data_18806 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18806 _Entry.PDB_ID 2M0D 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 18806 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.509 -0.362 18806 2 1 1 . 1 1 3 3 PRO C C 3 176.083 176.083 176.235 -0.152 18806 3 1 1 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.532 0.883 18806 4 1 1 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.162 -0.285 18806 5 1 1 . 1 1 4 4 TYR N N 4 117.838 117.838 123.972 -6.134 18806 6 1 1 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.579 -0.119 18806 7 1 1 . 1 1 4 4 TYR C C 4 174.569 174.569 175.669 -1.100 18806 8 1 1 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.213 -0.443 18806 9 1 1 . 1 1 4 4 TYR CB C 4 38.430 38.430 36.329 2.101 18806 10 1 1 . 1 1 5 5 GLN N N 5 123.036 123.036 119.476 3.560 18806 11 1 1 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.083 -0.206 18806 12 1 1 . 1 1 5 5 GLN C C 5 175.122 175.122 175.437 -0.315 18806 13 1 1 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.197 0.361 18806 14 1 1 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.503 1.089 18806 15 1 1 . 1 1 6 6 CYS N N 6 125.821 125.821 122.464 3.357 18806 16 1 1 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.754 -0.477 18806 17 1 1 . 1 1 6 6 CYS C C 6 176.578 176.578 175.531 1.047 18806 18 1 1 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.385 0.860 18806 19 1 1 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.317 0.961 18806 20 1 1 . 1 1 7 7 ASP N N 7 129.841 129.841 127.880 1.961 18806 21 1 1 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.378 -0.162 18806 22 1 1 . 1 1 7 7 ASP C C 7 175.676 175.676 176.151 -0.475 18806 23 1 1 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.745 -0.395 18806 24 1 1 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.768 -0.025 18806 25 1 1 . 1 1 8 8 TYR N N 8 119.023 119.023 116.306 2.717 18806 26 1 1 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.700 -0.460 18806 27 1 1 . 1 1 8 8 TYR C C 8 176.440 176.440 176.868 -0.428 18806 28 1 1 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.537 1.009 18806 29 1 1 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.671 -0.611 18806 30 1 1 . 1 1 9 9 CYS N N 9 115.815 115.815 118.104 -2.289 18806 31 1 1 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.806 0.232 18806 32 1 1 . 1 1 9 9 CYS C C 9 175.815 175.815 176.305 -0.490 18806 33 1 1 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.098 -1.788 18806 34 1 1 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.369 2.904 18806 35 1 1 . 1 1 10 10 GLY N N 10 111.402 111.402 109.004 2.398 18806 36 1 1 . 1 1 10 10 GLY C C 10 173.932 173.932 173.435 0.497 18806 37 1 1 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.549 0.490 18806 38 1 1 . 1 1 11 11 ARG N N 11 122.427 122.427 121.090 1.337 18806 39 1 1 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.262 -0.334 18806 40 1 1 . 1 1 11 11 ARG C C 11 174.220 174.220 174.800 -0.580 18806 41 1 1 . 1 1 11 11 ARG CA C 11 57.602 57.602 53.713 3.889 18806 42 1 1 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.982 0.266 18806 43 1 1 . 1 1 12 12 SER N N 12 115.605 115.605 120.881 -5.276 18806 44 1 1 . 1 1 12 12 SER HA H 12 4.896 4.896 4.523 0.373 18806 45 1 1 . 1 1 12 12 SER C C 12 172.775 172.775 173.864 -1.089 18806 46 1 1 . 1 1 12 12 SER CA C 12 57.311 57.311 57.130 0.181 18806 47 1 1 . 1 1 12 12 SER CB C 12 65.516 65.516 63.275 2.241 18806 48 1 1 . 1 1 13 13 PHE N N 13 118.534 118.534 125.564 -7.030 18806 49 1 1 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.623 -0.032 18806 50 1 1 . 1 1 13 13 PHE C C 13 175.330 175.330 176.292 -0.962 18806 51 1 1 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.347 0.022 18806 52 1 1 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.327 3.116 18806 53 1 1 . 1 1 14 14 SER N N 14 114.545 114.545 117.159 -2.614 18806 54 1 1 . 1 1 14 14 SER HA H 14 4.491 4.491 4.570 -0.079 18806 55 1 1 . 1 1 14 14 SER C C 14 173.113 173.113 173.761 -0.648 18806 56 1 1 . 1 1 14 14 SER CA C 14 59.545 59.545 59.728 -0.183 18806 57 1 1 . 1 1 14 14 SER CB C 14 64.037 64.037 63.784 0.253 18806 58 1 1 . 1 1 15 15 ASP N N 15 117.860 117.860 120.555 -2.695 18806 59 1 1 . 1 1 15 15 ASP HA H 15 4.704 4.704 4.895 -0.191 18806 60 1 1 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.131 0.566 18806 61 1 1 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.583 -1.239 18806 62 1 1 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.053 -0.497 18806 63 1 1 . 1 1 16 16 PRO C C 16 178.801 178.801 177.125 1.676 18806 64 1 1 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.116 0.261 18806 65 1 1 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.699 -0.131 18806 66 1 1 . 1 1 17 17 THR N N 17 117.621 117.621 113.466 4.155 18806 67 1 1 . 1 1 17 17 THR HA H 17 3.759 3.759 3.964 -0.205 18806 68 1 1 . 1 1 17 17 THR C C 17 176.424 176.424 176.140 0.284 18806 69 1 1 . 1 1 17 17 THR CA C 17 66.554 66.554 66.374 0.180 18806 70 1 1 . 1 1 17 17 THR CB C 17 67.664 67.664 68.756 -1.092 18806 71 1 1 . 1 1 18 18 SER N N 18 119.883 119.883 116.907 2.976 18806 72 1 1 . 1 1 18 18 SER HA H 18 3.871 3.871 4.224 -0.353 18806 73 1 1 . 1 1 18 18 SER C C 18 177.038 177.038 176.349 0.689 18806 74 1 1 . 1 1 18 18 SER CA C 18 61.906 61.906 61.768 0.138 18806 75 1 1 . 1 1 18 18 SER CB C 18 61.877 61.877 62.852 -0.975 18806 76 1 1 . 1 1 19 19 LYS N N 19 121.563 121.563 121.507 0.056 18806 77 1 1 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.164 -0.551 18806 78 1 1 . 1 1 19 19 LYS C C 19 176.639 176.639 177.570 -0.931 18806 79 1 1 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.029 1.458 18806 80 1 1 . 1 1 19 19 LYS CB C 19 31.586 31.586 31.750 -0.164 18806 81 1 1 . 1 1 20 20 MET N N 20 118.908 118.908 119.784 -0.876 18806 82 1 1 . 1 1 20 20 MET HA H 20 3.927 3.927 4.289 -0.362 18806 83 1 1 . 1 1 20 20 MET C C 20 178.910 178.910 177.937 0.973 18806 84 1 1 . 1 1 20 20 MET CA C 20 58.719 58.719 56.982 1.737 18806 85 1 1 . 1 1 20 20 MET CB C 20 31.756 31.756 32.567 -0.811 18806 86 1 1 . 1 1 21 21 ARG N N 21 118.164 118.164 119.590 -1.426 18806 87 1 1 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.147 -0.242 18806 88 1 1 . 1 1 21 21 ARG C C 21 179.107 179.107 178.923 0.184 18806 89 1 1 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.228 -0.421 18806 90 1 1 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.277 0.824 18806 91 1 1 . 1 1 22 22 HIS N N 22 117.794 117.794 118.438 -0.644 18806 92 1 1 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.129 0.038 18806 93 1 1 . 1 1 22 22 HIS C C 22 178.014 178.014 177.095 0.919 18806 94 1 1 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.354 -0.442 18806 95 1 1 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.524 -1.603 18806 96 1 1 . 1 1 23 23 LEU N N 23 122.319 122.319 117.207 5.112 18806 97 1 1 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.257 -0.473 18806 98 1 1 . 1 1 23 23 LEU C C 23 179.021 179.021 178.287 0.734 18806 99 1 1 . 1 1 23 23 LEU CA C 23 58.592 58.592 56.950 1.641 18806 100 1 1 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.765 -0.107 18806 101 1 1 . 1 1 24 24 GLU N N 24 116.297 116.297 117.373 -1.076 18806 102 1 1 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.266 -0.274 18806 103 1 1 . 1 1 24 24 GLU C C 24 178.251 178.251 179.074 -0.823 18806 104 1 1 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.672 -0.343 18806 105 1 1 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.914 -0.497 18806 106 1 1 . 1 1 25 25 THR N N 25 108.890 108.890 116.132 -7.242 18806 107 1 1 . 1 1 25 25 THR HA H 25 4.010 4.010 4.323 -0.313 18806 108 1 1 . 1 1 25 25 THR C C 25 175.170 175.170 175.185 -0.015 18806 109 1 1 . 1 1 25 25 THR CA C 25 63.499 63.499 64.619 -1.120 18806 110 1 1 . 1 1 25 25 THR CB C 25 69.177 69.177 68.353 0.824 18806 111 1 1 . 1 1 26 26 HIS N N 26 118.044 118.044 120.526 -2.482 18806 112 1 1 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.223 0.244 18806 113 1 1 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.666 -2.405 18806 114 1 1 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.534 -0.892 18806 115 1 2 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.515 -0.368 18806 116 1 2 . 1 1 3 3 PRO C C 3 176.083 176.083 176.003 0.080 18806 117 1 2 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.014 1.401 18806 118 1 2 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.750 -0.873 18806 119 1 2 . 1 1 4 4 TYR N N 4 117.838 117.838 120.686 -2.848 18806 120 1 2 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.713 -0.253 18806 121 1 2 . 1 1 4 4 TYR C C 4 174.569 174.569 175.644 -1.075 18806 122 1 2 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.810 -0.040 18806 123 1 2 . 1 1 4 4 TYR CB C 4 38.430 38.430 37.071 1.359 18806 124 1 2 . 1 1 5 5 GLN N N 5 123.036 123.036 121.216 1.820 18806 125 1 2 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.937 -0.060 18806 126 1 2 . 1 1 5 5 GLN C C 5 175.122 175.122 175.187 -0.065 18806 127 1 2 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.792 -0.234 18806 128 1 2 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.039 1.553 18806 129 1 2 . 1 1 6 6 CYS N N 6 125.821 125.821 121.962 3.859 18806 130 1 2 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.658 -0.381 18806 131 1 2 . 1 1 6 6 CYS C C 6 176.578 176.578 175.754 0.824 18806 132 1 2 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.896 0.349 18806 133 1 2 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.972 1.306 18806 134 1 2 . 1 1 7 7 ASP N N 7 129.841 129.841 129.555 0.286 18806 135 1 2 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.362 -0.146 18806 136 1 2 . 1 1 7 7 ASP C C 7 175.676 175.676 175.778 -0.102 18806 137 1 2 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.601 -0.251 18806 138 1 2 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.437 0.306 18806 139 1 2 . 1 1 8 8 TYR N N 8 119.023 119.023 115.303 3.720 18806 140 1 2 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.677 -0.437 18806 141 1 2 . 1 1 8 8 TYR C C 8 176.440 176.440 175.849 0.591 18806 142 1 2 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.893 1.653 18806 143 1 2 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.167 -0.107 18806 144 1 2 . 1 1 9 9 CYS N N 9 115.815 115.815 117.010 -1.195 18806 145 1 2 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.837 0.201 18806 146 1 2 . 1 1 9 9 CYS C C 9 175.815 175.815 176.172 -0.357 18806 147 1 2 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.931 -1.621 18806 148 1 2 . 1 1 9 9 CYS CB C 9 32.273 32.273 31.078 1.196 18806 149 1 2 . 1 1 10 10 GLY N N 10 111.402 111.402 109.903 1.499 18806 150 1 2 . 1 1 10 10 GLY C C 10 173.932 173.932 173.480 0.452 18806 151 1 2 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.453 0.586 18806 152 1 2 . 1 1 11 11 ARG N N 11 122.427 122.427 121.104 1.323 18806 153 1 2 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.223 -0.295 18806 154 1 2 . 1 1 11 11 ARG C C 11 174.220 174.220 175.183 -0.963 18806 155 1 2 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.559 2.042 18806 156 1 2 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.804 0.444 18806 157 1 2 . 1 1 12 12 SER N N 12 115.605 115.605 120.540 -4.935 18806 158 1 2 . 1 1 12 12 SER HA H 12 4.896 4.896 4.530 0.366 18806 159 1 2 . 1 1 12 12 SER C C 12 172.775 172.775 173.465 -0.690 18806 160 1 2 . 1 1 12 12 SER CA C 12 57.311 57.311 57.688 -0.377 18806 161 1 2 . 1 1 12 12 SER CB C 12 65.516 65.516 63.230 2.286 18806 162 1 2 . 1 1 13 13 PHE N N 13 118.534 118.534 125.511 -6.977 18806 163 1 2 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.679 -0.088 18806 164 1 2 . 1 1 13 13 PHE C C 13 175.330 175.330 176.418 -1.088 18806 165 1 2 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.263 0.106 18806 166 1 2 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.662 2.781 18806 167 1 2 . 1 1 14 14 SER N N 14 114.545 114.545 117.347 -2.802 18806 168 1 2 . 1 1 14 14 SER HA H 14 4.491 4.491 4.569 -0.078 18806 169 1 2 . 1 1 14 14 SER C C 14 173.113 173.113 173.626 -0.513 18806 170 1 2 . 1 1 14 14 SER CA C 14 59.545 59.545 59.278 0.267 18806 171 1 2 . 1 1 14 14 SER CB C 14 64.037 64.037 63.572 0.465 18806 172 1 2 . 1 1 15 15 ASP N N 15 117.860 117.860 120.836 -2.976 18806 173 1 2 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.131 -0.427 18806 174 1 2 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.142 -0.445 18806 175 1 2 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.671 -1.327 18806 176 1 2 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.913 -0.357 18806 177 1 2 . 1 1 16 16 PRO C C 16 178.801 178.801 177.537 1.264 18806 178 1 2 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.733 -0.356 18806 179 1 2 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.315 0.253 18806 180 1 2 . 1 1 17 17 THR N N 17 117.621 117.621 108.871 8.750 18806 181 1 2 . 1 1 17 17 THR HA H 17 3.759 3.759 4.115 -0.356 18806 182 1 2 . 1 1 17 17 THR C C 17 176.424 176.424 176.684 -0.260 18806 183 1 2 . 1 1 17 17 THR CA C 17 66.554 66.554 64.904 1.650 18806 184 1 2 . 1 1 17 17 THR CB C 17 67.664 67.664 68.635 -0.971 18806 185 1 2 . 1 1 18 18 SER N N 18 119.883 119.883 118.195 1.688 18806 186 1 2 . 1 1 18 18 SER HA H 18 3.871 3.871 4.245 -0.374 18806 187 1 2 . 1 1 18 18 SER C C 18 177.038 177.038 176.336 0.702 18806 188 1 2 . 1 1 18 18 SER CA C 18 61.906 61.906 61.589 0.317 18806 189 1 2 . 1 1 18 18 SER CB C 18 61.877 61.877 62.598 -0.721 18806 190 1 2 . 1 1 19 19 LYS N N 19 121.563 121.563 120.667 0.896 18806 191 1 2 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.522 -0.909 18806 192 1 2 . 1 1 19 19 LYS C C 19 176.639 176.639 177.904 -1.265 18806 193 1 2 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.322 1.165 18806 194 1 2 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.098 -0.512 18806 195 1 2 . 1 1 20 20 MET N N 20 118.908 118.908 120.171 -1.263 18806 196 1 2 . 1 1 20 20 MET HA H 20 3.927 3.927 4.380 -0.453 18806 197 1 2 . 1 1 20 20 MET C C 20 178.910 178.910 177.569 1.341 18806 198 1 2 . 1 1 20 20 MET CA C 20 58.719 58.719 57.223 1.496 18806 199 1 2 . 1 1 20 20 MET CB C 20 31.756 31.756 32.673 -0.917 18806 200 1 2 . 1 1 21 21 ARG N N 21 118.164 118.164 119.302 -1.138 18806 201 1 2 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.251 -0.346 18806 202 1 2 . 1 1 21 21 ARG C C 21 179.107 179.107 178.856 0.251 18806 203 1 2 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.167 0.639 18806 204 1 2 . 1 1 21 21 ARG CB C 21 30.101 30.101 28.953 1.148 18806 205 1 2 . 1 1 22 22 HIS N N 22 117.794 117.794 119.411 -1.617 18806 206 1 2 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.291 -0.124 18806 207 1 2 . 1 1 22 22 HIS C C 22 178.014 178.014 177.247 0.767 18806 208 1 2 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.457 -0.545 18806 209 1 2 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.649 -1.728 18806 210 1 2 . 1 1 23 23 LEU N N 23 122.319 122.319 120.338 1.981 18806 211 1 2 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.254 -0.470 18806 212 1 2 . 1 1 23 23 LEU C C 23 179.021 179.021 179.268 -0.247 18806 213 1 2 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.309 0.283 18806 214 1 2 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.074 -0.416 18806 215 1 2 . 1 1 24 24 GLU N N 24 116.297 116.297 116.784 -0.487 18806 216 1 2 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.150 -0.158 18806 217 1 2 . 1 1 24 24 GLU C C 24 178.251 178.251 178.734 -0.483 18806 218 1 2 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.074 -0.745 18806 219 1 2 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.034 0.383 18806 220 1 2 . 1 1 25 25 THR N N 25 108.890 108.890 115.104 -6.214 18806 221 1 2 . 1 1 25 25 THR HA H 25 4.010 4.010 4.183 -0.173 18806 222 1 2 . 1 1 25 25 THR C C 25 175.170 175.170 174.396 0.774 18806 223 1 2 . 1 1 25 25 THR CA C 25 63.499 63.499 64.576 -1.077 18806 224 1 2 . 1 1 25 25 THR CB C 25 69.177 69.177 68.376 0.801 18806 225 1 2 . 1 1 26 26 HIS N N 26 118.044 118.044 117.730 0.314 18806 226 1 2 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.336 0.131 18806 227 1 2 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.396 -3.135 18806 228 1 2 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.114 -1.472 18806 229 1 3 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.438 -0.291 18806 230 1 3 . 1 1 3 3 PRO C C 3 176.083 176.083 175.415 0.668 18806 231 1 3 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.137 1.278 18806 232 1 3 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.403 -0.526 18806 233 1 3 . 1 1 4 4 TYR N N 4 117.838 117.838 120.393 -2.555 18806 234 1 3 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.683 -0.223 18806 235 1 3 . 1 1 4 4 TYR C C 4 174.569 174.569 175.440 -0.871 18806 236 1 3 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.948 -0.178 18806 237 1 3 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.049 -1.619 18806 238 1 3 . 1 1 5 5 GLN N N 5 123.036 123.036 124.254 -1.218 18806 239 1 3 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.582 0.295 18806 240 1 3 . 1 1 5 5 GLN C C 5 175.122 175.122 174.861 0.261 18806 241 1 3 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.813 -1.255 18806 242 1 3 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.126 1.466 18806 243 1 3 . 1 1 6 6 CYS N N 6 125.821 125.821 126.972 -1.151 18806 244 1 3 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.565 -0.288 18806 245 1 3 . 1 1 6 6 CYS C C 6 176.578 176.578 175.906 0.672 18806 246 1 3 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.874 0.371 18806 247 1 3 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.814 1.464 18806 248 1 3 . 1 1 7 7 ASP N N 7 129.841 129.841 129.683 0.158 18806 249 1 3 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.395 -0.179 18806 250 1 3 . 1 1 7 7 ASP C C 7 175.676 175.676 175.758 -0.082 18806 251 1 3 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.428 -0.078 18806 252 1 3 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.501 0.242 18806 253 1 3 . 1 1 8 8 TYR N N 8 119.023 119.023 115.804 3.219 18806 254 1 3 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.655 -0.415 18806 255 1 3 . 1 1 8 8 TYR C C 8 176.440 176.440 176.078 0.362 18806 256 1 3 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.284 1.262 18806 257 1 3 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.453 -0.392 18806 258 1 3 . 1 1 9 9 CYS N N 9 115.815 115.815 117.014 -1.199 18806 259 1 3 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.831 0.207 18806 260 1 3 . 1 1 9 9 CYS C C 9 175.815 175.815 176.118 -0.303 18806 261 1 3 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.678 -1.368 18806 262 1 3 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.683 1.590 18806 263 1 3 . 1 1 10 10 GLY N N 10 111.402 111.402 109.377 2.025 18806 264 1 3 . 1 1 10 10 GLY C C 10 173.932 173.932 173.155 0.777 18806 265 1 3 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.340 0.699 18806 266 1 3 . 1 1 11 11 ARG N N 11 122.427 122.427 120.803 1.624 18806 267 1 3 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.249 -0.321 18806 268 1 3 . 1 1 11 11 ARG C C 11 174.220 174.220 174.633 -0.413 18806 269 1 3 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.453 2.149 18806 270 1 3 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.102 0.146 18806 271 1 3 . 1 1 12 12 SER N N 12 115.605 115.605 121.609 -6.004 18806 272 1 3 . 1 1 12 12 SER HA H 12 4.896 4.896 4.681 0.215 18806 273 1 3 . 1 1 12 12 SER C C 12 172.775 172.775 173.541 -0.766 18806 274 1 3 . 1 1 12 12 SER CA C 12 57.311 57.311 58.308 -0.997 18806 275 1 3 . 1 1 12 12 SER CB C 12 65.516 65.516 63.603 1.913 18806 276 1 3 . 1 1 13 13 PHE N N 13 118.534 118.534 126.228 -7.694 18806 277 1 3 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.596 -0.005 18806 278 1 3 . 1 1 13 13 PHE C C 13 175.330 175.330 176.401 -1.071 18806 279 1 3 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.493 -0.124 18806 280 1 3 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.195 3.248 18806 281 1 3 . 1 1 14 14 SER N N 14 114.545 114.545 117.839 -3.294 18806 282 1 3 . 1 1 14 14 SER HA H 14 4.491 4.491 4.489 0.002 18806 283 1 3 . 1 1 14 14 SER C C 14 173.113 173.113 173.136 -0.023 18806 284 1 3 . 1 1 14 14 SER CA C 14 59.545 59.545 58.055 1.490 18806 285 1 3 . 1 1 14 14 SER CB C 14 64.037 64.037 62.946 1.091 18806 286 1 3 . 1 1 15 15 ASP N N 15 117.860 117.860 119.773 -1.913 18806 287 1 3 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.125 -0.421 18806 288 1 3 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.926 0.770 18806 289 1 3 . 1 1 15 15 ASP CB C 15 42.344 42.344 41.209 1.135 18806 290 1 3 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.184 -0.628 18806 291 1 3 . 1 1 16 16 PRO C C 16 178.801 178.801 177.691 1.110 18806 292 1 3 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.324 -0.947 18806 293 1 3 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.997 -0.429 18806 294 1 3 . 1 1 17 17 THR N N 17 117.621 117.621 111.890 5.731 18806 295 1 3 . 1 1 17 17 THR HA H 17 3.759 3.759 4.147 -0.388 18806 296 1 3 . 1 1 17 17 THR C C 17 176.424 176.424 176.542 -0.118 18806 297 1 3 . 1 1 17 17 THR CA C 17 66.554 66.554 65.227 1.327 18806 298 1 3 . 1 1 17 17 THR CB C 17 67.664 67.664 68.686 -1.022 18806 299 1 3 . 1 1 18 18 SER N N 18 119.883 119.883 117.224 2.659 18806 300 1 3 . 1 1 18 18 SER HA H 18 3.871 3.871 4.270 -0.399 18806 301 1 3 . 1 1 18 18 SER C C 18 177.038 177.038 176.019 1.019 18806 302 1 3 . 1 1 18 18 SER CA C 18 61.906 61.906 61.413 0.493 18806 303 1 3 . 1 1 18 18 SER CB C 18 61.877 61.877 62.998 -1.121 18806 304 1 3 . 1 1 19 19 LYS N N 19 121.563 121.563 121.727 -0.164 18806 305 1 3 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.460 -0.847 18806 306 1 3 . 1 1 19 19 LYS C C 19 176.639 176.639 178.215 -1.576 18806 307 1 3 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.921 0.566 18806 308 1 3 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.147 -0.561 18806 309 1 3 . 1 1 20 20 MET N N 20 118.908 118.908 119.699 -0.791 18806 310 1 3 . 1 1 20 20 MET HA H 20 3.927 3.927 4.279 -0.352 18806 311 1 3 . 1 1 20 20 MET C C 20 178.910 178.910 178.116 0.794 18806 312 1 3 . 1 1 20 20 MET CA C 20 58.719 58.719 57.915 0.804 18806 313 1 3 . 1 1 20 20 MET CB C 20 31.756 31.756 32.123 -0.367 18806 314 1 3 . 