data_18206 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18206 _Entry.PDB_ID 2LOC 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 18206 _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 4 4 ARG N N 4 120.207 120.207 121.738 -1.531 18206 2 1 1 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.067 0.239 18206 3 1 1 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.770 -1.571 18206 4 1 1 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.801 0.437 18206 5 1 1 . 1 1 4 4 ARG H H 4 8.773 8.773 8.785 -0.012 18206 6 1 1 . 1 1 5 5 CYS N N 5 118.725 118.725 119.677 -0.952 18206 7 1 1 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.269 0.500 18206 8 1 1 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.367 -7.272 18206 9 1 1 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.784 13.577 18206 10 1 1 . 1 1 5 5 CYS H H 5 8.433 8.433 8.295 0.138 18206 11 1 1 . 1 1 6 6 CYS N N 6 115.197 115.197 118.703 -3.506 18206 12 1 1 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.132 0.432 18206 13 1 1 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.288 -5.034 18206 14 1 1 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.978 17.036 18206 15 1 1 . 1 1 6 6 CYS H H 6 8.334 8.334 8.636 -0.302 18206 16 1 1 . 1 1 7 7 LYS N N 7 120.670 120.670 118.538 2.132 18206 17 1 1 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.117 0.208 18206 18 1 1 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.544 -1.637 18206 19 1 1 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.478 0.431 18206 20 1 1 . 1 1 7 7 LYS H H 7 7.978 7.978 8.316 -0.338 18206 21 1 1 . 1 1 8 8 ASN N N 8 117.984 117.984 115.923 2.061 18206 22 1 1 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.697 0.106 18206 23 1 1 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.098 -0.886 18206 24 1 1 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.849 -1.020 18206 25 1 1 . 1 1 8 8 ASN H H 8 8.646 8.646 8.199 0.447 18206 26 1 1 . 1 1 9 9 GLY N N 9 108.754 108.754 110.209 -1.455 18206 27 1 1 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.035 -1.288 18206 28 1 1 . 1 1 9 9 GLY H H 9 8.335 8.335 8.588 -0.253 18206 29 1 1 . 1 1 10 10 LYS N N 10 121.997 121.997 124.659 -2.662 18206 30 1 1 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.080 0.201 18206 31 1 1 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.377 -0.690 18206 32 1 1 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.285 -2.352 18206 33 1 1 . 1 1 10 10 LYS H H 10 8.623 8.623 8.432 0.191 18206 34 1 1 . 1 1 11 11 ARG N N 11 119.929 119.929 115.487 4.442 18206 35 1 1 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.355 -0.092 18206 36 1 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.203 0.179 18206 37 1 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.708 -0.671 18206 38 1 1 . 1 1 11 11 ARG H H 11 8.339 8.339 8.114 0.225 18206 39 1 1 . 1 1 12 12 GLY N N 12 107.982 107.982 106.552 1.430 18206 40 1 1 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.950 0.352 18206 41 1 1 . 1 1 12 12 GLY H H 12 8.099 8.099 7.421 0.678 18206 42 1 1 . 1 1 13 13 CYS N N 13 118.834 118.834 120.860 -2.026 18206 43 1 1 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.366 0.357 18206 44 1 1 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.183 -3.900 18206 45 1 1 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.942 17.185 18206 46 1 1 . 1 1 13 13 CYS H H 13 8.172 8.172 7.698 0.474 18206 47 1 1 . 1 1 14 14 GLY N N 14 111.154 111.154 113.851 -2.697 18206 48 1 1 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.097 -0.688 18206 49 1 1 . 1 1 14 14 GLY H H 14 8.499 8.499 7.740 0.759 18206 50 1 1 . 1 1 15 15 ARG N N 15 119.836 119.836 119.807 0.029 18206 51 1 1 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.033 -0.220 18206 52 1 1 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.070 1.049 18206 53 1 1 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.502 -0.144 18206 54 1 1 . 1 1 15 15 ARG H H 15 8.601 8.601 8.795 -0.194 18206 55 1 1 . 1 1 16 16 TRP N N 16 118.904 118.904 122.140 -3.236 18206 56 1 1 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.602 -0.192 18206 57 1 1 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.428 1.515 18206 58 1 1 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.263 -0.533 18206 59 1 1 . 1 1 16 16 TRP H H 16 8.787 8.787 8.084 0.703 18206 60 1 1 . 1 1 17 17 CYS N N 17 118.726 118.726 120.404 -1.678 18206 61 1 1 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.122 0.311 18206 62 1 1 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.705 -1.613 18206 63 1 1 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.786 12.765 18206 64 1 1 . 1 1 17 17 CYS H H 17 9.016 9.016 8.779 0.237 18206 65 1 1 . 1 1 18 18 ARG N N 18 121.997 121.997 119.327 2.670 18206 66 1 1 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.935 0.012 18206 67 1 1 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.495 0.497 18206 68 1 1 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.078 -0.122 18206 69 1 1 . 1 1 18 18 ARG H H 18 8.824 8.824 8.761 0.063 18206 70 1 1 . 1 1 19 19 ASP N N 19 116.281 116.281 114.439 1.842 18206 71 1 1 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.467 -0.026 18206 72 1 1 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.910 -0.603 18206 73 1 1 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.749 -0.752 18206 74 1 1 . 1 1 19 19 ASP H H 19 7.677 7.677 7.560 0.117 18206 75 1 1 . 1 1 20 20 HIS N N 20 113.786 113.786 116.172 -2.386 18206 76 1 1 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.511 -0.020 18206 77 1 1 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.986 -0.145 18206 78 1 1 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.683 -1.421 18206 79 1 1 . 1 1 20 20 HIS H H 20 7.523 7.523 8.326 -0.803 18206 80 1 1 . 1 1 21 21 SER N N 21 115.298 115.298 114.979 0.319 18206 81 1 1 . 1 1 21 21 SER HA H 21 4.868 4.868 4.579 0.289 18206 82 1 1 . 1 1 21 21 SER CA C 21 57.831 57.831 57.599 0.232 18206 83 1 1 . 1 1 21 21 SER CB C 21 66.406 66.406 64.689 1.717 18206 84 1 1 . 1 1 21 21 SER H H 21 8.084 8.084 8.061 0.023 18206 85 1 1 . 1 1 22 22 ARG N N 22 125.670 125.670 122.261 3.409 18206 86 1 1 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.285 0.127 18206 87 1 1 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.793 0.245 18206 88 1 1 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.344 -0.566 18206 89 1 1 . 1 1 22 22 ARG H H 22 9.189 9.189 8.497 0.692 18206 90 1 1 . 1 1 23 23 CYS N N 23 116.441 116.441 118.671 -2.230 18206 91 1 1 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.628 -0.131 18206 92 1 1 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.488 -0.659 18206 93 1 1 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.060 17.467 18206 94 1 1 . 1 1 23 23 CYS H H 23 8.338 8.338 8.174 0.164 18206 95 1 2 . 1 1 4 4 ARG N N 4 120.207 120.207 121.859 -1.652 18206 96 1 2 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.123 0.183 18206 97 1 2 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.517 -1.318 18206 98 1 2 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.541 0.697 18206 99 1 2 . 1 1 4 4 ARG H H 4 8.773 8.773 9.003 -0.230 18206 100 1 2 . 1 1 5 5 CYS N N 5 118.725 118.725 119.557 -0.832 18206 101 1 2 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.553 0.216 18206 102 1 2 . 1 1 5 5 CYS CA C 5 56.095 56.095 61.892 -5.797 18206 103 1 2 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.122 13.239 18206 104 1 2 . 1 1 5 5 CYS H H 5 8.433 8.433 8.496 -0.063 18206 105 1 2 . 1 1 6 6 CYS N N 6 115.197 115.197 118.742 -3.545 18206 106 1 2 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.138 0.426 18206 107 1 2 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.833 -5.579 18206 108 1 2 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.218 16.796 18206 109 1 2 . 1 1 6 6 CYS H H 6 8.334 8.334 8.476 -0.142 18206 110 1 2 . 1 1 7 7 LYS N N 7 120.670 120.670 118.794 1.876 18206 111 1 2 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.162 0.163 18206 112 1 2 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.294 -1.387 18206 113 1 2 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.428 0.481 18206 114 1 2 . 1 1 7 7 LYS H H 7 7.978 7.978 8.429 -0.451 18206 115 1 2 . 1 1 8 8 ASN N N 8 117.984 117.984 116.513 1.471 18206 116 1 2 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.691 0.112 18206 117 1 2 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.279 -1.067 18206 118 1 2 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.141 -1.313 18206 119 1 2 . 1 1 8 8 ASN H H 8 8.646 8.646 8.175 0.471 18206 120 1 2 . 1 1 9 9 GLY N N 9 108.754 108.754 109.781 -1.027 18206 121 1 2 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.838 -1.091 18206 122 1 2 . 1 1 9 9 GLY H H 9 8.335 8.335 8.709 -0.374 18206 123 1 2 . 1 1 10 10 LYS N N 10 121.997 121.997 124.423 -2.426 18206 124 1 2 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.028 0.253 18206 125 1 2 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.692 -1.005 18206 126 1 2 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.304 -2.371 18206 127 1 2 . 1 1 10 10 LYS H H 10 8.623 8.623 8.371 0.252 18206 128 1 2 . 1 1 11 11 ARG N N 11 119.929 119.929 116.836 3.093 18206 129 1 2 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.289 -0.026 18206 130 1 2 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.138 0.244 18206 131 1 2 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.588 -0.551 18206 132 1 2 . 1 1 11 11 ARG H H 11 8.339 8.339 7.959 0.380 18206 133 1 2 . 1 1 12 12 GLY N N 12 107.982 107.982 104.845 3.137 18206 134 1 2 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.464 0.838 18206 135 1 2 . 1 1 12 12 GLY H H 12 8.099 8.099 7.498 0.601 18206 136 1 2 . 1 1 13 13 CYS N N 13 118.834 118.834 121.116 -2.282 18206 137 1 2 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.862 -0.139 18206 138 1 2 . 1 1 13 13 CYS CA C 13 56.283 56.283 57.321 -1.038 18206 139 1 2 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.966 18.161 18206 140 1 2 . 1 1 13 13 CYS H H 13 8.172 8.172 7.809 0.363 18206 141 1 2 . 1 1 14 14 GLY N N 14 111.154 111.154 108.102 3.052 18206 142 1 2 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.031 0.378 18206 143 1 2 . 1 1 14 14 GLY H H 14 8.499 8.499 7.300 1.199 18206 144 1 2 . 1 1 15 15 ARG N N 15 119.836 119.836 120.168 -0.332 18206 145 1 2 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.009 -0.196 18206 146 1 2 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.218 -0.099 18206 147 1 2 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.316 0.042 18206 148 1 2 . 1 1 15 15 ARG H H 15 8.601 8.601 8.828 -0.227 18206 149 1 2 . 1 1 16 16 TRP N N 16 118.904 118.904 121.056 -2.152 18206 150 1 2 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.452 -0.042 18206 151 1 2 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.563 1.379 18206 152 1 2 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.810 -0.080 18206 153 1 2 . 1 1 16 16 TRP H H 16 8.787 8.787 8.421 0.366 18206 154 1 2 . 1 1 17 17 CYS N N 17 118.726 118.726 119.110 -0.384 18206 155 1 2 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.971 0.462 18206 156 1 2 . 1 1 17 17 CYS CA C 17 59.092 59.092 61.958 -2.866 18206 157 1 2 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.357 12.194 18206 158 1 2 . 1 1 17 17 CYS H H 17 9.016 9.016 8.066 0.950 18206 159 1 2 . 1 1 18 18 ARG N N 18 121.997 121.997 120.422 1.575 18206 160 1 2 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.955 -0.008 18206 161 1 2 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.569 0.423 18206 162 1 2 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.050 -0.094 18206 163 1 2 . 1 1 18 18 ARG H H 18 8.824 8.824 8.140 0.683 18206 164 1 2 . 1 1 19 19 ASP N N 19 116.281 116.281 116.034 0.247 18206 165 1 2 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.453 -0.012 18206 166 1 2 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.991 -0.684 18206 167 1 2 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.865 -0.868 18206 168 1 2 . 1 1 19 19 ASP H H 19 7.677 7.677 7.952 -0.275 18206 169 1 2 . 1 1 20 20 HIS N N 20 113.786 113.786 116.552 -2.766 18206 170 1 2 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.431 0.060 18206 171 1 2 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.079 -0.238 18206 172 1 2 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.446 -1.184 18206 173 1 2 . 1 1 20 20 HIS H H 20 7.523 7.523 8.334 -0.811 18206 174 1 2 . 1 1 21 21 SER N N 21 115.298 115.298 113.337 1.961 18206 175 1 2 . 1 1 21 21 SER HA H 21 4.868 4.868 4.485 0.383 18206 176 1 2 . 1 1 21 21 SER CA C 21 57.831 57.831 56.863 0.968 18206 177 1 2 . 1 1 21 21 SER CB C 21 66.406 66.406 64.803 1.603 18206 178 1 2 . 1 1 21 21 SER H H 21 8.084 8.084 7.917 0.167 18206 179 1 2 . 1 1 22 22 ARG N N 22 125.670 125.670 120.964 4.706 18206 180 1 2 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.435 -0.023 18206 181 1 2 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.831 1.207 18206 182 1 2 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.061 -0.283 18206 183 1 2 . 1 1 22 22 ARG H H 22 9.189 9.189 8.500 0.689 18206 184 1 2 . 1 1 23 23 CYS N N 23 116.441 116.441 118.738 -2.297 18206 185 1 2 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.698 -0.201 18206 186 1 2 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.792 -0.963 18206 187 1 2 . 1 1 23 23 CYS CB C 23 44.527 44.527 28.598 15.929 18206 188 1 2 . 1 1 23 23 CYS H H 23 8.338 8.338 7.810 0.528 18206 189 1 3 . 1 1 4 4 ARG N N 4 120.207 120.207 122.373 -2.166 18206 190 1 3 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.096 0.210 18206 191 1 3 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.171 -0.972 18206 192 1 3 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.437 0.801 18206 193 1 3 . 1 1 4 4 ARG H H 4 8.773 8.773 8.798 -0.025 18206 194 1 3 . 1 1 5 5 CYS N N 5 118.725 118.725 119.018 -0.293 18206 195 1 3 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.349 0.420 18206 196 1 3 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.652 -6.557 18206 197 1 3 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.262 13.099 18206 198 1 3 . 1 1 5 5 CYS H H 5 8.433 8.433 8.787 -0.354 18206 199 1 3 . 1 1 6 6 CYS N N 6 115.197 115.197 117.714 -2.517 18206 200 1 3 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.294 0.270 18206 201 1 3 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.586 -4.332 18206 202 1 3 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.834 17.180 18206 203 1 3 . 1 1 6 6 CYS H H 6 8.334 8.334 8.594 -0.260 18206 204 1 3 . 