146 7.898 0.248 19832 1963 1 17 . 1 1 23 23 TYR N N 23 119.224 119.224 124.288 -5.064 19832 1964 1 17 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.724 -0.217 19832 1965 1 17 . 1 1 23 23 TYR H H 23 7.870 7.870 7.924 -0.054 19832 1966 1 17 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.430 -0.049 19832 1967 1 17 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.026 -0.579 19832 1968 1 17 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.221 -0.705 19832 1969 1 17 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.950 -0.564 19832 1970 1 17 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.298 0.454 19832 1971 1 17 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.896 -1.408 19832 1972 1 17 . 1 1 25 25 TRP H H 25 6.924 6.924 7.992 -1.068 19832 1973 1 17 . 1 1 26 26 GLU N N 26 119.971 119.971 122.436 -2.465 19832 1974 1 17 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.998 0.455 19832 1975 1 17 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.285 0.360 19832 1976 1 17 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.828 0.977 19832 1977 1 17 . 1 1 26 26 GLU H H 26 7.653 7.653 7.584 0.069 19832 1978 1 17 . 1 1 27 27 ARG N N 27 120.787 120.787 124.211 -3.424 19832 1979 1 17 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.431 -0.074 19832 1980 1 17 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.028 0.378 19832 1981 1 17 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.243 -0.480 19832 1982 1 17 . 1 1 27 27 ARG H H 27 8.162 8.162 7.866 0.296 19832 1983 1 17 . 1 1 28 28 GLY N N 28 109.282 109.282 108.906 0.376 19832 1984 1 17 . 1 1 28 28 GLY H H 28 8.483 8.483 7.945 0.538 19832 1985 1 17 . 1 1 29 29 LYS N N 29 120.396 120.396 122.013 -1.617 19832 1986 1 17 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.297 0.106 19832 1987 1 17 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.584 -0.709 19832 1988 1 17 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.627 0.666 19832 1989 1 17 . 1 1 29 29 LYS H H 29 8.112 8.112 8.372 -0.260 19832 1990 1 18 . 1 1 2 2 LYS N N 2 124.386 124.386 122.692 1.694 19832 1991 1 18 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.401 -0.017 19832 1992 1 18 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.113 -0.154 19832 1993 1 18 . 1 1 2 2 LYS H H 2 9.052 9.052 8.236 0.816 19832 1994 1 18 . 1 1 3 3 THR N N 3 116.039 116.039 116.318 -0.279 19832 1995 1 18 . 1 1 3 3 THR HA H 3 4.216 4.216 4.366 -0.150 19832 1996 1 18 . 1 1 3 3 THR CB C 3 68.928 68.928 68.943 -0.015 19832 1997 1 18 . 1 1 3 3 THR H H 3 8.478 8.478 8.529 -0.051 19832 1998 1 18 . 1 1 4 4 ILE N N 4 121.132 121.132 118.523 2.609 19832 1999 1 18 . 1 1 4 4 ILE HA H 4 4.110 4.110 4.277 -0.167 19832 2000 1 18 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.284 0.288 19832 2001 1 18 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.955 0.999 19832 2002 1 18 . 1 1 4 4 ILE H H 4 8.556 8.556 7.932 0.624 19832 2003 1 18 . 1 1 5 5 LEU N N 5 119.569 119.569 121.364 -1.795 19832 2004 1 18 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.963 0.223 19832 2005 1 18 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.454 -1.236 19832 2006 1 18 . 1 1 5 5 LEU CB C 5 41.080 41.080 40.967 0.113 19832 2007 1 18 . 1 1 5 5 LEU H H 5 7.935 7.935 7.539 0.396 19832 2008 1 18 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.946 0.181 19832 2009 1 18 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.830 -0.119 19832 2010 1 18 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.697 -0.010 19832 2011 1 18 . 1 1 6 6 ARG H H 6 8.008 8.008 8.182 -0.174 19832 2012 1 18 . 1 1 7 7 PHE N N 7 118.637 118.637 117.484 1.153 19832 2013 1 18 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.374 0.104 19832 2014 1 18 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.947 0.166 19832 2015 1 18 . 1 1 7 7 PHE H H 7 7.948 7.948 7.698 0.250 19832 2016 1 18 . 1 1 8 8 VAL N N 8 116.441 116.441 120.973 -4.532 19832 2017 1 18 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.739 0.154 19832 2018 1 18 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.278 -0.313 19832 2019 1 18 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.370 0.495 19832 2020 1 18 . 1 1 8 8 VAL H H 8 8.014 8.014 8.567 -0.553 19832 2021 1 18 . 1 1 9 9 ALA N N 9 121.442 121.442 120.662 0.780 19832 2022 1 18 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.152 0.076 19832 2023 1 18 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.757 -0.290 19832 2024 1 18 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.391 0.088 19832 2025 1 18 . 1 1 9 9 ALA H H 9 8.083 8.083 8.436 -0.353 19832 2026 1 18 . 1 1 10 10 GLY N N 10 104.589 104.589 104.706 -0.117 19832 2027 1 18 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.774 -1.111 19832 2028 1 18 . 1 1 10 10 GLY H H 10 8.134 8.134 8.176 -0.042 19832 2029 1 18 . 1 1 11 11 TYR N N 11 118.591 118.591 123.494 -4.903 19832 2030 1 18 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.202 0.121 19832 2031 1 18 . 1 1 11 11 TYR H H 11 8.006 8.006 7.614 0.392 19832 2032 1 18 . 1 1 12 12 ASP N N 12 119.339 119.339 117.770 1.569 19832 2033 1 18 . 