1 1 21 21 ARG N N 21 118.164 118.164 118.567 -0.403 18806 315 1 3 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.214 -0.309 18806 316 1 3 . 1 1 21 21 ARG C C 21 179.107 179.107 178.954 0.153 18806 317 1 3 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.979 -0.172 18806 318 1 3 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.865 0.236 18806 319 1 3 . 1 1 22 22 HIS N N 22 117.794 117.794 121.005 -3.211 18806 320 1 3 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.311 -0.144 18806 321 1 3 . 1 1 22 22 HIS C C 22 178.014 178.014 177.197 0.817 18806 322 1 3 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.537 -0.625 18806 323 1 3 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.642 -1.721 18806 324 1 3 . 1 1 23 23 LEU N N 23 122.319 122.319 119.476 2.843 18806 325 1 3 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.404 -0.620 18806 326 1 3 . 1 1 23 23 LEU C C 23 179.021 179.021 179.364 -0.343 18806 327 1 3 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.233 0.358 18806 328 1 3 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.081 -0.423 18806 329 1 3 . 1 1 24 24 GLU N N 24 116.297 116.297 119.142 -2.845 18806 330 1 3 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.042 -0.050 18806 331 1 3 . 1 1 24 24 GLU C C 24 178.251 178.251 178.257 -0.006 18806 332 1 3 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.578 -1.249 18806 333 1 3 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.778 -0.361 18806 334 1 3 . 1 1 25 25 THR N N 25 108.890 108.890 110.946 -2.056 18806 335 1 3 . 1 1 25 25 THR HA H 25 4.010 4.010 4.242 -0.232 18806 336 1 3 . 1 1 25 25 THR C C 25 175.170 175.170 175.863 -0.693 18806 337 1 3 . 1 1 25 25 THR CA C 25 63.499 63.499 63.227 0.272 18806 338 1 3 . 1 1 25 25 THR CB C 25 69.177 69.177 68.189 0.988 18806 339 1 3 . 1 1 26 26 HIS N N 26 118.044 118.044 120.932 -2.888 18806 340 1 3 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.533 -0.066 18806 341 1 3 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.346 -2.085 18806 342 1 3 . 1 1 26 26 HIS CB C 26 28.642 28.642 28.912 -0.270 18806 343 1 4 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.551 -0.404 18806 344 1 4 . 1 1 3 3 PRO C C 3 176.083 176.083 175.495 0.588 18806 345 1 4 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.467 0.948 18806 346 1 4 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.105 -0.228 18806 347 1 4 . 1 1 4 4 TYR N N 4 117.838 117.838 123.842 -6.004 18806 348 1 4 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.607 -0.147 18806 349 1 4 . 1 1 4 4 TYR C C 4 174.569 174.569 175.391 -0.822 18806 350 1 4 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.960 -0.190 18806 351 1 4 . 1 1 4 4 TYR CB C 4 38.430 38.430 37.823 0.607 18806 352 1 4 . 1 1 5 5 GLN N N 5 123.036 123.036 124.361 -1.325 18806 353 1 4 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.502 0.375 18806 354 1 4 . 1 1 5 5 GLN C C 5 175.122 175.122 175.243 -0.121 18806 355 1 4 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.574 -1.016 18806 356 1 4 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.141 1.451 18806 357 1 4 . 1 1 6 6 CYS N N 6 125.821 125.821 127.814 -1.993 18806 358 1 4 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.618 -0.341 18806 359 1 4 . 1 1 6 6 CYS C C 6 176.578 176.578 175.420 1.158 18806 360 1 4 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.488 0.757 18806 361 1 4 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.477 1.801 18806 362 1 4 . 1 1 7 7 ASP N N 7 129.841 129.841 129.761 0.080 18806 363 1 4 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.424 -0.208 18806 364 1 4 . 1 1 7 7 ASP C C 7 175.676 175.676 175.878 -0.202 18806 365 1 4 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.366 -0.016 18806 366 1 4 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.488 0.255 18806 367 1 4 . 1 1 8 8 TYR N N 8 119.023 119.023 116.906 2.117 18806 368 1 4 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.602 -0.362 18806 369 1 4 . 1 1 8 8 TYR C C 8 176.440 176.440 176.772 -0.332 18806 370 1 4 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.836 0.710 18806 371 1 4 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.412 -0.352 18806 372 1 4 . 1 1 9 9 CYS N N 9 115.815 115.815 118.309 -2.494 18806 373 1 4 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.644 0.394 18806 374 1 4 . 1 1 9 9 CYS C C 9 175.815 175.815 176.314 -0.499 18806 375 1 4 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.735 -2.425 18806 376 1 4 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.342 2.931 18806 377 1 4 . 1 1 10 10 GLY N N 10 111.402 111.402 108.262 3.140 18806 378 1 4 . 1 1 10 10 GLY C C 10 173.932 173.932 173.399 0.533 18806 379 1 4 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.232 0.807 18806 380 1 4 . 1 1 11 11 ARG N N 11 122.427 122.427 120.762 1.665 18806 381 1 4 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.265 -0.337 18806 382 1 4 . 1 1 11 11 ARG C C 11 174.220 174.220 174.503 -0.283 18806 383 1 4 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.494 3.108 18806 384 1 4 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.281 -0.033 18806 385 1 4 . 1 1 12 12 SER N N 12 115.605 115.605 120.375 -4.770 18806 386 1 4 . 1 1 12 12 SER HA H 12 4.896 4.896 4.488 0.408 18806 387 1 4 . 1 1 12 12 SER C C 12 172.775 172.775 173.423 -0.648 18806 388 1 4 . 1 1 12 12 SER CA C 12 57.311 57.311 57.419 -0.107 18806 389 1 4 . 1 1 12 12 SER CB C 12 65.516 65.516 63.725 1.790 18806 390 1 4 . 1 1 13 13 PHE N N 13 118.534 118.534 127.057 -8.523 18806 391 1 4 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.721 -0.130 18806 392 1 4 . 1 1 13 13 PHE C C 13 175.330 175.330 176.318 -0.988 18806 393 1 4 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.217 0.152 18806 394 1 4 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.208 3.235 18806 395 1 4 . 1 1 14 14 SER N N 14 114.545 114.545 116.950 -2.405 18806 396 1 4 . 1 1 14 14 SER HA H 14 4.491 4.491 4.532 -0.041 18806 397 1 4 . 1 1 14 14 SER C C 14 173.113 173.113 173.916 -0.803 18806 398 1 4 . 1 1 14 14 SER CA C 14 59.545 59.545 59.426 0.119 18806 399 1 4 . 1 1 14 14 SER CB C 14 64.037 64.037 63.756 0.281 18806 400 1 4 . 1 1 15 15 ASP N N 15 117.860 117.860 120.811 -2.951 18806 401 1 4 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.099 -0.395 18806 402 1 4 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.566 1.131 18806 403 1 4 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.186 -0.842 18806 404 1 4 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.596 -0.040 18806 405 1 4 . 1 1 16 16 PRO C C 16 178.801 178.801 177.487 1.314 18806 406 1 4 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.549 -0.173 18806 407 1 4 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.834 -0.266 18806 408 1 4 . 1 1 17 17 THR N N 17 117.621 117.621 113.405 4.216 18806 409 1 4 . 1 1 17 17 THR HA H 17 3.759 3.759 4.183 -0.424 18806 410 1 4 . 1 1 17 17 THR C C 17 176.424 176.424 176.282 0.142 18806 411 1 4 . 1 1 17 17 THR CA C 17 66.554 66.554 65.999 0.555 18806 412 1 4 . 1 1 17 17 THR CB C 17 67.664 67.664 68.965 -1.301 18806 413 1 4 . 1 1 18 18 SER N N 18 119.883 119.883 116.977 2.906 18806 414 1 4 . 1 1 18 18 SER HA H 18 3.871 3.871 4.168 -0.297 18806 415 1 4 . 1 1 18 18 SER C C 18 177.038 177.038 176.163 0.875 18806 416 1 4 . 1 1 18 18 SER CA C 18 61.906 61.906 61.234 0.672 18806 417 1 4 . 1 1 18 18 SER CB C 18 61.877 61.877 63.062 -1.185 18806 418 1 4 . 1 1 19 19 LYS N N 19 121.563 121.563 120.607 0.956 18806 419 1 4 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.699 -1.086 18806 420 1 4 . 1 1 19 19 LYS C C 19 176.639 176.639 178.076 -1.437 18806 421 1 4 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.580 0.907 18806 422 1 4 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.194 -0.608 18806 423 1 4 . 1 1 20 20 MET N N 20 118.908 118.908 119.508 -0.600 18806 424 1 4 . 1 1 20 20 MET HA H 20 3.927 3.927 4.347 -0.420 18806 425 1 4 . 1 1 20 20 MET C C 20 178.910 178.910 177.934 0.976 18806 426 1 4 . 1 1 20 20 MET CA C 20 58.719 58.719 56.756 1.963 18806 427 1 4 . 1 1 20 20 MET CB C 20 31.756 31.756 32.533 -0.777 18806 428 1 4 . 1 1 21 21 ARG N N 21 118.164 118.164 119.841 -1.677 18806 429 1 4 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.931 -0.026 18806 430 1 4 . 1 1 21 21 ARG C C 21 179.107 179.107 178.482 0.625 18806 431 1 4 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.879 -1.072 18806 432 1 4 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.159 -0.058 18806 433 1 4 . 1 1 22 22 HIS N N 22 117.794 117.794 119.809 -2.015 18806 434 1 4 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.300 -0.133 18806 435 1 4 . 1 1 22 22 HIS C C 22 178.014 178.014 177.384 0.630 18806 436 1 4 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.302 -0.390 18806 437 1 4 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.574 -1.653 18806 438 1 4 . 1 1 23 23 LEU N N 23 122.319 122.319 118.830 3.489 18806 439 1 4 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.260 -0.476 18806 440 1 4 . 1 1 23 23 LEU C C 23 179.021 179.021 179.031 -0.010 18806 441 1 4 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.725 0.867 18806 442 1 4 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.052 0.606 18806 443 1 4 . 1 1 24 24 GLU N N 24 116.297 116.297 117.979 -1.682 18806 444 1 4 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.222 -0.230 18806 445 1 4 . 1 1 24 24 GLU C C 24 178.251 178.251 179.157 -0.906 18806 446 1 4 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.092 -0.763 18806 447 1 4 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.536 -0.119 18806 448 1 4 . 1 1 25 25 THR N N 25 108.890 108.890 116.006 -7.116 18806 449 1 4 . 1 1 25 25 THR HA H 25 4.010 4.010 4.064 -0.054 18806 450 1 4 . 1 1 25 25 THR C C 25 175.170 175.170 175.752 -0.582 18806 451 1 4 . 1 1 25 25 THR CA C 25 63.499 63.499 66.189 -2.690 18806 452 1 4 . 1 1 25 25 THR CB C 25 69.177 69.177 68.488 0.689 18806 453 1 4 . 1 1 26 26 HIS N N 26 118.044 118.044 117.142 0.902 18806 454 1 4 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.354 0.113 18806 455 1 4 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.942 -2.681 18806 456 1 4 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.344 -0.702 18806 457 1 5 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.476 -0.329 18806 458 1 5 . 1 1 3 3 PRO C C 3 176.083 176.083 175.438 0.645 18806 459 1 5 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.459 0.956 18806 460 1 5 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.880 -0.003 18806 461 1 5 . 1 1 4 4 TYR N N 4 117.838 117.838 123.069 -5.231 18806 462 1 5 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.874 -0.414 18806 463 1 5 . 1 1 4 4 TYR C C 4 174.569 174.569 174.558 0.011 18806 464 1 5 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.335 0.435 18806 465 1 5 . 1 1 4 4 TYR CB C 4 38.430 38.430 43.085 -4.655 18806 466 1 5 . 1 1 5 5 GLN N N 5 123.036 123.036 118.664 4.372 18806 467 1 5 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.499 -0.622 18806 468 1 5 . 1 1 5 5 GLN C C 5 175.122 175.122 175.256 -0.134 18806 469 1 5 . 1 1 5 5 GLN CA C 5 54.558 54.558 53.278 1.280 18806 470 1 5 . 1 1 5 5 GLN CB C 5 31.592 31.592 32.231 -0.639 18806 471 1 5 . 1 1 6 6 CYS N N 6 125.821 125.821 121.883 3.938 18806 472 1 5 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.697 -0.420 18806 473 1 5 . 1 1 6 6 CYS C C 6 176.578 176.578 175.343 1.235 18806 474 1 5 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.574 0.671 18806 475 1 5 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.905 1.373 18806 476 1 5 . 1 1 7 7 ASP N N 7 129.841 129.841 129.984 -0.143 18806 477 1 5 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.471 -0.255 18806 478 1 5 . 1 1 7 7 ASP C C 7 175.676 175.676 176.065 -0.389 18806 479 1 5 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.590 -0.240 18806 480 1 5 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.504 0.239 18806 481 1 5 . 1 1 8 8 TYR N N 8 119.023 119.023 116.914 2.109 18806 482 1 5 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.601 -0.361 18806 483 1 5 . 1 1 8 8 TYR C C 8 176.440 176.440 176.373 0.067 18806 484 1 5 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.261 1.285 18806 485 1 5 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.486 -0.426 18806 486 1 5 . 1 1 9 9 CYS N N 9 115.815 115.815 117.121 -1.306 18806 487 1 5 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.818 0.220 18806 488 1 5 . 1 1 9 9 CYS C C 9 175.815 175.815 176.183 -0.368 18806 489 1 5 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.088 -1.778 18806 490 1 5 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.878 1.395 18806 491 1 5 . 1 1 10 10 GLY N N 10 111.402 111.402 109.117 2.285 18806 492 1 5 . 1 1 10 10 GLY C C 10 173.932 173.932 173.513 0.419 18806 493 1 5 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.466 0.573 18806 494 1 5 . 1 1 11 11 ARG N N 11 122.427 122.427 120.471 1.956 18806 495 1 5 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.263 -0.335 18806 496 1 5 . 1 1 11 11 ARG C C 11 174.220 174.220 174.986 -0.766 18806 497 1 5 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.607 1.995 18806 498 1 5 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.089 0.159 18806 499 1 5 . 1 1 12 12 SER N N 12 115.605 115.605 120.264 -4.659 18806 500 1 5 . 1 1 12 12 SER HA H 12 4.896 4.896 5.166 -0.270 18806 501 1 5 . 1 1 12 12 SER C C 12 172.775 172.775 173.851 -1.076 18806 502 1 5 . 1 1 12 12 SER CA C 12 57.311 57.311 58.855 -1.544 18806 503 1 5 . 1 1 12 12 SER CB C 12 65.516 65.516 63.463 2.053 18806 504 1 5 . 1 1 13 13 PHE N N 13 118.534 118.534 126.276 -7.742 18806 505 1 5 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.650 -0.059 18806 506 1 5 . 1 1 13 13 PHE C C 13 175.330 175.330 176.210 -0.880 18806 507 1 5 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.357 0.012 18806 508 1 5 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.997 3.446 18806 509 1 5 . 1 1 14 14 SER N N 14 114.545 114.545 116.879 -2.334 18806 510 1 5 . 1 1 14 14 SER HA H 14 4.491 4.491 4.701 -0.210 18806 511 1 5 . 1 1 14 14 SER C C 14 173.113 173.113 173.764 -0.651 18806 512 1 5 . 1 1 14 14 SER CA C 14 59.545 59.545 58.080 1.465 18806 513 1 5 . 1 1 14 14 SER CB C 14 64.037 64.037 63.483 0.554 18806 514 1 5 . 1 1 15 15 ASP N N 15 117.860 117.860 118.094 -0.234 18806 515 1 5 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.034 -0.330 18806 516 1 5 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.663 1.034 18806 517 1 5 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.482 -0.138 18806 518 1 5 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.125 -0.569 18806 519 1 5 . 1 1 16 16 PRO C C 16 178.801 178.801 178.608 0.193 18806 520 1 5 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.647 -1.270 18806 521 1 5 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.051 -0.483 18806 522 1 5 . 1 1 17 17 THR N N 17 117.621 117.621 112.108 5.513 18806 523 1 5 . 1 1 17 17 THR HA H 17 3.759 3.759 4.088 -0.329 18806 524 1 5 . 1 1 17 17 THR C C 17 176.424 176.424 176.394 0.030 18806 525 1 5 . 1 1 17 17 THR CA C 17 66.554 66.554 66.069 0.485 18806 526 1 5 . 1 1 17 17 THR CB C 17 67.664 67.664 68.483 -0.819 18806 527 1 5 . 1 1 18 18 SER N N 18 119.883 119.883 116.484 3.399 18806 528 1 5 . 1 1 18 18 SER HA H 18 3.871 3.871 4.285 -0.414 18806 529 1 5 . 1 1 18 18 SER C C 18 177.038 177.038 176.183 0.855 18806 530 1 5 . 1 1 18 18 SER CA C 18 61.906 61.906 61.444 0.462 18806 531 1 5 . 1 1 18 18 SER CB C 18 61.877 61.877 62.820 -0.943 18806 532 1 5 . 1 1 19 19 LYS N N 19 121.563 121.563 122.319 -0.756 18806 533 1 5 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.542 -0.929 18806 534 1 5 . 1 1 19 19 LYS C C 19 176.639 176.639 177.658 -1.019 18806 535 1 5 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.815 0.672 18806 536 1 5 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.061 -0.475 18806 537 1 5 . 1 1 20 20 MET N N 20 118.908 118.908 120.030 -1.122 18806 538 1 5 . 1 1 20 20 MET HA H 20 3.927 3.927 4.266 -0.339 18806 539 1 5 . 1 1 20 20 MET C C 20 178.910 178.910 177.969 0.941 18806 540 1 5 . 1 1 20 20 MET CA C 20 58.719 58.719 57.680 1.039 18806 541 1 5 . 1 1 20 20 MET CB C 20 31.756 31.756 32.216 -0.460 18806 542 1 5 . 1 1 21 21 ARG N N 21 118.164 118.164 118.095 0.069 18806 543 1 5 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.021 -0.116 18806 544 1 5 . 1 1 21 21 ARG C C 21 179.107 179.107 178.636 0.471 18806 545 1 5 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.251 0.556 18806 546 1 5 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.086 1.015 18806 547 1 5 . 1 1 22 22 HIS N N 22 117.794 117.794 120.808 -3.014 18806 548 1 5 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.352 -0.185 18806 549 1 5 . 1 1 22 22 HIS C C 22 178.014 178.014 177.525 0.489 18806 550 1 5 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.338 -0.426 18806 551 1 5 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.619 -1.698 18806 552 1 5 . 1 1 23 23 LEU N N 23 122.319 122.319 118.384 3.935 18806 553 1 5 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.142 -0.358 18806 554 1 5 . 1 1 23 23 LEU C C 23 179.021 179.021 178.733 0.288 18806 555 1 5 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.362 1.230 18806 556 1 5 . 1 1 23 23 LEU CB C 23 41.658 41.658 40.848 0.810 18806 557 1 5 . 1 1 24 24 GLU N N 24 116.297 116.297 118.104 -1.807 18806 558 1 5 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.145 -0.153 18806 559 1 5 . 1 1 24 24 GLU C C 24 178.251 178.251 179.409 -1.158 18806 560 1 5 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.126 -0.797 18806 561 1 5 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.583 -0.166 18806 562 1 5 . 1 1 25 25 THR N N 25 108.890 108.890 110.229 -1.339 18806 563 1 5 . 1 1 25 25 THR HA H 25 4.010 4.010 4.174 -0.164 18806 564 1 5 . 1 1 25 25 THR C C 25 175.170 175.170 175.514 -0.344 18806 565 1 5 . 1 1 25 25 THR CA C 25 63.499 63.499 63.959 -0.460 18806 566 1 5 . 1 1 25 25 THR CB C 25 69.177 69.177 68.233 0.944 18806 567 1 5 . 1 1 26 26 HIS N N 26 118.044 118.044 119.764 -1.720 18806 568 1 5 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.379 0.088 18806 569 1 5 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.674 -3.413 18806 570 1 5 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.023 -1.381 18806 571 1 6 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.229 -0.082 18806 572 1 6 . 1 1 3 3 PRO C C 3 176.083 176.083 175.315 0.768 18806 573 1 6 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.150 1.265 18806 574 1 6 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.294 -0.417 18806 575 1 6 . 1 1 4 4 TYR N N 4 117.838 117.838 117.864 -0.026 18806 576 1 6 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.750 -0.290 18806 577 1 6 . 1 1 4 4 TYR C C 4 174.569 174.569 175.027 -0.458 18806 578 1 6 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.865 -0.095 18806 579 1 6 . 1 1 4 4 TYR CB C 4 38.430 38.430 41.339 -2.909 18806 580 1 6 . 1 1 5 5 GLN N N 5 123.036 123.036 123.536 -0.500 18806 581 1 6 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.940 -0.063 18806 582 1 6 . 1 1 5 5 GLN C C 5 175.122 175.122 174.897 0.225 18806 583 1 6 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.377 -0.819 18806 584 1 6 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.423 1.169 18806 585 1 6 . 1 1 6 6 CYS N N 6 125.821 125.821 126.165 -0.344 18806 586 1 6 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.571 -0.294 18806 587 1 6 . 1 1 6 6 CYS C C 6 176.578 176.578 176.090 0.488 18806 588 1 6 . 1 1 6 6 CYS CA C 6 60.245 60.245 60.135 0.110 18806 589 1 6 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.067 1.211 18806 590 1 6 . 1 1 7 7 ASP N N 7 129.841 129.841 127.417 2.424 18806 591 1 6 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.282 -0.066 18806 592 1 6 . 1 1 7 7 ASP C C 7 175.676 175.676 175.683 -0.007 18806 593 1 6 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.596 -0.247 18806 594 1 6 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.533 0.210 18806 595 1 6 . 1 1 8 8 TYR N N 8 119.023 119.023 115.496 3.527 18806 596 1 6 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.678 -0.438 18806 597 1 6 . 1 1 8 8 TYR C C 8 176.440 176.440 176.123 0.317 18806 598 1 6 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.938 1.608 18806 599 1 6 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.775 -0.715 18806 600 1 6 . 1 1 9 9 CYS N N 9 115.815 115.815 117.532 -1.717 18806 601 1 6 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.810 0.228 18806 602 1 6 . 1 1 9 9 CYS C C 9 175.815 175.815 176.178 -0.363 18806 603 1 6 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.126 -1.816 18806 604 1 6 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.664 1.609 18806 605 1 6 . 1 1 10 10 GLY N N 10 111.402 111.402 109.467 1.935 18806 606 1 6 . 1 1 10 10 GLY C C 10 173.932 173.932 173.359 0.573 18806 607 1 6 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.423 0.616 18806 608 1 6 . 1 1 11 11 ARG N N 11 122.427 122.427 121.318 1.109 18806 609 1 6 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.233 -0.305 18806 610 1 6 . 1 1 11 11 ARG C C 11 174.220 174.220 175.157 -0.937 18806 611 1 6 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.809 1.793 18806 612 1 6 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.781 0.467 18806 613 1 6 . 1 1 12 12 SER N N 12 115.605 115.605 121.421 -5.816 18806 614 1 6 . 1 1 12 12 SER HA H 12 4.896 4.896 4.707 0.189 18806 615 1 6 . 1 1 12 12 SER C C 12 172.775 172.775 173.669 -0.894 18806 616 1 6 . 1 1 12 12 SER CA C 12 57.311 57.311 58.677 -1.366 18806 617 1 6 . 1 1 12 12 SER CB C 12 65.516 65.516 63.293 2.223 18806 618 1 6 . 1 1 13 13 PHE N N 13 118.534 118.534 125.363 -6.829 18806 619 1 6 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.706 -0.115 18806 620 1 6 . 1 1 13 13 PHE C C 13 175.330 175.330 176.169 -0.839 18806 621 1 6 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.198 0.171 18806 622 1 6 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.023 3.420 18806 623 1 6 . 1 1 14 14 SER N N 14 114.545 114.545 119.848 -5.303 18806 624 1 6 . 1 1 14 14 SER HA H 14 4.491 4.491 4.391 0.100 18806 625 1 6 . 1 1 14 14 SER C C 14 173.113 173.113 173.565 -0.452 18806 626 1 6 . 1 1 14 14 SER CA C 14 59.545 59.545 59.940 -0.395 18806 627 1 6 . 1 1 14 14 SER CB C 14 64.037 64.037 63.499 0.538 18806 628 1 6 . 