1 1 7 7 LYS N N 7 120.670 120.670 119.941 0.729 18206 205 1 3 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.338 -0.013 18206 206 1 3 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.104 -1.197 18206 207 1 3 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.825 0.084 18206 208 1 3 . 1 1 7 7 LYS H H 7 7.978 7.978 8.319 -0.341 18206 209 1 3 . 1 1 8 8 ASN N N 8 117.984 117.984 116.607 1.377 18206 210 1 3 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.860 -0.057 18206 211 1 3 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.964 -0.752 18206 212 1 3 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.979 -2.151 18206 213 1 3 . 1 1 8 8 ASN H H 8 8.646 8.646 8.387 0.259 18206 214 1 3 . 1 1 9 9 GLY N N 9 108.754 108.754 109.995 -1.241 18206 215 1 3 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.858 -1.111 18206 216 1 3 . 1 1 9 9 GLY H H 9 8.335 8.335 7.900 0.435 18206 217 1 3 . 1 1 10 10 LYS N N 10 121.997 121.997 124.644 -2.647 18206 218 1 3 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.109 0.172 18206 219 1 3 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.199 -0.512 18206 220 1 3 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.401 -2.468 18206 221 1 3 . 1 1 10 10 LYS H H 10 8.623 8.623 8.397 0.226 18206 222 1 3 . 1 1 11 11 ARG N N 11 119.929 119.929 115.960 3.969 18206 223 1 3 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.311 -0.048 18206 224 1 3 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.247 0.135 18206 225 1 3 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.592 -0.555 18206 226 1 3 . 1 1 11 11 ARG H H 11 8.339 8.339 7.965 0.374 18206 227 1 3 . 1 1 12 12 GLY N N 12 107.982 107.982 106.786 1.196 18206 228 1 3 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.014 0.288 18206 229 1 3 . 1 1 12 12 GLY H H 12 8.099 8.099 7.422 0.677 18206 230 1 3 . 1 1 13 13 CYS N N 13 118.834 118.834 119.362 -0.528 18206 231 1 3 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.253 0.470 18206 232 1 3 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.787 -4.504 18206 233 1 3 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.815 17.312 18206 234 1 3 . 1 1 13 13 CYS H H 13 8.172 8.172 7.609 0.563 18206 235 1 3 . 1 1 14 14 GLY N N 14 111.154 111.154 113.003 -1.849 18206 236 1 3 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.647 -0.237 18206 237 1 3 . 1 1 14 14 GLY H H 14 8.499 8.499 7.639 0.860 18206 238 1 3 . 1 1 15 15 ARG N N 15 119.836 119.836 120.866 -1.030 18206 239 1 3 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.133 -0.320 18206 240 1 3 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.486 0.633 18206 241 1 3 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.105 0.253 18206 242 1 3 . 1 1 15 15 ARG H H 15 8.601 8.601 8.877 -0.276 18206 243 1 3 . 1 1 16 16 TRP N N 16 118.904 118.904 120.044 -1.140 18206 244 1 3 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.391 0.019 18206 245 1 3 . 1 1 16 16 TRP CA C 16 62.943 62.943 60.987 1.956 18206 246 1 3 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.771 -0.041 18206 247 1 3 . 1 1 16 16 TRP H H 16 8.787 8.787 7.908 0.879 18206 248 1 3 . 1 1 17 17 CYS N N 17 118.726 118.726 119.462 -0.736 18206 249 1 3 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.938 0.495 18206 250 1 3 . 1 1 17 17 CYS CA C 17 59.092 59.092 62.203 -3.111 18206 251 1 3 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.051 12.500 18206 252 1 3 . 1 1 17 17 CYS H H 17 9.016 9.016 8.798 0.218 18206 253 1 3 . 1 1 18 18 ARG N N 18 121.997 121.997 120.187 1.810 18206 254 1 3 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.975 -0.028 18206 255 1 3 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.676 0.316 18206 256 1 3 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.172 -0.216 18206 257 1 3 . 1 1 18 18 ARG H H 18 8.824 8.824 8.732 0.092 18206 258 1 3 . 1 1 19 19 ASP N N 19 116.281 116.281 114.962 1.319 18206 259 1 3 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.523 -0.082 18206 260 1 3 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.058 -0.751 18206 261 1 3 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.875 -0.878 18206 262 1 3 . 1 1 19 19 ASP H H 19 7.677 7.677 7.978 -0.301 18206 263 1 3 . 1 1 20 20 HIS N N 20 113.786 113.786 116.058 -2.272 18206 264 1 3 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.421 0.070 18206 265 1 3 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.517 -0.676 18206 266 1 3 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.289 -2.027 18206 267 1 3 . 1 1 20 20 HIS H H 20 7.523 7.523 8.452 -0.929 18206 268 1 3 . 1 1 21 21 SER N N 21 115.298 115.298 113.798 1.500 18206 269 1 3 . 1 1 21 21 SER HA H 21 4.868 4.868 4.554 0.314 18206 270 1 3 . 1 1 21 21 SER CA C 21 57.831 57.831 57.264 0.567 18206 271 1 3 . 1 1 21 21 SER CB C 21 66.406 66.406 65.315 1.091 18206 272 1 3 . 1 1 21 21 SER H H 21 8.084 8.084 7.892 0.192 18206 273 1 3 . 1 1 22 22 ARG N N 22 125.670 125.670 121.688 3.982 18206 274 1 3 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.531 -0.119 18206 275 1 3 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.696 0.342 18206 276 1 3 . 1 1 22 22 ARG CB C 22 29.778 29.778 31.370 -1.592 18206 277 1 3 . 1 1 22 22 ARG H H 22 9.189 9.189 8.565 0.624 18206 278 1 3 . 1 1 23 23 CYS N N 23 116.441 116.441 118.768 -2.327 18206 279 1 3 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.582 -0.085 18206 280 1 3 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.121 -2.292 18206 281 1 3 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.993 16.534 18206 282 1 3 . 1 1 23 23 CYS H H 23 8.338 8.338 8.183 0.155 18206 283 1 4 . 1 1 4 4 ARG N N 4 120.207 120.207 121.961 -1.754 18206 284 1 4 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.045 0.261 18206 285 1 4 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.675 -1.476 18206 286 1 4 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.828 0.410 18206 287 1 4 . 1 1 4 4 ARG H H 4 8.773 8.773 8.688 0.085 18206 288 1 4 . 1 1 5 5 CYS N N 5 118.725 118.725 119.265 -0.540 18206 289 1 4 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.188 0.581 18206 290 1 4 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.430 -7.335 18206 291 1 4 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.919 13.442 18206 292 1 4 . 1 1 5 5 CYS H H 5 8.433 8.433 8.145 0.288 18206 293 1 4 . 1 1 6 6 CYS N N 6 115.197 115.197 118.051 -2.854 18206 294 1 4 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.173 0.391 18206 295 1 4 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.629 -4.375 18206 296 1 4 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.754 17.260 18206 297 1 4 . 1 1 6 6 CYS H H 6 8.334 8.334 8.475 -0.141 18206 298 1 4 . 1 1 7 7 LYS N N 7 120.670 120.670 118.638 2.032 18206 299 1 4 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.196 0.129 18206 300 1 4 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.318 -1.411 18206 301 1 4 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.628 0.281 18206 302 1 4 . 1 1 7 7 LYS H H 7 7.978 7.978 8.178 -0.200 18206 303 1 4 . 1 1 8 8 ASN N N 8 117.984 117.984 116.490 1.494 18206 304 1 4 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.590 0.213 18206 305 1 4 . 1 1 8 8 ASN CA C 8 53.212 53.212 55.025 -1.813 18206 306 1 4 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.351 -0.523 18206 307 1 4 . 1 1 8 8 ASN H H 8 8.646 8.646 8.235 0.411 18206 308 1 4 . 1 1 9 9 GLY N N 9 108.754 108.754 110.121 -1.367 18206 309 1 4 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.977 -1.230 18206 310 1 4 . 1 1 9 9 GLY H H 9 8.335 8.335 8.662 -0.327 18206 311 1 4 . 1 1 10 10 LYS N N 10 121.997 121.997 124.263 -2.266 18206 312 1 4 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.137 0.144 18206 313 1 4 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.755 -0.068 18206 314 1 4 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.901 -1.968 18206 315 1 4 . 1 1 10 10 LYS H H 10 8.623 8.623 8.274 0.349 18206 316 1 4 . 1 1 11 11 ARG N N 11 119.929 119.929 115.975 3.954 18206 317 1 4 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.378 -0.115 18206 318 1 4 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.089 0.293 18206 319 1 4 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.480 -0.443 18206 320 1 4 . 1 1 11 11 ARG H H 11 8.339 8.339 8.147 0.192 18206 321 1 4 . 1 1 12 12 GLY N N 12 107.982 107.982 107.865 0.117 18206 322 1 4 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.389 -0.087 18206 323 1 4 . 1 1 12 12 GLY H H 12 8.099 8.099 7.502 0.597 18206 324 1 4 . 1 1 13 13 CYS N N 13 118.834 118.834 122.354 -3.520 18206 325 1 4 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.224 0.499 18206 326 1 4 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.758 -4.475 18206 327 1 4 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.617 18.510 18206 328 1 4 . 1 1 13 13 CYS H H 13 8.172 8.172 7.640 0.532 18206 329 1 4 . 1 1 14 14 GLY N N 14 111.154 111.154 113.865 -2.711 18206 330 1 4 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.014 -0.605 18206 331 1 4 . 1 1 14 14 GLY H H 14 8.499 8.499 7.545 0.954 18206 332 1 4 . 1 1 15 15 ARG N N 15 119.836 119.836 121.436 -1.600 18206 333 1 4 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.078 -0.265 18206 334 1 4 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.608 0.511 18206 335 1 4 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.348 0.011 18206 336 1 4 . 1 1 15 15 ARG H H 15 8.601 8.601 8.797 -0.196 18206 337 1 4 . 1 1 16 16 TRP N N 16 118.904 118.904 120.006 -1.102 18206 338 1 4 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.451 -0.041 18206 339 1 4 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.563 1.379 18206 340 1 4 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.037 -0.307 18206 341 1 4 . 1 1 16 16 TRP H H 16 8.787 8.787 8.210 0.577 18206 342 1 4 . 1 1 17 17 CYS N N 17 118.726 118.726 118.707 0.019 18206 343 1 4 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.158 0.275 18206 344 1 4 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.640 -1.548 18206 345 1 4 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.448 12.103 18206 346 1 4 . 1 1 17 17 CYS H H 17 9.016 9.016 8.616 0.400 18206 347 1 4 . 1 1 18 18 ARG N N 18 121.997 121.997 119.736 2.261 18206 348 1 4 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.232 -0.285 18206 349 1 4 . 1 1 18 18 ARG CA C 18 59.992 59.992 58.908 1.084 18206 350 1 4 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.368 -0.412 18206 351 1 4 . 1 1 18 18 ARG H H 18 8.824 8.824 8.494 0.330 18206 352 1 4 . 1 1 19 19 ASP N N 19 116.281 116.281 116.482 -0.201 18206 353 1 4 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.535 -0.094 18206 354 1 4 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.089 -0.782 18206 355 1 4 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.865 -0.869 18206 356 1 4 . 1 1 19 19 ASP H H 19 7.677 7.677 7.752 -0.075 18206 357 1 4 . 1 1 20 20 HIS N N 20 113.786 113.786 117.648 -3.862 18206 358 1 4 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.361 0.130 18206 359 1 4 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.712 -0.871 18206 360 1 4 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.511 -1.249 18206 361 1 4 . 1 1 20 20 HIS H H 20 7.523 7.523 8.226 -0.703 18206 362 1 4 . 1 1 21 21 SER N N 21 115.298 115.298 114.587 0.711 18206 363 1 4 . 1 1 21 21 SER HA H 21 4.868 4.868 4.249 0.619 18206 364 1 4 . 1 1 21 21 SER CA C 21 57.831 57.831 59.697 -1.866 18206 365 1 4 . 1 1 21 21 SER CB C 21 66.406 66.406 63.756 2.650 18206 366 1 4 . 1 1 21 21 SER H H 21 8.084 8.084 7.619 0.465 18206 367 1 4 . 1 1 22 22 ARG N N 22 125.670 125.670 123.239 2.431 18206 368 1 4 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.322 0.090 18206 369 1 4 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.678 0.360 18206 370 1 4 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.442 -0.664 18206 371 1 4 . 1 1 22 22 ARG H H 22 9.189 9.189 8.675 0.514 18206 372 1 4 . 1 1 23 23 CYS N N 23 116.441 116.441 118.759 -2.318 18206 373 1 4 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.572 -0.075 18206 374 1 4 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.863 -1.034 18206 375 1 4 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.007 17.520 18206 376 1 4 . 1 1 23 23 CYS H H 23 8.338 8.338 8.106 0.232 18206 377 1 5 . 1 1 4 4 ARG N N 4 120.207 120.207 121.924 -1.717 18206 378 1 5 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.078 0.228 18206 379 1 5 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.930 -0.731 18206 380 1 5 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.430 0.808 18206 381 1 5 . 1 1 4 4 ARG H H 4 8.773 8.773 8.771 0.002 18206 382 1 5 . 1 1 5 5 CYS N N 5 118.725 118.725 120.342 -1.617 18206 383 1 5 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.279 0.490 18206 384 1 5 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.349 -7.254 18206 385 1 5 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.730 13.631 18206 386 1 5 . 1 1 5 5 CYS H H 5 8.433 8.433 8.099 0.334 18206 387 1 5 . 1 1 6 6 CYS N N 6 115.197 115.197 118.589 -3.392 18206 388 1 5 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.162 0.402 18206 389 1 5 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.367 -5.114 18206 390 1 5 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.599 17.415 18206 391 1 5 . 1 1 6 6 CYS H H 6 8.334 8.334 8.717 -0.383 18206 392 1 5 . 1 1 7 7 LYS N N 7 120.670 120.670 119.174 1.496 18206 393 1 5 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.289 0.036 18206 394 1 5 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.409 -1.502 18206 395 1 5 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.817 0.092 18206 396 1 5 . 1 1 7 7 LYS H H 7 7.978 7.978 8.461 -0.483 18206 397 1 5 . 1 1 8 8 ASN N N 8 117.984 117.984 116.296 1.688 18206 398 1 5 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.907 -0.104 18206 399 1 5 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.502 -0.289 18206 400 1 5 . 1 1 8 8 ASN CB C 8 38.828 38.828 41.247 -2.419 18206 401 1 5 . 1 1 8 8 ASN H H 8 8.646 8.646 8.290 0.356 18206 402 1 5 . 1 1 9 9 GLY N N 9 108.754 108.754 109.328 -0.574 18206 403 1 5 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.303 -1.556 18206 404 1 5 . 1 1 9 9 GLY H H 9 8.335 8.335 8.660 -0.325 18206 405 1 5 . 1 1 10 10 LYS N N 10 121.997 121.997 123.969 -1.972 18206 406 1 5 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.090 0.191 18206 407 1 5 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.312 -0.625 18206 408 1 5 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.977 -2.045 18206 409 1 5 . 