1 1 12 12 ASP HA H 12 4.609 4.609 3.976 0.633 19832 2034 1 18 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.555 -2.466 19832 2035 1 18 . 1 1 12 12 ASP H H 12 8.414 8.414 7.681 0.733 19832 2036 1 18 . 1 1 13 13 ILE N N 13 119.097 119.097 117.293 1.804 19832 2037 1 18 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.822 0.172 19832 2038 1 18 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.757 1.390 19832 2039 1 18 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.062 1.422 19832 2040 1 18 . 1 1 13 13 ILE H H 13 8.156 8.156 7.500 0.656 19832 2041 1 18 . 1 1 14 14 ALA N N 14 123.581 123.581 123.536 0.045 19832 2042 1 18 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.075 0.163 19832 2043 1 18 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.993 -1.375 19832 2044 1 18 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.932 0.885 19832 2045 1 18 . 1 1 14 14 ALA H H 14 8.274 8.274 7.854 0.420 19832 2046 1 18 . 1 1 15 15 SER N N 15 112.583 112.583 113.878 -1.295 19832 2047 1 18 . 1 1 15 15 SER HA H 15 4.299 4.299 4.080 0.219 19832 2048 1 18 . 1 1 15 15 SER CA C 15 59.441 59.441 61.489 -2.048 19832 2049 1 18 . 1 1 15 15 SER CB C 15 63.403 63.403 63.076 0.327 19832 2050 1 18 . 1 1 15 15 SER H H 15 8.061 8.061 7.727 0.334 19832 2051 1 18 . 1 1 16 16 HIS N N 16 120.408 120.408 117.733 2.675 19832 2052 1 18 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.526 0.170 19832 2053 1 18 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.977 -1.494 19832 2054 1 18 . 1 1 16 16 HIS H H 16 8.159 8.159 7.612 0.547 19832 2055 1 18 . 1 1 17 17 LYS N N 17 120.845 120.845 119.218 1.627 19832 2056 1 18 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.121 0.204 19832 2057 1 18 . 1 1 17 17 LYS CA C 17 56.682 56.682 57.477 -0.795 19832 2058 1 18 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.219 -0.223 19832 2059 1 18 . 1 1 17 17 LYS H H 17 8.080 8.080 7.737 0.343 19832 2060 1 18 . 1 1 18 18 LYS N N 18 121.661 121.661 118.203 3.458 19832 2061 1 18 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.059 0.274 19832 2062 1 18 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.876 -0.297 19832 2063 1 18 . 1 1 18 18 LYS H H 18 8.231 8.231 7.932 0.299 19832 2064 1 18 . 1 1 19 19 LYS N N 19 122.316 122.316 122.073 0.243 19832 2065 1 18 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.119 0.282 19832 2066 1 18 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.617 -1.017 19832 2067 1 18 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.255 0.718 19832 2068 1 18 . 1 1 19 19 LYS H H 19 8.392 8.392 8.653 -0.261 19832 2069 1 18 . 1 1 20 20 THR N N 20 113.974 113.974 111.665 2.309 19832 2070 1 18 . 1 1 20 20 THR HA H 20 4.405 4.405 4.522 -0.117 19832 2071 1 18 . 1 1 20 20 THR CA C 20 61.680 61.680 61.697 -0.017 19832 2072 1 18 . 1 1 20 20 THR CB C 20 69.817 69.817 67.222 2.595 19832 2073 1 18 . 1 1 20 20 THR H H 20 8.085 8.085 7.892 0.193 19832 2074 1 18 . 1 1 21 21 GLY N N 21 110.706 110.706 110.850 -0.144 19832 2075 1 18 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.709 -0.399 19832 2076 1 18 . 1 1 21 21 GLY H H 21 8.360 8.360 8.096 0.264 19832 2077 1 18 . 1 1 22 22 GLY N N 22 107.728 107.728 107.591 0.137 19832 2078 1 18 . 1 1 22 22 GLY CA C 22 45.175 45.175 45.190 -0.014 19832 2079 1 18 . 1 1 22 22 GLY H H 22 8.146 8.146 8.221 -0.075 19832 2080 1 18 . 1 1 23 23 TYR N N 23 119.224 119.224 119.945 -0.721 19832 2081 1 18 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.923 -0.416 19832 2082 1 18 . 1 1 23 23 TYR H H 23 7.870 7.870 7.650 0.220 19832 2083 1 18 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.433 -0.052 19832 2084 1 18 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.046 -0.599 19832 2085 1 18 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.277 -0.761 19832 2086 1 18 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.950 -0.564 19832 2087 1 18 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.294 0.459 19832 2088 1 18 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.907 -1.419 19832 2089 1 18 . 1 1 25 25 TRP H H 25 6.924 6.924 7.992 -1.068 19832 2090 1 18 . 1 1 26 26 GLU N N 26 119.971 119.971 121.975 -2.004 19832 2091 1 18 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.040 0.413 19832 2092 1 18 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.278 0.367 19832 2093 1 18 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.159 0.646 19832 2094 1 18 . 1 1 26 26 GLU H H 26 7.653 7.653 7.661 -0.008 19832 2095 1 18 . 1 1 27 27 ARG N N 27 120.787 120.787 123.870 -3.083 19832 2096 1 18 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.361 -0.004 19832 2097 1 18 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.511 -0.105 19832 2098 1 18 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.364 0.399 19832 2099 1 18 . 1 1 27 27 ARG H H 27 8.162 8.162 7.631 0.531 19832 2100 1 18 . 1 1 28 28 GLY N N 28 109.282 109.282 107.155 2.127 19832 2101 1 18 . 1 1 28 28 GLY H H 28 8.483 8.483 7.816 0.667 19832 2102 1 18 . 1 1 29 29 LYS N N 29 120.396 120.396 117.366 3.030 19832 2103 1 18 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.345 0.058 19832 2104 1 18 . 1 1 29 29 LYS CA C 29 55.875 55.875 56.691 -0.816 19832 2105 1 18 . 1 1 29 29 LYS CB C 29 33.293 33.293 33.680 -0.387 19832 2106 1 18 . 