1 1 15 15 ASP N N 15 117.860 117.860 121.150 -3.290 18806 629 1 6 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.107 -0.403 18806 630 1 6 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.116 0.581 18806 631 1 6 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.154 -0.810 18806 632 1 6 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.425 -0.869 18806 633 1 6 . 1 1 16 16 PRO C C 16 178.801 178.801 177.358 1.443 18806 634 1 6 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.573 -0.196 18806 635 1 6 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.984 -0.416 18806 636 1 6 . 1 1 17 17 THR N N 17 117.621 117.621 113.330 4.291 18806 637 1 6 . 1 1 17 17 THR HA H 17 3.759 3.759 4.210 -0.451 18806 638 1 6 . 1 1 17 17 THR C C 17 176.424 176.424 176.688 -0.264 18806 639 1 6 . 1 1 17 17 THR CA C 17 66.554 66.554 65.992 0.562 18806 640 1 6 . 1 1 17 17 THR CB C 17 67.664 67.664 68.935 -1.271 18806 641 1 6 . 1 1 18 18 SER N N 18 119.883 119.883 117.341 2.542 18806 642 1 6 . 1 1 18 18 SER HA H 18 3.871 3.871 4.336 -0.465 18806 643 1 6 . 1 1 18 18 SER C C 18 177.038 177.038 176.343 0.695 18806 644 1 6 . 1 1 18 18 SER CA C 18 61.906 61.906 61.801 0.105 18806 645 1 6 . 1 1 18 18 SER CB C 18 61.877 61.877 62.983 -1.106 18806 646 1 6 . 1 1 19 19 LYS N N 19 121.563 121.563 122.518 -0.955 18806 647 1 6 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.559 -0.946 18806 648 1 6 . 1 1 19 19 LYS C C 19 176.639 176.639 178.156 -1.517 18806 649 1 6 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.094 0.393 18806 650 1 6 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.039 -0.453 18806 651 1 6 . 1 1 20 20 MET N N 20 118.908 118.908 119.344 -0.436 18806 652 1 6 . 1 1 20 20 MET HA H 20 3.927 3.927 4.243 -0.316 18806 653 1 6 . 1 1 20 20 MET C C 20 178.910 178.910 177.936 0.974 18806 654 1 6 . 1 1 20 20 MET CA C 20 58.719 58.719 57.758 0.961 18806 655 1 6 . 1 1 20 20 MET CB C 20 31.756 31.756 32.145 -0.389 18806 656 1 6 . 1 1 21 21 ARG N N 21 118.164 118.164 118.372 -0.208 18806 657 1 6 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.005 -0.100 18806 658 1 6 . 1 1 21 21 ARG C C 21 179.107 179.107 178.892 0.215 18806 659 1 6 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.457 0.350 18806 660 1 6 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.105 0.996 18806 661 1 6 . 1 1 22 22 HIS N N 22 117.794 117.794 120.814 -3.020 18806 662 1 6 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.246 -0.079 18806 663 1 6 . 1 1 22 22 HIS C C 22 178.014 178.014 177.388 0.626 18806 664 1 6 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.511 -0.599 18806 665 1 6 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.616 -1.695 18806 666 1 6 . 1 1 23 23 LEU N N 23 122.319 122.319 119.585 2.734 18806 667 1 6 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.194 -0.410 18806 668 1 6 . 1 1 23 23 LEU C C 23 179.021 179.021 179.112 -0.091 18806 669 1 6 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.871 0.721 18806 670 1 6 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.130 0.528 18806 671 1 6 . 1 1 24 24 GLU N N 24 116.297 116.297 117.730 -1.433 18806 672 1 6 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.146 -0.154 18806 673 1 6 . 1 1 24 24 GLU C C 24 178.251 178.251 179.482 -1.231 18806 674 1 6 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.035 -0.706 18806 675 1 6 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.252 0.165 18806 676 1 6 . 1 1 25 25 THR N N 25 108.890 108.890 116.131 -7.241 18806 677 1 6 . 1 1 25 25 THR HA H 25 4.010 4.010 4.076 -0.066 18806 678 1 6 . 1 1 25 25 THR C C 25 175.170 175.170 175.476 -0.306 18806 679 1 6 . 1 1 25 25 THR CA C 25 63.499 63.499 65.508 -2.009 18806 680 1 6 . 1 1 25 25 THR CB C 25 69.177 69.177 68.452 0.725 18806 681 1 6 . 1 1 26 26 HIS N N 26 118.044 118.044 117.757 0.287 18806 682 1 6 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.362 0.105 18806 683 1 6 . 1 1 26 26 HIS CA C 26 55.261 55.261 59.483 -4.222 18806 684 1 6 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.653 -1.011 18806 685 1 7 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.698 -0.551 18806 686 1 7 . 1 1 3 3 PRO C C 3 176.083 176.083 175.783 0.300 18806 687 1 7 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.445 0.970 18806 688 1 7 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.311 -0.434 18806 689 1 7 . 1 1 4 4 TYR N N 4 117.838 117.838 124.492 -6.654 18806 690 1 7 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.697 -0.237 18806 691 1 7 . 1 1 4 4 TYR C C 4 174.569 174.569 175.631 -1.062 18806 692 1 7 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.171 -0.401 18806 693 1 7 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.412 0.018 18806 694 1 7 . 1 1 5 5 GLN N N 5 123.036 123.036 122.985 0.051 18806 695 1 7 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.157 -0.280 18806 696 1 7 . 1 1 5 5 GLN C C 5 175.122 175.122 175.561 -0.439 18806 697 1 7 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.388 -0.830 18806 698 1 7 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.637 0.955 18806 699 1 7 . 1 1 6 6 CYS N N 6 125.821 125.821 123.798 2.023 18806 700 1 7 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.631 -0.354 18806 701 1 7 . 1 1 6 6 CYS C C 6 176.578 176.578 174.917 1.661 18806 702 1 7 . 1 1 6 6 CYS CA C 6 60.245 60.245 58.144 2.101 18806 703 1 7 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.131 2.147 18806 704 1 7 . 1 1 7 7 ASP N N 7 129.841 129.841 130.154 -0.313 18806 705 1 7 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.421 -0.205 18806 706 1 7 . 1 1 7 7 ASP C C 7 175.676 175.676 176.009 -0.333 18806 707 1 7 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.346 0.004 18806 708 1 7 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.356 0.387 18806 709 1 7 . 1 1 8 8 TYR N N 8 119.023 119.023 116.661 2.362 18806 710 1 7 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.609 -0.369 18806 711 1 7 . 1 1 8 8 TYR C C 8 176.440 176.440 176.501 -0.061 18806 712 1 7 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.672 0.874 18806 713 1 7 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.446 -0.385 18806 714 1 7 . 1 1 9 9 CYS N N 9 115.815 115.815 117.830 -2.015 18806 715 1 7 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.846 0.192 18806 716 1 7 . 1 1 9 9 CYS C C 9 175.815 175.815 176.132 -0.317 18806 717 1 7 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.534 -2.224 18806 718 1 7 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.241 2.032 18806 719 1 7 . 1 1 10 10 GLY N N 10 111.402 111.402 109.552 1.850 18806 720 1 7 . 1 1 10 10 GLY C C 10 173.932 173.932 173.329 0.603 18806 721 1 7 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.365 0.674 18806 722 1 7 . 1 1 11 11 ARG N N 11 122.427 122.427 120.665 1.762 18806 723 1 7 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.537 -0.609 18806 724 1 7 . 1 1 11 11 ARG C C 11 174.220 174.220 174.494 -0.274 18806 725 1 7 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.632 2.970 18806 726 1 7 . 1 1 11 11 ARG CB C 11 31.248 31.248 32.385 -1.137 18806 727 1 7 . 1 1 12 12 SER N N 12 115.605 115.605 121.107 -5.502 18806 728 1 7 . 1 1 12 12 SER HA H 12 4.896 4.896 4.717 0.179 18806 729 1 7 . 1 1 12 12 SER C C 12 172.775 172.775 173.741 -0.966 18806 730 1 7 . 1 1 12 12 SER CA C 12 57.311 57.311 58.135 -0.824 18806 731 1 7 . 1 1 12 12 SER CB C 12 65.516 65.516 63.296 2.220 18806 732 1 7 . 1 1 13 13 PHE N N 13 118.534 118.534 125.707 -7.173 18806 733 1 7 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.682 -0.091 18806 734 1 7 . 1 1 13 13 PHE C C 13 175.330 175.330 176.576 -1.246 18806 735 1 7 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.203 0.167 18806 736 1 7 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.398 3.045 18806 737 1 7 . 1 1 14 14 SER N N 14 114.545 114.545 116.064 -1.519 18806 738 1 7 . 1 1 14 14 SER HA H 14 4.491 4.491 4.529 -0.038 18806 739 1 7 . 1 1 14 14 SER C C 14 173.113 173.113 173.443 -0.330 18806 740 1 7 . 1 1 14 14 SER CA C 14 59.545 59.545 58.699 0.846 18806 741 1 7 . 1 1 14 14 SER CB C 14 64.037 64.037 63.645 0.392 18806 742 1 7 . 1 1 15 15 ASP N N 15 117.860 117.860 121.423 -3.563 18806 743 1 7 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.122 -0.418 18806 744 1 7 . 1 1 15 15 ASP CA C 15 51.697 51.697 50.982 0.715 18806 745 1 7 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.054 -0.710 18806 746 1 7 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.859 -0.303 18806 747 1 7 . 1 1 16 16 PRO C C 16 178.801 178.801 177.803 0.998 18806 748 1 7 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.687 -0.310 18806 749 1 7 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.801 -0.233 18806 750 1 7 . 1 1 17 17 THR N N 17 117.621 117.621 113.901 3.720 18806 751 1 7 . 1 1 17 17 THR HA H 17 3.759 3.759 4.056 -0.297 18806 752 1 7 . 1 1 17 17 THR C C 17 176.424 176.424 176.607 -0.183 18806 753 1 7 . 1 1 17 17 THR CA C 17 66.554 66.554 66.994 -0.440 18806 754 1 7 . 1 1 17 17 THR CB C 17 67.664 67.664 68.305 -0.641 18806 755 1 7 . 1 1 18 18 SER N N 18 119.883 119.883 117.235 2.648 18806 756 1 7 . 1 1 18 18 SER HA H 18 3.871 3.871 4.294 -0.423 18806 757 1 7 . 1 1 18 18 SER C C 18 177.038 177.038 176.033 1.005 18806 758 1 7 . 1 1 18 18 SER CA C 18 61.906 61.906 62.113 -0.207 18806 759 1 7 . 1 1 18 18 SER CB C 18 61.877 61.877 62.949 -1.071 18806 760 1 7 . 1 1 19 19 LYS N N 19 121.563 121.563 121.490 0.073 18806 761 1 7 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.567 -0.954 18806 762 1 7 . 1 1 19 19 LYS C C 19 176.639 176.639 177.451 -0.812 18806 763 1 7 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.578 0.909 18806 764 1 7 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.038 -0.453 18806 765 1 7 . 1 1 20 20 MET N N 20 118.908 118.908 120.081 -1.173 18806 766 1 7 . 1 1 20 20 MET HA H 20 3.927 3.927 4.278 -0.351 18806 767 1 7 . 1 1 20 20 MET C C 20 178.910 178.910 178.224 0.686 18806 768 1 7 . 1 1 20 20 MET CA C 20 58.719 58.719 57.596 1.123 18806 769 1 7 . 1 1 20 20 MET CB C 20 31.756 31.756 31.819 -0.063 18806 770 1 7 . 1 1 21 21 ARG N N 21 118.164 118.164 118.348 -0.184 18806 771 1 7 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.983 -0.078 18806 772 1 7 . 1 1 21 21 ARG C C 21 179.107 179.107 178.775 0.332 18806 773 1 7 . 1 1 21 21 ARG CA C 21 58.807 58.807 58.680 0.127 18806 774 1 7 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.117 0.984 18806 775 1 7 . 1 1 22 22 HIS N N 22 117.794 117.794 120.303 -2.509 18806 776 1 7 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.331 -0.164 18806 777 1 7 . 1 1 22 22 HIS C C 22 178.014 178.014 177.577 0.437 18806 778 1 7 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.537 -0.625 18806 779 1 7 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.591 -1.670 18806 780 1 7 . 1 1 23 23 LEU N N 23 122.319 122.319 119.737 2.582 18806 781 1 7 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.179 -0.396 18806 782 1 7 . 1 1 23 23 LEU C C 23 179.021 179.021 179.665 -0.644 18806 783 1 7 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.105 0.487 18806 784 1 7 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.838 -0.180 18806 785 1 7 . 1 1 24 24 GLU N N 24 116.297 116.297 119.602 -3.305 18806 786 1 7 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.104 -0.112 18806 787 1 7 . 1 1 24 24 GLU C C 24 178.251 178.251 178.506 -0.255 18806 788 1 7 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.329 -1.000 18806 789 1 7 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.226 0.191 18806 790 1 7 . 1 1 25 25 THR N N 25 108.890 108.890 114.967 -6.077 18806 791 1 7 . 1 1 25 25 THR HA H 25 4.010 4.010 4.383 -0.373 18806 792 1 7 . 1 1 25 25 THR C C 25 175.170 175.170 175.485 -0.315 18806 793 1 7 . 1 1 25 25 THR CA C 25 63.499 63.499 65.404 -1.905 18806 794 1 7 . 1 1 25 25 THR CB C 25 69.177 69.177 68.412 0.766 18806 795 1 7 . 1 1 26 26 HIS N N 26 118.044 118.044 118.587 -0.543 18806 796 1 7 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.317 0.150 18806 797 1 7 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.629 -3.368 18806 798 1 7 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.777 -1.135 18806 799 1 8 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.445 -0.298 18806 800 1 8 . 1 1 3 3 PRO C C 3 176.083 176.083 174.965 1.118 18806 801 1 8 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.246 1.169 18806 802 1 8 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.646 0.231 18806 803 1 8 . 1 1 4 4 TYR N N 4 117.838 117.838 123.657 -5.819 18806 804 1 8 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.699 -0.239 18806 805 1 8 . 1 1 4 4 TYR C C 4 174.569 174.569 175.275 -0.706 18806 806 1 8 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.803 -0.033 18806 807 1 8 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.277 -1.847 18806 808 1 8 . 1 1 5 5 GLN N N 5 123.036 123.036 123.130 -0.094 18806 809 1 8 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.462 0.415 18806 810 1 8 . 1 1 5 5 GLN C C 5 175.122 175.122 175.272 -0.150 18806 811 1 8 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.425 -0.867 18806 812 1 8 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.635 1.957 18806 813 1 8 . 1 1 6 6 CYS N N 6 125.821 125.821 125.472 0.349 18806 814 1 8 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.533 -0.256 18806 815 1 8 . 1 1 6 6 CYS C C 6 176.578 176.578 175.736 0.842 18806 816 1 8 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.643 0.602 18806 817 1 8 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.747 1.532 18806 818 1 8 . 1 1 7 7 ASP N N 7 129.841 129.841 129.316 0.525 18806 819 1 8 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.382 -0.166 18806 820 1 8 . 1 1 7 7 ASP C C 7 175.676 175.676 176.136 -0.460 18806 821 1 8 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.458 -0.108 18806 822 1 8 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.481 0.262 18806 823 1 8 . 1 1 8 8 TYR N N 8 119.023 119.023 116.565 2.458 18806 824 1 8 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.619 -0.379 18806 825 1 8 . 1 1 8 8 TYR C C 8 176.440 176.440 176.575 -0.135 18806 826 1 8 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.753 0.793 18806 827 1 8 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.730 -0.670 18806 828 1 8 . 1 1 9 9 CYS N N 9 115.815 115.815 117.902 -2.087 18806 829 1 8 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.771 0.267 18806 830 1 8 . 1 1 9 9 CYS C C 9 175.815 175.815 176.216 -0.401 18806 831 1 8 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.489 -2.179 18806 832 1 8 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.110 2.163 18806 833 1 8 . 1 1 10 10 GLY N N 10 111.402 111.402 108.767 2.635 18806 834 1 8 . 1 1 10 10 GLY C C 10 173.932 173.932 173.510 0.422 18806 835 1 8 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.300 0.739 18806 836 1 8 . 1 1 11 11 ARG N N 11 122.427 122.427 121.071 1.356 18806 837 1 8 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.220 -0.292 18806 838 1 8 . 1 1 11 11 ARG C C 11 174.220 174.220 174.627 -0.407 18806 839 1 8 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.462 3.140 18806 840 1 8 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.003 0.245 18806 841 1 8 . 1 1 12 12 SER N N 12 115.605 115.605 120.049 -4.444 18806 842 1 8 . 1 1 12 12 SER HA H 12 4.896 4.896 4.594 0.302 18806 843 1 8 . 1 1 12 12 SER C C 12 172.775 172.775 173.570 -0.795 18806 844 1 8 . 1 1 12 12 SER CA C 12 57.311 57.311 57.563 -0.252 18806 845 1 8 . 1 1 12 12 SER CB C 12 65.516 65.516 63.656 1.860 18806 846 1 8 . 1 1 13 13 PHE N N 13 118.534 118.534 125.227 -6.693 18806 847 1 8 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.779 -0.188 18806 848 1 8 . 1 1 13 13 PHE C C 13 175.330 175.330 176.542 -1.212 18806 849 1 8 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.953 0.416 18806 850 1 8 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.258 3.185 18806 851 1 8 . 1 1 14 14 SER N N 14 114.545 114.545 118.167 -3.622 18806 852 1 8 . 1 1 14 14 SER HA H 14 4.491 4.491 4.705 -0.214 18806 853 1 8 . 1 1 14 14 SER C C 14 173.113 173.113 173.778 -0.665 18806 854 1 8 . 1 1 14 14 SER CA C 14 59.545 59.545 59.421 0.124 18806 855 1 8 . 1 1 14 14 SER CB C 14 64.037 64.037 63.739 0.298 18806 856 1 8 . 1 1 15 15 ASP N N 15 117.860 117.860 121.563 -3.703 18806 857 1 8 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.154 -0.450 18806 858 1 8 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.929 -0.232 18806 859 1 8 . 1 1 15 15 ASP CB C 15 42.344 42.344 44.031 -1.687 18806 860 1 8 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.099 -0.543 18806 861 1 8 . 1 1 16 16 PRO C C 16 178.801 178.801 177.404 1.397 18806 862 1 8 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.327 -0.950 18806 863 1 8 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.137 -0.569 18806 864 1 8 . 1 1 17 17 THR N N 17 117.621 117.621 111.422 6.199 18806 865 1 8 . 1 1 17 17 THR HA H 17 3.759 3.759 4.109 -0.350 18806 866 1 8 . 1 1 17 17 THR C C 17 176.424 176.424 176.312 0.112 18806 867 1 8 . 1 1 17 17 THR CA C 17 66.554 66.554 66.896 -0.342 18806 868 1 8 . 1 1 17 17 THR CB C 17 67.664 67.664 67.870 -0.206 18806 869 1 8 . 1 1 18 18 SER N N 18 119.883 119.883 117.547 2.336 18806 870 1 8 . 1 1 18 18 SER HA H 18 3.871 3.871 4.302 -0.431 18806 871 1 8 . 1 1 18 18 SER C C 18 177.038 177.038 176.162 0.876 18806 872 1 8 . 1 1 18 18 SER CA C 18 61.906 61.906 61.590 0.316 18806 873 1 8 . 1 1 18 18 SER CB C 18 61.877 61.877 62.596 -0.719 18806 874 1 8 . 1 1 19 19 LYS N N 19 121.563 121.563 121.319 0.244 18806 875 1 8 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.560 -0.947 18806 876 1 8 . 1 1 19 19 LYS C C 19 176.639 176.639 177.944 -1.305 18806 877 1 8 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.919 0.568 18806 878 1 8 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.472 -0.886 18806 879 1 8 . 1 1 20 20 MET N N 20 118.908 118.908 119.575 -0.667 18806 880 1 8 . 1 1 20 20 MET HA H 20 3.927 3.927 4.302 -0.375 18806 881 1 8 . 1 1 20 20 MET C C 20 178.910 178.910 177.703 1.207 18806 882 1 8 . 1 1 20 20 MET CA C 20 58.719 58.719 58.349 0.370 18806 883 1 8 . 1 1 20 20 MET CB C 20 31.756 31.756 32.767 -1.011 18806 884 1 8 . 1 1 21 21 ARG N N 21 118.164 118.164 119.563 -1.399 18806 885 1 8 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.887 0.018 18806 886 1 8 . 1 1 21 21 ARG C C 21 179.107 179.107 178.041 1.066 18806 887 1 8 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.860 -1.053 18806 888 1 8 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.053 0.048 18806 889 1 8 . 1 1 22 22 HIS N N 22 117.794 117.794 118.871 -1.077 18806 890 1 8 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.277 -0.110 18806 891 1 8 . 1 1 22 22 HIS C C 22 178.014 178.014 178.145 -0.131 18806 892 1 8 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.602 -0.690 18806 893 1 8 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.512 -1.591 18806 894 1 8 . 1 1 23 23 LEU N N 23 122.319 122.319 119.878 2.441 18806 895 1 8 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.375 -0.591 18806 896 1 8 . 1 1 23 23 LEU C C 23 179.021 179.021 179.450 -0.429 18806 897 1 8 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.509 1.083 18806 898 1 8 . 1 1 23 23 LEU CB C 23 41.658 41.658 40.899 0.759 18806 899 1 8 . 1 1 24 24 GLU N N 24 116.297 116.297 118.931 -2.634 18806 900 1 8 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.168 -0.176 18806 901 1 8 . 1 1 24 24 GLU C C 24 178.251 178.251 177.287 0.964 18806 902 1 8 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.539 -0.210 18806 903 1 8 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.450 -0.033 18806 904 1 8 . 1 1 25 25 THR N N 25 108.890 108.890 112.205 -3.315 18806 905 1 8 . 1 1 25 25 THR HA H 25 4.010 4.010 4.307 -0.297 18806 906 1 8 . 1 1 25 25 THR C C 25 175.170 175.170 174.468 0.702 18806 907 1 8 . 1 1 25 25 THR CA C 25 63.499 63.499 62.891 0.608 18806 908 1 8 . 1 1 25 25 THR CB C 25 69.177 69.177 68.891 0.286 18806 909 1 8 . 1 1 26 26 HIS N N 26 118.044 118.044 119.141 -1.097 18806 910 1 8 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.343 0.124 18806 911 1 8 . 1 1 26 26 HIS CA C 26 55.261 55.261 59.138 -3.877 18806 912 1 8 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.614 -1.972 18806 913 1 9 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.602 -0.455 18806 914 1 9 . 1 1 3 3 PRO C C 3 176.083 176.083 175.571 0.512 18806 915 1 9 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.375 1.040 18806 916 1 9 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.344 -0.467 18806 917 1 9 . 1 1 4 4 TYR N N 4 117.838 117.838 124.126 -6.288 18806 918 1 9 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.651 -0.191 18806 919 1 9 . 1 1 4 4 TYR C C 4 174.569 174.569 175.257 -0.688 18806 920 1 9 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.051 -0.281 18806 921 1 9 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.254 -0.824 18806 922 1 9 . 1 1 5 5 GLN N N 5 123.036 123.036 123.854 -0.818 18806 923 1 9 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.091 -0.214 18806 924 1 9 . 1 1 5 5 GLN C C 5 175.122 175.122 175.290 -0.168 18806 925 1 9 . 1 1 5 5 GLN CA C 5 54.558 54.558 53.970 0.588 18806 926 1 9 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.616 1.976 18806 927 1 9 . 1 1 6 6 CYS N N 6 125.821 125.821 122.944 2.877 18806 928 1 9 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.652 -0.375 18806 929 1 9 . 1 1 6 6 CYS C C 6 176.578 176.578 175.837 0.741 18806 930 1 9 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.837 0.409 18806 931 1 9 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.066 1.212 18806 932 1 9 . 1 1 7 7 ASP N N 7 129.841 129.841 129.001 0.840 18806 933 1 9 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.287 -0.071 18806 934 1 9 . 1 1 7 7 ASP C C 7 175.676 175.676 175.910 -0.234 18806 935 1 9 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.888 -0.538 18806 936 1 9 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.372 0.371 18806 937 1 9 . 1 1 8 8 TYR N N 8 119.023 119.023 115.368 3.655 18806 938 1 9 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.702 -0.462 18806 939 1 9 . 1 1 8 8 TYR C C 8 176.440 176.440 176.200 0.240 18806 940 1 9 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.099 1.448 18806 941 1 9 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.637 -0.577 18806 942 1 9 . 