1 1 10 10 LYS H H 10 8.623 8.623 8.556 0.067 18206 410 1 5 . 1 1 11 11 ARG N N 11 119.929 119.929 115.245 4.684 18206 411 1 5 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.340 -0.077 18206 412 1 5 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.307 0.075 18206 413 1 5 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.672 -0.634 18206 414 1 5 . 1 1 11 11 ARG H H 11 8.339 8.339 8.270 0.069 18206 415 1 5 . 1 1 12 12 GLY N N 12 107.982 107.982 106.280 1.702 18206 416 1 5 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.869 0.433 18206 417 1 5 . 1 1 12 12 GLY H H 12 8.099 8.099 7.439 0.660 18206 418 1 5 . 1 1 13 13 CYS N N 13 118.834 118.834 122.285 -3.451 18206 419 1 5 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.475 0.248 18206 420 1 5 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.325 -4.042 18206 421 1 5 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.532 17.595 18206 422 1 5 . 1 1 13 13 CYS H H 13 8.172 8.172 8.101 0.071 18206 423 1 5 . 1 1 14 14 GLY N N 14 111.154 111.154 114.507 -3.353 18206 424 1 5 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.102 -0.693 18206 425 1 5 . 1 1 14 14 GLY H H 14 8.499 8.499 7.675 0.824 18206 426 1 5 . 1 1 15 15 ARG N N 15 119.836 119.836 120.877 -1.041 18206 427 1 5 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.088 -0.275 18206 428 1 5 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.222 -0.103 18206 429 1 5 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.268 0.090 18206 430 1 5 . 1 1 15 15 ARG H H 15 8.601 8.601 8.764 -0.163 18206 431 1 5 . 1 1 16 16 TRP N N 16 118.904 118.904 120.223 -1.319 18206 432 1 5 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.439 -0.029 18206 433 1 5 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.498 1.445 18206 434 1 5 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.976 -0.246 18206 435 1 5 . 1 1 16 16 TRP H H 16 8.787 8.787 8.276 0.511 18206 436 1 5 . 1 1 17 17 CYS N N 17 118.726 118.726 119.442 -0.716 18206 437 1 5 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.231 0.202 18206 438 1 5 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.558 -1.466 18206 439 1 5 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.907 12.644 18206 440 1 5 . 1 1 17 17 CYS H H 17 9.016 9.016 8.722 0.294 18206 441 1 5 . 1 1 18 18 ARG N N 18 121.997 121.997 120.329 1.668 18206 442 1 5 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.927 0.020 18206 443 1 5 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.582 0.410 18206 444 1 5 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.026 -0.070 18206 445 1 5 . 1 1 18 18 ARG H H 18 8.824 8.824 8.646 0.178 18206 446 1 5 . 1 1 19 19 ASP N N 19 116.281 116.281 114.886 1.395 18206 447 1 5 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.490 -0.049 18206 448 1 5 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.913 -0.606 18206 449 1 5 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.911 -0.914 18206 450 1 5 . 1 1 19 19 ASP H H 19 7.677 7.677 7.827 -0.150 18206 451 1 5 . 1 1 20 20 HIS N N 20 113.786 113.786 116.178 -2.392 18206 452 1 5 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.390 0.101 18206 453 1 5 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.680 -0.839 18206 454 1 5 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.100 -1.838 18206 455 1 5 . 1 1 20 20 HIS H H 20 7.523 7.523 8.375 -0.852 18206 456 1 5 . 1 1 21 21 SER N N 21 115.298 115.298 114.339 0.959 18206 457 1 5 . 1 1 21 21 SER HA H 21 4.868 4.868 4.411 0.457 18206 458 1 5 . 1 1 21 21 SER CA C 21 57.831 57.831 58.581 -0.750 18206 459 1 5 . 1 1 21 21 SER CB C 21 66.406 66.406 64.644 1.762 18206 460 1 5 . 1 1 21 21 SER H H 21 8.084 8.084 7.736 0.348 18206 461 1 5 . 1 1 22 22 ARG N N 22 125.670 125.670 121.283 4.387 18206 462 1 5 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.442 -0.030 18206 463 1 5 . 1 1 22 22 ARG CA C 22 57.038 57.038 57.192 -0.154 18206 464 1 5 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.841 -1.063 18206 465 1 5 . 1 1 22 22 ARG H H 22 9.189 9.189 8.614 0.575 18206 466 1 5 . 1 1 23 23 CYS N N 23 116.441 116.441 117.997 -1.556 18206 467 1 5 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.655 -0.158 18206 468 1 5 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.136 -0.307 18206 469 1 5 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.711 17.816 18206 470 1 5 . 1 1 23 23 CYS H H 23 8.338 8.338 8.199 0.139 18206 471 1 6 . 1 1 4 4 ARG N N 4 120.207 120.207 121.943 -1.736 18206 472 1 6 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.015 0.291 18206 473 1 6 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.434 -1.235 18206 474 1 6 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.567 0.671 18206 475 1 6 . 1 1 4 4 ARG H H 4 8.773 8.773 8.741 0.032 18206 476 1 6 . 1 1 5 5 CYS N N 5 118.725 118.725 117.923 0.802 18206 477 1 6 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.274 0.495 18206 478 1 6 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.077 -6.982 18206 479 1 6 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.203 13.158 18206 480 1 6 . 1 1 5 5 CYS H H 5 8.433 8.433 8.361 0.072 18206 481 1 6 . 1 1 6 6 CYS N N 6 115.197 115.197 119.726 -4.529 18206 482 1 6 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.229 0.335 18206 483 1 6 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.525 -5.271 18206 484 1 6 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.163 16.851 18206 485 1 6 . 1 1 6 6 CYS H H 6 8.334 8.334 8.439 -0.105 18206 486 1 6 . 1 1 7 7 LYS N N 7 120.670 120.670 119.404 1.266 18206 487 1 6 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.149 0.176 18206 488 1 6 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.564 -1.657 18206 489 1 6 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.267 0.642 18206 490 1 6 . 1 1 7 7 LYS H H 7 7.978 7.978 8.616 -0.638 18206 491 1 6 . 1 1 8 8 ASN N N 8 117.984 117.984 116.344 1.640 18206 492 1 6 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.847 -0.044 18206 493 1 6 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.982 -0.770 18206 494 1 6 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.884 -2.056 18206 495 1 6 . 1 1 8 8 ASN H H 8 8.646 8.646 8.011 0.635 18206 496 1 6 . 1 1 9 9 GLY N N 9 108.754 108.754 110.296 -1.542 18206 497 1 6 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.801 -1.054 18206 498 1 6 . 1 1 9 9 GLY H H 9 8.335 8.335 8.053 0.282 18206 499 1 6 . 1 1 10 10 LYS N N 10 121.997 121.997 124.508 -2.511 18206 500 1 6 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.215 0.066 18206 501 1 6 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.412 0.275 18206 502 1 6 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.973 -2.040 18206 503 1 6 . 1 1 10 10 LYS H H 10 8.623 8.623 8.301 0.322 18206 504 1 6 . 1 1 11 11 ARG N N 11 119.929 119.929 117.008 2.921 18206 505 1 6 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.278 -0.015 18206 506 1 6 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.587 -0.204 18206 507 1 6 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.278 -0.241 18206 508 1 6 . 1 1 11 11 ARG H H 11 8.339 8.339 7.870 0.469 18206 509 1 6 . 1 1 12 12 GLY N N 12 107.982 107.982 107.597 0.385 18206 510 1 6 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.521 -0.219 18206 511 1 6 . 1 1 12 12 GLY H H 12 8.099 8.099 7.412 0.687 18206 512 1 6 . 1 1 13 13 CYS N N 13 118.834 118.834 120.319 -1.485 18206 513 1 6 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.254 0.469 18206 514 1 6 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.775 -4.492 18206 515 1 6 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.877 18.250 18206 516 1 6 . 1 1 13 13 CYS H H 13 8.172 8.172 7.663 0.509 18206 517 1 6 . 1 1 14 14 GLY N N 14 111.154 111.154 112.289 -1.135 18206 518 1 6 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.789 -0.380 18206 519 1 6 . 1 1 14 14 GLY H H 14 8.499 8.499 7.736 0.763 18206 520 1 6 . 1 1 15 15 ARG N N 15 119.836 119.836 120.136 -0.300 18206 521 1 6 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.000 -0.187 18206 522 1 6 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.171 0.948 18206 523 1 6 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.460 -0.103 18206 524 1 6 . 1 1 15 15 ARG H H 15 8.601 8.601 8.807 -0.206 18206 525 1 6 . 1 1 16 16 TRP N N 16 118.904 118.904 121.845 -2.941 18206 526 1 6 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.596 -0.186 18206 527 1 6 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.414 1.529 18206 528 1 6 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.317 -0.587 18206 529 1 6 . 1 1 16 16 TRP H H 16 8.787 8.787 8.120 0.667 18206 530 1 6 . 1 1 17 17 CYS N N 17 118.726 118.726 119.239 -0.513 18206 531 1 6 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.196 0.237 18206 532 1 6 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.904 -1.812 18206 533 1 6 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.400 12.151 18206 534 1 6 . 1 1 17 17 CYS H H 17 9.016 9.016 8.639 0.377 18206 535 1 6 . 1 1 18 18 ARG N N 18 121.997 121.997 118.814 3.183 18206 536 1 6 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.040 -0.093 18206 537 1 6 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.035 0.957 18206 538 1 6 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.354 -0.398 18206 539 1 6 . 1 1 18 18 ARG H H 18 8.824 8.824 8.445 0.379 18206 540 1 6 . 1 1 19 19 ASP N N 19 116.281 116.281 116.963 -0.682 18206 541 1 6 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.514 -0.073 18206 542 1 6 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.048 -0.742 18206 543 1 6 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.951 -0.954 18206 544 1 6 . 1 1 19 19 ASP H H 19 7.677 7.677 7.656 0.021 18206 545 1 6 . 1 1 20 20 HIS N N 20 113.786 113.786 117.463 -3.677 18206 546 1 6 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.426 0.065 18206 547 1 6 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.830 -0.989 18206 548 1 6 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.933 -1.671 18206 549 1 6 . 1 1 20 20 HIS H H 20 7.523 7.523 8.315 -0.792 18206 550 1 6 . 1 1 21 21 SER N N 21 115.298 115.298 114.588 0.710 18206 551 1 6 . 1 1 21 21 SER HA H 21 4.868 4.868 4.359 0.509 18206 552 1 6 . 1 1 21 21 SER CA C 21 57.831 57.831 58.953 -1.122 18206 553 1 6 . 1 1 21 21 SER CB C 21 66.406 66.406 64.474 1.932 18206 554 1 6 . 1 1 21 21 SER H H 21 8.084 8.084 7.193 0.891 18206 555 1 6 . 1 1 22 22 ARG N N 22 125.670 125.670 121.555 4.115 18206 556 1 6 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.418 -0.006 18206 557 1 6 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.415 0.623 18206 558 1 6 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.473 -0.695 18206 559 1 6 . 1 1 22 22 ARG H H 22 9.189 9.189 8.623 0.566 18206 560 1 6 . 1 1 23 23 CYS N N 23 116.441 116.441 120.521 -4.080 18206 561 1 6 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.486 0.011 18206 562 1 6 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.227 -2.397 18206 563 1 6 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.856 17.671 18206 564 1 6 . 1 1 23 23 CYS H H 23 8.338 8.338 8.265 0.073 18206 565 1 7 . 1 1 4 4 ARG N N 4 120.207 120.207 121.507 -1.300 18206 566 1 7 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.003 0.303 18206 567 1 7 . 1 1 4 4 ARG CA C 4 57.199 57.199 59.019 -1.820 18206 568 1 7 . 1 1 4 4 ARG CB C 4 30.238 30.238 30.012 0.226 18206 569 1 7 . 1 1 4 4 ARG H H 4 8.773 8.773 8.677 0.096 18206 570 1 7 . 1 1 5 5 CYS N N 5 118.725 118.725 118.237 0.488 18206 571 1 7 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.370 0.399 18206 572 1 7 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.322 -7.227 18206 573 1 7 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.965 13.396 18206 574 1 7 . 1 1 5 5 CYS H H 5 8.433 8.433 8.129 0.304 18206 575 1 7 . 1 1 6 6 CYS N N 6 115.197 115.197 118.036 -2.839 18206 576 1 7 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.317 0.247 18206 577 1 7 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.522 -4.268 18206 578 1 7 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.583 17.431 18206 579 1 7 . 1 1 6 6 CYS H H 6 8.334 8.334 8.714 -0.380 18206 580 1 7 . 1 1 7 7 LYS N N 7 120.670 120.670 120.510 0.160 18206 581 1 7 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.441 -0.116 18206 582 1 7 . 1 1 7 7 LYS CA C 7 56.907 56.907 57.808 -0.901 18206 583 1 7 . 1 1 7 7 LYS CB C 7 32.909 32.909 33.060 -0.151 18206 584 1 7 . 1 1 7 7 LYS H H 7 7.978 7.978 8.225 -0.247 18206 585 1 7 . 1 1 8 8 ASN N N 8 117.984 117.984 116.868 1.116 18206 586 1 7 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.822 -0.019 18206 587 1 7 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.997 -0.785 18206 588 1 7 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.661 -1.833 18206 589 1 7 . 1 1 8 8 ASN H H 8 8.646 8.646 8.384 0.262 18206 590 1 7 . 1 1 9 9 GLY N N 9 108.754 108.754 109.682 -0.928 18206 591 1 7 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.023 -1.276 18206 592 1 7 . 1 1 9 9 GLY H H 9 8.335 8.335 7.878 0.457 18206 593 1 7 . 1 1 10 10 LYS N N 10 121.997 121.997 124.747 -2.750 18206 594 1 7 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.068 0.213 18206 595 1 7 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.470 -0.783 18206 596 1 7 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.203 -2.270 18206 597 1 7 . 1 1 10 10 LYS H H 10 8.623 8.623 8.474 0.149 18206 598 1 7 . 1 1 11 11 ARG N N 11 119.929 119.929 116.115 3.814 18206 599 1 7 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.316 -0.053 18206 600 1 7 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.520 -0.138 18206 601 1 7 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.517 -0.480 18206 602 1 7 . 1 1 11 11 ARG H H 11 8.339 8.339 8.085 0.254 18206 603 1 7 . 1 1 12 12 GLY N N 12 107.982 107.982 107.748 0.234 18206 604 1 7 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.310 -0.008 18206 605 1 7 . 1 1 12 12 GLY H H 12 8.099 8.099 7.264 0.835 18206 606 1 7 . 1 1 13 13 CYS N N 13 118.834 118.834 120.755 -1.921 18206 607 1 7 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.121 0.602 18206 608 1 7 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.290 -4.007 18206 609 1 7 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.799 17.328 18206 610 1 7 . 1 1 13 13 CYS H H 13 8.172 8.172 7.826 0.346 18206 611 1 7 . 1 1 14 14 GLY N N 14 111.154 111.154 112.274 -1.120 18206 612 1 7 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.767 -0.358 18206 613 1 7 . 