1 1 29 29 LYS H H 29 8.112 8.112 8.215 -0.103 19832 2107 1 19 . 1 1 2 2 LYS N N 2 124.386 124.386 122.952 1.434 19832 2108 1 19 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.628 -0.244 19832 2109 1 19 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.569 -0.610 19832 2110 1 19 . 1 1 2 2 LYS H H 2 9.052 9.052 8.361 0.691 19832 2111 1 19 . 1 1 3 3 THR N N 3 116.039 116.039 120.083 -4.044 19832 2112 1 19 . 1 1 3 3 THR HA H 3 4.216 4.216 4.031 0.185 19832 2113 1 19 . 1 1 3 3 THR CB C 3 68.928 68.928 68.840 0.088 19832 2114 1 19 . 1 1 3 3 THR H H 3 8.478 8.478 8.929 -0.451 19832 2115 1 19 . 1 1 4 4 ILE N N 4 121.132 121.132 118.535 2.597 19832 2116 1 19 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.947 0.163 19832 2117 1 19 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.871 -0.299 19832 2118 1 19 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.919 1.035 19832 2119 1 19 . 1 1 4 4 ILE H H 4 8.556 8.556 7.903 0.653 19832 2120 1 19 . 1 1 5 5 LEU N N 5 119.569 119.569 121.062 -1.493 19832 2121 1 19 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.940 0.246 19832 2122 1 19 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.301 -1.083 19832 2123 1 19 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.083 -0.003 19832 2124 1 19 . 1 1 5 5 LEU H H 5 7.935 7.935 8.436 -0.501 19832 2125 1 19 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.961 0.166 19832 2126 1 19 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.045 -0.334 19832 2127 1 19 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.803 -0.116 19832 2128 1 19 . 1 1 6 6 ARG H H 6 8.008 8.008 7.807 0.201 19832 2129 1 19 . 1 1 7 7 PHE N N 7 118.637 118.637 117.098 1.539 19832 2130 1 19 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.364 0.114 19832 2131 1 19 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.843 0.270 19832 2132 1 19 . 1 1 7 7 PHE H H 7 7.948 7.948 7.789 0.159 19832 2133 1 19 . 1 1 8 8 VAL N N 8 116.441 116.441 121.016 -4.575 19832 2134 1 19 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.743 0.150 19832 2135 1 19 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.310 -0.345 19832 2136 1 19 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.780 0.085 19832 2137 1 19 . 1 1 8 8 VAL H H 8 8.014 8.014 8.071 -0.057 19832 2138 1 19 . 1 1 9 9 ALA N N 9 121.442 121.442 120.669 0.773 19832 2139 1 19 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.136 0.092 19832 2140 1 19 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.938 -0.471 19832 2141 1 19 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.195 0.284 19832 2142 1 19 . 1 1 9 9 ALA H H 9 8.083 8.083 8.495 -0.412 19832 2143 1 19 . 1 1 10 10 GLY N N 10 104.589 104.589 105.517 -0.928 19832 2144 1 19 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.984 -1.321 19832 2145 1 19 . 1 1 10 10 GLY H H 10 8.134 8.134 8.036 0.098 19832 2146 1 19 . 1 1 11 11 TYR N N 11 118.591 118.591 123.926 -5.335 19832 2147 1 19 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.181 0.142 19832 2148 1 19 . 1 1 11 11 TYR H H 11 8.006 8.006 7.429 0.577 19832 2149 1 19 . 1 1 12 12 ASP N N 12 119.339 119.339 118.307 1.032 19832 2150 1 19 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.137 0.472 19832 2151 1 19 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.481 -2.392 19832 2152 1 19 . 1 1 12 12 ASP H H 12 8.414 8.414 7.893 0.521 19832 2153 1 19 . 1 1 13 13 ILE N N 13 119.097 119.097 119.039 0.058 19832 2154 1 19 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.307 -0.313 19832 2155 1 19 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.599 1.548 19832 2156 1 19 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.318 1.166 19832 2157 1 19 . 1 1 13 13 ILE H H 13 8.156 8.156 7.542 0.614 19832 2158 1 19 . 1 1 14 14 ALA N N 14 123.581 123.581 122.918 0.663 19832 2159 1 19 . 1 1 14 14 ALA HA H 14 4.238 4.238 3.951 0.287 19832 2160 1 19 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.917 -1.299 19832 2161 1 19 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.991 0.826 19832 2162 1 19 . 1 1 14 14 ALA H H 14 8.274 8.274 8.509 -0.235 19832 2163 1 19 . 1 1 15 15 SER N N 15 112.583 112.583 113.947 -1.364 19832 2164 1 19 . 1 1 15 15 SER HA H 15 4.299 4.299 4.021 0.278 19832 2165 1 19 . 1 1 15 15 SER CA C 15 59.441 59.441 61.991 -2.550 19832 2166 1 19 . 1 1 15 15 SER CB C 15 63.403 63.403 63.190 0.213 19832 2167 1 19 . 1 1 15 15 SER H H 15 8.061 8.061 8.088 -0.027 19832 2168 1 19 . 1 1 16 16 HIS N N 16 120.408 120.408 115.547 4.861 19832 2169 1 19 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.565 0.131 19832 2170 1 19 . 1 1 16 16 HIS CB C 16 28.483 28.483 29.605 -1.122 19832 2171 1 19 . 1 1 16 16 HIS H H 16 8.159 8.159 7.799 0.360 19832 2172 1 19 . 1 1 17 17 LYS N N 17 120.845 120.845 121.178 -0.333 19832 2173 1 19 . 1 1 17 17 LYS HA H 17 4.325 4.325 3.908 0.417 19832 2174 1 19 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.719 -2.038 19832 2175 1 19 . 1 1 17 17 LYS CB C 17 32.996 32.996 32.552 0.444 19832 2176 1 19 . 1 1 17 17 LYS H H 17 8.080 8.080 7.141 0.939 19832 2177 1 19 . 1 1 18 18 LYS N N 18 121.661 121.661 118.442 3.219 19832 2178 1 19 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.355 -0.022 19832 2179 1 19 . 