1 1 9 9 CYS N N 9 115.815 115.815 117.200 -1.385 18806 943 1 9 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.892 0.146 18806 944 1 9 . 1 1 9 9 CYS C C 9 175.815 175.815 176.275 -0.460 18806 945 1 9 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.120 -0.810 18806 946 1 9 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.682 2.591 18806 947 1 9 . 1 1 10 10 GLY N N 10 111.402 111.402 108.566 2.836 18806 948 1 9 . 1 1 10 10 GLY C C 10 173.932 173.932 174.230 -0.298 18806 949 1 9 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.489 0.550 18806 950 1 9 . 1 1 11 11 ARG N N 11 122.427 122.427 121.125 1.302 18806 951 1 9 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.178 -0.250 18806 952 1 9 . 1 1 11 11 ARG C C 11 174.220 174.220 175.268 -1.048 18806 953 1 9 . 1 1 11 11 ARG CA C 11 57.602 57.602 56.022 1.580 18806 954 1 9 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.753 0.495 18806 955 1 9 . 1 1 12 12 SER N N 12 115.605 115.605 122.786 -7.181 18806 956 1 9 . 1 1 12 12 SER HA H 12 4.896 4.896 4.566 0.330 18806 957 1 9 . 1 1 12 12 SER C C 12 172.775 172.775 173.530 -0.755 18806 958 1 9 . 1 1 12 12 SER CA C 12 57.311 57.311 58.696 -1.385 18806 959 1 9 . 1 1 12 12 SER CB C 12 65.516 65.516 63.101 2.415 18806 960 1 9 . 1 1 13 13 PHE N N 13 118.534 118.534 126.224 -7.690 18806 961 1 9 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.634 -0.043 18806 962 1 9 . 1 1 13 13 PHE C C 13 175.330 175.330 176.503 -1.173 18806 963 1 9 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.577 -0.208 18806 964 1 9 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.495 3.948 18806 965 1 9 . 1 1 14 14 SER N N 14 114.545 114.545 116.926 -2.381 18806 966 1 9 . 1 1 14 14 SER HA H 14 4.491 4.491 4.489 0.002 18806 967 1 9 . 1 1 14 14 SER C C 14 173.113 173.113 174.048 -0.935 18806 968 1 9 . 1 1 14 14 SER CA C 14 59.545 59.545 58.533 1.012 18806 969 1 9 . 1 1 14 14 SER CB C 14 64.037 64.037 63.507 0.530 18806 970 1 9 . 1 1 15 15 ASP N N 15 117.860 117.860 121.121 -3.261 18806 971 1 9 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.025 -0.321 18806 972 1 9 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.013 -0.316 18806 973 1 9 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.747 -1.403 18806 974 1 9 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.633 -0.077 18806 975 1 9 . 1 1 16 16 PRO C C 16 178.801 178.801 177.732 1.069 18806 976 1 9 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.015 -0.638 18806 977 1 9 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.659 -0.091 18806 978 1 9 . 1 1 17 17 THR N N 17 117.621 117.621 112.995 4.626 18806 979 1 9 . 1 1 17 17 THR HA H 17 3.759 3.759 4.123 -0.364 18806 980 1 9 . 1 1 17 17 THR C C 17 176.424 176.424 176.794 -0.370 18806 981 1 9 . 1 1 17 17 THR CA C 17 66.554 66.554 65.549 1.005 18806 982 1 9 . 1 1 17 17 THR CB C 17 67.664 67.664 68.364 -0.700 18806 983 1 9 . 1 1 18 18 SER N N 18 119.883 119.883 117.948 1.935 18806 984 1 9 . 1 1 18 18 SER HA H 18 3.871 3.871 4.154 -0.283 18806 985 1 9 . 1 1 18 18 SER C C 18 177.038 177.038 175.861 1.177 18806 986 1 9 . 1 1 18 18 SER CA C 18 61.906 61.906 61.752 0.154 18806 987 1 9 . 1 1 18 18 SER CB C 18 61.877 61.877 62.606 -0.729 18806 988 1 9 . 1 1 19 19 LYS N N 19 121.563 121.563 121.452 0.111 18806 989 1 9 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.558 -0.945 18806 990 1 9 . 1 1 19 19 LYS C C 19 176.639 176.639 178.181 -1.542 18806 991 1 9 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.474 1.013 18806 992 1 9 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.047 -0.461 18806 993 1 9 . 1 1 20 20 MET N N 20 118.908 118.908 120.096 -1.188 18806 994 1 9 . 1 1 20 20 MET HA H 20 3.927 3.927 4.304 -0.377 18806 995 1 9 . 1 1 20 20 MET C C 20 178.910 178.910 177.586 1.324 18806 996 1 9 . 1 1 20 20 MET CA C 20 58.719 58.719 57.134 1.585 18806 997 1 9 . 1 1 20 20 MET CB C 20 31.756 31.756 32.197 -0.441 18806 998 1 9 . 1 1 21 21 ARG N N 21 118.164 118.164 119.874 -1.710 18806 999 1 9 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.874 0.031 18806 1000 1 9 . 1 1 21 21 ARG C C 21 179.107 179.107 178.470 0.637 18806 1001 1 9 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.932 -1.125 18806 1002 1 9 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.135 -0.034 18806 1003 1 9 . 1 1 22 22 HIS N N 22 117.794 117.794 118.688 -0.894 18806 1004 1 9 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.247 -0.080 18806 1005 1 9 . 1 1 22 22 HIS C C 22 178.014 178.014 177.265 0.749 18806 1006 1 9 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.578 -0.666 18806 1007 1 9 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.416 -1.495 18806 1008 1 9 . 1 1 23 23 LEU N N 23 122.319 122.319 119.681 2.638 18806 1009 1 9 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.168 -0.384 18806 1010 1 9 . 1 1 23 23 LEU C C 23 179.021 179.021 179.521 -0.500 18806 1011 1 9 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.016 0.576 18806 1012 1 9 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.697 -0.039 18806 1013 1 9 . 1 1 24 24 GLU N N 24 116.297 116.297 118.412 -2.115 18806 1014 1 9 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.056 -0.064 18806 1015 1 9 . 1 1 24 24 GLU C C 24 178.251 178.251 179.102 -0.851 18806 1016 1 9 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.200 -0.871 18806 1017 1 9 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.111 0.306 18806 1018 1 9 . 1 1 25 25 THR N N 25 108.890 108.890 114.295 -5.405 18806 1019 1 9 . 1 1 25 25 THR HA H 25 4.010 4.010 4.094 -0.084 18806 1020 1 9 . 1 1 25 25 THR C C 25 175.170 175.170 174.796 0.374 18806 1021 1 9 . 1 1 25 25 THR CA C 25 63.499 63.499 64.492 -0.993 18806 1022 1 9 . 1 1 25 25 THR CB C 25 69.177 69.177 68.702 0.475 18806 1023 1 9 . 1 1 26 26 HIS N N 26 118.044 118.044 117.697 0.347 18806 1024 1 9 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.421 0.046 18806 1025 1 9 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.544 -2.283 18806 1026 1 9 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.123 -1.481 18806 1027 1 10 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.363 -0.216 18806 1028 1 10 . 1 1 3 3 PRO C C 3 176.083 176.083 175.430 0.653 18806 1029 1 10 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.068 1.347 18806 1030 1 10 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.424 -0.547 18806 1031 1 10 . 1 1 4 4 TYR N N 4 117.838 117.838 120.390 -2.552 18806 1032 1 10 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.712 -0.252 18806 1033 1 10 . 1 1 4 4 TYR C C 4 174.569 174.569 175.900 -1.331 18806 1034 1 10 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.321 -0.551 18806 1035 1 10 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.752 -1.322 18806 1036 1 10 . 1 1 5 5 GLN N N 5 123.036 123.036 122.140 0.896 18806 1037 1 10 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.948 -0.071 18806 1038 1 10 . 1 1 5 5 GLN C C 5 175.122 175.122 175.532 -0.410 18806 1039 1 10 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.230 -0.672 18806 1040 1 10 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.247 1.345 18806 1041 1 10 . 1 1 6 6 CYS N N 6 125.821 125.821 123.097 2.724 18806 1042 1 10 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.645 -0.368 18806 1043 1 10 . 1 1 6 6 CYS C C 6 176.578 176.578 175.722 0.856 18806 1044 1 10 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.912 0.333 18806 1045 1 10 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.506 1.772 18806 1046 1 10 . 1 1 7 7 ASP N N 7 129.841 129.841 128.378 1.463 18806 1047 1 10 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.387 -0.171 18806 1048 1 10 . 1 1 7 7 ASP C C 7 175.676 175.676 175.848 -0.172 18806 1049 1 10 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.070 0.280 18806 1050 1 10 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.503 0.240 18806 1051 1 10 . 1 1 8 8 TYR N N 8 119.023 119.023 115.536 3.487 18806 1052 1 10 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.638 -0.398 18806 1053 1 10 . 1 1 8 8 TYR C C 8 176.440 176.440 176.288 0.152 18806 1054 1 10 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.361 1.185 18806 1055 1 10 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.793 -0.733 18806 1056 1 10 . 1 1 9 9 CYS N N 9 115.815 115.815 117.148 -1.333 18806 1057 1 10 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.841 0.197 18806 1058 1 10 . 1 1 9 9 CYS C C 9 175.815 175.815 176.103 -0.288 18806 1059 1 10 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.085 -1.775 18806 1060 1 10 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.988 1.285 18806 1061 1 10 . 1 1 10 10 GLY N N 10 111.402 111.402 109.107 2.295 18806 1062 1 10 . 1 1 10 10 GLY C C 10 173.932 173.932 173.337 0.595 18806 1063 1 10 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.342 0.697 18806 1064 1 10 . 1 1 11 11 ARG N N 11 122.427 122.427 120.803 1.624 18806 1065 1 10 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.204 -0.276 18806 1066 1 10 . 1 1 11 11 ARG C C 11 174.220 174.220 174.592 -0.372 18806 1067 1 10 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.753 1.849 18806 1068 1 10 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.979 0.269 18806 1069 1 10 . 1 1 12 12 SER N N 12 115.605 115.605 120.629 -5.024 18806 1070 1 10 . 1 1 12 12 SER HA H 12 4.896 4.896 4.492 0.404 18806 1071 1 10 . 1 1 12 12 SER C C 12 172.775 172.775 173.646 -0.871 18806 1072 1 10 . 1 1 12 12 SER CA C 12 57.311 57.311 57.829 -0.518 18806 1073 1 10 . 1 1 12 12 SER CB C 12 65.516 65.516 63.083 2.433 18806 1074 1 10 . 1 1 13 13 PHE N N 13 118.534 118.534 126.011 -7.477 18806 1075 1 10 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.601 -0.010 18806 1076 1 10 . 1 1 13 13 PHE C C 13 175.330 175.330 176.451 -1.121 18806 1077 1 10 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.523 -0.154 18806 1078 1 10 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.064 3.379 18806 1079 1 10 . 1 1 14 14 SER N N 14 114.545 114.545 117.821 -3.276 18806 1080 1 10 . 1 1 14 14 SER HA H 14 4.491 4.491 4.444 0.047 18806 1081 1 10 . 1 1 14 14 SER C C 14 173.113 173.113 173.439 -0.326 18806 1082 1 10 . 1 1 14 14 SER CA C 14 59.545 59.545 58.868 0.677 18806 1083 1 10 . 1 1 14 14 SER CB C 14 64.037 64.037 62.969 1.068 18806 1084 1 10 . 1 1 15 15 ASP N N 15 117.860 117.860 122.414 -4.554 18806 1085 1 10 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.132 -0.428 18806 1086 1 10 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.855 -0.159 18806 1087 1 10 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.998 -0.654 18806 1088 1 10 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.283 -0.727 18806 1089 1 10 . 1 1 16 16 PRO C C 16 178.801 178.801 177.745 1.056 18806 1090 1 10 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.204 -0.827 18806 1091 1 10 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.927 -0.359 18806 1092 1 10 . 1 1 17 17 THR N N 17 117.621 117.621 109.537 8.084 18806 1093 1 10 . 1 1 17 17 THR HA H 17 3.759 3.759 4.178 -0.419 18806 1094 1 10 . 1 1 17 17 THR C C 17 176.424 176.424 176.551 -0.127 18806 1095 1 10 . 1 1 17 17 THR CA C 17 66.554 66.554 65.350 1.204 18806 1096 1 10 . 1 1 17 17 THR CB C 17 67.664 67.664 68.268 -0.604 18806 1097 1 10 . 1 1 18 18 SER N N 18 119.883 119.883 117.206 2.677 18806 1098 1 10 . 1 1 18 18 SER HA H 18 3.871 3.871 4.247 -0.376 18806 1099 1 10 . 1 1 18 18 SER C C 18 177.038 177.038 176.387 0.651 18806 1100 1 10 . 1 1 18 18 SER CA C 18 61.906 61.906 60.752 1.154 18806 1101 1 10 . 1 1 18 18 SER CB C 18 61.877 61.877 62.803 -0.926 18806 1102 1 10 . 1 1 19 19 LYS N N 19 121.563 121.563 122.161 -0.598 18806 1103 1 10 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.536 -0.923 18806 1104 1 10 . 1 1 19 19 LYS C C 19 176.639 176.639 178.202 -1.563 18806 1105 1 10 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.017 0.470 18806 1106 1 10 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.250 -0.664 18806 1107 1 10 . 1 1 20 20 MET N N 20 118.908 118.908 119.654 -0.746 18806 1108 1 10 . 1 1 20 20 MET HA H 20 3.927 3.927 4.276 -0.349 18806 1109 1 10 . 1 1 20 20 MET C C 20 178.910 178.910 178.110 0.800 18806 1110 1 10 . 1 1 20 20 MET CA C 20 58.719 58.719 57.313 1.406 18806 1111 1 10 . 1 1 20 20 MET CB C 20 31.756 31.756 32.246 -0.490 18806 1112 1 10 . 1 1 21 21 ARG N N 21 118.164 118.164 118.277 -0.113 18806 1113 1 10 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.998 -0.093 18806 1114 1 10 . 1 1 21 21 ARG C C 21 179.107 179.107 178.643 0.464 18806 1115 1 10 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.257 -0.450 18806 1116 1 10 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.922 0.179 18806 1117 1 10 . 1 1 22 22 HIS N N 22 117.794 117.794 120.804 -3.010 18806 1118 1 10 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.309 -0.142 18806 1119 1 10 . 1 1 22 22 HIS C C 22 178.014 178.014 177.285 0.729 18806 1120 1 10 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.553 -0.641 18806 1121 1 10 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.660 -1.739 18806 1122 1 10 . 1 1 23 23 LEU N N 23 122.319 122.319 119.223 3.096 18806 1123 1 10 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.345 -0.561 18806 1124 1 10 . 1 1 23 23 LEU C C 23 179.021 179.021 178.393 0.628 18806 1125 1 10 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.731 0.861 18806 1126 1 10 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.867 -0.209 18806 1127 1 10 . 1 1 24 24 GLU N N 24 116.297 116.297 116.201 0.096 18806 1128 1 10 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.079 -0.087 18806 1129 1 10 . 1 1 24 24 GLU C C 24 178.251 178.251 178.449 -0.198 18806 1130 1 10 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.847 -0.518 18806 1131 1 10 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.437 -0.020 18806 1132 1 10 . 1 1 25 25 THR N N 25 108.890 108.890 114.045 -5.155 18806 1133 1 10 . 1 1 25 25 THR HA H 25 4.010 4.010 4.006 0.004 18806 1134 1 10 . 1 1 25 25 THR C C 25 175.170 175.170 175.702 -0.532 18806 1135 1 10 . 1 1 25 25 THR CA C 25 63.499 63.499 65.107 -1.608 18806 1136 1 10 . 1 1 25 25 THR CB C 25 69.177 69.177 68.490 0.687 18806 1137 1 10 . 1 1 26 26 HIS N N 26 118.044 118.044 117.649 0.395 18806 1138 1 10 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.459 0.008 18806 1139 1 10 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.352 -2.091 18806 1140 1 10 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.594 -0.952 18806 1141 1 11 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.331 -0.184 18806 1142 1 11 . 1 1 3 3 PRO C C 3 176.083 176.083 175.686 0.397 18806 1143 1 11 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.476 0.939 18806 1144 1 11 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.115 -0.238 18806 1145 1 11 . 1 1 4 4 TYR N N 4 117.838 117.838 124.456 -6.618 18806 1146 1 11 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.726 -0.266 18806 1147 1 11 . 1 1 4 4 TYR C C 4 174.569 174.569 175.463 -0.894 18806 1148 1 11 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.024 -0.254 18806 1149 1 11 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.035 0.395 18806 1150 1 11 . 1 1 5 5 GLN N N 5 123.036 123.036 122.636 0.400 18806 1151 1 11 . 1 1 5 5 GLN HA H 5 4.877 4.877 5.172 -0.295 18806 1152 1 11 . 1 1 5 5 GLN C C 5 175.122 175.122 174.994 0.128 18806 1153 1 11 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.748 -0.190 18806 1154 1 11 . 1 1 5 5 GLN CB C 5 31.592 31.592 31.333 0.259 18806 1155 1 11 . 1 1 6 6 CYS N N 6 125.821 125.821 121.680 4.141 18806 1156 1 11 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.664 -0.387 18806 1157 1 11 . 1 1 6 6 CYS C C 6 176.578 176.578 175.227 1.351 18806 1158 1 11 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.383 0.862 18806 1159 1 11 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.632 1.646 18806 1160 1 11 . 1 1 7 7 ASP N N 7 129.841 129.841 130.391 -0.550 18806 1161 1 11 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.549 -0.333 18806 1162 1 11 . 1 1 7 7 ASP C C 7 175.676 175.676 176.217 -0.541 18806 1163 1 11 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.527 -0.177 18806 1164 1 11 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.504 0.239 18806 1165 1 11 . 1 1 8 8 TYR N N 8 119.023 119.023 117.137 1.886 18806 1166 1 11 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.607 -0.367 18806 1167 1 11 . 1 1 8 8 TYR C C 8 176.440 176.440 176.356 0.084 18806 1168 1 11 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.819 1.727 18806 1169 1 11 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.185 -0.125 18806 1170 1 11 . 1 1 9 9 CYS N N 9 115.815 115.815 116.654 -0.839 18806 1171 1 11 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.826 0.212 18806 1172 1 11 . 1 1 9 9 CYS C C 9 175.815 175.815 176.095 -0.280 18806 1173 1 11 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.084 -1.774 18806 1174 1 11 . 1 1 9 9 CYS CB C 9 32.273 32.273 31.282 0.991 18806 1175 1 11 . 1 1 10 10 GLY N N 10 111.402 111.402 109.091 2.311 18806 1176 1 11 . 1 1 10 10 GLY C C 10 173.932 173.932 173.368 0.564 18806 1177 1 11 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.315 0.724 18806 1178 1 11 . 1 1 11 11 ARG N N 11 122.427 122.427 120.235 2.192 18806 1179 1 11 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.132 -0.204 18806 1180 1 11 . 1 1 11 11 ARG C C 11 174.220 174.220 174.345 -0.125 18806 1181 1 11 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.936 1.666 18806 1182 1 11 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.934 0.314 18806 1183 1 11 . 1 1 12 12 SER N N 12 115.605 115.605 120.774 -5.169 18806 1184 1 11 . 1 1 12 12 SER HA H 12 4.896 4.896 4.559 0.337 18806 1185 1 11 . 1 1 12 12 SER C C 12 172.775 172.775 173.665 -0.890 18806 1186 1 11 . 1 1 12 12 SER CA C 12 57.311 57.311 58.007 -0.696 18806 1187 1 11 . 1 1 12 12 SER CB C 12 65.516 65.516 63.325 2.191 18806 1188 1 11 . 1 1 13 13 PHE N N 13 118.534 118.534 124.695 -6.161 18806 1189 1 11 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.682 -0.091 18806 1190 1 11 . 1 1 13 13 PHE C C 13 175.330 175.330 176.645 -1.315 18806 1191 1 11 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.412 -0.043 18806 1192 1 11 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.963 2.480 18806 1193 1 11 . 1 1 14 14 SER N N 14 114.545 114.545 116.462 -1.917 18806 1194 1 11 . 1 1 14 14 SER HA H 14 4.491 4.491 4.544 -0.053 18806 1195 1 11 . 1 1 14 14 SER C C 14 173.113 173.113 173.916 -0.803 18806 1196 1 11 . 1 1 14 14 SER CA C 14 59.545 59.545 58.937 0.608 18806 1197 1 11 . 1 1 14 14 SER CB C 14 64.037 64.037 63.527 0.510 18806 1198 1 11 . 1 1 15 15 ASP N N 15 117.860 117.860 122.337 -4.477 18806 1199 1 11 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.101 -0.397 18806 1200 1 11 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.692 0.005 18806 1201 1 11 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.039 -0.695 18806 1202 1 11 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.812 -0.256 18806 1203 1 11 . 1 1 16 16 PRO C C 16 178.801 178.801 177.305 1.496 18806 1204 1 11 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.861 -0.484 18806 1205 1 11 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.502 0.066 18806 1206 1 11 . 1 1 17 17 THR N N 17 117.621 117.621 112.301 5.320 18806 1207 1 11 . 1 1 17 17 THR HA H 17 3.759 3.759 4.183 -0.424 18806 1208 1 11 . 1 1 17 17 THR C C 17 176.424 176.424 176.636 -0.212 18806 1209 1 11 . 1 1 17 17 THR CA C 17 66.554 66.554 64.939 1.615 18806 1210 1 11 . 1 1 17 17 THR CB C 17 67.664 67.664 68.650 -0.986 18806 1211 1 11 . 1 1 18 18 SER N N 18 119.883 119.883 118.026 1.857 18806 1212 1 11 . 1 1 18 18 SER HA H 18 3.871 3.871 4.177 -0.306 18806 1213 1 11 . 1 1 18 18 SER C C 18 177.038 177.038 176.023 1.015 18806 1214 1 11 . 1 1 18 18 SER CA C 18 61.906 61.906 61.471 0.435 18806 1215 1 11 . 1 1 18 18 SER CB C 18 61.877 61.877 62.638 -0.761 18806 1216 1 11 . 1 1 19 19 LYS N N 19 121.563 121.563 121.491 0.072 18806 1217 1 11 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.351 -0.738 18806 1218 1 11 . 1 1 19 19 LYS C C 19 176.639 176.639 178.553 -1.914 18806 1219 1 11 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.308 0.179 18806 1220 1 11 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.061 -0.475 18806 1221 1 11 . 1 1 20 20 MET N N 20 118.908 118.908 117.886 1.022 18806 1222 1 11 . 1 1 20 20 MET HA H 20 3.927 3.927 4.214 -0.287 18806 1223 1 11 . 1 1 20 20 MET C C 20 178.910 178.910 178.260 0.650 18806 1224 1 11 . 1 1 20 20 MET CA C 20 58.719 58.719 58.712 0.007 18806 1225 1 11 . 1 1 20 20 MET CB C 20 31.756 31.756 32.559 -0.803 18806 1226 1 11 . 1 1 21 21 ARG N N 21 118.164 118.164 120.245 -2.081 18806 1227 1 11 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.273 -0.368 18806 1228 1 11 . 1 1 21 21 ARG C C 21 179.107 179.107 178.498 0.609 18806 1229 1 11 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.334 -0.527 18806 1230 1 11 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.062 0.039 18806 1231 1 11 . 1 1 22 22 HIS N N 22 117.794 117.794 119.829 -2.035 18806 1232 1 11 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.211 -0.044 18806 1233 1 11 . 1 1 22 22 HIS C C 22 178.014 178.014 177.351 0.663 18806 1234 1 11 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.447 -0.534 18806 1235 1 11 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.475 -1.554 18806 1236 1 11 . 1 1 23 23 LEU N N 23 122.319 122.319 118.934 3.385 18806 1237 1 11 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.052 -0.268 18806 1238 1 11 . 1 1 23 23 LEU C C 23 179.021 179.021 179.126 -0.105 18806 1239 1 11 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.907 0.685 18806 1240 1 11 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.088 0.570 18806 1241 1 11 . 1 1 24 24 GLU N N 24 116.297 116.297 118.147 -1.850 18806 1242 1 11 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.045 -0.053 18806 1243 1 11 . 1 1 24 24 GLU C C 24 178.251 178.251 179.164 -0.913 18806 1244 1 11 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.320 -0.991 18806 1245 1 11 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.509 -0.092 18806 1246 1 11 . 1 1 25 25 THR N N 25 108.890 108.890 112.677 -3.787 18806 1247 1 11 . 1 1 25 25 THR HA H 25 4.010 4.010 4.176 -0.166 18806 1248 1 11 . 