1 1 14 14 GLY H H 14 8.499 8.499 7.628 0.871 18206 614 1 7 . 1 1 15 15 ARG N N 15 119.836 119.836 118.895 0.941 18206 615 1 7 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.111 -0.298 18206 616 1 7 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.070 0.049 18206 617 1 7 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.276 0.082 18206 618 1 7 . 1 1 15 15 ARG H H 15 8.601 8.601 8.856 -0.255 18206 619 1 7 . 1 1 16 16 TRP N N 16 118.904 118.904 121.545 -2.641 18206 620 1 7 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.593 -0.183 18206 621 1 7 . 1 1 16 16 TRP CA C 16 62.943 62.943 60.670 2.273 18206 622 1 7 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.958 -0.228 18206 623 1 7 . 1 1 16 16 TRP H H 16 8.787 8.787 7.756 1.031 18206 624 1 7 . 1 1 17 17 CYS N N 17 118.726 118.726 119.383 -0.657 18206 625 1 7 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.371 0.062 18206 626 1 7 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.422 -1.330 18206 627 1 7 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.084 12.467 18206 628 1 7 . 1 1 17 17 CYS H H 17 9.016 9.016 8.694 0.322 18206 629 1 7 . 1 1 18 18 ARG N N 18 121.997 121.997 120.227 1.770 18206 630 1 7 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.053 -0.106 18206 631 1 7 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.100 0.892 18206 632 1 7 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.432 -0.476 18206 633 1 7 . 1 1 18 18 ARG H H 18 8.824 8.824 8.536 0.288 18206 634 1 7 . 1 1 19 19 ASP N N 19 116.281 116.281 115.726 0.555 18206 635 1 7 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.525 -0.084 18206 636 1 7 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.128 -0.821 18206 637 1 7 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.623 -0.626 18206 638 1 7 . 1 1 19 19 ASP H H 19 7.677 7.677 7.818 -0.141 18206 639 1 7 . 1 1 20 20 HIS N N 20 113.786 113.786 117.041 -3.255 18206 640 1 7 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.370 0.121 18206 641 1 7 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.998 -1.157 18206 642 1 7 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.649 -1.387 18206 643 1 7 . 1 1 20 20 HIS H H 20 7.523 7.523 8.250 -0.727 18206 644 1 7 . 1 1 21 21 SER N N 21 115.298 115.298 113.959 1.339 18206 645 1 7 . 1 1 21 21 SER HA H 21 4.868 4.868 4.377 0.491 18206 646 1 7 . 1 1 21 21 SER CA C 21 57.831 57.831 59.053 -1.222 18206 647 1 7 . 1 1 21 21 SER CB C 21 66.406 66.406 64.039 2.367 18206 648 1 7 . 1 1 21 21 SER H H 21 8.084 8.084 7.226 0.858 18206 649 1 7 . 1 1 22 22 ARG N N 22 125.670 125.670 120.031 5.639 18206 650 1 7 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.443 -0.031 18206 651 1 7 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.617 1.421 18206 652 1 7 . 1 1 22 22 ARG CB C 22 29.778 29.778 29.953 -0.175 18206 653 1 7 . 1 1 22 22 ARG H H 22 9.189 9.189 8.570 0.619 18206 654 1 7 . 1 1 23 23 CYS N N 23 116.441 116.441 117.456 -1.015 18206 655 1 7 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.800 -0.303 18206 656 1 7 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.135 -0.306 18206 657 1 7 . 1 1 23 23 CYS CB C 23 44.527 44.527 29.963 14.564 18206 658 1 7 . 1 1 23 23 CYS H H 23 8.338 8.338 7.756 0.582 18206 659 1 8 . 1 1 4 4 ARG N N 4 120.207 120.207 122.040 -1.833 18206 660 1 8 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.062 0.244 18206 661 1 8 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.443 -1.244 18206 662 1 8 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.693 0.545 18206 663 1 8 . 1 1 4 4 ARG H H 4 8.773 8.773 8.727 0.046 18206 664 1 8 . 1 1 5 5 CYS N N 5 118.725 118.725 117.963 0.762 18206 665 1 8 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.293 0.476 18206 666 1 8 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.048 -6.953 18206 667 1 8 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.052 13.309 18206 668 1 8 . 1 1 5 5 CYS H H 5 8.433 8.433 8.167 0.266 18206 669 1 8 . 1 1 6 6 CYS N N 6 115.197 115.197 117.959 -2.762 18206 670 1 8 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.275 0.289 18206 671 1 8 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.823 -4.569 18206 672 1 8 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.897 17.117 18206 673 1 8 . 1 1 6 6 CYS H H 6 8.334 8.334 8.582 -0.248 18206 674 1 8 . 1 1 7 7 LYS N N 7 120.670 120.670 120.099 0.571 18206 675 1 8 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.335 -0.010 18206 676 1 8 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.217 -1.310 18206 677 1 8 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.789 0.120 18206 678 1 8 . 1 1 7 7 LYS H H 7 7.978 7.978 8.442 -0.464 18206 679 1 8 . 1 1 8 8 ASN N N 8 117.984 117.984 116.253 1.731 18206 680 1 8 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.831 -0.028 18206 681 1 8 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.099 -0.887 18206 682 1 8 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.956 -2.128 18206 683 1 8 . 1 1 8 8 ASN H H 8 8.646 8.646 8.460 0.186 18206 684 1 8 . 1 1 9 9 GLY N N 9 108.754 108.754 110.367 -1.613 18206 685 1 8 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.035 -1.288 18206 686 1 8 . 1 1 9 9 GLY H H 9 8.335 8.335 8.598 -0.263 18206 687 1 8 . 1 1 10 10 LYS N N 10 121.997 121.997 124.197 -2.200 18206 688 1 8 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.107 0.174 18206 689 1 8 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.882 -0.195 18206 690 1 8 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.898 -1.965 18206 691 1 8 . 1 1 10 10 LYS H H 10 8.623 8.623 8.292 0.331 18206 692 1 8 . 1 1 11 11 ARG N N 11 119.929 119.929 116.005 3.924 18206 693 1 8 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.388 -0.125 18206 694 1 8 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.993 0.389 18206 695 1 8 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.565 -0.528 18206 696 1 8 . 1 1 11 11 ARG H H 11 8.339 8.339 8.041 0.298 18206 697 1 8 . 1 1 12 12 GLY N N 12 107.982 107.982 105.368 2.614 18206 698 1 8 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.859 0.443 18206 699 1 8 . 1 1 12 12 GLY H H 12 8.099 8.099 7.547 0.552 18206 700 1 8 . 1 1 13 13 CYS N N 13 118.834 118.834 124.505 -5.671 18206 701 1 8 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.770 -0.047 18206 702 1 8 . 1 1 13 13 CYS CA C 13 56.283 56.283 58.103 -1.820 18206 703 1 8 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.302 18.825 18206 704 1 8 . 1 1 13 13 CYS H H 13 8.172 8.172 7.959 0.213 18206 705 1 8 . 1 1 14 14 GLY N N 14 111.154 111.154 111.604 -0.450 18206 706 1 8 . 1 1 14 14 GLY CA C 14 44.409 44.409 43.951 0.458 18206 707 1 8 . 1 1 14 14 GLY H H 14 8.499 8.499 8.575 -0.076 18206 708 1 8 . 1 1 15 15 ARG N N 15 119.836 119.836 120.421 -0.585 18206 709 1 8 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.058 -0.245 18206 710 1 8 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.480 0.639 18206 711 1 8 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.102 0.256 18206 712 1 8 . 1 1 15 15 ARG H H 15 8.601 8.601 8.840 -0.239 18206 713 1 8 . 1 1 16 16 TRP N N 16 118.904 118.904 122.254 -3.350 18206 714 1 8 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.487 -0.077 18206 715 1 8 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.596 1.347 18206 716 1 8 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.079 -0.350 18206 717 1 8 . 1 1 16 16 TRP H H 16 8.787 8.787 8.205 0.582 18206 718 1 8 . 1 1 17 17 CYS N N 17 118.726 118.726 118.756 -0.030 18206 719 1 8 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.169 0.264 18206 720 1 8 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.413 -1.321 18206 721 1 8 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.358 12.193 18206 722 1 8 . 1 1 17 17 CYS H H 17 9.016 9.016 8.592 0.424 18206 723 1 8 . 1 1 18 18 ARG N N 18 121.997 121.997 120.335 1.662 18206 724 1 8 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.256 -0.309 18206 725 1 8 . 1 1 18 18 ARG CA C 18 59.992 59.992 58.882 1.110 18206 726 1 8 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.454 -0.498 18206 727 1 8 . 1 1 18 18 ARG H H 18 8.824 8.824 8.444 0.380 18206 728 1 8 . 1 1 19 19 ASP N N 19 116.281 116.281 115.008 1.273 18206 729 1 8 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.489 -0.048 18206 730 1 8 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.643 -1.336 18206 731 1 8 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.932 -0.935 18206 732 1 8 . 1 1 19 19 ASP H H 19 7.677 7.677 7.835 -0.158 18206 733 1 8 . 1 1 20 20 HIS N N 20 113.786 113.786 116.277 -2.491 18206 734 1 8 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.373 0.118 18206 735 1 8 . 1 1 20 20 HIS CA C 20 56.841 56.841 58.096 -1.255 18206 736 1 8 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.425 -1.163 18206 737 1 8 . 1 1 20 20 HIS H H 20 7.523 7.523 8.325 -0.802 18206 738 1 8 . 1 1 21 21 SER N N 21 115.298 115.298 115.020 0.278 18206 739 1 8 . 1 1 21 21 SER HA H 21 4.868 4.868 4.214 0.654 18206 740 1 8 . 1 1 21 21 SER CA C 21 57.831 57.831 60.080 -2.248 18206 741 1 8 . 1 1 21 21 SER CB C 21 66.406 66.406 63.469 2.937 18206 742 1 8 . 1 1 21 21 SER H H 21 8.084 8.084 7.365 0.719 18206 743 1 8 . 1 1 22 22 ARG N N 22 125.670 125.670 122.633 3.037 18206 744 1 8 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.308 0.104 18206 745 1 8 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.867 0.171 18206 746 1 8 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.379 -0.601 18206 747 1 8 . 1 1 22 22 ARG H H 22 9.189 9.189 8.651 0.538 18206 748 1 8 . 1 1 23 23 CYS N N 23 116.441 116.441 120.386 -3.945 18206 749 1 8 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.521 -0.024 18206 750 1 8 . 1 1 23 23 CYS CA C 23 56.829 56.829 58.358 -1.528 18206 751 1 8 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.028 18.499 18206 752 1 8 . 1 1 23 23 CYS H H 23 8.338 8.338 8.013 0.325 18206 753 1 9 . 1 1 4 4 ARG N N 4 120.207 120.207 121.776 -1.569 18206 754 1 9 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.132 0.174 18206 755 1 9 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.144 -0.945 18206 756 1 9 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.500 0.739 18206 757 1 9 . 1 1 4 4 ARG H H 4 8.773 8.773 8.811 -0.038 18206 758 1 9 . 1 1 5 5 CYS N N 5 118.725 118.725 119.833 -1.108 18206 759 1 9 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.611 0.158 18206 760 1 9 . 1 1 5 5 CYS CA C 5 56.095 56.095 61.465 -5.370 18206 761 1 9 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.423 12.938 18206 762 1 9 . 1 1 5 5 CYS H H 5 8.433 8.433 8.610 -0.177 18206 763 1 9 . 1 1 6 6 CYS N N 6 115.197 115.197 118.823 -3.626 18206 764 1 9 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.178 0.386 18206 765 1 9 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.790 -5.536 18206 766 1 9 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.260 16.754 18206 767 1 9 . 1 1 6 6 CYS H H 6 8.334 8.334 8.582 -0.248 18206 768 1 9 . 1 1 7 7 LYS N N 7 120.670 120.670 118.600 2.070 18206 769 1 9 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.214 0.111 18206 770 1 9 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.346 -1.439 18206 771 1 9 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.450 0.459 18206 772 1 9 . 1 1 7 7 LYS H H 7 7.978 7.978 8.161 -0.183 18206 773 1 9 . 1 1 8 8 ASN N N 8 117.984 117.984 116.303 1.681 18206 774 1 9 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.682 0.121 18206 775 1 9 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.412 -1.200 18206 776 1 9 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.130 -1.302 18206 777 1 9 . 1 1 8 8 ASN H H 8 8.646 8.646 7.779 0.868 18206 778 1 9 . 1 1 9 9 GLY N N 9 108.754 108.754 109.523 -0.769 18206 779 1 9 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.825 -1.077 18206 780 1 9 . 1 1 9 9 GLY H H 9 8.335 8.335 8.407 -0.072 18206 781 1 9 . 1 1 10 10 LYS N N 10 121.997 121.997 124.719 -2.722 18206 782 1 9 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.050 0.231 18206 783 1 9 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.417 -0.730 18206 784 1 9 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.344 -2.411 18206 785 1 9 . 1 1 10 10 LYS H H 10 8.623 8.623 8.331 0.292 18206 786 1 9 . 1 1 11 11 ARG N N 11 119.929 119.929 115.842 4.087 18206 787 1 9 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.367 -0.104 18206 788 1 9 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.882 0.500 18206 789 1 9 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.661 -0.624 18206 790 1 9 . 1 1 11 11 ARG H H 11 8.339 8.339 7.795 0.544 18206 791 1 9 . 1 1 12 12 GLY N N 12 107.982 107.982 105.468 2.514 18206 792 1 9 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.864 0.438 18206 793 1 9 . 1 1 12 12 GLY H H 12 8.099 8.099 7.619 0.480 18206 794 1 9 . 1 1 13 13 CYS N N 13 118.834 118.834 123.367 -4.533 18206 795 1 9 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.521 0.202 18206 796 1 9 . 1 1 13 13 CYS CA C 13 56.283 56.283 58.124 -1.841 18206 797 1 9 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.413 18.714 18206 798 1 9 . 1 1 13 13 CYS H H 13 8.172 8.172 8.200 -0.028 18206 799 1 9 . 1 1 14 14 GLY N N 14 111.154 111.154 109.158 1.996 18206 800 1 9 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.052 0.357 18206 801 1 9 . 1 1 14 14 GLY H H 14 8.499 8.499 8.358 0.141 18206 802 1 9 . 1 1 15 15 ARG N N 15 119.836 119.836 120.275 -0.439 18206 803 1 9 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.069 -0.256 18206 804 1 9 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.322 0.797 18206 805 1 9 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.090 0.268 18206 806 1 9 . 1 1 15 15 ARG H H 15 8.601 8.601 8.862 -0.261 18206 807 1 9 . 1 1 16 16 TRP N N 16 118.904 118.904 121.825 -2.921 18206 808 1 9 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.438 -0.028 18206 809 1 9 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.692 1.251 18206 810 1 9 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.909 -0.179 18206 811 1 9 . 1 1 16 16 TRP H H 16 8.787 8.787 8.324 0.463 18206 812 1 9 . 1 1 17 17 CYS N N 17 118.726 118.726 119.580 -0.854 18206 813 1 9 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.817 0.616 18206 814 1 9 . 1 1 17 17 CYS CA C 17 59.092 59.092 61.959 -2.866 18206 815 1 9 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.419 12.132 18206 816 1 9 . 1 1 17 17 CYS H H 17 9.016 9.016 8.155 0.861 18206 817 1 9 . 