1 1 18 18 LYS CA C 18 56.579 56.579 55.503 1.076 19832 2180 1 19 . 1 1 18 18 LYS H H 18 8.231 8.231 7.812 0.419 19832 2181 1 19 . 1 1 19 19 LYS N N 19 122.316 122.316 122.328 -0.012 19832 2182 1 19 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.406 -0.005 19832 2183 1 19 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.408 0.192 19832 2184 1 19 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.856 0.117 19832 2185 1 19 . 1 1 19 19 LYS H H 19 8.392 8.392 7.894 0.498 19832 2186 1 19 . 1 1 20 20 THR N N 20 113.974 113.974 111.901 2.073 19832 2187 1 19 . 1 1 20 20 THR HA H 20 4.405 4.405 4.430 -0.025 19832 2188 1 19 . 1 1 20 20 THR CA C 20 61.680 61.680 61.683 -0.003 19832 2189 1 19 . 1 1 20 20 THR CB C 20 69.817 69.817 69.626 0.191 19832 2190 1 19 . 1 1 20 20 THR H H 20 8.085 8.085 7.499 0.586 19832 2191 1 19 . 1 1 21 21 GLY N N 21 110.706 110.706 112.724 -2.018 19832 2192 1 19 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.179 0.131 19832 2193 1 19 . 1 1 21 21 GLY H H 21 8.360 8.360 8.656 -0.296 19832 2194 1 19 . 1 1 22 22 GLY N N 22 107.728 107.728 110.092 -2.364 19832 2195 1 19 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.621 0.554 19832 2196 1 19 . 1 1 22 22 GLY H H 22 8.146 8.146 8.048 0.098 19832 2197 1 19 . 1 1 23 23 TYR N N 23 119.224 119.224 123.330 -4.106 19832 2198 1 19 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.793 -0.286 19832 2199 1 19 . 1 1 23 23 TYR H H 23 7.870 7.870 7.955 -0.085 19832 2200 1 19 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.387 -0.006 19832 2201 1 19 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.162 -0.716 19832 2202 1 19 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.161 -0.645 19832 2203 1 19 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.950 -0.564 19832 2204 1 19 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.293 0.459 19832 2205 1 19 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.926 -1.438 19832 2206 1 19 . 1 1 25 25 TRP H H 25 6.924 6.924 7.990 -1.066 19832 2207 1 19 . 1 1 26 26 GLU N N 26 119.971 119.971 121.885 -1.914 19832 2208 1 19 . 1 1 26 26 GLU HA H 26 4.453 4.453 4.013 0.440 19832 2209 1 19 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.560 0.085 19832 2210 1 19 . 1 1 26 26 GLU CB C 26 28.805 28.805 28.201 0.604 19832 2211 1 19 . 1 1 26 26 GLU H H 26 7.653 7.653 7.605 0.048 19832 2212 1 19 . 1 1 27 27 ARG N N 27 120.787 120.787 122.769 -1.982 19832 2213 1 19 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.549 -0.192 19832 2214 1 19 . 1 1 27 27 ARG CA C 27 56.406 56.406 54.541 1.865 19832 2215 1 19 . 1 1 27 27 ARG CB C 27 30.763 30.763 29.901 0.862 19832 2216 1 19 . 1 1 27 27 ARG H H 27 8.162 8.162 7.713 0.449 19832 2217 1 19 . 1 1 28 28 GLY N N 28 109.282 109.282 109.516 -0.234 19832 2218 1 19 . 1 1 28 28 GLY H H 28 8.483 8.483 7.744 0.739 19832 2219 1 19 . 1 1 29 29 LYS N N 29 120.396 120.396 121.851 -1.455 19832 2220 1 19 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.055 0.348 19832 2221 1 19 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.899 -2.024 19832 2222 1 19 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.505 0.788 19832 2223 1 19 . 1 1 29 29 LYS H H 29 8.112 8.112 8.509 -0.397 19832 2224 1 20 . 1 1 2 2 LYS N N 2 124.386 124.386 122.555 1.831 19832 2225 1 20 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.616 -0.232 19832 2226 1 20 . 1 1 2 2 LYS CB C 2 32.959 32.959 34.032 -1.073 19832 2227 1 20 . 1 1 2 2 LYS H H 2 9.052 9.052 8.160 0.892 19832 2228 1 20 . 1 1 3 3 THR N N 3 116.039 116.039 120.212 -4.173 19832 2229 1 20 . 1 1 3 3 THR HA H 3 4.216 4.216 4.126 0.090 19832 2230 1 20 . 1 1 3 3 THR CB C 3 68.928 68.928 68.757 0.172 19832 2231 1 20 . 1 1 3 3 THR H H 3 8.478 8.478 8.903 -0.425 19832 2232 1 20 . 1 1 4 4 ILE N N 4 121.132 121.132 118.573 2.559 19832 2233 1 20 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.972 0.138 19832 2234 1 20 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.812 -0.240 19832 2235 1 20 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.847 1.107 19832 2236 1 20 . 1 1 4 4 ILE H H 4 8.556 8.556 7.854 0.702 19832 2237 1 20 . 1 1 5 5 LEU N N 5 119.569 119.569 121.045 -1.476 19832 2238 1 20 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.942 0.244 19832 2239 1 20 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.305 -1.087 19832 2240 1 20 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.075 0.006 19832 2241 1 20 . 1 1 5 5 LEU H H 5 7.935 7.935 8.422 -0.487 19832 2242 1 20 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.962 0.165 19832 2243 1 20 . 1 1 6 6 ARG CA C 6 58.711 58.711 59.031 -0.320 19832 2244 1 20 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.858 -0.171 19832 2245 1 20 . 1 1 6 6 ARG H H 6 8.008 8.008 7.798 0.210 19832 2246 1 20 . 1 1 7 7 PHE N N 7 118.637 118.637 117.547 1.090 19832 2247 1 20 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.371 0.107 19832 2248 1 20 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.955 0.158 19832 2249 1 20 . 1 1 7 7 PHE H H 7 7.948 7.948 7.782 0.166 19832 2250 1 20 . 