1 1 25 25 THR C C 25 175.170 175.170 174.915 0.255 18806 1249 1 11 . 1 1 25 25 THR CA C 25 63.499 63.499 63.914 -0.415 18806 1250 1 11 . 1 1 25 25 THR CB C 25 69.177 69.177 68.461 0.716 18806 1251 1 11 . 1 1 26 26 HIS N N 26 118.044 118.044 117.891 0.153 18806 1252 1 11 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.388 0.079 18806 1253 1 11 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.965 -3.704 18806 1254 1 11 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.542 -1.900 18806 1255 1 12 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.466 -0.319 18806 1256 1 12 . 1 1 3 3 PRO C C 3 176.083 176.083 175.507 0.576 18806 1257 1 12 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.270 1.145 18806 1258 1 12 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.611 -0.734 18806 1259 1 12 . 1 1 4 4 TYR N N 4 117.838 117.838 120.608 -2.770 18806 1260 1 12 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.599 -0.139 18806 1261 1 12 . 1 1 4 4 TYR C C 4 174.569 174.569 175.537 -0.968 18806 1262 1 12 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.317 -0.547 18806 1263 1 12 . 1 1 4 4 TYR CB C 4 38.430 38.430 36.938 1.492 18806 1264 1 12 . 1 1 5 5 GLN N N 5 123.036 123.036 121.595 1.441 18806 1265 1 12 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.654 0.223 18806 1266 1 12 . 1 1 5 5 GLN C C 5 175.122 175.122 175.722 -0.600 18806 1267 1 12 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.075 -0.517 18806 1268 1 12 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.025 2.567 18806 1269 1 12 . 1 1 6 6 CYS N N 6 125.821 125.821 124.022 1.799 18806 1270 1 12 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.726 -0.449 18806 1271 1 12 . 1 1 6 6 CYS C C 6 176.578 176.578 175.711 0.867 18806 1272 1 12 . 1 1 6 6 CYS CA C 6 60.245 60.245 60.233 0.013 18806 1273 1 12 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.305 1.973 18806 1274 1 12 . 1 1 7 7 ASP N N 7 129.841 129.841 128.763 1.078 18806 1275 1 12 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.365 -0.149 18806 1276 1 12 . 1 1 7 7 ASP C C 7 175.676 175.676 175.961 -0.285 18806 1277 1 12 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.726 -0.376 18806 1278 1 12 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.748 -0.005 18806 1279 1 12 . 1 1 8 8 TYR N N 8 119.023 119.023 115.492 3.531 18806 1280 1 12 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.616 -0.376 18806 1281 1 12 . 1 1 8 8 TYR C C 8 176.440 176.440 176.337 0.103 18806 1282 1 12 . 1 1 8 8 TYR CA C 8 59.546 59.546 59.200 0.346 18806 1283 1 12 . 1 1 8 8 TYR CB C 8 38.060 38.060 39.172 -1.112 18806 1284 1 12 . 1 1 9 9 CYS N N 9 115.815 115.815 115.626 0.189 18806 1285 1 12 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.757 0.281 18806 1286 1 12 . 1 1 9 9 CYS C C 9 175.815 175.815 175.927 -0.112 18806 1287 1 12 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.921 -1.611 18806 1288 1 12 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.177 2.096 18806 1289 1 12 . 1 1 10 10 GLY N N 10 111.402 111.402 108.602 2.800 18806 1290 1 12 . 1 1 10 10 GLY C C 10 173.932 173.932 173.320 0.612 18806 1291 1 12 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.386 0.653 18806 1292 1 12 . 1 1 11 11 ARG N N 11 122.427 122.427 121.057 1.370 18806 1293 1 12 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.130 -0.202 18806 1294 1 12 . 1 1 11 11 ARG C C 11 174.220 174.220 174.929 -0.709 18806 1295 1 12 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.886 2.716 18806 1296 1 12 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.494 0.754 18806 1297 1 12 . 1 1 12 12 SER N N 12 115.605 115.605 122.300 -6.695 18806 1298 1 12 . 1 1 12 12 SER HA H 12 4.896 4.896 4.454 0.442 18806 1299 1 12 . 1 1 12 12 SER C C 12 172.775 172.775 173.910 -1.135 18806 1300 1 12 . 1 1 12 12 SER CA C 12 57.311 57.311 57.327 -0.016 18806 1301 1 12 . 1 1 12 12 SER CB C 12 65.516 65.516 62.856 2.660 18806 1302 1 12 . 1 1 13 13 PHE N N 13 118.534 118.534 125.309 -6.775 18806 1303 1 12 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.616 -0.025 18806 1304 1 12 . 1 1 13 13 PHE C C 13 175.330 175.330 176.136 -0.806 18806 1305 1 12 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.627 -0.258 18806 1306 1 12 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.025 3.418 18806 1307 1 12 . 1 1 14 14 SER N N 14 114.545 114.545 117.738 -3.193 18806 1308 1 12 . 1 1 14 14 SER HA H 14 4.491 4.491 4.582 -0.091 18806 1309 1 12 . 1 1 14 14 SER C C 14 173.113 173.113 173.569 -0.456 18806 1310 1 12 . 1 1 14 14 SER CA C 14 59.545 59.545 59.775 -0.230 18806 1311 1 12 . 1 1 14 14 SER CB C 14 64.037 64.037 63.721 0.316 18806 1312 1 12 . 1 1 15 15 ASP N N 15 117.860 117.860 121.877 -4.017 18806 1313 1 12 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.069 -0.365 18806 1314 1 12 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.922 -0.225 18806 1315 1 12 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.207 -0.863 18806 1316 1 12 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.703 -0.147 18806 1317 1 12 . 1 1 16 16 PRO C C 16 178.801 178.801 177.482 1.319 18806 1318 1 12 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.146 -0.769 18806 1319 1 12 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.480 0.088 18806 1320 1 12 . 1 1 17 17 THR N N 17 117.621 117.621 112.715 4.906 18806 1321 1 12 . 1 1 17 17 THR HA H 17 3.759 3.759 4.059 -0.300 18806 1322 1 12 . 1 1 17 17 THR C C 17 176.424 176.424 176.507 -0.083 18806 1323 1 12 . 1 1 17 17 THR CA C 17 66.554 66.554 66.742 -0.188 18806 1324 1 12 . 1 1 17 17 THR CB C 17 67.664 67.664 68.115 -0.451 18806 1325 1 12 . 1 1 18 18 SER N N 18 119.883 119.883 116.438 3.445 18806 1326 1 12 . 1 1 18 18 SER HA H 18 3.871 3.871 4.298 -0.427 18806 1327 1 12 . 1 1 18 18 SER C C 18 177.038 177.038 176.022 1.016 18806 1328 1 12 . 1 1 18 18 SER CA C 18 61.906 61.906 61.226 0.680 18806 1329 1 12 . 1 1 18 18 SER CB C 18 61.877 61.877 62.779 -0.902 18806 1330 1 12 . 1 1 19 19 LYS N N 19 121.563 121.563 121.178 0.385 18806 1331 1 12 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.484 -0.871 18806 1332 1 12 . 1 1 19 19 LYS C C 19 176.639 176.639 177.960 -1.321 18806 1333 1 12 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.826 0.661 18806 1334 1 12 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.321 -0.735 18806 1335 1 12 . 1 1 20 20 MET N N 20 118.908 118.908 118.731 0.177 18806 1336 1 12 . 1 1 20 20 MET HA H 20 3.927 3.927 4.401 -0.474 18806 1337 1 12 . 1 1 20 20 MET C C 20 178.910 178.910 178.152 0.758 18806 1338 1 12 . 1 1 20 20 MET CA C 20 58.719 58.719 56.628 2.091 18806 1339 1 12 . 1 1 20 20 MET CB C 20 31.756 31.756 32.539 -0.783 18806 1340 1 12 . 1 1 21 21 ARG N N 21 118.164 118.164 119.634 -1.470 18806 1341 1 12 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.977 -0.072 18806 1342 1 12 . 1 1 21 21 ARG C C 21 179.107 179.107 178.435 0.672 18806 1343 1 12 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.873 -1.066 18806 1344 1 12 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.941 0.160 18806 1345 1 12 . 1 1 22 22 HIS N N 22 117.794 117.794 119.772 -1.978 18806 1346 1 12 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.219 -0.052 18806 1347 1 12 . 1 1 22 22 HIS C C 22 178.014 178.014 176.537 1.477 18806 1348 1 12 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.473 -0.561 18806 1349 1 12 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.598 -1.677 18806 1350 1 12 . 1 1 23 23 LEU N N 23 122.319 122.319 118.459 3.860 18806 1351 1 12 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.335 -0.551 18806 1352 1 12 . 1 1 23 23 LEU C C 23 179.021 179.021 179.323 -0.302 18806 1353 1 12 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.884 0.708 18806 1354 1 12 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.250 -0.592 18806 1355 1 12 . 1 1 24 24 GLU N N 24 116.297 116.297 120.037 -3.740 18806 1356 1 12 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.117 -0.125 18806 1357 1 12 . 1 1 24 24 GLU C C 24 178.251 178.251 178.692 -0.441 18806 1358 1 12 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.027 -0.698 18806 1359 1 12 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.370 0.047 18806 1360 1 12 . 1 1 25 25 THR N N 25 108.890 108.890 114.297 -5.407 18806 1361 1 12 . 1 1 25 25 THR HA H 25 4.010 4.010 4.154 -0.144 18806 1362 1 12 . 1 1 25 25 THR C C 25 175.170 175.170 174.773 0.397 18806 1363 1 12 . 1 1 25 25 THR CA C 25 63.499 63.499 63.645 -0.146 18806 1364 1 12 . 1 1 25 25 THR CB C 25 69.177 69.177 68.479 0.698 18806 1365 1 12 . 1 1 26 26 HIS N N 26 118.044 118.044 119.493 -1.449 18806 1366 1 12 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.272 0.195 18806 1367 1 12 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.796 -3.535 18806 1368 1 12 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.547 -0.905 18806 1369 1 13 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.483 -0.336 18806 1370 1 13 . 1 1 3 3 PRO C C 3 176.083 176.083 175.424 0.659 18806 1371 1 13 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.269 1.146 18806 1372 1 13 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.764 0.113 18806 1373 1 13 . 1 1 4 4 TYR N N 4 117.838 117.838 124.422 -6.584 18806 1374 1 13 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.618 -0.158 18806 1375 1 13 . 1 1 4 4 TYR C C 4 174.569 174.569 175.283 -0.714 18806 1376 1 13 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.573 0.197 18806 1377 1 13 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.526 -0.096 18806 1378 1 13 . 1 1 5 5 GLN N N 5 123.036 123.036 123.725 -0.689 18806 1379 1 13 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.464 0.413 18806 1380 1 13 . 1 1 5 5 GLN C C 5 175.122 175.122 175.095 0.027 18806 1381 1 13 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.099 0.459 18806 1382 1 13 . 1 1 5 5 GLN CB C 5 31.592 31.592 28.974 2.618 18806 1383 1 13 . 1 1 6 6 CYS N N 6 125.821 125.821 124.267 1.554 18806 1384 1 13 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.639 -0.362 18806 1385 1 13 . 1 1 6 6 CYS C C 6 176.578 176.578 175.293 1.285 18806 1386 1 13 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.022 1.223 18806 1387 1 13 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.634 1.644 18806 1388 1 13 . 1 1 7 7 ASP N N 7 129.841 129.841 130.151 -0.310 18806 1389 1 13 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.393 -0.177 18806 1390 1 13 . 1 1 7 7 ASP C C 7 175.676 175.676 176.037 -0.361 18806 1391 1 13 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.435 -0.085 18806 1392 1 13 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.363 0.380 18806 1393 1 13 . 1 1 8 8 TYR N N 8 119.023 119.023 116.521 2.502 18806 1394 1 13 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.601 -0.361 18806 1395 1 13 . 1 1 8 8 TYR C C 8 176.440 176.440 176.310 0.130 18806 1396 1 13 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.783 0.763 18806 1397 1 13 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.984 -0.924 18806 1398 1 13 . 1 1 9 9 CYS N N 9 115.815 115.815 117.496 -1.681 18806 1399 1 13 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.858 0.180 18806 1400 1 13 . 1 1 9 9 CYS C C 9 175.815 175.815 175.985 -0.170 18806 1401 1 13 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.297 -1.987 18806 1402 1 13 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.858 1.415 18806 1403 1 13 . 1 1 10 10 GLY N N 10 111.402 111.402 108.893 2.509 18806 1404 1 13 . 1 1 10 10 GLY C C 10 173.932 173.932 173.363 0.569 18806 1405 1 13 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.215 0.824 18806 1406 1 13 . 1 1 11 11 ARG N N 11 122.427 122.427 121.516 0.911 18806 1407 1 13 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.311 -0.383 18806 1408 1 13 . 1 1 11 11 ARG C C 11 174.220 174.220 174.799 -0.579 18806 1409 1 13 . 1 1 11 11 ARG CA C 11 57.602 57.602 53.873 3.729 18806 1410 1 13 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.004 0.244 18806 1411 1 13 . 1 1 12 12 SER N N 12 115.605 115.605 121.694 -6.089 18806 1412 1 13 . 1 1 12 12 SER HA H 12 4.896 4.896 4.292 0.604 18806 1413 1 13 . 1 1 12 12 SER C C 12 172.775 172.775 173.299 -0.524 18806 1414 1 13 . 1 1 12 12 SER CA C 12 57.311 57.311 58.324 -1.013 18806 1415 1 13 . 1 1 12 12 SER CB C 12 65.516 65.516 63.641 1.875 18806 1416 1 13 . 1 1 13 13 PHE N N 13 118.534 118.534 124.957 -6.423 18806 1417 1 13 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.723 -0.132 18806 1418 1 13 . 1 1 13 13 PHE C C 13 175.330 175.330 176.283 -0.953 18806 1419 1 13 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.850 0.519 18806 1420 1 13 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.668 3.775 18806 1421 1 13 . 1 1 14 14 SER N N 14 114.545 114.545 117.069 -2.524 18806 1422 1 13 . 1 1 14 14 SER HA H 14 4.491 4.491 4.475 0.016 18806 1423 1 13 . 1 1 14 14 SER C C 14 173.113 173.113 173.804 -0.691 18806 1424 1 13 . 1 1 14 14 SER CA C 14 59.545 59.545 59.435 0.110 18806 1425 1 13 . 1 1 14 14 SER CB C 14 64.037 64.037 63.798 0.239 18806 1426 1 13 . 1 1 15 15 ASP N N 15 117.860 117.860 120.972 -3.112 18806 1427 1 13 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.251 -0.547 18806 1428 1 13 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.906 -0.209 18806 1429 1 13 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.345 -1.001 18806 1430 1 13 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.104 -0.548 18806 1431 1 13 . 1 1 16 16 PRO C C 16 178.801 178.801 177.904 0.897 18806 1432 1 13 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.164 -0.787 18806 1433 1 13 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.777 -0.209 18806 1434 1 13 . 1 1 17 17 THR N N 17 117.621 117.621 111.526 6.095 18806 1435 1 13 . 1 1 17 17 THR HA H 17 3.759 3.759 4.198 -0.439 18806 1436 1 13 . 1 1 17 17 THR C C 17 176.424 176.424 176.709 -0.285 18806 1437 1 13 . 1 1 17 17 THR CA C 17 66.554 66.554 64.916 1.638 18806 1438 1 13 . 1 1 17 17 THR CB C 17 67.664 67.664 68.674 -1.010 18806 1439 1 13 . 1 1 18 18 SER N N 18 119.883 119.883 117.375 2.508 18806 1440 1 13 . 1 1 18 18 SER HA H 18 3.871 3.871 4.288 -0.417 18806 1441 1 13 . 1 1 18 18 SER C C 18 177.038 177.038 176.085 0.953 18806 1442 1 13 . 1 1 18 18 SER CA C 18 61.906 61.906 61.523 0.383 18806 1443 1 13 . 1 1 18 18 SER CB C 18 61.877 61.877 62.952 -1.075 18806 1444 1 13 . 1 1 19 19 LYS N N 19 121.563 121.563 121.750 -0.187 18806 1445 1 13 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.866 -1.253 18806 1446 1 13 . 1 1 19 19 LYS C C 19 176.639 176.639 178.356 -1.717 18806 1447 1 13 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.909 0.578 18806 1448 1 13 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.433 -0.847 18806 1449 1 13 . 1 1 20 20 MET N N 20 118.908 118.908 119.852 -0.944 18806 1450 1 13 . 1 1 20 20 MET HA H 20 3.927 3.927 4.365 -0.438 18806 1451 1 13 . 1 1 20 20 MET C C 20 178.910 178.910 178.001 0.909 18806 1452 1 13 . 1 1 20 20 MET CA C 20 58.719 58.719 56.970 1.749 18806 1453 1 13 . 1 1 20 20 MET CB C 20 31.756 31.756 32.280 -0.524 18806 1454 1 13 . 1 1 21 21 ARG N N 21 118.164 118.164 119.627 -1.463 18806 1455 1 13 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.906 -0.001 18806 1456 1 13 . 1 1 21 21 ARG C C 21 179.107 179.107 178.435 0.672 18806 1457 1 13 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.896 -1.089 18806 1458 1 13 . 1 1 21 21 ARG CB C 21 30.101 30.101 30.189 -0.088 18806 1459 1 13 . 1 1 22 22 HIS N N 22 117.794 117.794 118.981 -1.187 18806 1460 1 13 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.270 -0.103 18806 1461 1 13 . 1 1 22 22 HIS C C 22 178.014 178.014 177.490 0.524 18806 1462 1 13 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.648 -0.736 18806 1463 1 13 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.546 -1.625 18806 1464 1 13 . 1 1 23 23 LEU N N 23 122.319 122.319 118.748 3.571 18806 1465 1 13 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.304 -0.520 18806 1466 1 13 . 1 1 23 23 LEU C C 23 179.021 179.021 178.334 0.687 18806 1467 1 13 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.872 0.720 18806 1468 1 13 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.116 -0.458 18806 1469 1 13 . 1 1 24 24 GLU N N 24 116.297 116.297 117.950 -1.653 18806 1470 1 13 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.125 -0.133 18806 1471 1 13 . 1 1 24 24 GLU C C 24 178.251 178.251 179.265 -1.014 18806 1472 1 13 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.173 -0.844 18806 1473 1 13 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.784 -0.367 18806 1474 1 13 . 1 1 25 25 THR N N 25 108.890 108.890 114.728 -5.838 18806 1475 1 13 . 1 1 25 25 THR HA H 25 4.010 4.010 4.060 -0.050 18806 1476 1 13 . 1 1 25 25 THR C C 25 175.170 175.170 174.676 0.494 18806 1477 1 13 . 1 1 25 25 THR CA C 25 63.499 63.499 65.429 -1.930 18806 1478 1 13 . 1 1 25 25 THR CB C 25 69.177 69.177 68.437 0.740 18806 1479 1 13 . 1 1 26 26 HIS N N 26 118.044 118.044 117.440 0.604 18806 1480 1 13 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.385 0.082 18806 1481 1 13 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.385 -2.124 18806 1482 1 13 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.565 -0.923 18806 1483 1 14 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.527 -0.380 18806 1484 1 14 . 1 1 3 3 PRO C C 3 176.083 176.083 175.584 0.499 18806 1485 1 14 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.106 1.308 18806 1486 1 14 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.222 -0.345 18806 1487 1 14 . 1 1 4 4 TYR N N 4 117.838 117.838 119.898 -2.060 18806 1488 1 14 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.762 -0.302 18806 1489 1 14 . 1 1 4 4 TYR C C 4 174.569 174.569 175.336 -0.767 18806 1490 1 14 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.817 -0.047 18806 1491 1 14 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.099 -0.669 18806 1492 1 14 . 1 1 5 5 GLN N N 5 123.036 123.036 123.289 -0.253 18806 1493 1 14 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.793 0.084 18806 1494 1 14 . 1 1 5 5 GLN C C 5 175.122 175.122 174.667 0.455 18806 1495 1 14 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.651 -0.093 18806 1496 1 14 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.110 1.482 18806 1497 1 14 . 1 1 6 6 CYS N N 6 125.821 125.821 121.982 3.839 18806 1498 1 14 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.829 -0.552 18806 1499 1 14 . 1 1 6 6 CYS C C 6 176.578 176.578 175.281 1.297 18806 1500 1 14 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.158 1.087 18806 1501 1 14 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.545 1.733 18806 1502 1 14 . 1 1 7 7 ASP N N 7 129.841 129.841 129.050 0.791 18806 1503 1 14 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.374 -0.158 18806 1504 1 14 . 1 1 7 7 ASP C C 7 175.676 175.676 175.913 -0.237 18806 1505 1 14 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.410 -0.060 18806 1506 1 14 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.620 0.123 18806 1507 1 14 . 1 1 8 8 TYR N N 8 119.023 119.023 116.042 2.981 18806 1508 1 14 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.634 -0.394 18806 1509 1 14 . 1 1 8 8 TYR C C 8 176.440 176.440 176.249 0.191 18806 1510 1 14 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.318 1.228 18806 1511 1 14 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.695 -0.635 18806 1512 1 14 . 1 1 9 9 CYS N N 9 115.815 115.815 117.332 -1.517 18806 1513 1 14 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.806 0.232 18806 1514 1 14 . 1 1 9 9 CYS C C 9 175.815 175.815 176.083 -0.268 18806 1515 1 14 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.119 -1.809 18806 1516 1 14 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.713 1.560 18806 1517 1 14 . 1 1 10 10 GLY N N 10 111.402 111.402 109.120 2.282 18806 1518 1 14 . 1 1 10 10 GLY C C 10 173.932 173.932 173.492 0.440 18806 1519 1 14 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.324 0.715 18806 1520 1 14 . 1 1 11 11 ARG N N 11 122.427 122.427 121.667 0.760 18806 1521 1 14 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.188 -0.260 18806 1522 1 14 . 1 1 11 11 ARG C C 11 174.220 174.220 174.788 -0.568 18806 1523 1 14 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.258 3.344 18806 1524 1 14 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.746 0.502 18806 1525 1 14 . 1 1 12 12 SER N N 12 115.605 115.605 119.893 -4.288 18806 1526 1 14 . 1 1 12 12 SER HA H 12 4.896 4.896 4.449 0.447 18806 1527 1 14 . 1 1 12 12 SER C C 12 172.775 172.775 173.575 -0.800 18806 1528 1 14 . 1 1 12 12 SER CA C 12 57.311 57.311 57.233 0.078 18806 1529 1 14 . 1 1 12 12 SER CB C 12 65.516 65.516 63.582 1.934 18806 1530 1 14 . 1 1 13 13 PHE N N 13 118.534 118.534 124.677 -6.143 18806 1531 1 14 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.786 -0.195 18806 1532 1 14 . 1 1 13 13 PHE C C 13 175.330 175.330 176.796 -1.466 18806 1533 1 14 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.255 0.114 18806 1534 1 14 . 1 1 13 13 PHE CB C 13 43.443 43.443 41.343 2.100 18806 1535 1 14 . 1 1 14 14 SER N N 14 114.545 114.545 115.899 -1.354 18806 1536 1 14 . 1 1 14 14 SER HA H 14 4.491 4.491 4.671 -0.180 18806 1537 1 14 . 1 1 14 14 SER C C 14 173.113 173.113 173.657 -0.544 18806 1538 1 14 . 1 1 14 14 SER CA C 14 59.545 59.545 58.658 0.887 18806 1539 1 14 . 1 1 14 14 SER CB C 14 64.037 64.037 63.464 0.573 18806 1540 1 14 . 1 1 15 15 ASP N N 15 117.860 117.860 122.827 -4.967 18806 1541 1 14 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.080 -0.376 18806 1542 1 14 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.860 -0.163 18806 1543 1 14 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.853 -0.509 18806 1544 1 14 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.541 0.016 18806 1545 1 14 . 1 1 16 16 PRO C C 16 178.801 178.801 177.662 1.139 18806 1546 1 14 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.764 -0.387 18806 1547 1 14 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.695 -0.127 18806 1548 1 14 . 1 1 17 17 THR N N 17 117.621 117.621 112.776 4.845 18806 1549 1 14 . 1 1 17 17 THR HA H 17 3.759 3.759 4.077 -0.318 18806 1550 1 14 . 1 1 17 17 THR C C 17 176.424 176.424 176.379 0.045 18806 1551 1 14 . 1 1 17 17 THR CA C 17 66.554 66.554 66.566 -0.012 18806 1552 1 14 . 1 1 17 17 THR CB C 17 67.664 67.664 68.305 -0.641 18806 1553 1 14 . 