1 1 18 18 ARG N N 18 121.997 121.997 119.955 2.042 18206 818 1 9 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.921 0.026 18206 819 1 9 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.633 0.359 18206 820 1 9 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.167 -0.211 18206 821 1 9 . 1 1 18 18 ARG H H 18 8.824 8.824 8.227 0.597 18206 822 1 9 . 1 1 19 19 ASP N N 19 116.281 116.281 114.576 1.705 18206 823 1 9 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.501 -0.060 18206 824 1 9 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.826 -0.519 18206 825 1 9 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.749 -0.752 18206 826 1 9 . 1 1 19 19 ASP H H 19 7.677 7.677 7.850 -0.173 18206 827 1 9 . 1 1 20 20 HIS N N 20 113.786 113.786 115.895 -2.109 18206 828 1 9 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.570 -0.079 18206 829 1 9 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.784 0.057 18206 830 1 9 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.938 -1.676 18206 831 1 9 . 1 1 20 20 HIS H H 20 7.523 7.523 8.334 -0.811 18206 832 1 9 . 1 1 21 21 SER N N 21 115.298 115.298 113.846 1.452 18206 833 1 9 . 1 1 21 21 SER HA H 21 4.868 4.868 4.563 0.305 18206 834 1 9 . 1 1 21 21 SER CA C 21 57.831 57.831 56.405 1.426 18206 835 1 9 . 1 1 21 21 SER CB C 21 66.406 66.406 64.918 1.488 18206 836 1 9 . 1 1 21 21 SER H H 21 8.084 8.084 8.014 0.070 18206 837 1 9 . 1 1 22 22 ARG N N 22 125.670 125.670 121.282 4.388 18206 838 1 9 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.370 0.042 18206 839 1 9 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.551 0.487 18206 840 1 9 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.470 -0.692 18206 841 1 9 . 1 1 22 22 ARG H H 22 9.189 9.189 8.442 0.747 18206 842 1 9 . 1 1 23 23 CYS N N 23 116.441 116.441 117.216 -0.775 18206 843 1 9 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.839 -0.342 18206 844 1 9 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.123 -0.294 18206 845 1 9 . 1 1 23 23 CYS CB C 23 44.527 44.527 29.077 15.450 18206 846 1 9 . 1 1 23 23 CYS H H 23 8.338 8.338 7.894 0.444 18206 847 1 10 . 1 1 4 4 ARG N N 4 120.207 120.207 121.007 -0.800 18206 848 1 10 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.519 -0.213 18206 849 1 10 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.005 0.195 18206 850 1 10 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.648 0.590 18206 851 1 10 . 1 1 4 4 ARG H H 4 8.773 8.773 8.745 0.028 18206 852 1 10 . 1 1 5 5 CYS N N 5 118.725 118.725 120.236 -1.511 18206 853 1 10 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.402 0.367 18206 854 1 10 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.449 -6.354 18206 855 1 10 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.409 12.952 18206 856 1 10 . 1 1 5 5 CYS H H 5 8.433 8.433 8.402 0.031 18206 857 1 10 . 1 1 6 6 CYS N N 6 115.197 115.197 119.427 -4.230 18206 858 1 10 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.113 0.451 18206 859 1 10 . 1 1 6 6 CYS CA C 6 56.254 56.254 62.392 -6.138 18206 860 1 10 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.198 16.816 18206 861 1 10 . 1 1 6 6 CYS H H 6 8.334 8.334 8.820 -0.486 18206 862 1 10 . 1 1 7 7 LYS N N 7 120.670 120.670 117.732 2.938 18206 863 1 10 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.178 0.147 18206 864 1 10 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.471 -1.565 18206 865 1 10 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.282 0.627 18206 866 1 10 . 1 1 7 7 LYS H H 7 7.978 7.978 8.270 -0.292 18206 867 1 10 . 1 1 8 8 ASN N N 8 117.984 117.984 116.840 1.144 18206 868 1 10 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.646 0.157 18206 869 1 10 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.433 -1.221 18206 870 1 10 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.471 -0.643 18206 871 1 10 . 1 1 8 8 ASN H H 8 8.646 8.646 7.615 1.031 18206 872 1 10 . 1 1 9 9 GLY N N 9 108.754 108.754 110.209 -1.455 18206 873 1 10 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.880 -1.133 18206 874 1 10 . 1 1 9 9 GLY H H 9 8.335 8.335 8.471 -0.136 18206 875 1 10 . 1 1 10 10 LYS N N 10 121.997 121.997 124.529 -2.532 18206 876 1 10 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.160 0.121 18206 877 1 10 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.657 0.030 18206 878 1 10 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.001 -2.068 18206 879 1 10 . 1 1 10 10 LYS H H 10 8.623 8.623 8.245 0.378 18206 880 1 10 . 1 1 11 11 ARG N N 11 119.929 119.929 116.177 3.752 18206 881 1 10 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.400 -0.137 18206 882 1 10 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.936 0.446 18206 883 1 10 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.627 -0.590 18206 884 1 10 . 1 1 11 11 ARG H H 11 8.339 8.339 7.896 0.443 18206 885 1 10 . 1 1 12 12 GLY N N 12 107.982 107.982 107.916 0.066 18206 886 1 10 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.523 -0.221 18206 887 1 10 . 1 1 12 12 GLY H H 12 8.099 8.099 7.555 0.544 18206 888 1 10 . 1 1 13 13 CYS N N 13 118.834 118.834 120.427 -1.593 18206 889 1 10 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.235 0.488 18206 890 1 10 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.747 -4.464 18206 891 1 10 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.936 18.191 18206 892 1 10 . 1 1 13 13 CYS H H 13 8.172 8.172 7.595 0.577 18206 893 1 10 . 1 1 14 14 GLY N N 14 111.154 111.154 113.355 -2.201 18206 894 1 10 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.771 -0.362 18206 895 1 10 . 1 1 14 14 GLY H H 14 8.499 8.499 7.847 0.652 18206 896 1 10 . 1 1 15 15 ARG N N 15 119.836 119.836 120.885 -1.049 18206 897 1 10 . 1 1 15 15 ARG HA H 15 3.813 3.813 3.989 -0.176 18206 898 1 10 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.259 -0.140 18206 899 1 10 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.442 -0.084 18206 900 1 10 . 1 1 15 15 ARG H H 15 8.601 8.601 8.790 -0.189 18206 901 1 10 . 1 1 16 16 TRP N N 16 118.904 118.904 121.629 -2.725 18206 902 1 10 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.565 -0.155 18206 903 1 10 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.468 1.475 18206 904 1 10 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.000 -0.270 18206 905 1 10 . 1 1 16 16 TRP H H 16 8.787 8.787 8.157 0.630 18206 906 1 10 . 1 1 17 17 CYS N N 17 118.726 118.726 120.076 -1.350 18206 907 1 10 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.114 0.319 18206 908 1 10 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.965 -1.873 18206 909 1 10 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.762 12.789 18206 910 1 10 . 1 1 17 17 CYS H H 17 9.016 9.016 8.851 0.165 18206 911 1 10 . 1 1 18 18 ARG N N 18 121.997 121.997 120.015 1.982 18206 912 1 10 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.003 -0.056 18206 913 1 10 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.219 0.773 18206 914 1 10 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.070 -0.114 18206 915 1 10 . 1 1 18 18 ARG H H 18 8.824 8.824 8.674 0.150 18206 916 1 10 . 1 1 19 19 ASP N N 19 116.281 116.281 116.200 0.081 18206 917 1 10 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.530 -0.089 18206 918 1 10 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.086 -0.779 18206 919 1 10 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.038 -1.041 18206 920 1 10 . 1 1 19 19 ASP H H 19 7.677 7.677 7.671 0.006 18206 921 1 10 . 1 1 20 20 HIS N N 20 113.786 113.786 115.998 -2.212 18206 922 1 10 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.446 0.045 18206 923 1 10 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.995 -0.154 18206 924 1 10 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.818 -1.556 18206 925 1 10 . 1 1 20 20 HIS H H 20 7.523 7.523 8.253 -0.730 18206 926 1 10 . 1 1 21 21 SER N N 21 115.298 115.298 114.733 0.565 18206 927 1 10 . 1 1 21 21 SER HA H 21 4.868 4.868 4.459 0.409 18206 928 1 10 . 1 1 21 21 SER CA C 21 57.831 57.831 58.111 -0.280 18206 929 1 10 . 1 1 21 21 SER CB C 21 66.406 66.406 64.634 1.772 18206 930 1 10 . 1 1 21 21 SER H H 21 8.084 8.084 7.845 0.239 18206 931 1 10 . 1 1 22 22 ARG N N 22 125.670 125.670 121.685 3.985 18206 932 1 10 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.391 0.021 18206 933 1 10 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.727 0.311 18206 934 1 10 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.570 -0.792 18206 935 1 10 . 1 1 22 22 ARG H H 22 9.189 9.189 8.524 0.665 18206 936 1 10 . 1 1 23 23 CYS N N 23 116.441 116.441 119.377 -2.936 18206 937 1 10 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.663 -0.166 18206 938 1 10 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.009 -0.180 18206 939 1 10 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.402 17.125 18206 940 1 10 . 1 1 23 23 CYS H H 23 8.338 8.338 8.090 0.248 18206 941 1 11 . 1 1 4 4 ARG N N 4 120.207 120.207 121.741 -1.534 18206 942 1 11 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.061 0.245 18206 943 1 11 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.123 -0.923 18206 944 1 11 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.436 0.802 18206 945 1 11 . 1 1 4 4 ARG H H 4 8.773 8.773 8.875 -0.102 18206 946 1 11 . 1 1 5 5 CYS N N 5 118.725 118.725 118.357 0.368 18206 947 1 11 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.301 0.468 18206 948 1 11 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.056 -6.961 18206 949 1 11 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.027 13.334 18206 950 1 11 . 1 1 5 5 CYS H H 5 8.433 8.433 8.292 0.141 18206 951 1 11 . 1 1 6 6 CYS N N 6 115.197 115.197 119.097 -3.900 18206 952 1 11 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.172 0.392 18206 953 1 11 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.669 -5.415 18206 954 1 11 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.103 16.911 18206 955 1 11 . 1 1 6 6 CYS H H 6 8.334 8.334 8.642 -0.308 18206 956 1 11 . 1 1 7 7 LYS N N 7 120.670 120.670 117.911 2.759 18206 957 1 11 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.121 0.204 18206 958 1 11 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.559 -1.652 18206 959 1 11 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.403 0.506 18206 960 1 11 . 1 1 7 7 LYS H H 7 7.978 7.978 8.447 -0.469 18206 961 1 11 . 1 1 8 8 ASN N N 8 117.984 117.984 116.554 1.430 18206 962 1 11 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.709 0.094 18206 963 1 11 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.376 -1.164 18206 964 1 11 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.009 -1.181 18206 965 1 11 . 1 1 8 8 ASN H H 8 8.646 8.646 7.867 0.779 18206 966 1 11 . 1 1 9 9 GLY N N 9 108.754 108.754 109.754 -1.000 18206 967 1 11 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.012 -1.265 18206 968 1 11 . 1 1 9 9 GLY H H 9 8.335 8.335 8.247 0.088 18206 969 1 11 . 1 1 10 10 LYS N N 10 121.997 121.997 124.743 -2.746 18206 970 1 11 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.048 0.233 18206 971 1 11 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.512 -0.825 18206 972 1 11 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.229 -2.296 18206 973 1 11 . 1 1 10 10 LYS H H 10 8.623 8.623 8.451 0.172 18206 974 1 11 . 1 1 11 11 ARG N N 11 119.929 119.929 115.979 3.950 18206 975 1 11 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.337 -0.074 18206 976 1 11 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.943 0.439 18206 977 1 11 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.582 -0.545 18206 978 1 11 . 1 1 11 11 ARG H H 11 8.339 8.339 8.030 0.309 18206 979 1 11 . 1 1 12 12 GLY N N 12 107.982 107.982 107.802 0.180 18206 980 1 11 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.693 -0.391 18206 981 1 11 . 1 1 12 12 GLY H H 12 8.099 8.099 7.663 0.436 18206 982 1 11 . 1 1 13 13 CYS N N 13 118.834 118.834 120.047 -1.213 18206 983 1 11 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.262 0.461 18206 984 1 11 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.369 -4.086 18206 985 1 11 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.202 17.925 18206 986 1 11 . 1 1 13 13 CYS H H 13 8.172 8.172 7.692 0.480 18206 987 1 11 . 1 1 14 14 GLY N N 14 111.154 111.154 113.339 -2.185 18206 988 1 11 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.803 -0.394 18206 989 1 11 . 1 1 14 14 GLY H H 14 8.499 8.499 7.886 0.613 18206 990 1 11 . 1 1 15 15 ARG N N 15 119.836 119.836 120.904 -1.068 18206 991 1 11 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.027 -0.214 18206 992 1 11 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.478 0.641 18206 993 1 11 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.606 -0.248 18206 994 1 11 . 1 1 15 15 ARG H H 15 8.601 8.601 8.802 -0.201 18206 995 1 11 . 1 1 16 16 TRP N N 16 118.904 118.904 122.110 -3.206 18206 996 1 11 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.555 -0.145 18206 997 1 11 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.624 1.319 18206 998 1 11 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.879 -0.149 18206 999 1 11 . 1 1 16 16 TRP H H 16 8.787 8.787 8.153 0.634 18206 1000 1 11 . 1 1 17 17 CYS N N 17 118.726 118.726 119.067 -0.341 18206 1001 1 11 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.263 0.170 18206 1002 1 11 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.718 -1.625 18206 1003 1 11 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.225 12.326 18206 1004 1 11 . 1 1 17 17 CYS H H 17 9.016 9.016 8.675 0.341 18206 1005 1 11 . 1 1 18 18 ARG N N 18 121.997 121.997 119.523 2.474 18206 1006 1 11 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.010 -0.063 18206 1007 1 11 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.535 0.457 18206 1008 1 11 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.349 -0.393 18206 1009 1 11 . 1 1 18 18 ARG H H 18 8.824 8.824 8.421 0.403 18206 1010 1 11 . 1 1 19 19 ASP N N 19 116.281 116.281 117.282 -1.001 18206 1011 1 11 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.540 -0.099 18206 1012 1 11 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.897 -1.590 18206 1013 1 11 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.396 -0.399 18206 1014 1 11 . 1 1 19 19 ASP H H 19 7.677 7.677 7.976 -0.299 18206 1015 1 11 . 1 1 20 20 HIS N N 20 113.786 113.786 117.527 -3.741 18206 1016 1 11 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.409 0.082 18206 1017 1 11 . 