1 1 8 8 VAL N N 8 116.441 116.441 120.733 -4.292 19832 2251 1 20 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.676 0.217 19832 2252 1 20 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.576 -0.611 19832 2253 1 20 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.849 0.015 19832 2254 1 20 . 1 1 8 8 VAL H H 8 8.014 8.014 8.099 -0.085 19832 2255 1 20 . 1 1 9 9 ALA N N 9 121.442 121.442 120.731 0.711 19832 2256 1 20 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.118 0.110 19832 2257 1 20 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.813 -0.346 19832 2258 1 20 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.286 0.193 19832 2259 1 20 . 1 1 9 9 ALA H H 9 8.083 8.083 8.497 -0.414 19832 2260 1 20 . 1 1 10 10 GLY N N 10 104.589 104.589 104.361 0.228 19832 2261 1 20 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.685 -1.022 19832 2262 1 20 . 1 1 10 10 GLY H H 10 8.134 8.134 8.023 0.111 19832 2263 1 20 . 1 1 11 11 TYR N N 11 118.591 118.591 123.692 -5.101 19832 2264 1 20 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.176 0.147 19832 2265 1 20 . 1 1 11 11 TYR H H 11 8.006 8.006 7.866 0.140 19832 2266 1 20 . 1 1 12 12 ASP N N 12 119.339 119.339 117.750 1.589 19832 2267 1 20 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.149 0.460 19832 2268 1 20 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.698 -2.609 19832 2269 1 20 . 1 1 12 12 ASP H H 12 8.414 8.414 7.854 0.560 19832 2270 1 20 . 1 1 13 13 ILE N N 13 119.097 119.097 118.814 0.283 19832 2271 1 20 . 1 1 13 13 ILE HA H 13 3.994 3.994 3.908 0.086 19832 2272 1 20 . 1 1 13 13 ILE CA C 13 63.147 63.147 63.670 -0.523 19832 2273 1 20 . 1 1 13 13 ILE CB C 13 38.484 38.484 38.333 0.151 19832 2274 1 20 . 1 1 13 13 ILE H H 13 8.156 8.156 7.390 0.766 19832 2275 1 20 . 1 1 14 14 ALA N N 14 123.581 123.581 123.280 0.301 19832 2276 1 20 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.143 0.095 19832 2277 1 20 . 1 1 14 14 ALA CA C 14 53.618 53.618 55.122 -1.504 19832 2278 1 20 . 1 1 14 14 ALA CB C 14 18.817 18.817 17.937 0.880 19832 2279 1 20 . 1 1 14 14 ALA H H 14 8.274 8.274 8.061 0.213 19832 2280 1 20 . 1 1 15 15 SER N N 15 112.583 112.583 113.243 -0.660 19832 2281 1 20 . 1 1 15 15 SER HA H 15 4.299 4.299 3.982 0.317 19832 2282 1 20 . 1 1 15 15 SER CA C 15 59.441 59.441 61.921 -2.480 19832 2283 1 20 . 1 1 15 15 SER CB C 15 63.403 63.403 62.781 0.622 19832 2284 1 20 . 1 1 15 15 SER H H 15 8.061 8.061 8.036 0.025 19832 2285 1 20 . 1 1 16 16 HIS N N 16 120.408 120.408 117.486 2.922 19832 2286 1 20 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.593 0.103 19832 2287 1 20 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.483 -2.000 19832 2288 1 20 . 1 1 16 16 HIS H H 16 8.159 8.159 7.462 0.697 19832 2289 1 20 . 1 1 17 17 LYS N N 17 120.845 120.845 121.194 -0.349 19832 2290 1 20 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.107 0.218 19832 2291 1 20 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.829 -2.147 19832 2292 1 20 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.023 -0.027 19832 2293 1 20 . 1 1 17 17 LYS H H 17 8.080 8.080 7.882 0.198 19832 2294 1 20 . 1 1 18 18 LYS N N 18 121.661 121.661 118.936 2.725 19832 2295 1 20 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.346 -0.013 19832 2296 1 20 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.113 0.466 19832 2297 1 20 . 1 1 18 18 LYS H H 18 8.231 8.231 7.807 0.424 19832 2298 1 20 . 1 1 19 19 LYS N N 19 122.316 122.316 122.401 -0.085 19832 2299 1 20 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.341 0.060 19832 2300 1 20 . 1 1 19 19 LYS CA C 19 56.600 56.600 57.749 -1.149 19832 2301 1 20 . 1 1 19 19 LYS CB C 19 32.973 32.973 32.912 0.061 19832 2302 1 20 . 1 1 19 19 LYS H H 19 8.392 8.392 8.014 0.378 19832 2303 1 20 . 1 1 20 20 THR N N 20 113.974 113.974 114.113 -0.139 19832 2304 1 20 . 1 1 20 20 THR HA H 20 4.405 4.405 4.480 -0.075 19832 2305 1 20 . 1 1 20 20 THR CA C 20 61.680 61.680 61.401 0.279 19832 2306 1 20 . 1 1 20 20 THR CB C 20 69.817 69.817 69.167 0.650 19832 2307 1 20 . 1 1 20 20 THR H H 20 8.085 8.085 7.974 0.111 19832 2308 1 20 . 1 1 21 21 GLY N N 21 110.706 110.706 110.917 -0.211 19832 2309 1 20 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.517 -0.207 19832 2310 1 20 . 1 1 21 21 GLY H H 21 8.360 8.360 8.332 0.028 19832 2311 1 20 . 1 1 22 22 GLY N N 22 107.728 107.728 111.274 -3.546 19832 2312 1 20 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.693 0.482 19832 2313 1 20 . 1 1 22 22 GLY H H 22 8.146 8.146 7.900 0.246 19832 2314 1 20 . 1 1 23 23 TYR N N 23 119.224 119.224 118.158 1.066 19832 2315 1 20 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.890 -0.383 19832 2316 1 20 . 1 1 23 23 TYR H H 23 7.870 7.870 7.587 0.283 19832 2317 1 20 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.444 -0.063 19832 2318 1 20 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.028 -0.581 19832 2319 1 20 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.337 -0.821 19832 2320 1 20 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.951 -0.565 19832 2321 1 20 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.293 0.459 19832 2322 1 20 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.906 -1.418 19832 2323 1 20 . 