1 1 18 18 SER N N 18 119.883 119.883 117.973 1.910 18806 1554 1 14 . 1 1 18 18 SER HA H 18 3.871 3.871 4.253 -0.382 18806 1555 1 14 . 1 1 18 18 SER C C 18 177.038 177.038 176.030 1.008 18806 1556 1 14 . 1 1 18 18 SER CA C 18 61.906 61.906 61.442 0.464 18806 1557 1 14 . 1 1 18 18 SER CB C 18 61.877 61.877 62.382 -0.505 18806 1558 1 14 . 1 1 19 19 LYS N N 19 121.563 121.563 121.195 0.368 18806 1559 1 14 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.642 -1.029 18806 1560 1 14 . 1 1 19 19 LYS C C 19 176.639 176.639 178.075 -1.436 18806 1561 1 14 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.865 0.622 18806 1562 1 14 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.283 -0.697 18806 1563 1 14 . 1 1 20 20 MET N N 20 118.908 118.908 119.489 -0.581 18806 1564 1 14 . 1 1 20 20 MET HA H 20 3.927 3.927 4.399 -0.472 18806 1565 1 14 . 1 1 20 20 MET C C 20 178.910 178.910 177.858 1.052 18806 1566 1 14 . 1 1 20 20 MET CA C 20 58.719 58.719 57.143 1.576 18806 1567 1 14 . 1 1 20 20 MET CB C 20 31.756 31.756 32.465 -0.709 18806 1568 1 14 . 1 1 21 21 ARG N N 21 118.164 118.164 118.907 -0.743 18806 1569 1 14 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.988 -0.083 18806 1570 1 14 . 1 1 21 21 ARG C C 21 179.107 179.107 178.785 0.322 18806 1571 1 14 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.627 -0.820 18806 1572 1 14 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.928 0.173 18806 1573 1 14 . 1 1 22 22 HIS N N 22 117.794 117.794 120.649 -2.855 18806 1574 1 14 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.373 -0.206 18806 1575 1 14 . 1 1 22 22 HIS C C 22 178.014 178.014 177.173 0.841 18806 1576 1 14 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.559 -0.647 18806 1577 1 14 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.749 -1.828 18806 1578 1 14 . 1 1 23 23 LEU N N 23 122.319 122.319 117.894 4.425 18806 1579 1 14 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.389 -0.605 18806 1580 1 14 . 1 1 23 23 LEU C C 23 179.021 179.021 178.718 0.303 18806 1581 1 14 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.897 0.695 18806 1582 1 14 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.291 -0.633 18806 1583 1 14 . 1 1 24 24 GLU N N 24 116.297 116.297 118.089 -1.792 18806 1584 1 14 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.205 -0.213 18806 1585 1 14 . 1 1 24 24 GLU C C 24 178.251 178.251 177.601 0.650 18806 1586 1 14 . 1 1 24 24 GLU CA C 24 58.329 58.329 58.919 -0.590 18806 1587 1 14 . 1 1 24 24 GLU CB C 24 29.417 29.417 30.276 -0.859 18806 1588 1 14 . 1 1 25 25 THR N N 25 108.890 108.890 110.259 -1.369 18806 1589 1 14 . 1 1 25 25 THR HA H 25 4.010 4.010 4.303 -0.293 18806 1590 1 14 . 1 1 25 25 THR C C 25 175.170 175.170 176.097 -0.927 18806 1591 1 14 . 1 1 25 25 THR CA C 25 63.499 63.499 63.331 0.168 18806 1592 1 14 . 1 1 25 25 THR CB C 25 69.177 69.177 68.818 0.359 18806 1593 1 14 . 1 1 26 26 HIS N N 26 118.044 118.044 121.733 -3.689 18806 1594 1 14 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.439 0.028 18806 1595 1 14 . 1 1 26 26 HIS CA C 26 55.261 55.261 56.633 -1.371 18806 1596 1 14 . 1 1 26 26 HIS CB C 26 28.642 28.642 28.190 0.452 18806 1597 1 15 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.595 -0.448 18806 1598 1 15 . 1 1 3 3 PRO C C 3 176.083 176.083 175.635 0.448 18806 1599 1 15 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.315 1.100 18806 1600 1 15 . 1 1 3 3 PRO CB C 3 31.877 31.877 31.964 -0.087 18806 1601 1 15 . 1 1 4 4 TYR N N 4 117.838 117.838 124.069 -6.231 18806 1602 1 15 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.708 -0.248 18806 1603 1 15 . 1 1 4 4 TYR C C 4 174.569 174.569 175.327 -0.758 18806 1604 1 15 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.929 -0.159 18806 1605 1 15 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.698 -2.268 18806 1606 1 15 . 1 1 5 5 GLN N N 5 123.036 123.036 122.706 0.330 18806 1607 1 15 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.435 0.442 18806 1608 1 15 . 1 1 5 5 GLN C C 5 175.122 175.122 175.327 -0.205 18806 1609 1 15 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.913 -1.355 18806 1610 1 15 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.397 2.195 18806 1611 1 15 . 1 1 6 6 CYS N N 6 125.821 125.821 125.784 0.037 18806 1612 1 15 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.587 -0.310 18806 1613 1 15 . 1 1 6 6 CYS C C 6 176.578 176.578 175.495 1.083 18806 1614 1 15 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.285 0.960 18806 1615 1 15 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.779 1.499 18806 1616 1 15 . 1 1 7 7 ASP N N 7 129.841 129.841 129.637 0.204 18806 1617 1 15 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.392 -0.176 18806 1618 1 15 . 1 1 7 7 ASP C C 7 175.676 175.676 176.244 -0.568 18806 1619 1 15 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.470 -0.120 18806 1620 1 15 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.488 0.255 18806 1621 1 15 . 1 1 8 8 TYR N N 8 119.023 119.023 116.073 2.950 18806 1622 1 15 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.717 -0.477 18806 1623 1 15 . 1 1 8 8 TYR C C 8 176.440 176.440 176.458 -0.018 18806 1624 1 15 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.379 1.167 18806 1625 1 15 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.589 -0.529 18806 1626 1 15 . 1 1 9 9 CYS N N 9 115.815 115.815 118.257 -2.442 18806 1627 1 15 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.822 0.216 18806 1628 1 15 . 1 1 9 9 CYS C C 9 175.815 175.815 176.215 -0.400 18806 1629 1 15 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.489 -2.179 18806 1630 1 15 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.940 2.333 18806 1631 1 15 . 1 1 10 10 GLY N N 10 111.402 111.402 109.319 2.083 18806 1632 1 15 . 1 1 10 10 GLY C C 10 173.932 173.932 173.263 0.669 18806 1633 1 15 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.311 0.728 18806 1634 1 15 . 1 1 11 11 ARG N N 11 122.427 122.427 120.689 1.738 18806 1635 1 15 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.426 -0.498 18806 1636 1 15 . 1 1 11 11 ARG C C 11 174.220 174.220 174.285 -0.065 18806 1637 1 15 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.431 3.171 18806 1638 1 15 . 1 1 11 11 ARG CB C 11 31.248 31.248 32.209 -0.961 18806 1639 1 15 . 1 1 12 12 SER N N 12 115.605 115.605 121.781 -6.176 18806 1640 1 15 . 1 1 12 12 SER HA H 12 4.896 4.896 4.587 0.309 18806 1641 1 15 . 1 1 12 12 SER C C 12 172.775 172.775 173.667 -0.892 18806 1642 1 15 . 1 1 12 12 SER CA C 12 57.311 57.311 58.415 -1.104 18806 1643 1 15 . 1 1 12 12 SER CB C 12 65.516 65.516 63.233 2.283 18806 1644 1 15 . 1 1 13 13 PHE N N 13 118.534 118.534 126.398 -7.864 18806 1645 1 15 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.640 -0.049 18806 1646 1 15 . 1 1 13 13 PHE C C 13 175.330 175.330 176.326 -0.996 18806 1647 1 15 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.811 0.558 18806 1648 1 15 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.694 3.749 18806 1649 1 15 . 1 1 14 14 SER N N 14 114.545 114.545 118.011 -3.466 18806 1650 1 15 . 1 1 14 14 SER HA H 14 4.491 4.491 4.460 0.031 18806 1651 1 15 . 1 1 14 14 SER C C 14 173.113 173.113 172.953 0.160 18806 1652 1 15 . 1 1 14 14 SER CA C 14 59.545 59.545 58.362 1.183 18806 1653 1 15 . 1 1 14 14 SER CB C 14 64.037 64.037 62.881 1.156 18806 1654 1 15 . 1 1 15 15 ASP N N 15 117.860 117.860 122.900 -5.040 18806 1655 1 15 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.141 -0.437 18806 1656 1 15 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.239 -0.542 18806 1657 1 15 . 1 1 15 15 ASP CB C 15 42.344 42.344 41.907 0.437 18806 1658 1 15 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.372 -0.816 18806 1659 1 15 . 1 1 16 16 PRO C C 16 178.801 178.801 177.730 1.071 18806 1660 1 15 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.664 -1.287 18806 1661 1 15 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.105 -0.537 18806 1662 1 15 . 1 1 17 17 THR N N 17 117.621 117.621 112.061 5.560 18806 1663 1 15 . 1 1 17 17 THR HA H 17 3.759 3.759 4.227 -0.468 18806 1664 1 15 . 1 1 17 17 THR C C 17 176.424 176.424 176.041 0.383 18806 1665 1 15 . 1 1 17 17 THR CA C 17 66.554 66.554 65.558 0.996 18806 1666 1 15 . 1 1 17 17 THR CB C 17 67.664 67.664 68.762 -1.098 18806 1667 1 15 . 1 1 18 18 SER N N 18 119.883 119.883 118.021 1.862 18806 1668 1 15 . 1 1 18 18 SER HA H 18 3.871 3.871 4.293 -0.422 18806 1669 1 15 . 1 1 18 18 SER C C 18 177.038 177.038 175.892 1.146 18806 1670 1 15 . 1 1 18 18 SER CA C 18 61.906 61.906 61.138 0.768 18806 1671 1 15 . 1 1 18 18 SER CB C 18 61.877 61.877 62.977 -1.100 18806 1672 1 15 . 1 1 19 19 LYS N N 19 121.563 121.563 121.975 -0.412 18806 1673 1 15 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.720 -1.107 18806 1674 1 15 . 1 1 19 19 LYS C C 19 176.639 176.639 178.044 -1.405 18806 1675 1 15 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.035 0.452 18806 1676 1 15 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.432 -0.846 18806 1677 1 15 . 1 1 20 20 MET N N 20 118.908 118.908 119.571 -0.663 18806 1678 1 15 . 1 1 20 20 MET HA H 20 3.927 3.927 4.256 -0.329 18806 1679 1 15 . 1 1 20 20 MET C C 20 178.910 178.910 178.119 0.791 18806 1680 1 15 . 1 1 20 20 MET CA C 20 58.719 58.719 58.205 0.514 18806 1681 1 15 . 1 1 20 20 MET CB C 20 31.756 31.756 31.879 -0.123 18806 1682 1 15 . 1 1 21 21 ARG N N 21 118.164 118.164 118.004 0.160 18806 1683 1 15 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.996 -0.091 18806 1684 1 15 . 1 1 21 21 ARG C C 21 179.107 179.107 178.415 0.692 18806 1685 1 15 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.520 -0.714 18806 1686 1 15 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.861 0.240 18806 1687 1 15 . 1 1 22 22 HIS N N 22 117.794 117.794 120.728 -2.934 18806 1688 1 15 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.245 -0.078 18806 1689 1 15 . 1 1 22 22 HIS C C 22 178.014 178.014 177.104 0.910 18806 1690 1 15 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.927 -1.015 18806 1691 1 15 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.587 -1.665 18806 1692 1 15 . 1 1 23 23 LEU N N 23 122.319 122.319 119.862 2.457 18806 1693 1 15 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.187 -0.403 18806 1694 1 15 . 1 1 23 23 LEU C C 23 179.021 179.021 179.089 -0.068 18806 1695 1 15 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.932 0.659 18806 1696 1 15 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.294 0.364 18806 1697 1 15 . 1 1 24 24 GLU N N 24 116.297 116.297 116.583 -0.286 18806 1698 1 15 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.050 -0.058 18806 1699 1 15 . 1 1 24 24 GLU C C 24 178.251 178.251 179.132 -0.881 18806 1700 1 15 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.056 -0.727 18806 1701 1 15 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.134 0.284 18806 1702 1 15 . 1 1 25 25 THR N N 25 108.890 108.890 114.194 -5.304 18806 1703 1 15 . 1 1 25 25 THR HA H 25 4.010 4.010 4.173 -0.163 18806 1704 1 15 . 1 1 25 25 THR C C 25 175.170 175.170 175.801 -0.631 18806 1705 1 15 . 1 1 25 25 THR CA C 25 63.499 63.499 65.351 -1.852 18806 1706 1 15 . 1 1 25 25 THR CB C 25 69.177 69.177 69.395 -0.218 18806 1707 1 15 . 1 1 26 26 HIS N N 26 118.044 118.044 115.532 2.512 18806 1708 1 15 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.693 -0.226 18806 1709 1 15 . 1 1 26 26 HIS CA C 26 55.261 55.261 55.224 0.037 18806 1710 1 15 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.951 -1.309 18806 1711 1 16 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.486 -0.339 18806 1712 1 16 . 1 1 3 3 PRO C C 3 176.083 176.083 175.542 0.541 18806 1713 1 16 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.340 1.075 18806 1714 1 16 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.626 -0.749 18806 1715 1 16 . 1 1 4 4 TYR N N 4 117.838 117.838 120.691 -2.853 18806 1716 1 16 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.645 -0.185 18806 1717 1 16 . 1 1 4 4 TYR C C 4 174.569 174.569 175.476 -0.907 18806 1718 1 16 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.025 -0.255 18806 1719 1 16 . 1 1 4 4 TYR CB C 4 38.430 38.430 37.567 0.863 18806 1720 1 16 . 1 1 5 5 GLN N N 5 123.036 123.036 124.462 -1.426 18806 1721 1 16 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.902 -0.025 18806 1722 1 16 . 1 1 5 5 GLN C C 5 175.122 175.122 175.001 0.121 18806 1723 1 16 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.638 -1.080 18806 1724 1 16 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.611 0.981 18806 1725 1 16 . 1 1 6 6 CYS N N 6 125.821 125.821 125.949 -0.128 18806 1726 1 16 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.692 -0.415 18806 1727 1 16 . 1 1 6 6 CYS C C 6 176.578 176.578 175.234 1.344 18806 1728 1 16 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.521 0.724 18806 1729 1 16 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.743 1.535 18806 1730 1 16 . 1 1 7 7 ASP N N 7 129.841 129.841 129.865 -0.024 18806 1731 1 16 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.473 -0.257 18806 1732 1 16 . 1 1 7 7 ASP C C 7 175.676 175.676 176.044 -0.368 18806 1733 1 16 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.602 -0.252 18806 1734 1 16 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.470 0.273 18806 1735 1 16 . 1 1 8 8 TYR N N 8 119.023 119.023 115.477 3.546 18806 1736 1 16 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.816 -0.576 18806 1737 1 16 . 1 1 8 8 TYR C C 8 176.440 176.440 176.022 0.418 18806 1738 1 16 . 1 1 8 8 TYR CA C 8 59.546 59.546 57.545 2.001 18806 1739 1 16 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.885 -0.825 18806 1740 1 16 . 1 1 9 9 CYS N N 9 115.815 115.815 116.418 -0.603 18806 1741 1 16 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.817 0.221 18806 1742 1 16 . 1 1 9 9 CYS C C 9 175.815 175.815 175.843 -0.028 18806 1743 1 16 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.638 -1.328 18806 1744 1 16 . 1 1 9 9 CYS CB C 9 32.273 32.273 31.169 1.105 18806 1745 1 16 . 1 1 10 10 GLY N N 10 111.402 111.402 109.553 1.849 18806 1746 1 16 . 1 1 10 10 GLY C C 10 173.932 173.932 173.490 0.442 18806 1747 1 16 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.368 0.671 18806 1748 1 16 . 1 1 11 11 ARG N N 11 122.427 122.427 121.234 1.193 18806 1749 1 16 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.324 -0.396 18806 1750 1 16 . 1 1 11 11 ARG C C 11 174.220 174.220 174.915 -0.695 18806 1751 1 16 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.347 2.255 18806 1752 1 16 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.430 -0.182 18806 1753 1 16 . 1 1 12 12 SER N N 12 115.605 115.605 119.633 -4.028 18806 1754 1 16 . 1 1 12 12 SER HA H 12 4.896 4.896 4.871 0.025 18806 1755 1 16 . 1 1 12 12 SER C C 12 172.775 172.775 173.934 -1.159 18806 1756 1 16 . 1 1 12 12 SER CA C 12 57.311 57.311 57.283 0.028 18806 1757 1 16 . 1 1 12 12 SER CB C 12 65.516 65.516 63.428 2.087 18806 1758 1 16 . 1 1 13 13 PHE N N 13 118.534 118.534 125.574 -7.040 18806 1759 1 16 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.717 -0.126 18806 1760 1 16 . 1 1 13 13 PHE C C 13 175.330 175.330 176.662 -1.332 18806 1761 1 16 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.363 0.006 18806 1762 1 16 . 1 1 13 13 PHE CB C 13 43.443 43.443 41.346 2.097 18806 1763 1 16 . 1 1 14 14 SER N N 14 114.545 114.545 116.751 -2.206 18806 1764 1 16 . 1 1 14 14 SER HA H 14 4.491 4.491 4.576 -0.085 18806 1765 1 16 . 1 1 14 14 SER C C 14 173.113 173.113 173.509 -0.396 18806 1766 1 16 . 1 1 14 14 SER CA C 14 59.545 59.545 59.024 0.521 18806 1767 1 16 . 1 1 14 14 SER CB C 14 64.037 64.037 63.820 0.217 18806 1768 1 16 . 1 1 15 15 ASP N N 15 117.860 117.860 121.767 -3.907 18806 1769 1 16 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.040 -0.336 18806 1770 1 16 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.511 -0.814 18806 1771 1 16 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.980 -0.636 18806 1772 1 16 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.715 -0.159 18806 1773 1 16 . 1 1 16 16 PRO C C 16 178.801 178.801 177.522 1.279 18806 1774 1 16 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.858 -0.481 18806 1775 1 16 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.500 0.068 18806 1776 1 16 . 1 1 17 17 THR N N 17 117.621 117.621 112.896 4.725 18806 1777 1 16 . 1 1 17 17 THR HA H 17 3.759 3.759 4.095 -0.336 18806 1778 1 16 . 1 1 17 17 THR C C 17 176.424 176.424 176.153 0.271 18806 1779 1 16 . 1 1 17 17 THR CA C 17 66.554 66.554 65.983 0.571 18806 1780 1 16 . 1 1 17 17 THR CB C 17 67.664 67.664 68.473 -0.809 18806 1781 1 16 . 1 1 18 18 SER N N 18 119.883 119.883 117.099 2.784 18806 1782 1 16 . 1 1 18 18 SER HA H 18 3.871 3.871 4.324 -0.453 18806 1783 1 16 . 1 1 18 18 SER C C 18 177.038 177.038 175.535 1.503 18806 1784 1 16 . 1 1 18 18 SER CA C 18 61.906 61.906 61.492 0.414 18806 1785 1 16 . 1 1 18 18 SER CB C 18 61.877 61.877 62.891 -1.014 18806 1786 1 16 . 1 1 19 19 LYS N N 19 121.563 121.563 122.094 -0.531 18806 1787 1 16 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.260 -0.647 18806 1788 1 16 . 1 1 19 19 LYS C C 19 176.639 176.639 177.650 -1.011 18806 1789 1 16 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.935 0.551 18806 1790 1 16 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.061 -0.475 18806 1791 1 16 . 1 1 20 20 MET N N 20 118.908 118.908 119.453 -0.545 18806 1792 1 16 . 1 1 20 20 MET HA H 20 3.927 3.927 4.224 -0.297 18806 1793 1 16 . 1 1 20 20 MET C C 20 178.910 178.910 177.717 1.193 18806 1794 1 16 . 1 1 20 20 MET CA C 20 58.719 58.719 57.022 1.697 18806 1795 1 16 . 1 1 20 20 MET CB C 20 31.756 31.756 32.129 -0.373 18806 1796 1 16 . 1 1 21 21 ARG N N 21 118.164 118.164 117.960 0.204 18806 1797 1 16 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.107 -0.202 18806 1798 1 16 . 1 1 21 21 ARG C C 21 179.107 179.107 178.065 1.042 18806 1799 1 16 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.521 -0.714 18806 1800 1 16 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.245 0.856 18806 1801 1 16 . 1 1 22 22 HIS N N 22 117.794 117.794 120.187 -2.393 18806 1802 1 16 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.311 -0.144 18806 1803 1 16 . 1 1 22 22 HIS C C 22 178.014 178.014 177.315 0.699 18806 1804 1 16 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.725 -0.813 18806 1805 1 16 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.839 -1.918 18806 1806 1 16 . 1 1 23 23 LEU N N 23 122.319 122.319 120.197 2.122 18806 1807 1 16 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.387 -0.603 18806 1808 1 16 . 1 1 23 23 LEU C C 23 179.021 179.021 178.171 0.850 18806 1809 1 16 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.886 0.706 18806 1810 1 16 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.584 -0.926 18806 1811 1 16 . 1 1 24 24 GLU N N 24 116.297 116.297 114.637 1.660 18806 1812 1 16 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.381 -0.389 18806 1813 1 16 . 1 1 24 24 GLU C C 24 178.251 178.251 177.569 0.682 18806 1814 1 16 . 1 1 24 24 GLU CA C 24 58.329 58.329 57.749 0.580 18806 1815 1 16 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.107 0.310 18806 1816 1 16 . 1 1 25 25 THR N N 25 108.890 108.890 115.395 -6.505 18806 1817 1 16 . 1 1 25 25 THR HA H 25 4.010 4.010 4.310 -0.300 18806 1818 1 16 . 1 1 25 25 THR C C 25 175.170 175.170 175.413 -0.243 18806 1819 1 16 . 1 1 25 25 THR CA C 25 63.499 63.499 64.712 -1.213 18806 1820 1 16 . 1 1 25 25 THR CB C 25 69.177 69.177 69.866 -0.689 18806 1821 1 16 . 1 1 26 26 HIS N N 26 118.044 118.044 117.699 0.345 18806 1822 1 16 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.772 -0.305 18806 1823 1 16 . 1 1 26 26 HIS CA C 26 55.261 55.261 54.304 0.957 18806 1824 1 16 . 1 1 26 26 HIS CB C 26 28.642 28.642 30.260 -1.618 18806 1825 1 17 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.426 -0.279 18806 1826 1 17 . 1 1 3 3 PRO C C 3 176.083 176.083 175.573 0.510 18806 1827 1 17 . 1 1 3 3 PRO CA C 3 63.415 63.415 61.988 1.427 18806 1828 1 17 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.037 -0.160 18806 1829 1 17 . 1 1 4 4 TYR N N 4 117.838 117.838 121.385 -3.547 18806 1830 1 17 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.752 -0.292 18806 1831 1 17 . 1 1 4 4 TYR C C 4 174.569 174.569 175.740 -1.171 18806 1832 1 17 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.148 -0.378 18806 1833 1 17 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.889 -1.459 18806 1834 1 17 . 1 1 5 5 GLN N N 5 123.036 123.036 122.987 0.049 18806 1835 1 17 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.611 0.266 18806 1836 1 17 . 1 1 5 5 GLN C C 5 175.122 175.122 174.837 0.285 18806 1837 1 17 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.224 -0.666 18806 1838 1 17 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.910 1.681 18806 1839 1 17 . 1 1 6 6 CYS N N 6 125.821 125.821 121.855 3.966 18806 1840 1 17 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.921 -0.644 18806 1841 1 17 . 1 1 6 6 CYS C C 6 176.578 176.578 175.001 1.577 18806 1842 1 17 . 1 1 6 6 CYS CA C 6 60.245 60.245 58.503 1.742 18806 1843 1 17 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.368 0.910 18806 1844 1 17 . 1 1 7 7 ASP N N 7 129.841 129.841 129.111 0.730 18806 1845 1 17 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.426 -0.210 18806 1846 1 17 . 1 1 7 7 ASP C C 7 175.676 175.676 175.841 -0.165 18806 1847 1 17 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.253 0.097 18806 1848 1 17 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.478 0.265 18806 1849 1 17 . 1 1 8 8 TYR N N 8 119.023 119.023 116.007 3.016 18806 1850 1 17 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.601 -0.361 18806 1851 1 17 . 1 1 8 8 TYR C C 8 176.440 176.440 176.653 -0.213 18806 1852 1 17 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.852 0.694 18806 1853 1 17 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.855 -0.795 18806 1854 1 17 . 1 1 9 9 CYS N N 9 115.815 115.815 118.108 -2.293 18806 1855 1 17 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.790 0.248 18806 1856 1 17 . 1 1 9 9 CYS C C 9 175.815 175.815 176.213 -0.398 18806 1857 1 17 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.623 -2.313 18806 1858 1 17 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.666 2.607 18806 1859 1 17 . 