1 1 20 20 HIS CA C 20 56.841 56.841 58.422 -1.581 18206 1018 1 11 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.334 -1.072 18206 1019 1 11 . 1 1 20 20 HIS H H 20 7.523 7.523 8.538 -1.015 18206 1020 1 11 . 1 1 21 21 SER N N 21 115.298 115.298 114.015 1.283 18206 1021 1 11 . 1 1 21 21 SER HA H 21 4.868 4.868 4.336 0.532 18206 1022 1 11 . 1 1 21 21 SER CA C 21 57.831 57.831 59.224 -1.393 18206 1023 1 11 . 1 1 21 21 SER CB C 21 66.406 66.406 64.158 2.248 18206 1024 1 11 . 1 1 21 21 SER H H 21 8.084 8.084 7.323 0.761 18206 1025 1 11 . 1 1 22 22 ARG N N 22 125.670 125.670 119.388 6.282 18206 1026 1 11 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.445 -0.033 18206 1027 1 11 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.712 1.326 18206 1028 1 11 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.297 -0.519 18206 1029 1 11 . 1 1 22 22 ARG H H 22 9.189 9.189 8.496 0.693 18206 1030 1 11 . 1 1 23 23 CYS N N 23 116.441 116.441 118.363 -1.922 18206 1031 1 11 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.699 -0.202 18206 1032 1 11 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.712 -0.882 18206 1033 1 11 . 1 1 23 23 CYS CB C 23 44.527 44.527 28.015 16.512 18206 1034 1 11 . 1 1 23 23 CYS H H 23 8.338 8.338 7.847 0.491 18206 1035 1 12 . 1 1 4 4 ARG N N 4 120.207 120.207 121.216 -1.009 18206 1036 1 12 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.492 -0.186 18206 1037 1 12 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.142 0.058 18206 1038 1 12 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.556 0.682 18206 1039 1 12 . 1 1 4 4 ARG H H 4 8.773 8.773 8.653 0.120 18206 1040 1 12 . 1 1 5 5 CYS N N 5 118.725 118.725 120.625 -1.900 18206 1041 1 12 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.309 0.460 18206 1042 1 12 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.001 -6.906 18206 1043 1 12 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.030 13.331 18206 1044 1 12 . 1 1 5 5 CYS H H 5 8.433 8.433 8.478 -0.045 18206 1045 1 12 . 1 1 6 6 CYS N N 6 115.197 115.197 119.664 -4.467 18206 1046 1 12 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.184 0.380 18206 1047 1 12 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.823 -5.569 18206 1048 1 12 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.255 16.759 18206 1049 1 12 . 1 1 6 6 CYS H H 6 8.334 8.334 8.807 -0.473 18206 1050 1 12 . 1 1 7 7 LYS N N 7 120.670 120.670 117.326 3.344 18206 1051 1 12 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.264 0.061 18206 1052 1 12 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.538 -1.631 18206 1053 1 12 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.417 0.492 18206 1054 1 12 . 1 1 7 7 LYS H H 7 7.978 7.978 8.109 -0.131 18206 1055 1 12 . 1 1 8 8 ASN N N 8 117.984 117.984 116.481 1.503 18206 1056 1 12 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.691 0.112 18206 1057 1 12 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.359 -1.147 18206 1058 1 12 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.033 -1.205 18206 1059 1 12 . 1 1 8 8 ASN H H 8 8.646 8.646 7.906 0.740 18206 1060 1 12 . 1 1 9 9 GLY N N 9 108.754 108.754 109.778 -1.024 18206 1061 1 12 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.659 -0.912 18206 1062 1 12 . 1 1 9 9 GLY H H 9 8.335 8.335 8.169 0.166 18206 1063 1 12 . 1 1 10 10 LYS N N 10 121.997 121.997 124.941 -2.944 18206 1064 1 12 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.123 0.158 18206 1065 1 12 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.213 -0.526 18206 1066 1 12 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.475 -2.542 18206 1067 1 12 . 1 1 10 10 LYS H H 10 8.623 8.623 8.375 0.248 18206 1068 1 12 . 1 1 11 11 ARG N N 11 119.929 119.929 115.778 4.151 18206 1069 1 12 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.281 -0.018 18206 1070 1 12 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.345 0.037 18206 1071 1 12 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.570 -0.533 18206 1072 1 12 . 1 1 11 11 ARG H H 11 8.339 8.339 7.767 0.572 18206 1073 1 12 . 1 1 12 12 GLY N N 12 107.982 107.982 106.301 1.681 18206 1074 1 12 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.294 0.008 18206 1075 1 12 . 1 1 12 12 GLY H H 12 8.099 8.099 7.492 0.607 18206 1076 1 12 . 1 1 13 13 CYS N N 13 118.834 118.834 122.507 -3.673 18206 1077 1 12 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.397 0.326 18206 1078 1 12 . 1 1 13 13 CYS CA C 13 56.283 56.283 59.199 -2.916 18206 1079 1 12 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.264 18.863 18206 1080 1 12 . 1 1 13 13 CYS H H 13 8.172 8.172 7.639 0.533 18206 1081 1 12 . 1 1 14 14 GLY N N 14 111.154 111.154 110.922 0.232 18206 1082 1 12 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.092 0.317 18206 1083 1 12 . 1 1 14 14 GLY H H 14 8.499 8.499 8.471 0.028 18206 1084 1 12 . 1 1 15 15 ARG N N 15 119.836 119.836 121.210 -1.374 18206 1085 1 12 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.049 -0.236 18206 1086 1 12 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.156 0.964 18206 1087 1 12 . 1 1 15 15 ARG CB C 15 30.358 30.358 29.985 0.373 18206 1088 1 12 . 1 1 15 15 ARG H H 15 8.601 8.601 8.902 -0.301 18206 1089 1 12 . 1 1 16 16 TRP N N 16 118.904 118.904 122.006 -3.102 18206 1090 1 12 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.490 -0.081 18206 1091 1 12 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.557 1.386 18206 1092 1 12 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.937 -0.207 18206 1093 1 12 . 1 1 16 16 TRP H H 16 8.787 8.787 8.309 0.478 18206 1094 1 12 . 1 1 17 17 CYS N N 17 118.726 118.726 119.942 -1.216 18206 1095 1 12 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.155 0.278 18206 1096 1 12 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.800 -1.708 18206 1097 1 12 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.943 12.608 18206 1098 1 12 . 1 1 17 17 CYS H H 17 9.016 9.016 8.089 0.927 18206 1099 1 12 . 1 1 18 18 ARG N N 18 121.997 121.997 120.255 1.742 18206 1100 1 12 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.897 0.050 18206 1101 1 12 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.502 0.490 18206 1102 1 12 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.189 -0.233 18206 1103 1 12 . 1 1 18 18 ARG H H 18 8.824 8.824 8.342 0.482 18206 1104 1 12 . 1 1 19 19 ASP N N 19 116.281 116.281 114.719 1.562 18206 1105 1 12 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.509 -0.068 18206 1106 1 12 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.783 -1.476 18206 1107 1 12 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.982 -0.985 18206 1108 1 12 . 1 1 19 19 ASP H H 19 7.677 7.677 7.561 0.116 18206 1109 1 12 . 1 1 20 20 HIS N N 20 113.786 113.786 116.376 -2.590 18206 1110 1 12 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.384 0.107 18206 1111 1 12 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.816 -0.975 18206 1112 1 12 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.281 -1.019 18206 1113 1 12 . 1 1 20 20 HIS H H 20 7.523 7.523 8.357 -0.834 18206 1114 1 12 . 1 1 21 21 SER N N 21 115.298 115.298 112.899 2.399 18206 1115 1 12 . 1 1 21 21 SER HA H 21 4.868 4.868 4.524 0.344 18206 1116 1 12 . 1 1 21 21 SER CA C 21 57.831 57.831 58.164 -0.333 18206 1117 1 12 . 1 1 21 21 SER CB C 21 66.406 66.406 64.934 1.472 18206 1118 1 12 . 1 1 21 21 SER H H 21 8.084 8.084 7.662 0.422 18206 1119 1 12 . 1 1 22 22 ARG N N 22 125.670 125.670 120.940 4.730 18206 1120 1 12 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.277 0.135 18206 1121 1 12 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.735 0.303 18206 1122 1 12 . 1 1 22 22 ARG CB C 22 29.778 29.778 29.875 -0.097 18206 1123 1 12 . 1 1 22 22 ARG H H 22 9.189 9.189 8.595 0.594 18206 1124 1 12 . 1 1 23 23 CYS N N 23 116.441 116.441 117.210 -0.769 18206 1125 1 12 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.881 -0.384 18206 1126 1 12 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.173 -0.344 18206 1127 1 12 . 1 1 23 23 CYS CB C 23 44.527 44.527 28.046 16.481 18206 1128 1 12 . 1 1 23 23 CYS H H 23 8.338 8.338 8.044 0.294 18206 1129 1 13 . 1 1 4 4 ARG N N 4 120.207 120.207 122.019 -1.812 18206 1130 1 13 . 1 1 4 4 ARG HA H 4 4.306 4.306 3.969 0.337 18206 1131 1 13 . 1 1 4 4 ARG CA C 4 57.199 57.199 59.082 -1.883 18206 1132 1 13 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.905 0.333 18206 1133 1 13 . 1 1 4 4 ARG H H 4 8.773 8.773 8.631 0.142 18206 1134 1 13 . 1 1 5 5 CYS N N 5 118.725 118.725 118.864 -0.139 18206 1135 1 13 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.321 0.448 18206 1136 1 13 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.394 -7.299 18206 1137 1 13 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.692 13.669 18206 1138 1 13 . 1 1 5 5 CYS H H 5 8.433 8.433 8.362 0.071 18206 1139 1 13 . 1 1 6 6 CYS N N 6 115.197 115.197 117.951 -2.754 18206 1140 1 13 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.308 0.257 18206 1141 1 13 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.492 -4.237 18206 1142 1 13 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.140 16.874 18206 1143 1 13 . 1 1 6 6 CYS H H 6 8.334 8.334 8.702 -0.368 18206 1144 1 13 . 1 1 7 7 LYS N N 7 120.670 120.670 119.477 1.193 18206 1145 1 13 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.251 0.074 18206 1146 1 13 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.267 -1.360 18206 1147 1 13 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.670 0.239 18206 1148 1 13 . 1 1 7 7 LYS H H 7 7.978 7.978 8.430 -0.452 18206 1149 1 13 . 1 1 8 8 ASN N N 8 117.984 117.984 116.688 1.296 18206 1150 1 13 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.799 0.004 18206 1151 1 13 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.375 -1.163 18206 1152 1 13 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.302 -1.474 18206 1153 1 13 . 1 1 8 8 ASN H H 8 8.646 8.646 8.447 0.199 18206 1154 1 13 . 1 1 9 9 GLY N N 9 108.754 108.754 109.602 -0.848 18206 1155 1 13 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.833 -1.086 18206 1156 1 13 . 1 1 9 9 GLY H H 9 8.335 8.335 7.666 0.669 18206 1157 1 13 . 1 1 10 10 LYS N N 10 121.997 121.997 124.449 -2.452 18206 1158 1 13 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.062 0.219 18206 1159 1 13 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.351 -0.664 18206 1160 1 13 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.349 -2.416 18206 1161 1 13 . 1 1 10 10 LYS H H 10 8.623 8.623 8.424 0.199 18206 1162 1 13 . 1 1 11 11 ARG N N 11 119.929 119.929 116.276 3.653 18206 1163 1 13 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.318 -0.055 18206 1164 1 13 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.416 -0.034 18206 1165 1 13 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.490 -0.453 18206 1166 1 13 . 1 1 11 11 ARG H H 11 8.339 8.339 7.985 0.354 18206 1167 1 13 . 1 1 12 12 GLY N N 12 107.982 107.982 107.872 0.110 18206 1168 1 13 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.746 -0.444 18206 1169 1 13 . 1 1 12 12 GLY H H 12 8.099 8.099 7.418 0.681 18206 1170 1 13 . 1 1 13 13 CYS N N 13 118.834 118.834 121.745 -2.911 18206 1171 1 13 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.286 0.437 18206 1172 1 13 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.314 -4.031 18206 1173 1 13 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.017 18.110 18206 1174 1 13 . 1 1 13 13 CYS H H 13 8.172 8.172 7.584 0.588 18206 1175 1 13 . 1 1 14 14 GLY N N 14 111.154 111.154 114.042 -2.888 18206 1176 1 13 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.083 -0.674 18206 1177 1 13 . 1 1 14 14 GLY H H 14 8.499 8.499 7.588 0.911 18206 1178 1 13 . 1 1 15 15 ARG N N 15 119.836 119.836 120.023 -0.187 18206 1179 1 13 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.021 -0.208 18206 1180 1 13 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.181 0.938 18206 1181 1 13 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.448 -0.090 18206 1182 1 13 . 1 1 15 15 ARG H H 15 8.601 8.601 8.805 -0.204 18206 1183 1 13 . 1 1 16 16 TRP N N 16 118.904 118.904 122.249 -3.345 18206 1184 1 13 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.564 -0.154 18206 1185 1 13 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.519 1.424 18206 1186 1 13 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.185 -0.455 18206 1187 1 13 . 1 1 16 16 TRP H H 16 8.787 8.787 8.173 0.614 18206 1188 1 13 . 1 1 17 17 CYS N N 17 118.726 118.726 119.947 -1.221 18206 1189 1 13 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.170 0.263 18206 1190 1 13 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.657 -1.565 18206 1191 1 13 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.896 12.655 18206 1192 1 13 . 1 1 17 17 CYS H H 17 9.016 9.016 8.751 0.265 18206 1193 1 13 . 1 1 18 18 ARG N N 18 121.997 121.997 120.274 1.723 18206 1194 1 13 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.143 -0.196 18206 1195 1 13 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.178 0.814 18206 1196 1 13 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.222 -0.266 18206 1197 1 13 . 1 1 18 18 ARG H H 18 8.824 8.824 8.690 0.134 18206 1198 1 13 . 1 1 19 19 ASP N N 19 116.281 116.281 114.661 1.620 18206 1199 1 13 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.502 -0.061 18206 1200 1 13 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.120 -0.813 18206 1201 1 13 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.836 -0.838 18206 1202 1 13 . 1 1 19 19 ASP H H 19 7.677 7.677 7.719 -0.042 18206 1203 1 13 . 1 1 20 20 HIS N N 20 113.786 113.786 115.985 -2.199 18206 1204 1 13 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.409 0.082 18206 1205 1 13 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.403 -0.562 18206 1206 1 13 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.185 -1.923 18206 1207 1 13 . 1 1 20 20 HIS H H 20 7.523 7.523 8.294 -0.771 18206 1208 1 13 . 1 1 21 21 SER N N 21 115.298 115.298 115.529 -0.231 18206 1209 1 13 . 1 1 21 21 SER HA H 21 4.868 4.868 4.426 0.442 18206 1210 1 13 . 1 1 21 21 SER CA C 21 57.831 57.831 58.559 -0.728 18206 1211 1 13 . 1 1 21 21 SER CB C 21 66.406 66.406 64.366 2.040 18206 1212 1 13 . 1 1 21 21 SER H H 21 8.084 8.084 7.676 0.408 18206 1213 1 13 . 1 1 22 22 ARG N N 22 125.670 125.670 121.706 3.964 18206 1214 1 13 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.287 0.125 18206 1215 1 13 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.884 0.154 18206 1216 1 13 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.367 -0.589 18206 1217 1 13 . 