1 1 25 25 TRP H H 25 6.924 6.924 7.994 -1.070 19832 2324 1 20 . 1 1 26 26 GLU N N 26 119.971 119.971 122.759 -2.788 19832 2325 1 20 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.995 0.458 19832 2326 1 20 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.275 0.370 19832 2327 1 20 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.896 0.909 19832 2328 1 20 . 1 1 26 26 GLU H H 26 7.653 7.653 7.555 0.098 19832 2329 1 20 . 1 1 27 27 ARG N N 27 120.787 120.787 124.699 -3.912 19832 2330 1 20 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.394 -0.037 19832 2331 1 20 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.143 0.263 19832 2332 1 20 . 1 1 27 27 ARG CB C 27 30.763 30.763 31.880 -1.117 19832 2333 1 20 . 1 1 27 27 ARG H H 27 8.162 8.162 7.768 0.395 19832 2334 1 20 . 1 1 28 28 GLY N N 28 109.282 109.282 106.200 3.082 19832 2335 1 20 . 1 1 28 28 GLY H H 28 8.483 8.483 7.640 0.843 19832 2336 1 20 . 1 1 29 29 LYS N N 29 120.396 120.396 119.510 0.886 19832 2337 1 20 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.304 0.099 19832 2338 1 20 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.086 -1.211 19832 2339 1 20 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.656 0.637 19832 2340 1 20 . 1 1 29 29 LYS H H 29 8.112 8.112 8.209 -0.097 19832 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 25 2.347 0.357 2.368 19832 2 1 1 "Average Difference" HA 32 0.240 -0.065 0.234 19832 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19832 4 1 1 "Average Difference" CA 20 0.884 0.292 0.856 19832 5 1 1 "Average Difference" CB 21 0.940 0.091 0.959 19832 6 1 1 "Average Difference" HN 27 0.503 -0.189 0.475 19832 7 1 2 "Average Difference" N 25 2.504 0.281 2.539 19832 8 1 2 "Average Difference" HA 32 0.211 -0.033 0.212 19832 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19832 10 1 2 "Average Difference" CA 20 0.802 0.283 0.770 19832 11 1 2 "Average Difference" CB 21 0.941 0.104 0.958 19832 12 1 2 "Average Difference" HN 27 0.469 -0.132 0.459 19832 13 1 3 "Average Difference" N 25 2.718 0.544 2.718 19832 14 1 3 "Average Difference" HA 32 0.242 -0.072 0.235 19832 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19832 16 1 3 "Average Difference" CA 20 0.909 0.235 0.901 19832 17 1 3 "Average Difference" CB 21 1.074 -0.001 1.101 19832 18 1 3 "Average Difference" HN 27 0.398 -0.117 0.387 19832 19 1 4 "Average Difference" N 25 2.186 0.007 2.232 19832 20 1 4 "Average Difference" HA 32 0.231 -0.079 0.220 19832 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19832 22 1 4 "Average Difference" CA 20 0.859 0.544 0.682 19832 23 1 4 "Average Difference" CB 21 0.972 0.131 0.987 19832 24 1 4 "Average Difference" HN 27 0.457 -0.103 0.454 19832 25 1 5 "Average Difference" N 25 2.477 0.064 2.527 19832 26 1 5 "Average Difference" HA 32 0.258 -0.040 0.259 19832 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19832 28 1 5 "Average Difference" CA 20 1.011 0.412 0.947 19832 29 1 5 "Average Difference" CB 21 1.015 0.003 1.040 19832 30 1 5 "Average Difference" HN 27 0.491 -0.120 0.486 19832 31 1 6 "Average Difference" N 25 2.732 0.449 2.750 19832 32 1 6 "Average Difference" HA 32 0.230 -0.112 0.204 19832 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19832 34 1 6 "Average Difference" CA 20 0.928 0.322 0.894 19832 35 1 6 "Average Difference" CB 21 0.898 0.009 0.920 19832 36 1 6 "Average Difference" HN 27 0.417 -0.184 0.382 19832 37 1 7 "Average Difference" N 25 2.515 0.677 2.472 19832 38 1 7 "Average Difference" HA 32 0.263 -0.141 0.226 19832 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19832 40 1 7 "Average Difference" CA 20 0.988 0.392 0.930 19832 41 1 7 "Average Difference" CB 21 0.911 -0.035 0.933 19832 42 1 7 "Average Difference" HN 27 0.447 -0.156 0.427 19832 43 1 8 "Average Difference" N 25 2.596 0.299 2.632 19832 44 1 8 "Average Difference" HA 32 0.230 -0.094 0.214 19832 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19832 46 1 8 "Average Difference" CA 20 0.986 0.428 0.911 19832 47 1 8 "Average Difference" CB 21 0.949 0.010 0.972 19832 48 1 8 "Average Difference" HN 27 0.501 -0.181 0.476 19832 49 1 9 "Average Difference" N 25 2.455 0.958 2.307 19832 50 1 9 "Average Difference" HA 32 0.234 -0.046 0.233 19832 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19832 52 1 9 "Average Difference" CA 20 1.214 0.527 1.121 19832 53 1 9 "Average Difference" CB 21 0.935 0.139 0.948 19832 54 1 9 "Average Difference" HN 27 0.490 -0.134 0.480 19832 55 1 10 "Average Difference" N 25 2.760 0.677 2.731 19832 56 1 10 "Average Difference" HA 32 0.262 -0.091 0.249 19832 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19832 58 1 10 "Average Difference" CA 20 0.973 0.228 0.970 19832 59 1 10 "Average Difference" CB 21 0.930 0.007 0.953 19832 60 1 10 "Average Difference" HN 27 0.507 -0.213 0.469 19832 61 1 11 "Average Difference" N 25 2.453 0.282 2.487 19832 62 1 11 "Average Difference" HA 32 0.223 -0.051 0.220 19832 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19832 64 1 11 "Average Difference" CA 20 0.985 0.281 0.969 19832 65 1 11 "Average Difference" CB 21 0.987 0.036 1.011 19832 66 1 11 "Average Difference" HN 27 0.454 -0.134 0.442 19832 67 1 12 "Average