1 1 10 10 GLY N N 10 111.402 111.402 109.268 2.134 18806 1860 1 17 . 1 1 10 10 GLY C C 10 173.932 173.932 173.242 0.690 18806 1861 1 17 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.314 0.725 18806 1862 1 17 . 1 1 11 11 ARG N N 11 122.427 122.427 120.754 1.673 18806 1863 1 17 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.430 -0.502 18806 1864 1 17 . 1 1 11 11 ARG C C 11 174.220 174.220 174.394 -0.174 18806 1865 1 17 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.530 3.072 18806 1866 1 17 . 1 1 11 11 ARG CB C 11 31.248 31.248 32.046 -0.798 18806 1867 1 17 . 1 1 12 12 SER N N 12 115.605 115.605 122.086 -6.481 18806 1868 1 17 . 1 1 12 12 SER HA H 12 4.896 4.896 4.555 0.341 18806 1869 1 17 . 1 1 12 12 SER C C 12 172.775 172.775 173.589 -0.814 18806 1870 1 17 . 1 1 12 12 SER CA C 12 57.311 57.311 58.436 -1.125 18806 1871 1 17 . 1 1 12 12 SER CB C 12 65.516 65.516 63.428 2.088 18806 1872 1 17 . 1 1 13 13 PHE N N 13 118.534 118.534 126.326 -7.792 18806 1873 1 17 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.648 -0.057 18806 1874 1 17 . 1 1 13 13 PHE C C 13 175.330 175.330 176.316 -0.986 18806 1875 1 17 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.408 -0.039 18806 1876 1 17 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.081 3.362 18806 1877 1 17 . 1 1 14 14 SER N N 14 114.545 114.545 118.242 -3.697 18806 1878 1 17 . 1 1 14 14 SER HA H 14 4.491 4.491 4.435 0.056 18806 1879 1 17 . 1 1 14 14 SER C C 14 173.113 173.113 173.446 -0.333 18806 1880 1 17 . 1 1 14 14 SER CA C 14 59.545 59.545 58.326 1.219 18806 1881 1 17 . 1 1 14 14 SER CB C 14 64.037 64.037 63.077 0.960 18806 1882 1 17 . 1 1 15 15 ASP N N 15 117.860 117.860 121.935 -4.075 18806 1883 1 17 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.141 -0.437 18806 1884 1 17 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.175 -0.478 18806 1885 1 17 . 1 1 15 15 ASP CB C 15 42.344 42.344 42.402 -0.058 18806 1886 1 17 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.242 -0.686 18806 1887 1 17 . 1 1 16 16 PRO C C 16 178.801 178.801 178.253 0.548 18806 1888 1 17 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.499 -1.122 18806 1889 1 17 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.009 -0.441 18806 1890 1 17 . 1 1 17 17 THR N N 17 117.621 117.621 113.098 4.523 18806 1891 1 17 . 1 1 17 17 THR HA H 17 3.759 3.759 4.149 -0.390 18806 1892 1 17 . 1 1 17 17 THR C C 17 176.424 176.424 176.893 -0.469 18806 1893 1 17 . 1 1 17 17 THR CA C 17 66.554 66.554 66.552 0.002 18806 1894 1 17 . 1 1 17 17 THR CB C 17 67.664 67.664 68.168 -0.504 18806 1895 1 17 . 1 1 18 18 SER N N 18 119.883 119.883 117.686 2.197 18806 1896 1 17 . 1 1 18 18 SER HA H 18 3.871 3.871 4.304 -0.433 18806 1897 1 17 . 1 1 18 18 SER C C 18 177.038 177.038 175.788 1.250 18806 1898 1 17 . 1 1 18 18 SER CA C 18 61.906 61.906 62.058 -0.152 18806 1899 1 17 . 1 1 18 18 SER CB C 18 61.877 61.877 62.740 -0.863 18806 1900 1 17 . 1 1 19 19 LYS N N 19 121.563 121.563 121.415 0.148 18806 1901 1 17 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.502 -0.889 18806 1902 1 17 . 1 1 19 19 LYS C C 19 176.639 176.639 177.848 -1.209 18806 1903 1 17 . 1 1 19 19 LYS CA C 19 59.487 59.487 59.225 0.262 18806 1904 1 17 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.560 -0.975 18806 1905 1 17 . 1 1 20 20 MET N N 20 118.908 118.908 119.298 -0.390 18806 1906 1 17 . 1 1 20 20 MET HA H 20 3.927 3.927 4.336 -0.409 18806 1907 1 17 . 1 1 20 20 MET C C 20 178.910 178.910 177.981 0.929 18806 1908 1 17 . 1 1 20 20 MET CA C 20 58.719 58.719 57.036 1.683 18806 1909 1 17 . 1 1 20 20 MET CB C 20 31.756 31.756 32.430 -0.674 18806 1910 1 17 . 1 1 21 21 ARG N N 21 118.164 118.164 119.032 -0.868 18806 1911 1 17 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.931 -0.026 18806 1912 1 17 . 1 1 21 21 ARG C C 21 179.107 179.107 178.635 0.472 18806 1913 1 17 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.881 -1.074 18806 1914 1 17 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.960 0.141 18806 1915 1 17 . 1 1 22 22 HIS N N 22 117.794 117.794 118.972 -1.178 18806 1916 1 17 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.266 -0.099 18806 1917 1 17 . 1 1 22 22 HIS C C 22 178.014 178.014 176.653 1.361 18806 1918 1 17 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.340 -0.428 18806 1919 1 17 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.650 -1.729 18806 1920 1 17 . 1 1 23 23 LEU N N 23 122.319 122.319 119.446 2.873 18806 1921 1 17 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.190 -0.406 18806 1922 1 17 . 1 1 23 23 LEU C C 23 179.021 179.021 179.063 -0.042 18806 1923 1 17 . 1 1 23 23 LEU CA C 23 58.592 58.592 58.035 0.557 18806 1924 1 17 . 1 1 23 23 LEU CB C 23 41.658 41.658 42.196 -0.538 18806 1925 1 17 . 1 1 24 24 GLU N N 24 116.297 116.297 119.441 -3.144 18806 1926 1 17 . 1 1 24 24 GLU HA H 24 3.992 3.992 3.988 0.004 18806 1927 1 17 . 1 1 24 24 GLU C C 24 178.251 178.251 178.653 -0.402 18806 1928 1 17 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.580 -1.251 18806 1929 1 17 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.551 -0.134 18806 1930 1 17 . 1 1 25 25 THR N N 25 108.890 108.890 114.550 -5.660 18806 1931 1 17 . 1 1 25 25 THR HA H 25 4.010 4.010 4.138 -0.129 18806 1932 1 17 . 1 1 25 25 THR C C 25 175.170 175.170 174.800 0.370 18806 1933 1 17 . 1 1 25 25 THR CA C 25 63.499 63.499 64.244 -0.745 18806 1934 1 17 . 1 1 25 25 THR CB C 25 69.177 69.177 68.069 1.108 18806 1935 1 17 . 1 1 26 26 HIS N N 26 118.044 118.044 119.605 -1.561 18806 1936 1 17 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.410 0.057 18806 1937 1 17 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.569 -2.308 18806 1938 1 17 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.125 -0.483 18806 1939 1 18 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.646 -0.499 18806 1940 1 18 . 1 1 3 3 PRO C C 3 176.083 176.083 175.618 0.465 18806 1941 1 18 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.478 0.937 18806 1942 1 18 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.364 -0.487 18806 1943 1 18 . 1 1 4 4 TYR N N 4 117.838 117.838 122.920 -5.082 18806 1944 1 18 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.721 -0.261 18806 1945 1 18 . 1 1 4 4 TYR C C 4 174.569 174.569 175.618 -1.049 18806 1946 1 18 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.780 -0.010 18806 1947 1 18 . 1 1 4 4 TYR CB C 4 38.430 38.430 38.184 0.246 18806 1948 1 18 . 1 1 5 5 GLN N N 5 123.036 123.036 122.353 0.683 18806 1949 1 18 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.743 0.134 18806 1950 1 18 . 1 1 5 5 GLN C C 5 175.122 175.122 175.604 -0.482 18806 1951 1 18 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.224 -0.666 18806 1952 1 18 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.253 2.338 18806 1953 1 18 . 1 1 6 6 CYS N N 6 125.821 125.821 124.461 1.360 18806 1954 1 18 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.865 -0.588 18806 1955 1 18 . 1 1 6 6 CYS C C 6 176.578 176.578 175.427 1.151 18806 1956 1 18 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.160 1.085 18806 1957 1 18 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.694 0.584 18806 1958 1 18 . 1 1 7 7 ASP N N 7 129.841 129.841 129.450 0.391 18806 1959 1 18 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.626 -0.410 18806 1960 1 18 . 1 1 7 7 ASP C C 7 175.676 175.676 176.283 -0.607 18806 1961 1 18 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.550 -0.201 18806 1962 1 18 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.605 0.138 18806 1963 1 18 . 1 1 8 8 TYR N N 8 119.023 119.023 117.906 1.117 18806 1964 1 18 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.535 -0.295 18806 1965 1 18 . 1 1 8 8 TYR C C 8 176.440 176.440 177.000 -0.560 18806 1966 1 18 . 1 1 8 8 TYR CA C 8 59.546 59.546 59.717 -0.171 18806 1967 1 18 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.740 -0.680 18806 1968 1 18 . 1 1 9 9 CYS N N 9 115.815 115.815 117.445 -1.630 18806 1969 1 18 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.871 0.167 18806 1970 1 18 . 1 1 9 9 CYS C C 9 175.815 175.815 176.102 -0.287 18806 1971 1 18 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.251 -1.941 18806 1972 1 18 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.108 2.165 18806 1973 1 18 . 1 1 10 10 GLY N N 10 111.402 111.402 109.271 2.131 18806 1974 1 18 . 1 1 10 10 GLY C C 10 173.932 173.932 173.288 0.644 18806 1975 1 18 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.405 0.634 18806 1976 1 18 . 1 1 11 11 ARG N N 11 122.427 122.427 120.482 1.945 18806 1977 1 18 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.463 -0.535 18806 1978 1 18 . 1 1 11 11 ARG C C 11 174.220 174.220 174.512 -0.292 18806 1979 1 18 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.432 3.170 18806 1980 1 18 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.807 -0.559 18806 1981 1 18 . 1 1 12 12 SER N N 12 115.605 115.605 121.584 -5.979 18806 1982 1 18 . 1 1 12 12 SER HA H 12 4.896 4.896 4.709 0.187 18806 1983 1 18 . 1 1 12 12 SER C C 12 172.775 172.775 173.665 -0.890 18806 1984 1 18 . 1 1 12 12 SER CA C 12 57.311 57.311 57.973 -0.662 18806 1985 1 18 . 1 1 12 12 SER CB C 12 65.516 65.516 63.000 2.516 18806 1986 1 18 . 1 1 13 13 PHE N N 13 118.534 118.534 126.206 -7.672 18806 1987 1 18 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.592 -0.001 18806 1988 1 18 . 1 1 13 13 PHE C C 13 175.330 175.330 176.435 -1.105 18806 1989 1 18 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.547 -0.178 18806 1990 1 18 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.562 3.881 18806 1991 1 18 . 1 1 14 14 SER N N 14 114.545 114.545 116.772 -2.227 18806 1992 1 18 . 1 1 14 14 SER HA H 14 4.491 4.491 4.487 0.004 18806 1993 1 18 . 1 1 14 14 SER C C 14 173.113 173.113 173.768 -0.655 18806 1994 1 18 . 1 1 14 14 SER CA C 14 59.545 59.545 58.700 0.845 18806 1995 1 18 . 1 1 14 14 SER CB C 14 64.037 64.037 63.422 0.615 18806 1996 1 18 . 1 1 15 15 ASP N N 15 117.860 117.860 120.883 -3.023 18806 1997 1 18 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.182 -0.478 18806 1998 1 18 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.390 0.307 18806 1999 1 18 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.128 -0.784 18806 2000 1 18 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.809 -0.253 18806 2001 1 18 . 1 1 16 16 PRO C C 16 178.801 178.801 177.249 1.552 18806 2002 1 18 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.978 -0.601 18806 2003 1 18 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.743 -0.175 18806 2004 1 18 . 1 1 17 17 THR N N 17 117.621 117.621 111.435 6.186 18806 2005 1 18 . 1 1 17 17 THR HA H 17 3.759 3.759 4.218 -0.459 18806 2006 1 18 . 1 1 17 17 THR C C 17 176.424 176.424 176.470 -0.046 18806 2007 1 18 . 1 1 17 17 THR CA C 17 66.554 66.554 66.144 0.410 18806 2008 1 18 . 1 1 17 17 THR CB C 17 67.664 67.664 68.344 -0.680 18806 2009 1 18 . 1 1 18 18 SER N N 18 119.883 119.883 117.521 2.362 18806 2010 1 18 . 1 1 18 18 SER HA H 18 3.871 3.871 4.282 -0.411 18806 2011 1 18 . 1 1 18 18 SER C C 18 177.038 177.038 175.740 1.298 18806 2012 1 18 . 1 1 18 18 SER CA C 18 61.906 61.906 61.406 0.500 18806 2013 1 18 . 1 1 18 18 SER CB C 18 61.877 61.877 62.440 -0.562 18806 2014 1 18 . 1 1 19 19 LYS N N 19 121.563 121.563 121.914 -0.351 18806 2015 1 18 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.469 -0.856 18806 2016 1 18 . 1 1 19 19 LYS C C 19 176.639 176.639 177.839 -1.200 18806 2017 1 18 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.562 0.925 18806 2018 1 18 . 1 1 19 19 LYS CB C 19 31.586 31.586 31.915 -0.329 18806 2019 1 18 . 1 1 20 20 MET N N 20 118.908 118.908 119.180 -0.272 18806 2020 1 18 . 1 1 20 20 MET HA H 20 3.927 3.927 4.306 -0.379 18806 2021 1 18 . 1 1 20 20 MET C C 20 178.910 178.910 177.884 1.026 18806 2022 1 18 . 1 1 20 20 MET CA C 20 58.719 58.719 56.829 1.890 18806 2023 1 18 . 1 1 20 20 MET CB C 20 31.756 31.756 32.017 -0.261 18806 2024 1 18 . 1 1 21 21 ARG N N 21 118.164 118.164 120.487 -2.323 18806 2025 1 18 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.235 -0.330 18806 2026 1 18 . 1 1 21 21 ARG C C 21 179.107 179.107 178.536 0.571 18806 2027 1 18 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.630 -0.824 18806 2028 1 18 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.892 0.209 18806 2029 1 18 . 1 1 22 22 HIS N N 22 117.794 117.794 119.078 -1.284 18806 2030 1 18 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.200 -0.033 18806 2031 1 18 . 1 1 22 22 HIS C C 22 178.014 178.014 177.348 0.666 18806 2032 1 18 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.146 -0.234 18806 2033 1 18 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.487 -1.566 18806 2034 1 18 . 1 1 23 23 LEU N N 23 122.319 122.319 119.156 3.163 18806 2035 1 18 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.091 -0.307 18806 2036 1 18 . 1 1 23 23 LEU C C 23 179.021 179.021 178.551 0.470 18806 2037 1 18 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.349 1.243 18806 2038 1 18 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.268 0.390 18806 2039 1 18 . 1 1 24 24 GLU N N 24 116.297 116.297 118.410 -2.113 18806 2040 1 18 . 1 1 24 24 GLU HA H 24 3.992 3.992 3.991 0.001 18806 2041 1 18 . 1 1 24 24 GLU C C 24 178.251 178.251 179.154 -0.903 18806 2042 1 18 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.151 -0.823 18806 2043 1 18 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.514 -0.097 18806 2044 1 18 . 1 1 25 25 THR N N 25 108.890 108.890 113.323 -4.433 18806 2045 1 18 . 1 1 25 25 THR HA H 25 4.010 4.010 4.026 -0.016 18806 2046 1 18 . 1 1 25 25 THR C C 25 175.170 175.170 175.485 -0.315 18806 2047 1 18 . 1 1 25 25 THR CA C 25 63.499 63.499 63.427 0.072 18806 2048 1 18 . 1 1 25 25 THR CB C 25 69.177 69.177 68.203 0.974 18806 2049 1 18 . 1 1 26 26 HIS N N 26 118.044 118.044 119.128 -1.084 18806 2050 1 18 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.175 0.292 18806 2051 1 18 . 1 1 26 26 HIS CA C 26 55.261 55.261 59.267 -4.006 18806 2052 1 18 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.424 -0.782 18806 2053 1 19 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.651 -0.504 18806 2054 1 19 . 1 1 3 3 PRO C C 3 176.083 176.083 175.470 0.613 18806 2055 1 19 . 1 1 3 3 PRO CA C 3 63.415 63.415 61.874 1.541 18806 2056 1 19 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.304 -0.427 18806 2057 1 19 . 1 1 4 4 TYR N N 4 117.838 117.838 123.156 -5.318 18806 2058 1 19 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.736 -0.276 18806 2059 1 19 . 1 1 4 4 TYR C C 4 174.569 174.569 175.151 -0.582 18806 2060 1 19 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.926 -0.156 18806 2061 1 19 . 1 1 4 4 TYR CB C 4 38.430 38.430 40.372 -1.942 18806 2062 1 19 . 1 1 5 5 GLN N N 5 123.036 123.036 122.505 0.531 18806 2063 1 19 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.771 0.106 18806 2064 1 19 . 1 1 5 5 GLN C C 5 175.122 175.122 175.205 -0.083 18806 2065 1 19 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.701 -0.143 18806 2066 1 19 . 1 1 5 5 GLN CB C 5 31.592 31.592 29.517 2.075 18806 2067 1 19 . 1 1 6 6 CYS N N 6 125.821 125.821 123.150 2.671 18806 2068 1 19 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.820 -0.543 18806 2069 1 19 . 1 1 6 6 CYS C C 6 176.578 176.578 175.290 1.288 18806 2070 1 19 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.176 1.069 18806 2071 1 19 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.882 1.396 18806 2072 1 19 . 1 1 7 7 ASP N N 7 129.841 129.841 128.450 1.391 18806 2073 1 19 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.395 -0.179 18806 2074 1 19 . 1 1 7 7 ASP C C 7 175.676 175.676 176.144 -0.468 18806 2075 1 19 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.740 -0.390 18806 2076 1 19 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.804 -0.061 18806 2077 1 19 . 1 1 8 8 TYR N N 8 119.023 119.023 116.740 2.283 18806 2078 1 19 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.535 -0.295 18806 2079 1 19 . 1 1 8 8 TYR C C 8 176.440 176.440 176.852 -0.412 18806 2080 1 19 . 1 1 8 8 TYR CA C 8 59.546 59.546 59.223 0.323 18806 2081 1 19 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.909 -0.849 18806 2082 1 19 . 1 1 9 9 CYS N N 9 115.815 115.815 117.236 -1.421 18806 2083 1 19 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.840 0.198 18806 2084 1 19 . 1 1 9 9 CYS C C 9 175.815 175.815 176.150 -0.335 18806 2085 1 19 . 1 1 9 9 CYS CA C 9 58.310 58.310 59.583 -1.273 18806 2086 1 19 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.094 3.179 18806 2087 1 19 . 1 1 10 10 GLY N N 10 111.402 111.402 108.973 2.429 18806 2088 1 19 . 1 1 10 10 GLY C C 10 173.932 173.932 173.649 0.283 18806 2089 1 19 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.336 0.703 18806 2090 1 19 . 1 1 11 11 ARG N N 11 122.427 122.427 120.854 1.573 18806 2091 1 19 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.406 -0.478 18806 2092 1 19 . 1 1 11 11 ARG C C 11 174.220 174.220 174.531 -0.311 18806 2093 1 19 . 1 1 11 11 ARG CA C 11 57.602 57.602 53.438 4.164 18806 2094 1 19 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.646 -0.398 18806 2095 1 19 . 1 1 12 12 SER N N 12 115.605 115.605 121.958 -6.353 18806 2096 1 19 . 1 1 12 12 SER HA H 12 4.896 4.896 4.439 0.457 18806 2097 1 19 . 1 1 12 12 SER C C 12 172.775 172.775 173.244 -0.469 18806 2098 1 19 . 1 1 12 12 SER CA C 12 57.311 57.311 58.139 -0.828 18806 2099 1 19 . 1 1 12 12 SER CB C 12 65.516 65.516 63.602 1.915 18806 2100 1 19 . 1 1 13 13 PHE N N 13 118.534 118.534 125.015 -6.481 18806 2101 1 19 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.659 -0.068 18806 2102 1 19 . 1 1 13 13 PHE C C 13 175.330 175.330 176.473 -1.143 18806 2103 1 19 . 1 1 13 13 PHE CA C 13 57.369 57.369 56.700 0.669 18806 2104 1 19 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.705 3.738 18806 2105 1 19 . 1 1 14 14 SER N N 14 114.545 114.545 116.616 -2.071 18806 2106 1 19 . 1 1 14 14 SER HA H 14 4.491 4.491 4.449 0.042 18806 2107 1 19 . 1 1 14 14 SER C C 14 173.113 173.113 173.147 -0.034 18806 2108 1 19 . 1 1 14 14 SER CA C 14 59.545 59.545 58.984 0.561 18806 2109 1 19 . 1 1 14 14 SER CB C 14 64.037 64.037 63.424 0.613 18806 2110 1 19 . 1 1 15 15 ASP N N 15 117.860 117.860 120.452 -2.592 18806 2111 1 19 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.238 -0.534 18806 2112 1 19 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.195 -0.498 18806 2113 1 19 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.766 -1.422 18806 2114 1 19 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.165 -0.609 18806 2115 1 19 . 1 1 16 16 PRO C C 16 178.801 178.801 178.231 0.570 18806 2116 1 19 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.674 -1.297 18806 2117 1 19 . 1 1 16 16 PRO CB C 16 31.568 31.568 32.190 -0.622 18806 2118 1 19 . 1 1 17 17 THR N N 17 117.621 117.621 112.648 4.973 18806 2119 1 19 . 1 1 17 17 THR HA H 17 3.759 3.759 3.966 -0.207 18806 2120 1 19 . 1 1 17 17 THR C C 17 176.424 176.424 176.183 0.241 18806 2121 1 19 . 1 1 17 17 THR CA C 17 66.554 66.554 67.725 -1.171 18806 2122 1 19 . 1 1 17 17 THR CB C 17 67.664 67.664 67.912 -0.248 18806 2123 1 19 . 1 1 18 18 SER N N 18 119.883 119.883 115.151 4.732 18806 2124 1 19 . 1 1 18 18 SER HA H 18 3.871 3.871 4.439 -0.568 18806 2125 1 19 . 1 1 18 18 SER C C 18 177.038 177.038 175.824 1.214 18806 2126 1 19 . 1 1 18 18 SER CA C 18 61.906 61.906 60.885 1.021 18806 2127 1 19 . 1 1 18 18 SER CB C 18 61.877 61.877 62.701 -0.824 18806 2128 1 19 . 1 1 19 19 LYS N N 19 121.563 121.563 122.766 -1.203 18806 2129 1 19 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.853 -1.240 18806 2130 1 19 . 1 1 19 19 LYS C C 19 176.639 176.639 177.567 -0.928 18806 2131 1 19 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.353 1.134 18806 2132 1 19 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.281 -0.695 18806 2133 1 19 . 1 1 20 20 MET N N 20 118.908 118.908 119.532 -0.624 18806 2134 1 19 . 1 1 20 20 MET HA H 20 3.927 3.927 4.381 -0.454 18806 2135 1 19 . 1 1 20 20 MET C C 20 178.910 178.910 178.522 0.388 18806 2136 1 19 . 1 1 20 20 MET CA C 20 58.719 58.719 57.143 1.576 18806 2137 1 19 . 1 1 20 20 MET CB C 20 31.756 31.756 31.865 -0.109 18806 2138 1 19 . 1 1 21 21 ARG N N 21 118.164 118.164 118.170 -0.006 18806 2139 1 19 . 1 1 21 21 ARG HA H 21 3.905 3.905 3.985 -0.080 18806 2140 1 19 . 1 1 21 21 ARG C C 21 179.107 179.107 178.794 0.313 18806 2141 1 19 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.583 -0.776 18806 2142 1 19 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.777 0.324 18806 2143 1 19 . 1 1 22 22 HIS N N 22 117.794 117.794 119.999 -2.205 18806 2144 1 19 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.360 -0.193 18806 2145 1 19 . 1 1 22 22 HIS C C 22 178.014 178.014 177.373 0.641 18806 2146 1 19 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.175 -0.263 18806 2147 1 19 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.723 -1.802 18806 2148 1 19 . 1 1 23 23 LEU N N 23 122.319 122.319 119.288 3.031 18806 2149 1 19 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.230 -0.446 18806 2150 1 19 . 1 1 23 23 LEU C C 23 179.021 179.021 179.584 -0.563 18806 2151 1 19 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.749 0.843 18806 2152 1 19 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.051 0.607 18806 2153 1 19 . 1 1 24 24 GLU N N 24 116.297 116.297 118.724 -2.427 18806 2154 1 19 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.131 -0.139 18806 2155 1 19 . 1 1 24 24 GLU C C 24 178.251 178.251 179.097 -0.846 18806 2156 1 19 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.138 -0.809 18806 2157 1 19 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.338 0.079 18806 2158 1 19 . 1 1 25 25 THR N N 25 108.890 108.890 109.489 -0.599 18806 2159 1 19 . 1 1 25 25 THR HA H 25 4.010 4.010 4.233 -0.223 18806 2160 1 19 . 1 1 25 25 THR C C 25 175.170 175.170 174.933 0.237 18806 2161 1 19 . 1 1 25 25 THR CA C 25 63.499 63.499 63.662 -0.163 18806 2162 1 19 . 1 1 25 25 THR CB C 25 69.177 69.177 68.028 1.149 18806 2163 1 19 . 1 1 26 26 HIS N N 26 118.044 118.044 120.247 -2.203 18806 2164 1 19 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.264 0.203 18806 2165 1 19 . 1 1 26 26 HIS CA C 26 55.261 55.261 58.877 -3.616 18806 2166 1 19 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.801 -1.159 18806 2167 1 20 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.536 -0.389 18806 2168 1 20 . 