1 1 22 22 ARG H H 22 9.189 9.189 8.450 0.739 18206 1218 1 13 . 1 1 23 23 CYS N N 23 116.441 116.441 118.730 -2.289 18206 1219 1 13 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.625 -0.128 18206 1220 1 13 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.567 -0.738 18206 1221 1 13 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.194 17.333 18206 1222 1 13 . 1 1 23 23 CYS H H 23 8.338 8.338 8.165 0.173 18206 1223 1 14 . 1 1 4 4 ARG N N 4 120.207 120.207 121.339 -1.132 18206 1224 1 14 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.005 0.301 18206 1225 1 14 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.070 -0.871 18206 1226 1 14 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.039 1.199 18206 1227 1 14 . 1 1 4 4 ARG H H 4 8.773 8.773 8.856 -0.083 18206 1228 1 14 . 1 1 5 5 CYS N N 5 118.725 118.725 119.603 -0.878 18206 1229 1 14 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.466 0.303 18206 1230 1 14 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.331 -6.237 18206 1231 1 14 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.832 13.529 18206 1232 1 14 . 1 1 5 5 CYS H H 5 8.433 8.433 8.602 -0.169 18206 1233 1 14 . 1 1 6 6 CYS N N 6 115.197 115.197 119.596 -4.399 18206 1234 1 14 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.232 0.332 18206 1235 1 14 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.338 -5.084 18206 1236 1 14 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.254 16.760 18206 1237 1 14 . 1 1 6 6 CYS H H 6 8.334 8.334 8.648 -0.314 18206 1238 1 14 . 1 1 7 7 LYS N N 7 120.670 120.670 118.615 2.055 18206 1239 1 14 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.206 0.119 18206 1240 1 14 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.149 -1.242 18206 1241 1 14 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.472 0.437 18206 1242 1 14 . 1 1 7 7 LYS H H 7 7.978 7.978 8.362 -0.384 18206 1243 1 14 . 1 1 8 8 ASN N N 8 117.984 117.984 116.107 1.877 18206 1244 1 14 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.708 0.095 18206 1245 1 14 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.951 -0.739 18206 1246 1 14 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.115 -1.287 18206 1247 1 14 . 1 1 8 8 ASN H H 8 8.646 8.646 7.661 0.985 18206 1248 1 14 . 1 1 9 9 GLY N N 9 108.754 108.754 110.042 -1.288 18206 1249 1 14 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.925 -1.178 18206 1250 1 14 . 1 1 9 9 GLY H H 9 8.335 8.335 8.190 0.145 18206 1251 1 14 . 1 1 10 10 LYS N N 10 121.997 121.997 124.270 -2.273 18206 1252 1 14 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.086 0.195 18206 1253 1 14 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.182 -0.495 18206 1254 1 14 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.240 -2.307 18206 1255 1 14 . 1 1 10 10 LYS H H 10 8.623 8.623 8.267 0.356 18206 1256 1 14 . 1 1 11 11 ARG N N 11 119.929 119.929 115.656 4.273 18206 1257 1 14 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.352 -0.089 18206 1258 1 14 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.217 0.165 18206 1259 1 14 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.553 -0.516 18206 1260 1 14 . 1 1 11 11 ARG H H 11 8.339 8.339 8.069 0.270 18206 1261 1 14 . 1 1 12 12 GLY N N 12 107.982 107.982 106.800 1.182 18206 1262 1 14 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.088 0.214 18206 1263 1 14 . 1 1 12 12 GLY H H 12 8.099 8.099 7.456 0.643 18206 1264 1 14 . 1 1 13 13 CYS N N 13 118.834 118.834 120.061 -1.227 18206 1265 1 14 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.342 0.381 18206 1266 1 14 . 1 1 13 13 CYS CA C 13 56.283 56.283 61.146 -4.863 18206 1267 1 14 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.678 17.449 18206 1268 1 14 . 1 1 13 13 CYS H H 13 8.172 8.172 7.731 0.441 18206 1269 1 14 . 1 1 14 14 GLY N N 14 111.154 111.154 112.290 -1.136 18206 1270 1 14 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.985 -0.576 18206 1271 1 14 . 1 1 14 14 GLY H H 14 8.499 8.499 7.725 0.774 18206 1272 1 14 . 1 1 15 15 ARG N N 15 119.836 119.836 119.805 0.031 18206 1273 1 14 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.055 -0.242 18206 1274 1 14 . 1 1 15 15 ARG CA C 15 60.119 60.119 58.929 1.190 18206 1275 1 14 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.310 0.048 18206 1276 1 14 . 1 1 15 15 ARG H H 15 8.601 8.601 8.721 -0.120 18206 1277 1 14 . 1 1 16 16 TRP N N 16 118.904 118.904 121.472 -2.568 18206 1278 1 14 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.489 -0.079 18206 1279 1 14 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.372 1.571 18206 1280 1 14 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.950 -0.220 18206 1281 1 14 . 1 1 16 16 TRP H H 16 8.787 8.787 8.208 0.579 18206 1282 1 14 . 1 1 17 17 CYS N N 17 118.726 118.726 119.837 -1.111 18206 1283 1 14 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.204 0.229 18206 1284 1 14 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.941 -1.849 18206 1285 1 14 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.167 12.384 18206 1286 1 14 . 1 1 17 17 CYS H H 17 9.016 9.016 8.196 0.820 18206 1287 1 14 . 1 1 18 18 ARG N N 18 121.997 121.997 119.400 2.597 18206 1288 1 14 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.999 -0.052 18206 1289 1 14 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.495 0.497 18206 1290 1 14 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.120 -0.165 18206 1291 1 14 . 1 1 18 18 ARG H H 18 8.824 8.824 8.417 0.407 18206 1292 1 14 . 1 1 19 19 ASP N N 19 116.281 116.281 115.442 0.839 18206 1293 1 14 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.583 -0.142 18206 1294 1 14 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.198 -0.891 18206 1295 1 14 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.082 -1.085 18206 1296 1 14 . 1 1 19 19 ASP H H 19 7.677 7.677 7.752 -0.075 18206 1297 1 14 . 1 1 20 20 HIS N N 20 113.786 113.786 115.919 -2.133 18206 1298 1 14 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.498 -0.007 18206 1299 1 14 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.050 -0.209 18206 1300 1 14 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.956 -1.694 18206 1301 1 14 . 1 1 20 20 HIS H H 20 7.523 7.523 8.429 -0.906 18206 1302 1 14 . 1 1 21 21 SER N N 21 115.298 115.298 114.808 0.490 18206 1303 1 14 . 1 1 21 21 SER HA H 21 4.868 4.868 4.699 0.169 18206 1304 1 14 . 1 1 21 21 SER CA C 21 57.831 57.831 57.489 0.342 18206 1305 1 14 . 1 1 21 21 SER CB C 21 66.406 66.406 65.234 1.172 18206 1306 1 14 . 1 1 21 21 SER H H 21 8.084 8.084 7.992 0.092 18206 1307 1 14 . 1 1 22 22 ARG N N 22 125.670 125.670 120.889 4.781 18206 1308 1 14 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.496 -0.084 18206 1309 1 14 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.118 0.920 18206 1310 1 14 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.330 -0.552 18206 1311 1 14 . 1 1 22 22 ARG H H 22 9.189 9.189 8.606 0.583 18206 1312 1 14 . 1 1 23 23 CYS N N 23 116.441 116.441 119.399 -2.958 18206 1313 1 14 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.695 -0.198 18206 1314 1 14 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.014 -0.185 18206 1315 1 14 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.275 17.252 18206 1316 1 14 . 1 1 23 23 CYS H H 23 8.338 8.338 8.055 0.283 18206 1317 1 15 . 1 1 4 4 ARG N N 4 120.207 120.207 121.439 -1.232 18206 1318 1 15 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.122 0.184 18206 1319 1 15 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.025 -0.826 18206 1320 1 15 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.477 0.761 18206 1321 1 15 . 1 1 4 4 ARG H H 4 8.773 8.773 8.682 0.091 18206 1322 1 15 . 1 1 5 5 CYS N N 5 118.725 118.725 120.169 -1.444 18206 1323 1 15 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.144 0.625 18206 1324 1 15 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.085 -6.990 18206 1325 1 15 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.905 13.456 18206 1326 1 15 . 1 1 5 5 CYS H H 5 8.433 8.433 8.511 -0.078 18206 1327 1 15 . 1 1 6 6 CYS N N 6 115.197 115.197 119.981 -4.784 18206 1328 1 15 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.206 0.358 18206 1329 1 15 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.885 -5.631 18206 1330 1 15 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.730 17.284 18206 1331 1 15 . 1 1 6 6 CYS H H 6 8.334 8.334 8.787 -0.453 18206 1332 1 15 . 1 1 7 7 LYS N N 7 120.670 120.670 118.907 1.763 18206 1333 1 15 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.164 0.161 18206 1334 1 15 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.725 -1.818 18206 1335 1 15 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.633 0.276 18206 1336 1 15 . 1 1 7 7 LYS H H 7 7.978 7.978 7.587 0.391 18206 1337 1 15 . 1 1 8 8 ASN N N 8 117.984 117.984 116.212 1.772 18206 1338 1 15 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.589 0.214 18206 1339 1 15 . 1 1 8 8 ASN CA C 8 53.212 53.212 55.111 -1.899 18206 1340 1 15 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.661 -0.833 18206 1341 1 15 . 1 1 8 8 ASN H H 8 8.646 8.646 8.403 0.243 18206 1342 1 15 . 1 1 9 9 GLY N N 9 108.754 108.754 109.480 -0.726 18206 1343 1 15 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.734 -0.987 18206 1344 1 15 . 1 1 9 9 GLY H H 9 8.335 8.335 8.535 -0.200 18206 1345 1 15 . 1 1 10 10 LYS N N 10 121.997 121.997 125.249 -3.252 18206 1346 1 15 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.096 0.185 18206 1347 1 15 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.468 -0.781 18206 1348 1 15 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.524 -2.591 18206 1349 1 15 . 1 1 10 10 LYS H H 10 8.623 8.623 8.328 0.295 18206 1350 1 15 . 1 1 11 11 ARG N N 11 119.929 119.929 116.070 3.859 18206 1351 1 15 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.299 -0.036 18206 1352 1 15 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.635 -0.253 18206 1353 1 15 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.642 -0.605 18206 1354 1 15 . 1 1 11 11 ARG H H 11 8.339 8.339 7.744 0.595 18206 1355 1 15 . 1 1 12 12 GLY N N 12 107.982 107.982 107.641 0.341 18206 1356 1 15 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.418 -0.116 18206 1357 1 15 . 1 1 12 12 GLY H H 12 8.099 8.099 7.276 0.823 18206 1358 1 15 . 1 1 13 13 CYS N N 13 118.834 118.834 121.987 -3.153 18206 1359 1 15 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.168 0.555 18206 1360 1 15 . 1 1 13 13 CYS CA C 13 56.283 56.283 61.168 -4.885 18206 1361 1 15 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.706 18.421 18206 1362 1 15 . 1 1 13 13 CYS H H 13 8.172 8.172 8.000 0.172 18206 1363 1 15 . 1 1 14 14 GLY N N 14 111.154 111.154 112.744 -1.590 18206 1364 1 15 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.237 -0.828 18206 1365 1 15 . 1 1 14 14 GLY H H 14 8.499 8.499 7.583 0.916 18206 1366 1 15 . 1 1 15 15 ARG N N 15 119.836 119.836 119.275 0.561 18206 1367 1 15 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.064 -0.251 18206 1368 1 15 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.091 1.028 18206 1369 1 15 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.157 0.201 18206 1370 1 15 . 1 1 15 15 ARG H H 15 8.601 8.601 8.755 -0.154 18206 1371 1 15 . 1 1 16 16 TRP N N 16 118.904 118.904 121.533 -2.629 18206 1372 1 15 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.595 -0.185 18206 1373 1 15 . 1 1 16 16 TRP CA C 16 62.943 62.943 60.743 2.200 18206 1374 1 15 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.917 -0.187 18206 1375 1 15 . 1 1 16 16 TRP H H 16 8.787 8.787 7.670 1.117 18206 1376 1 15 . 1 1 17 17 CYS N N 17 118.726 118.726 120.210 -1.484 18206 1377 1 15 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.175 0.258 18206 1378 1 15 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.943 -1.851 18206 1379 1 15 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.786 12.765 18206 1380 1 15 . 1 1 17 17 CYS H H 17 9.016 9.016 8.767 0.249 18206 1381 1 15 . 1 1 18 18 ARG N N 18 121.997 121.997 119.504 2.493 18206 1382 1 15 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.985 -0.038 18206 1383 1 15 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.438 0.554 18206 1384 1 15 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.142 -0.186 18206 1385 1 15 . 1 1 18 18 ARG H H 18 8.824 8.824 8.622 0.202 18206 1386 1 15 . 1 1 19 19 ASP N N 19 116.281 116.281 114.652 1.629 18206 1387 1 15 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.528 -0.087 18206 1388 1 15 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.938 -0.631 18206 1389 1 15 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.896 -0.899 18206 1390 1 15 . 1 1 19 19 ASP H H 19 7.677 7.677 7.624 0.053 18206 1391 1 15 . 1 1 20 20 HIS N N 20 113.786 113.786 115.738 -1.952 18206 1392 1 15 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.450 0.041 18206 1393 1 15 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.745 -0.904 18206 1394 1 15 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.548 -2.286 18206 1395 1 15 . 1 1 20 20 HIS H H 20 7.523 7.523 8.341 -0.818 18206 1396 1 15 . 1 1 21 21 SER N N 21 115.298 115.298 114.752 0.546 18206 1397 1 15 . 1 1 21 21 SER HA H 21 4.868 4.868 4.504 0.364 18206 1398 1 15 . 1 1 21 21 SER CA C 21 57.831 57.831 57.952 -0.121 18206 1399 1 15 . 1 1 21 21 SER CB C 21 66.406 66.406 64.857 1.549 18206 1400 1 15 . 1 1 21 21 SER H H 21 8.084 8.084 7.811 0.273 18206 1401 1 15 . 1 1 22 22 ARG N N 22 125.670 125.670 120.737 4.933 18206 1402 1 15 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.488 -0.076 18206 1403 1 15 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.446 0.592 18206 1404 1 15 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.065 -0.287 18206 1405 1 15 . 1 1 22 22 ARG H H 22 9.189 9.189 8.558 0.631 18206 1406 1 15 . 1 1 23 23 CYS N N 23 116.441 116.441 120.186 -3.745 18206 1407 1 15 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.736 -0.239 18206 1408 1 15 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.357 -0.528 18206 1409 1 15 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.845 17.682 18206 1410 1 15 . 1 1 23 23 CYS H H 23 8.338 8.338 7.819 0.519 18206 1411 1 16 . 1 1 4 4 ARG N N 4 120.207 120.207 121.791 -1.584 18206 1412 1 16 . 1 1 4 4 ARG HA H 4 4.306 4.306 3.975 0.331 18206 1413 1 16 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.945 -1.746 18206 1414 1 16 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.705 0.533 18206 1415 1 16 . 1 1 4 4 ARG H H 4 8.773 8.773 8.776 -0.003 18206 1416 1 16 . 