Difference" N 25 2.492 0.739 2.429 19832 68 1 12 "Average Difference" HA 32 0.206 -0.026 0.208 19832 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19832 70 1 12 "Average Difference" CA 20 0.987 0.421 0.916 19832 71 1 12 "Average Difference" CB 21 0.983 0.207 0.985 19832 72 1 12 "Average Difference" HN 27 0.426 -0.114 0.419 19832 73 1 13 "Average Difference" N 25 2.788 0.683 2.759 19832 74 1 13 "Average Difference" HA 32 0.231 -0.065 0.226 19832 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19832 76 1 13 "Average Difference" CA 20 0.981 0.391 0.923 19832 77 1 13 "Average Difference" CB 21 0.842 0.100 0.857 19832 78 1 13 "Average Difference" HN 27 0.437 -0.104 0.432 19832 79 1 14 "Average Difference" N 25 2.567 0.365 2.593 19832 80 1 14 "Average Difference" HA 32 0.221 -0.036 0.222 19832 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19832 82 1 14 "Average Difference" CA 20 1.037 0.381 0.990 19832 83 1 14 "Average Difference" CB 21 0.982 0.015 1.006 19832 84 1 14 "Average Difference" HN 27 0.477 -0.177 0.451 19832 85 1 15 "Average Difference" N 25 2.584 0.505 2.586 19832 86 1 15 "Average Difference" HA 32 0.234 -0.094 0.218 19832 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19832 88 1 15 "Average Difference" CA 20 0.914 0.311 0.882 19832 89 1 15 "Average Difference" CB 21 0.933 0.095 0.951 19832 90 1 15 "Average Difference" HN 27 0.510 -0.180 0.487 19832 91 1 16 "Average Difference" N 25 2.850 0.360 2.886 19832 92 1 16 "Average Difference" HA 32 0.251 -0.093 0.237 19832 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19832 94 1 16 "Average Difference" CA 20 0.885 0.355 0.831 19832 95 1 16 "Average Difference" CB 21 0.996 0.086 1.017 19832 96 1 16 "Average Difference" HN 27 0.501 -0.151 0.487 19832 97 1 17 "Average Difference" N 25 2.673 0.554 2.669 19832 98 1 17 "Average Difference" HA 32 0.240 -0.054 0.238 19832 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19832 100 1 17 "Average Difference" CA 20 0.904 0.301 0.875 19832 101 1 17 "Average Difference" CB 21 0.925 0.057 0.946 19832 102 1 17 "Average Difference" HN 27 0.460 -0.128 0.450 19832 103 1 18 "Average Difference" N 25 2.208 -0.255 2.238 19832 104 1 18 "Average Difference" HA 32 0.228 -0.046 0.227 19832 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19832 106 1 18 "Average Difference" CA 20 0.847 0.402 0.765 19832 107 1 18 "Average Difference" CB 21 1.050 -0.092 1.072 19832 108 1 18 "Average Difference" HN 27 0.462 -0.185 0.431 19832 109 1 19 "Average Difference" N 25 2.519 0.556 2.508 19832 110 1 19 "Average Difference" HA 32 0.259 -0.081 0.250 19832 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19832 112 1 19 "Average Difference" CA 20 1.184 0.329 1.167 19832 113 1 19 "Average Difference" CB 21 0.849 -0.031 0.870 19832 114 1 19 "Average Difference" HN 27 0.493 -0.153 0.478 19832 115 1 20 "Average Difference" N 25 2.384 0.298 2.414 19832 116 1 20 "Average Difference" HA 32 0.238 -0.088 0.225 19832 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19832 118 1 20 "Average Difference" CA 20 1.007 0.556 0.862 19832 119 1 20 "Average Difference" CB 21 0.978 0.175 0.986 19832 120 1 20 "Average Difference" HN 27 0.470 -0.182 0.442 19832 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 19832 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 124.386 124.386 123.519 0.867 19832 2 1 . 1 1 2 2 LYS HA H 2 4.384 4.384 4.525 -0.141 19832 3 1 . 1 1 2 2 LYS CB C 2 32.959 32.959 33.365 -0.406 19832 4 1 . 1 1 2 2 LYS H H 2 9.052 9.052 8.399 0.653 19832 5 1 . 1 1 3 3 THR N N 3 116.039 116.039 119.721 -3.682 19832 6 1 . 1 1 3 3 THR HA H 3 4.216 4.216 4.083 0.133 19832 7 1 . 1 1 3 3 THR CB C 3 68.928 68.928 68.789 0.139 19832 8 1 . 1 1 3 3 THR H H 3 8.478 8.478 8.828 -0.350 19832 9 1 . 1 1 4 4 ILE N N 4 121.132 121.132 118.427 2.705 19832 10 1 . 1 1 4 4 ILE HA H 4 4.110 4.110 3.970 0.140 19832 11 1 . 1 1 4 4 ILE CA C 4 63.572 63.572 63.823 -0.251 19832 12 1 . 1 1 4 4 ILE CB C 4 37.954 37.954 36.905 1.049 19832 13 1 . 1 1 4 4 ILE H H 4 8.556 8.556 7.873 0.683 19832 14 1 . 1 1 5 5 LEU N N 5 119.569 119.569 121.078 -1.509 19832 15 1 . 1 1 5 5 LEU HA H 5 4.186 4.186 3.944 0.242 19832 16 1 . 1 1 5 5 LEU CA C 5 57.218 57.218 58.303 -1.085 19832 17 1 . 1 1 5 5 LEU CB C 5 41.080 41.080 41.071 0.009 19832 18 1 . 1 1 5 5 LEU H H 5 7.935 7.935 8.382 -0.447 19832 19 1 . 1 1 6 6 ARG HA H 6 4.127 4.127 3.959 0.168 19832 20 1 . 1 1 6 6 ARG CA C 6 58.711 58.711 58.978 -0.267 19832 21 1 . 1 1 6 6 ARG CB C 6 29.687 29.687 29.788 -0.101 19832 22 1 . 1 1 6 6 ARG H H 6 8.008 8.008 7.824 0.184 19832 23 1 . 1 1 7 7 PHE N N 7 118.637 118.637 117.413 1.224 19832 24 1 . 1 1 7 7 PHE HA H 7 4.478 4.478 4.373 0.105 19832 25 1 . 1 1 7 7 PHE CB C 7 39.113 39.113 38.868 0.245 19832 26 1 . 1 1 7 7 PHE H H 7 7.948 7.948 7.780 0.168 19832 27 1 . 1 1 8 8 VAL N N 8 116.441 116.441 120.925 -4.484 19832 28 1 . 1 1 8 8 VAL HA H 8 3.893 3.893 3.715 0.178 19832 29 1 . 1 1 8 8 VAL CA C 8 64.965 64.965 65.424 -0.459 19832 30 1 . 1 1 8 8 VAL CB C 8 31.865 31.865 31.685 0.180 19832 31 1 . 1 1 8 8 VAL H H 8 8.014 8.014 8.115 -0.101 19832 32 1 . 1 1 9 9 ALA N N 9 121.442 121.442 120.650 0.792 19832 33 1 . 1 1 9 9 ALA HA H 9 4.228 4.228 4.120 0.108 19832 34 1 . 