1 1 3 3 PRO C C 3 176.083 176.083 175.821 0.262 18806 2169 1 20 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.211 1.204 18806 2170 1 20 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.345 -0.468 18806 2171 1 20 . 1 1 4 4 TYR N N 4 117.838 117.838 119.437 -1.599 18806 2172 1 20 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.773 -0.313 18806 2173 1 20 . 1 1 4 4 TYR C C 4 174.569 174.569 175.534 -0.965 18806 2174 1 20 . 1 1 4 4 TYR CA C 4 56.770 56.770 57.077 -0.307 18806 2175 1 20 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.028 -0.598 18806 2176 1 20 . 1 1 5 5 GLN N N 5 123.036 123.036 122.587 0.449 18806 2177 1 20 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.914 -0.037 18806 2178 1 20 . 1 1 5 5 GLN C C 5 175.122 175.122 175.503 -0.381 18806 2179 1 20 . 1 1 5 5 GLN CA C 5 54.558 54.558 55.511 -0.953 18806 2180 1 20 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.438 1.154 18806 2181 1 20 . 1 1 6 6 CYS N N 6 125.821 125.821 122.130 3.691 18806 2182 1 20 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.673 -0.396 18806 2183 1 20 . 1 1 6 6 CYS C C 6 176.578 176.578 175.727 0.851 18806 2184 1 20 . 1 1 6 6 CYS CA C 6 60.245 60.245 58.853 1.392 18806 2185 1 20 . 1 1 6 6 CYS CB C 6 30.278 30.278 29.033 1.245 18806 2186 1 20 . 1 1 7 7 ASP N N 7 129.841 129.841 129.600 0.241 18806 2187 1 20 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.390 -0.174 18806 2188 1 20 . 1 1 7 7 ASP C C 7 175.676 175.676 176.001 -0.325 18806 2189 1 20 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.538 -0.188 18806 2190 1 20 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.012 0.731 18806 2191 1 20 . 1 1 8 8 TYR N N 8 119.023 119.023 117.546 1.477 18806 2192 1 20 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.684 -0.444 18806 2193 1 20 . 1 1 8 8 TYR C C 8 176.440 176.440 176.993 -0.553 18806 2194 1 20 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.737 0.809 18806 2195 1 20 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.520 -0.460 18806 2196 1 20 . 1 1 9 9 CYS N N 9 115.815 115.815 117.767 -1.952 18806 2197 1 20 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.783 0.255 18806 2198 1 20 . 1 1 9 9 CYS C C 9 175.815 175.815 176.305 -0.490 18806 2199 1 20 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.303 -1.993 18806 2200 1 20 . 1 1 9 9 CYS CB C 9 32.273 32.273 29.876 2.397 18806 2201 1 20 . 1 1 10 10 GLY N N 10 111.402 111.402 108.753 2.649 18806 2202 1 20 . 1 1 10 10 GLY C C 10 173.932 173.932 173.476 0.456 18806 2203 1 20 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.206 0.833 18806 2204 1 20 . 1 1 11 11 ARG N N 11 122.427 122.427 121.196 1.231 18806 2205 1 20 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.206 -0.278 18806 2206 1 20 . 1 1 11 11 ARG C C 11 174.220 174.220 175.140 -0.920 18806 2207 1 20 . 1 1 11 11 ARG CA C 11 57.602 57.602 55.696 1.907 18806 2208 1 20 . 1 1 11 11 ARG CB C 11 31.248 31.248 30.889 0.359 18806 2209 1 20 . 1 1 12 12 SER N N 12 115.605 115.605 120.386 -4.781 18806 2210 1 20 . 1 1 12 12 SER HA H 12 4.896 4.896 4.580 0.316 18806 2211 1 20 . 1 1 12 12 SER C C 12 172.775 172.775 173.827 -1.052 18806 2212 1 20 . 1 1 12 12 SER CA C 12 57.311 57.311 56.969 0.342 18806 2213 1 20 . 1 1 12 12 SER CB C 12 65.516 65.516 62.833 2.683 18806 2214 1 20 . 1 1 13 13 PHE N N 13 118.534 118.534 125.854 -7.320 18806 2215 1 20 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.620 -0.029 18806 2216 1 20 . 1 1 13 13 PHE C C 13 175.330 175.330 176.618 -1.288 18806 2217 1 20 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.647 -0.278 18806 2218 1 20 . 1 1 13 13 PHE CB C 13 43.443 43.443 39.639 3.804 18806 2219 1 20 . 1 1 14 14 SER N N 14 114.545 114.545 118.686 -4.141 18806 2220 1 20 . 1 1 14 14 SER HA H 14 4.491 4.491 4.383 0.108 18806 2221 1 20 . 1 1 14 14 SER C C 14 173.113 173.113 174.106 -0.993 18806 2222 1 20 . 1 1 14 14 SER CA C 14 59.545 59.545 60.685 -1.140 18806 2223 1 20 . 1 1 14 14 SER CB C 14 64.037 64.037 63.604 0.433 18806 2224 1 20 . 1 1 15 15 ASP N N 15 117.860 117.860 118.972 -1.112 18806 2225 1 20 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.029 -0.325 18806 2226 1 20 . 1 1 15 15 ASP CA C 15 51.697 51.697 52.478 -0.781 18806 2227 1 20 . 1 1 15 15 ASP CB C 15 42.344 42.344 44.077 -1.732 18806 2228 1 20 . 1 1 16 16 PRO HA H 16 3.556 3.556 4.039 -0.483 18806 2229 1 20 . 1 1 16 16 PRO C C 16 178.801 178.801 177.417 1.384 18806 2230 1 20 . 1 1 16 16 PRO CA C 16 64.377 64.377 64.314 0.063 18806 2231 1 20 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.489 0.079 18806 2232 1 20 . 1 1 17 17 THR N N 17 117.621 117.621 114.601 3.020 18806 2233 1 20 . 1 1 17 17 THR HA H 17 3.759 3.759 4.105 -0.346 18806 2234 1 20 . 1 1 17 17 THR C C 17 176.424 176.424 176.651 -0.227 18806 2235 1 20 . 1 1 17 17 THR CA C 17 66.554 66.554 65.576 0.978 18806 2236 1 20 . 1 1 17 17 THR CB C 17 67.664 67.664 68.366 -0.702 18806 2237 1 20 . 1 1 18 18 SER N N 18 119.883 119.883 117.019 2.864 18806 2238 1 20 . 1 1 18 18 SER HA H 18 3.871 3.871 4.212 -0.341 18806 2239 1 20 . 1 1 18 18 SER C C 18 177.038 177.038 176.136 0.902 18806 2240 1 20 . 1 1 18 18 SER CA C 18 61.906 61.906 61.065 0.841 18806 2241 1 20 . 1 1 18 18 SER CB C 18 61.877 61.877 62.523 -0.645 18806 2242 1 20 . 1 1 19 19 LYS N N 19 121.563 121.563 122.026 -0.463 18806 2243 1 20 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.338 -0.725 18806 2244 1 20 . 1 1 19 19 LYS C C 19 176.639 176.639 177.526 -0.887 18806 2245 1 20 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.456 1.031 18806 2246 1 20 . 1 1 19 19 LYS CB C 19 31.586 31.586 31.988 -0.402 18806 2247 1 20 . 1 1 20 20 MET N N 20 118.908 118.908 119.334 -0.426 18806 2248 1 20 . 1 1 20 20 MET HA H 20 3.927 3.927 4.268 -0.341 18806 2249 1 20 . 1 1 20 20 MET C C 20 178.910 178.910 177.903 1.007 18806 2250 1 20 . 1 1 20 20 MET CA C 20 58.719 58.719 57.223 1.496 18806 2251 1 20 . 1 1 20 20 MET CB C 20 31.756 31.756 31.874 -0.118 18806 2252 1 20 . 1 1 21 21 ARG N N 21 118.164 118.164 120.053 -1.889 18806 2253 1 20 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.243 -0.338 18806 2254 1 20 . 1 1 21 21 ARG C C 21 179.107 179.107 178.303 0.804 18806 2255 1 20 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.475 -0.668 18806 2256 1 20 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.819 0.282 18806 2257 1 20 . 1 1 22 22 HIS N N 22 117.794 117.794 120.067 -2.273 18806 2258 1 20 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.163 0.004 18806 2259 1 20 . 1 1 22 22 HIS C C 22 178.014 178.014 176.687 1.327 18806 2260 1 20 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.570 -0.658 18806 2261 1 20 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.275 -1.354 18806 2262 1 20 . 1 1 23 23 LEU N N 23 122.319 122.319 116.727 5.592 18806 2263 1 20 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.202 -0.418 18806 2264 1 20 . 1 1 23 23 LEU C C 23 179.021 179.021 178.201 0.820 18806 2265 1 20 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.076 1.516 18806 2266 1 20 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.486 0.173 18806 2267 1 20 . 1 1 24 24 GLU N N 24 116.297 116.297 117.466 -1.169 18806 2268 1 20 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.119 -0.127 18806 2269 1 20 . 1 1 24 24 GLU C C 24 178.251 178.251 178.859 -0.608 18806 2270 1 20 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.028 -0.699 18806 2271 1 20 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.969 -0.552 18806 2272 1 20 . 1 1 25 25 THR N N 25 108.890 108.890 112.536 -3.646 18806 2273 1 20 . 1 1 25 25 THR HA H 25 4.010 4.010 4.162 -0.152 18806 2274 1 20 . 1 1 25 25 THR C C 25 175.170 175.170 175.558 -0.388 18806 2275 1 20 . 1 1 25 25 THR CA C 25 63.499 63.499 63.232 0.267 18806 2276 1 20 . 1 1 25 25 THR CB C 25 69.177 69.177 68.932 0.245 18806 2277 1 20 . 1 1 26 26 HIS N N 26 118.044 118.044 119.514 -1.470 18806 2278 1 20 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.307 0.160 18806 2279 1 20 . 1 1 26 26 HIS CA C 26 55.261 55.261 56.153 -0.892 18806 2280 1 20 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.326 -0.684 18806 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 22 3.644 0.552 3.687 18806 2 1 1 "Average Difference" HA 24 0.331 0.179 0.284 18806 3 1 1 "Average Difference" C 22 0.782 0.046 0.799 18806 4 1 1 "Average Difference" CA 24 1.249 -0.256 1.249 18806 5 1 1 "Average Difference" CB 23 1.313 -0.267 1.314 18806 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18806 7 1 2 "Average Difference" N 22 3.464 0.287 3.533 18806 8 1 2 "Average Difference" HA 24 0.362 0.209 0.302 18806 9 1 2 "Average Difference" C 22 0.753 0.003 0.771 18806 10 1 2 "Average Difference" CA 24 1.143 -0.130 1.160 18806 11 1 2 "Average Difference" CB 23 1.206 -0.228 1.211 18806 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18806 13 1 3 "Average Difference" N 22 3.144 0.869 3.092 18806 14 1 3 "Average Difference" HA 24 0.367 0.207 0.310 18806 15 1 3 "Average Difference" C 22 0.712 -0.017 0.728 18806 16 1 3 "Average Difference" CA 24 1.044 -0.115 1.060 18806 17 1 3 "Average Difference" CB 23 1.215 -0.205 1.225 18806 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18806 19 1 4 "Average Difference" N 22 3.541 1.095 3.447 18806 20 1 4 "Average Difference" HA 24 0.378 0.156 0.351 18806 21 1 4 "Average Difference" C 22 0.759 0.036 0.776 18806 22 1 4 "Average Difference" CA 24 1.340 -0.049 1.368 18806 23 1 4 "Average Difference" CB 23 1.272 -0.240 1.278 18806 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18806 25 1 5 "Average Difference" N 22 3.308 0.174 3.381 18806 26 1 5 "Average Difference" HA 24 0.381 0.265 0.280 18806 27 1 5 "Average Difference" C 22 0.676 0.052 0.690 18806 28 1 5 "Average Difference" CA 24 1.226 -0.176 1.239 18806 29 1 5 "Average Difference" CB 23 1.507 0.013 1.540 18806 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18806 31 1 6 "Average Difference" N 22 3.325 0.830 3.295 18806 32 1 6 "Average Difference" HA 24 0.377 0.199 0.328 18806 33 1 6 "Average Difference" C 22 0.744 0.047 0.760 18806 34 1 6 "Average Difference" CA 24 1.275 0.135 1.295 18806 35 1 6 "Average Difference" CB 23 1.343 -0.090 1.370 18806 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18806 37 1 7 "Average Difference" N 22 3.335 1.066 3.235 18806 38 1 7 "Average Difference" HA 24 0.375 0.233 0.300 18806 39 1 7 "Average Difference" C 22 0.722 0.055 0.737 18806 40 1 7 "Average Difference" CA 24 1.325 0.007 1.354 18806 41 1 7 "Average Difference" CB 23 1.212 -0.218 1.219 18806 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18806 43 1 8 "Average Difference" N 22 3.144 0.823 3.105 18806 44 1 8 "Average Difference" HA 24 0.381 0.194 0.335 18806 45 1 8 "Average Difference" C 22 0.809 -0.087 0.824 18806 46 1 8 "Average Difference" CA 24 1.264 0.036 1.291 18806 47 1 8 "Average Difference" CB 23 1.338 -0.071 1.367 18806 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18806 49 1 9 "Average Difference" N 22 3.518 0.870 3.489 18806 50 1 9 "Average Difference" HA 24 0.328 0.168 0.288 18806 51 1 9 "Average Difference" C 22 0.812 0.100 0.825 18806 52 1 9 "Average Difference" CA 24 1.012 -0.035 1.033 18806 53 1 9 "Average Difference" CB 23 1.376 -0.243 1.385 18806 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18806 55 1 10 "Average Difference" N 22 3.504 0.318 3.572 18806 56 1 10 "Average Difference" HA 24 0.372 0.196 0.322 18806 57 1 10 "Average Difference" C 22 0.737 0.033 0.754 18806 58 1 10 "Average Difference" CA 24 1.046 -0.062 1.066 18806 59 1 10 "Average Difference" CB 23 1.229 -0.150 1.247 18806 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18806 61 1 11 "Average Difference" N 22 3.266 0.579 3.290 18806 62 1 11 "Average Difference" HA 24 0.316 0.183 0.263 18806 63 1 11 "Average Difference" C 22 0.847 0.035 0.867 18806 64 1 11 "Average Difference" CA 24 1.137 0.014 1.161 18806 65 1 11 "Average Difference" CB 23 1.045 -0.121 1.062 18806 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18806 67 1 12 "Average Difference" N 22 3.410 0.569 3.441 18806 68 1 12 "Average Difference" HA 24 0.347 0.152 0.319 18806 69 1 12 "Average Difference" C 22 0.789 -0.026 0.807 18806 70 1 12 "Average Difference" CA 24 1.183 0.072 1.206 18806 71 1 12 "Average Difference" CB 23 1.410 -0.326 1.402 18806 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18806 73 1 13 "Average Difference" N 22 3.403 0.838 3.376 18806 74 1 13 "Average Difference" HA 24 0.430 0.190 0.394 18806 75 1 13 "Average Difference" C 22 0.773 -0.036 0.790 18806 76 1 13 "Average Difference" CA 24 1.316 -0.135 1.337 18806 77 1 13 "Average Difference" CB 23 1.303 -0.169 1.321 18806 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18806 79 1 14 "Average Difference" N 22 2.968 0.428 3.007 18806 80 1 14 "Average Difference" HA 24 0.388 0.211 0.332 18806 81 1 14 "Average Difference" C 22 0.802 -0.056 0.819 18806 82 1 14 "Average Difference" CA 24 1.066 -0.262 1.056 18806 83 1 14 "Average Difference" CB 23 1.024 -0.123 1.040 18806 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18806 85 1 15 "Average Difference" N 22 3.584 0.951 3.537 18806 86 1 15 "Average Difference" HA 24 0.425 0.220 0.371 18806 87 1 15 "Average Difference" C 22 0.752 -0.021 0.769 18806 88 1 15 "Average Difference" CA 24 1.183 -0.052 1.207 18806 89 1 15 "Average Difference" CB 23 1.444 -0.176 1.465 18806 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18806 91 1 16 "Average Difference" N 22 3.015 0.625 3.019 18806 92 1 16 "Average Difference" HA 24 0.347 0.244 0.252 18806 93 1 16 "Average Difference" C 22 0.864 -0.193 0.862 18806 94 1 16 "Average Difference" CA 24 0.990 -0.242 0.981 18806 95 1 16 "Average Difference" CB 23 1.070 -0.008 1.094 18806 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18806 97 1 17 "Average Difference" N 22 3.462 0.881 3.427 18806 98 1 17 "Average Difference" HA 24 0.392 0.198 0.345 18806 99 1 17 "Average Difference" C 22 0.782 -0.073 0.797 18806 100 1 17 "Average Difference" CA 24 1.254 0.025 1.280 18806 101 1 17 "Average Difference" CB 23 1.284 -0.153 1.303 18806 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18806 103 1 18 "Average Difference" N 22 3.273 0.824 3.242 18806 104 1 18 "Average Difference" HA 24 0.373 0.202 0.320 18806 105 1 18 "Average Difference" C 22 0.828 0.025 0.847 18806 106 1 18 "Average Difference" CA 24 1.327 -0.071 1.354 18806 107 1 18 "Average Difference" CB 23 1.305 -0.308 1.297 18806 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18806 109 1 19 "Average Difference" N 22 3.167 0.449 3.209 18806 110 1 19 "Average Difference" HA 24 0.437 0.231 0.379 18806 111 1 19 "Average Difference" C 22 0.641 0.018 0.656 18806 112 1 19 "Average Difference" CA 24 1.414 -0.092 1.441 18806 113 1 19 "Average Difference" CB 23 1.463 -0.196 1.483 18806 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18806 115 1 20 "Average Difference" N 22 3.018 0.501 3.046 18806 116 1 20 "Average Difference" HA 24 0.334 0.181 0.287 18806 117 1 20 "Average Difference" C 22 0.840 0.057 0.857 18806 118 1 20 "Average Difference" CA 24 1.020 -0.172 1.027 18806 119 1 20 "Average Difference" CB 23 1.299 -0.255 1.302 18806 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18806 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 18806 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 PRO HA H 3 4.147 4.147 4.499 -0.352 18806 2 1 . 1 1 3 3 PRO C C 3 176.083 176.083 175.575 0.508 18806 3 1 . 1 1 3 3 PRO CA C 3 63.415 63.415 62.261 1.154 18806 4 1 . 1 1 3 3 PRO CB C 3 31.877 31.877 32.234 -0.357 18806 5 1 . 1 1 4 4 TYR N N 4 117.838 117.838 122.177 -4.339 18806 6 1 . 1 1 4 4 TYR HA H 4 4.460 4.460 4.700 -0.240 18806 7 1 . 1 1 4 4 TYR C C 4 174.569 174.569 175.413 -0.844 18806 8 1 . 1 1 4 4 TYR CA C 4 56.770 56.770 56.955 -0.185 18806 9 1 . 1 1 4 4 TYR CB C 4 38.430 38.430 39.086 -0.656 18806 10 1 . 1 1 5 5 GLN N N 5 123.036 123.036 122.623 0.413 18806 11 1 . 1 1 5 5 GLN HA H 5 4.877 4.877 4.833 0.044 18806 12 1 . 1 1 5 5 GLN C C 5 175.122 175.122 175.225 -0.103 18806 13 1 . 1 1 5 5 GLN CA C 5 54.558 54.558 54.991 -0.433 18806 14 1 . 1 1 5 5 GLN CB C 5 31.592 31.592 30.108 1.484 18806 15 1 . 1 1 6 6 CYS N N 6 125.821 125.821 123.893 1.928 18806 16 1 . 1 1 6 6 CYS HA H 6 4.277 4.277 4.687 -0.410 18806 17 1 . 1 1 6 6 CYS C C 6 176.578 176.578 175.497 1.081 18806 18 1 . 1 1 6 6 CYS CA C 6 60.245 60.245 59.409 0.836 18806 19 1 . 1 1 6 6 CYS CB C 6 30.278 30.278 28.831 1.447 18806 20 1 . 1 1 7 7 ASP N N 7 129.841 129.841 129.280 0.561 18806 21 1 . 1 1 7 7 ASP HA H 7 4.216 4.216 4.409 -0.193 18806 22 1 . 1 1 7 7 ASP C C 7 175.676 175.676 175.995 -0.319 18806 23 1 . 1 1 7 7 ASP CA C 7 56.350 56.350 56.517 -0.167 18806 24 1 . 1 1 7 7 ASP CB C 7 40.743 40.743 40.502 0.241 18806 25 1 . 1 1 8 8 TYR N N 8 119.023 119.023 116.290 2.733 18806 26 1 . 1 1 8 8 TYR HA H 8 4.240 4.240 4.641 -0.401 18806 27 1 . 1 1 8 8 TYR C C 8 176.440 176.440 176.443 -0.003 18806 28 1 . 1 1 8 8 TYR CA C 8 59.546 59.546 58.510 1.036 18806 29 1 . 1 1 8 8 TYR CB C 8 38.060 38.060 38.655 -0.595 18806 30 1 . 1 1 9 9 CYS N N 9 115.815 115.815 117.375 -1.560 18806 31 1 . 1 1 9 9 CYS HA H 9 5.038 5.038 4.813 0.225 18806 32 1 . 1 1 9 9 CYS C C 9 175.815 175.815 176.146 -0.331 18806 33 1 . 1 1 9 9 CYS CA C 9 58.310 58.310 60.110 -1.800 18806 34 1 . 1 1 9 9 CYS CB C 9 32.273 32.273 30.296 1.977 18806 35 1 . 1 1 10 10 GLY N N 10 111.402 111.402 109.098 2.304 18806 36 1 . 1 1 10 10 GLY C C 10 173.932 173.932 173.435 0.497 18806 37 1 . 1 1 10 10 GLY CA C 10 46.039 46.039 45.357 0.682 18806 38 1 . 1 1 11 11 ARG N N 11 122.427 122.427 120.945 1.482 18806 39 1 . 1 1 11 11 ARG HA H 11 3.928 3.928 4.283 -0.354 18806 40 1 . 1 1 11 11 ARG C C 11 174.220 174.220 174.744 -0.524 18806 41 1 . 1 1 11 11 ARG CA C 11 57.602 57.602 54.917 2.685 18806 42 1 . 1 1 11 11 ARG CB C 11 31.248 31.248 31.218 0.030 18806 43 1 . 1 1 12 12 SER N N 12 115.605 115.605 121.087 -5.482 18806 44 1 . 1 1 12 12 SER HA H 12 4.896 4.896 4.598 0.298 18806 45 1 . 1 1 12 12 SER C C 12 172.775 172.775 173.634 -0.859 18806 46 1 . 1 1 12 12 SER CA C 12 57.311 57.311 57.920 -0.609 18806 47 1 . 1 1 12 12 SER CB C 12 65.516 65.516 63.333 2.183 18806 48 1 . 1 1 13 13 PHE N N 13 118.534 118.534 125.709 -7.175 18806 49 1 . 1 1 13 13 PHE HA H 13 4.591 4.591 4.668 -0.077 18806 50 1 . 1 1 13 13 PHE C C 13 175.330 175.330 176.428 -1.099 18806 51 1 . 1 1 13 13 PHE CA C 13 57.369 57.369 57.288 0.082 18806 52 1 . 1 1 13 13 PHE CB C 13 43.443 43.443 40.183 3.260 18806 53 1 . 1 1 14 14 SER N N 14 114.545 114.545 117.362 -2.817 18806 54 1 . 1 1 14 14 SER HA H 14 4.491 4.491 4.524 -0.033 18806 55 1 . 1 1 14 14 SER C C 14 173.113 173.113 173.618 -0.505 18806 56 1 . 1 1 14 14 SER CA C 14 59.545 59.545 59.046 0.499 18806 57 1 . 1 1 14 14 SER CB C 14 64.037 64.037 63.482 0.555 18806 58 1 . 1 1 15 15 ASP N N 15 117.860 117.860 121.133 -3.273 18806 59 1 . 1 1 15 15 ASP HA H 15 4.704 4.704 5.105 -0.401 18806 60 1 . 1 1 15 15 ASP CA C 15 51.697 51.697 51.685 0.012 18806 61 1 . 1 1 15 15 ASP CB C 15 42.344 42.344 43.091 -0.747 18806 62 1 . 1 1 16 16 PRO HA H 16 3.556 3.556 3.984 -0.428 18806 63 1 . 1 1 16 16 PRO C C 16 178.801 178.801 177.662 1.139 18806 64 1 . 1 1 16 16 PRO CA C 16 64.377 64.377 65.005 -0.628 18806 65 1 . 1 1 16 16 PRO CB C 16 31.568 31.568 31.795 -0.227 18806 66 1 . 1 1 17 17 THR N N 17 117.621 117.621 112.349 5.272 18806 67 1 . 1 1 17 17 THR HA H 17 3.759 3.759 4.122 -0.363 18806 68 1 . 1 1 17 17 THR C C 17 176.424 176.424 176.481 -0.057 18806 69 1 . 1 1 17 17 THR CA C 17 66.554 66.554 66.003 0.551 18806 70 1 . 1 1 17 17 THR CB C 17 67.664 67.664 68.452 -0.788 18806 71 1 . 1 1 18 18 SER N N 18 119.883 119.883 117.269 2.614 18806 72 1 . 1 1 18 18 SER HA H 18 3.871 3.871 4.270 -0.399 18806 73 1 . 1 1 18 18 SER C C 18 177.038 177.038 176.046 0.992 18806 74 1 . 1 1 18 18 SER CA C 18 61.906 61.906 61.458 0.448 18806 75 1 . 1 1 18 18 SER CB C 18 61.877 61.877 62.764 -0.887 18806 76 1 . 1 1 19 19 LYS N N 19 121.563 121.563 121.679 -0.116 18806 77 1 . 1 1 19 19 LYS HA H 19 2.613 2.613 3.533 -0.920 18806 78 1 . 1 1 19 19 LYS C C 19 176.639 176.639 177.939 -1.300 18806 79 1 . 1 1 19 19 LYS CA C 19 59.487 59.487 58.761 0.726 18806 80 1 . 1 1 19 19 LYS CB C 19 31.586 31.586 32.172 -0.586 18806 81 1 . 1 1 20 20 MET N N 20 118.908 118.908 119.513 -0.605 18806 82 1 . 1 1 20 20 MET HA H 20 3.927 3.927 4.306 -0.379 18806 83 1 . 1 1 20 20 MET C C 20 178.910 178.910 177.974 0.936 18806 84 1 . 1 1 20 20 MET CA C 20 58.719 58.719 57.381 1.338 18806 85 1 . 1 1 20 20 MET CB C 20 31.756 31.756 32.266 -0.510 18806 86 1 . 1 1 21 21 ARG N N 21 118.164 118.164 119.097 -0.933 18806 87 1 . 1 1 21 21 ARG HA H 21 3.905 3.905 4.048 -0.143 18806 88 1 . 1 1 21 21 ARG C C 21 179.107 179.107 178.579 0.528 18806 89 1 . 1 1 21 21 ARG CA C 21 58.807 58.807 59.351 -0.545 18806 90 1 . 1 1 21 21 ARG CB C 21 30.101 30.101 29.717 0.384 18806 91 1 . 1 1 22 22 HIS N N 22 117.794 117.794 119.861 -2.067 18806 92 1 . 1 1 22 22 HIS HA H 22 4.167 4.167 4.271 -0.104 18806 93 1 . 1 1 22 22 HIS C C 22 178.014 178.014 177.257 0.757 18806 94 1 . 1 1 22 22 HIS CA C 22 58.912 58.912 59.489 -0.577 18806 95 1 . 1 1 22 22 HIS CB C 22 27.921 27.921 29.587 -1.666 18806 96 1 . 1 1 23 23 LEU N N 23 122.319 122.319 119.052 3.266 18806 97 1 . 1 1 23 23 LEU HA H 23 3.784 3.784 4.247 -0.463 18806 98 1 . 1 1 23 23 LEU C C 23 179.021 179.021 178.949 0.072 18806 99 1 . 1 1 23 23 LEU CA C 23 58.592 58.592 57.770 0.822 18806 100 1 . 1 1 23 23 LEU CB C 23 41.658 41.658 41.644 0.014 18806 101 1 . 1 1 24 24 GLU N N 24 116.297 116.297 117.987 -1.690 18806 102 1 . 1 1 24 24 GLU HA H 24 3.992 3.992 4.126 -0.135 18806 103 1 . 1 1 24 24 GLU C C 24 178.251 178.251 178.732 -0.481 18806 104 1 . 1 1 24 24 GLU CA C 24 58.329 58.329 59.032 -0.703 18806 105 1 . 1 1 24 24 GLU CB C 24 29.417 29.417 29.494 -0.077 18806 106 1 . 1 1 25 25 THR N N 25 108.890 108.890 113.575 -4.685 18806 107 1 . 1 1 25 25 THR HA H 25 4.010 4.010 4.179 -0.169 18806 108 1 . 1 1 25 25 THR C C 25 175.170 175.170 175.254 -0.084 18806 109 1 . 1 1 25 25 THR CA C 25 63.499 63.499 64.346 -0.847 18806 110 1 . 1 1 25 25 THR CB C 25 69.177 69.177 68.564 0.613 18806 111 1 . 1 1 26 26 HIS N N 26 118.044 118.044 118.760 -0.716 18806 112 1 . 1 1 26 26 HIS HA H 26 4.467 4.467 4.392 0.075 18806 113 1 . 1 1 26 26 HIS CA C 26 55.261 55.261 57.767 -2.506 18806 114 1 . 1 1 26 26 HIS CB C 26 28.642 28.642 29.671 -1.029 18806 stop_ save_