1 1 9 9 ALA CA C 9 54.467 54.467 54.871 -0.404 19832 35 1 . 1 1 9 9 ALA CB C 9 18.479 18.479 18.271 0.208 19832 36 1 . 1 1 9 9 ALA H H 9 8.083 8.083 8.509 -0.426 19832 37 1 . 1 1 10 10 GLY N N 10 104.589 104.589 105.234 -0.645 19832 38 1 . 1 1 10 10 GLY CA C 10 44.663 44.663 45.876 -1.213 19832 39 1 . 1 1 10 10 GLY H H 10 8.134 8.134 8.014 0.120 19832 40 1 . 1 1 11 11 TYR N N 11 118.591 118.591 123.567 -4.976 19832 41 1 . 1 1 11 11 TYR HA H 11 4.323 4.323 4.149 0.174 19832 42 1 . 1 1 11 11 TYR H H 11 8.006 8.006 7.548 0.458 19832 43 1 . 1 1 12 12 ASP N N 12 119.339 119.339 117.872 1.467 19832 44 1 . 1 1 12 12 ASP HA H 12 4.609 4.609 4.076 0.533 19832 45 1 . 1 1 12 12 ASP CB C 12 38.089 38.089 40.685 -2.596 19832 46 1 . 1 1 12 12 ASP H H 12 8.414 8.414 7.824 0.590 19832 47 1 . 1 1 13 13 ILE N N 13 119.097 119.097 118.376 0.721 19832 48 1 . 1 1 13 13 ILE HA H 13 3.994 3.994 4.006 -0.012 19832 49 1 . 1 1 13 13 ILE CA C 13 63.147 63.147 61.646 1.501 19832 50 1 . 1 1 13 13 ILE CB C 13 38.484 38.484 37.385 1.099 19832 51 1 . 1 1 13 13 ILE H H 13 8.156 8.156 7.459 0.697 19832 52 1 . 1 1 14 14 ALA N N 14 123.581 123.581 123.188 0.393 19832 53 1 . 1 1 14 14 ALA HA H 14 4.238 4.238 4.076 0.162 19832 54 1 . 1 1 14 14 ALA CA C 14 53.618 53.618 54.957 -1.339 19832 55 1 . 1 1 14 14 ALA CB C 14 18.817 18.817 18.092 0.725 19832 56 1 . 1 1 14 14 ALA H H 14 8.274 8.274 8.264 0.010 19832 57 1 . 1 1 15 15 SER N N 15 112.583 112.583 113.602 -1.019 19832 58 1 . 1 1 15 15 SER HA H 15 4.299 4.299 4.074 0.225 19832 59 1 . 1 1 15 15 SER CA C 15 59.441 59.441 61.365 -1.924 19832 60 1 . 1 1 15 15 SER CB C 15 63.403 63.403 62.989 0.414 19832 61 1 . 1 1 15 15 SER H H 15 8.061 8.061 7.916 0.145 19832 62 1 . 1 1 16 16 HIS N N 16 120.408 120.408 117.234 3.175 19832 63 1 . 1 1 16 16 HIS HA H 16 4.696 4.696 4.610 0.086 19832 64 1 . 1 1 16 16 HIS CB C 16 28.483 28.483 30.181 -1.698 19832 65 1 . 1 1 16 16 HIS H H 16 8.159 8.159 7.583 0.576 19832 66 1 . 1 1 17 17 LYS N N 17 120.845 120.845 120.472 0.373 19832 67 1 . 1 1 17 17 LYS HA H 17 4.325 4.325 4.132 0.193 19832 68 1 . 1 1 17 17 LYS CA C 17 56.682 56.682 58.282 -1.600 19832 69 1 . 1 1 17 17 LYS CB C 17 32.996 32.996 33.132 -0.136 19832 70 1 . 1 1 17 17 LYS H H 17 8.080 8.080 7.641 0.439 19832 71 1 . 1 1 18 18 LYS N N 18 121.661 121.661 117.756 3.905 19832 72 1 . 1 1 18 18 LYS HA H 18 4.333 4.333 4.394 -0.061 19832 73 1 . 1 1 18 18 LYS CA C 18 56.579 56.579 56.048 0.531 19832 74 1 . 1 1 18 18 LYS H H 18 8.231 8.231 7.872 0.359 19832 75 1 . 1 1 19 19 LYS N N 19 122.316 122.316 122.942 -0.626 19832 76 1 . 1 1 19 19 LYS HA H 19 4.401 4.401 4.367 0.034 19832 77 1 . 1 1 19 19 LYS CA C 19 56.600 56.600 56.999 -0.399 19832 78 1 . 1 1 19 19 LYS CB C 19 32.973 32.973 33.074 -0.101 19832 79 1 . 1 1 19 19 LYS H H 19 8.392 8.392 8.495 -0.103 19832 80 1 . 1 1 20 20 THR N N 20 113.974 113.974 113.920 0.054 19832 81 1 . 1 1 20 20 THR HA H 20 4.405 4.405 4.440 -0.035 19832 82 1 . 1 1 20 20 THR CA C 20 61.680 61.680 61.598 0.082 19832 83 1 . 1 1 20 20 THR CB C 20 69.817 69.817 69.033 0.784 19832 84 1 . 1 1 20 20 THR H H 20 8.085 8.085 7.832 0.253 19832 85 1 . 1 1 21 21 GLY N N 21 110.706 110.706 111.548 -0.842 19832 86 1 . 1 1 21 21 GLY CA C 21 45.310 45.310 45.273 0.037 19832 87 1 . 1 1 21 21 GLY H H 21 8.360 8.360 8.314 0.046 19832 88 1 . 1 1 22 22 GLY N N 22 107.728 107.728 109.598 -1.870 19832 89 1 . 1 1 22 22 GLY CA C 22 45.175 45.175 44.846 0.329 19832 90 1 . 1 1 22 22 GLY H H 22 8.146 8.146 7.843 0.303 19832 91 1 . 1 1 23 23 TYR N N 23 119.224 119.224 121.455 -2.231 19832 92 1 . 1 1 23 23 TYR HA H 23 4.507 4.507 4.860 -0.353 19832 93 1 . 1 1 23 23 TYR H H 23 7.870 7.870 7.793 0.077 19832 94 1 . 1 1 24 24 PRO HA H 24 4.381 4.381 4.415 -0.034 19832 95 1 . 1 1 24 24 PRO CA C 24 64.447 64.447 65.030 -0.583 19832 96 1 . 1 1 24 24 PRO CB C 24 31.516 31.516 32.238 -0.722 19832 97 1 . 1 1 25 25 TRP HA H 25 4.386 4.386 4.922 -0.536 19832 98 1 . 1 1 25 25 TRP CA C 25 57.752 57.752 57.299 0.453 19832 99 1 . 1 1 25 25 TRP CB C 25 28.488 28.488 29.866 -1.378 19832 100 1 . 1 1 25 25 TRP H H 25 6.924 6.924 7.961 -1.037 19832 101 1 . 1 1 26 26 GLU N N 26 119.971 119.971 122.168 -2.197 19832 102 1 . 1 1 26 26 GLU HA H 26 4.453 4.453 3.983 0.470 19832 103 1 . 1 1 26 26 GLU CA C 26 55.645 55.645 55.318 0.327 19832 104 1 . 1 1 26 26 GLU CB C 26 28.805 28.805 27.965 0.840 19832 105 1 . 1 1 26 26 GLU H H 26 7.653 7.653 7.556 0.097 19832 106 1 . 1 1 27 27 ARG N N 27 120.787 120.787 123.594 -2.807 19832 107 1 . 1 1 27 27 ARG HA H 27 4.357 4.357 4.344 0.013 19832 108 1 . 1 1 27 27 ARG CA C 27 56.406 56.406 56.394 0.012 19832 109 1 . 1 1 27 27 ARG CB C 27 30.763 30.763 30.881 -0.118 19832 110 1 . 1 1 27 27 ARG H H 27 8.162 8.162 7.777 0.385 19832 111 1 . 1 1 28 28 GLY N N 28 109.282 109.282 108.699 0.583 19832 112 1 . 1 1 28 28 GLY H H 28 8.483 8.483 7.897 0.586 19832 113 1 . 1 1 29 29 LYS N N 29 120.396 120.396 120.264 0.132 19832 114 1 . 1 1 29 29 LYS HA H 29 4.403 4.403 4.312 0.091 19832 115 1 . 1 1 29 29 LYS CA C 29 55.875 55.875 57.016 -1.141 19832 116 1 . 1 1 29 29 LYS CB C 29 33.293 33.293 32.888 0.405 19832 117 1 . 1 1 29 29 LYS H H 29 8.112 8.112 8.380 -0.268 19832 stop_ save_