1 1 5 5 CYS N N 5 118.725 118.725 118.086 0.639 18206 1417 1 16 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.301 0.468 18206 1418 1 16 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.210 -7.115 18206 1419 1 16 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.199 13.162 18206 1420 1 16 . 1 1 5 5 CYS H H 5 8.433 8.433 8.548 -0.115 18206 1421 1 16 . 1 1 6 6 CYS N N 6 115.197 115.197 119.712 -4.515 18206 1422 1 16 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.283 0.281 18206 1423 1 16 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.834 -5.580 18206 1424 1 16 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.669 17.345 18206 1425 1 16 . 1 1 6 6 CYS H H 6 8.334 8.334 8.684 -0.350 18206 1426 1 16 . 1 1 7 7 LYS N N 7 120.670 120.670 120.100 0.570 18206 1427 1 16 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.162 0.163 18206 1428 1 16 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.747 -1.840 18206 1429 1 16 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.590 0.319 18206 1430 1 16 . 1 1 7 7 LYS H H 7 7.978 7.978 8.531 -0.553 18206 1431 1 16 . 1 1 8 8 ASN N N 8 117.984 117.984 115.876 2.108 18206 1432 1 16 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.837 -0.034 18206 1433 1 16 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.280 -1.068 18206 1434 1 16 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.015 -1.187 18206 1435 1 16 . 1 1 8 8 ASN H H 8 8.646 8.646 8.164 0.482 18206 1436 1 16 . 1 1 9 9 GLY N N 9 108.754 108.754 109.702 -0.948 18206 1437 1 16 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.794 -1.046 18206 1438 1 16 . 1 1 9 9 GLY H H 9 8.335 8.335 7.462 0.873 18206 1439 1 16 . 1 1 10 10 LYS N N 10 121.997 121.997 124.733 -2.736 18206 1440 1 16 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.208 0.073 18206 1441 1 16 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.918 -0.231 18206 1442 1 16 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.408 -2.475 18206 1443 1 16 . 1 1 10 10 LYS H H 10 8.623 8.623 8.348 0.275 18206 1444 1 16 . 1 1 11 11 ARG N N 11 119.929 119.929 116.832 3.097 18206 1445 1 16 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.371 -0.108 18206 1446 1 16 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.001 0.381 18206 1447 1 16 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.376 -0.339 18206 1448 1 16 . 1 1 11 11 ARG H H 11 8.339 8.339 7.832 0.507 18206 1449 1 16 . 1 1 12 12 GLY N N 12 107.982 107.982 108.260 -0.278 18206 1450 1 16 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.751 -0.449 18206 1451 1 16 . 1 1 12 12 GLY H H 12 8.099 8.099 7.456 0.643 18206 1452 1 16 . 1 1 13 13 CYS N N 13 118.834 118.834 121.399 -2.565 18206 1453 1 16 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.220 0.503 18206 1454 1 16 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.746 -4.463 18206 1455 1 16 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.922 18.205 18206 1456 1 16 . 1 1 13 13 CYS H H 13 8.172 8.172 8.080 0.092 18206 1457 1 16 . 1 1 14 14 GLY N N 14 111.154 111.154 113.779 -2.625 18206 1458 1 16 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.959 -0.550 18206 1459 1 16 . 1 1 14 14 GLY H H 14 8.499 8.499 7.539 0.960 18206 1460 1 16 . 1 1 15 15 ARG N N 15 119.836 119.836 120.688 -0.852 18206 1461 1 16 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.009 -0.196 18206 1462 1 16 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.966 0.153 18206 1463 1 16 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.585 -0.227 18206 1464 1 16 . 1 1 15 15 ARG H H 15 8.601 8.601 8.724 -0.123 18206 1465 1 16 . 1 1 16 16 TRP N N 16 118.904 118.904 121.560 -2.656 18206 1466 1 16 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.370 0.040 18206 1467 1 16 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.739 1.204 18206 1468 1 16 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.970 -0.240 18206 1469 1 16 . 1 1 16 16 TRP H H 16 8.787 8.787 8.151 0.636 18206 1470 1 16 . 1 1 17 17 CYS N N 17 118.726 118.726 119.369 -0.643 18206 1471 1 16 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.218 0.215 18206 1472 1 16 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.601 -1.509 18206 1473 1 16 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.927 12.624 18206 1474 1 16 . 1 1 17 17 CYS H H 17 9.016 9.016 8.787 0.229 18206 1475 1 16 . 1 1 18 18 ARG N N 18 121.997 121.997 119.949 2.048 18206 1476 1 16 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.972 -0.025 18206 1477 1 16 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.592 0.400 18206 1478 1 16 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.083 -0.127 18206 1479 1 16 . 1 1 18 18 ARG H H 18 8.824 8.824 8.643 0.181 18206 1480 1 16 . 1 1 19 19 ASP N N 19 116.281 116.281 114.651 1.630 18206 1481 1 16 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.554 -0.113 18206 1482 1 16 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.946 -0.639 18206 1483 1 16 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.009 -1.012 18206 1484 1 16 . 1 1 19 19 ASP H H 19 7.677 7.677 7.879 -0.202 18206 1485 1 16 . 1 1 20 20 HIS N N 20 113.786 113.786 116.428 -2.642 18206 1486 1 16 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.457 0.034 18206 1487 1 16 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.303 -0.462 18206 1488 1 16 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.000 -1.738 18206 1489 1 16 . 1 1 20 20 HIS H H 20 7.523 7.523 8.465 -0.942 18206 1490 1 16 . 1 1 21 21 SER N N 21 115.298 115.298 114.727 0.571 18206 1491 1 16 . 1 1 21 21 SER HA H 21 4.868 4.868 4.455 0.413 18206 1492 1 16 . 1 1 21 21 SER CA C 21 57.831 57.831 58.318 -0.487 18206 1493 1 16 . 1 1 21 21 SER CB C 21 66.406 66.406 64.609 1.797 18206 1494 1 16 . 1 1 21 21 SER H H 21 8.084 8.084 7.643 0.441 18206 1495 1 16 . 1 1 22 22 ARG N N 22 125.670 125.670 120.452 5.218 18206 1496 1 16 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.390 0.022 18206 1497 1 16 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.404 0.633 18206 1498 1 16 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.303 -0.525 18206 1499 1 16 . 1 1 22 22 ARG H H 22 9.189 9.189 8.475 0.714 18206 1500 1 16 . 1 1 23 23 CYS N N 23 116.441 116.441 119.992 -3.551 18206 1501 1 16 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.456 0.041 18206 1502 1 16 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.609 -2.780 18206 1503 1 16 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.336 17.191 18206 1504 1 16 . 1 1 23 23 CYS H H 23 8.338 8.338 7.808 0.530 18206 1505 1 17 . 1 1 4 4 ARG N N 4 120.207 120.207 122.033 -1.826 18206 1506 1 17 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.095 0.211 18206 1507 1 17 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.601 -1.402 18206 1508 1 17 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.575 0.663 18206 1509 1 17 . 1 1 4 4 ARG H H 4 8.773 8.773 8.957 -0.184 18206 1510 1 17 . 1 1 5 5 CYS N N 5 118.725 118.725 118.440 0.285 18206 1511 1 17 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.388 0.381 18206 1512 1 17 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.570 -6.475 18206 1513 1 17 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.108 13.253 18206 1514 1 17 . 1 1 5 5 CYS H H 5 8.433 8.433 8.926 -0.493 18206 1515 1 17 . 1 1 6 6 CYS N N 6 115.197 115.197 119.794 -4.597 18206 1516 1 17 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.249 0.315 18206 1517 1 17 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.920 -5.666 18206 1518 1 17 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.169 16.845 18206 1519 1 17 . 1 1 6 6 CYS H H 6 8.334 8.334 8.630 -0.296 18206 1520 1 17 . 1 1 7 7 LYS N N 7 120.670 120.670 120.977 -0.307 18206 1521 1 17 . 1 1 7 7 LYS HA H 7 4.325 4.325 3.999 0.326 18206 1522 1 17 . 1 1 7 7 LYS CA C 7 56.907 56.907 59.219 -2.312 18206 1523 1 17 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.139 0.770 18206 1524 1 17 . 1 1 7 7 LYS H H 7 7.978 7.978 8.769 -0.791 18206 1525 1 17 . 1 1 8 8 ASN N N 8 117.984 117.984 115.338 2.646 18206 1526 1 17 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.763 0.040 18206 1527 1 17 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.285 -1.073 18206 1528 1 17 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.114 -1.286 18206 1529 1 17 . 1 1 8 8 ASN H H 8 8.646 8.646 8.038 0.608 18206 1530 1 17 . 1 1 9 9 GLY N N 9 108.754 108.754 108.947 -0.193 18206 1531 1 17 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.989 -1.242 18206 1532 1 17 . 1 1 9 9 GLY H H 9 8.335 8.335 7.809 0.526 18206 1533 1 17 . 1 1 10 10 LYS N N 10 121.997 121.997 125.521 -3.524 18206 1534 1 17 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.109 0.172 18206 1535 1 17 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.947 -0.260 18206 1536 1 17 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.999 -2.066 18206 1537 1 17 . 1 1 10 10 LYS H H 10 8.623 8.623 8.455 0.168 18206 1538 1 17 . 1 1 11 11 ARG N N 11 119.929 119.929 117.690 2.239 18206 1539 1 17 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.280 -0.017 18206 1540 1 17 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.599 -0.217 18206 1541 1 17 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.284 -0.247 18206 1542 1 17 . 1 1 11 11 ARG H H 11 8.339 8.339 7.885 0.454 18206 1543 1 17 . 1 1 12 12 GLY N N 12 107.982 107.982 106.564 1.418 18206 1544 1 17 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.262 0.040 18206 1545 1 17 . 1 1 12 12 GLY H H 12 8.099 8.099 7.515 0.584 18206 1546 1 17 . 1 1 13 13 CYS N N 13 118.834 118.834 121.353 -2.519 18206 1547 1 17 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.231 0.492 18206 1548 1 17 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.490 -4.207 18206 1549 1 17 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.847 18.280 18206 1550 1 17 . 1 1 13 13 CYS H H 13 8.172 8.172 7.691 0.481 18206 1551 1 17 . 1 1 14 14 GLY N N 14 111.154 111.154 112.795 -1.641 18206 1552 1 17 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.136 -0.727 18206 1553 1 17 . 1 1 14 14 GLY H H 14 8.499 8.499 7.572 0.927 18206 1554 1 17 . 1 1 15 15 ARG N N 15 119.836 119.836 120.649 -0.813 18206 1555 1 17 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.029 -0.216 18206 1556 1 17 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.069 1.050 18206 1557 1 17 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.436 -0.078 18206 1558 1 17 . 1 1 15 15 ARG H H 15 8.601 8.601 8.796 -0.195 18206 1559 1 17 . 1 1 16 16 TRP N N 16 118.904 118.904 121.881 -2.977 18206 1560 1 17 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.434 -0.024 18206 1561 1 17 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.745 1.198 18206 1562 1 17 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.204 -0.474 18206 1563 1 17 . 1 1 16 16 TRP H H 16 8.787 8.787 8.051 0.736 18206 1564 1 17 . 1 1 17 17 CYS N N 17 118.726 118.726 120.087 -1.361 18206 1565 1 17 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.762 0.671 18206 1566 1 17 . 1 1 17 17 CYS CA C 17 59.092 59.092 62.284 -3.192 18206 1567 1 17 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.978 12.573 18206 1568 1 17 . 1 1 17 17 CYS H H 17 9.016 9.016 8.813 0.203 18206 1569 1 17 . 1 1 18 18 ARG N N 18 121.997 121.997 119.607 2.390 18206 1570 1 17 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.942 0.005 18206 1571 1 17 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.956 0.036 18206 1572 1 17 . 1 1 18 18 ARG CB C 18 29.956 29.956 29.982 -0.026 18206 1573 1 17 . 1 1 18 18 ARG H H 18 8.824 8.824 8.601 0.223 18206 1574 1 17 . 1 1 19 19 ASP N N 19 116.281 116.281 115.118 1.163 18206 1575 1 17 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.515 -0.074 18206 1576 1 17 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.932 -0.625 18206 1577 1 17 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.694 -0.697 18206 1578 1 17 . 1 1 19 19 ASP H H 19 7.677 7.677 7.582 0.095 18206 1579 1 17 . 1 1 20 20 HIS N N 20 113.786 113.786 115.779 -1.993 18206 1580 1 17 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.595 -0.104 18206 1581 1 17 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.678 0.163 18206 1582 1 17 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.267 -2.005 18206 1583 1 17 . 1 1 20 20 HIS H H 20 7.523 7.523 8.323 -0.800 18206 1584 1 17 . 1 1 21 21 SER N N 21 115.298 115.298 113.810 1.488 18206 1585 1 17 . 1 1 21 21 SER HA H 21 4.868 4.868 4.577 0.291 18206 1586 1 17 . 1 1 21 21 SER CA C 21 57.831 57.831 56.556 1.275 18206 1587 1 17 . 1 1 21 21 SER CB C 21 66.406 66.406 65.096 1.310 18206 1588 1 17 . 1 1 21 21 SER H H 21 8.084 8.084 8.294 -0.210 18206 1589 1 17 . 1 1 22 22 ARG N N 22 125.670 125.670 122.178 3.492 18206 1590 1 17 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.303 0.109 18206 1591 1 17 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.382 0.656 18206 1592 1 17 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.192 -0.414 18206 1593 1 17 . 1 1 22 22 ARG H H 22 9.189 9.189 8.561 0.628 18206 1594 1 17 . 1 1 23 23 CYS N N 23 116.441 116.441 119.264 -2.823 18206 1595 1 17 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.404 0.093 18206 1596 1 17 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.126 -2.297 18206 1597 1 17 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.539 16.988 18206 1598 1 17 . 1 1 23 23 CYS H H 23 8.338 8.338 8.022 0.316 18206 1599 1 18 . 1 1 4 4 ARG N N 4 120.207 120.207 121.700 -1.493 18206 1600 1 18 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.072 0.234 18206 1601 1 18 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.108 -0.908 18206 1602 1 18 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.565 0.673 18206 1603 1 18 . 1 1 4 4 ARG H H 4 8.773 8.773 8.866 -0.093 18206 1604 1 18 . 1 1 5 5 CYS N N 5 118.725 118.725 118.378 0.347 18206 1605 1 18 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.217 0.552 18206 1606 1 18 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.113 -7.018 18206 1607 1 18 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.894 13.467 18206 1608 1 18 . 1 1 5 5 CYS H H 5 8.433 8.433 8.246 0.187 18206 1609 1 18 . 1 1 6 6 CYS N N 6 115.197 115.197 120.560 -5.363 18206 1610 1 18 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.205 0.359 18206 1611 1 18 . 1 1 6 6 CYS CA C 6 56.254 56.254 62.149 -5.895 18206 1612 1 18 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.816 17.198 18206 1613 1 18 . 1 1 6 6 CYS H H 6 8.334 8.334 8.730 -0.396 18206 1614 1 18 . 1 1 7 7 LYS N N 7 120.670 120.670 120.223 0.447 18206 1615 1 18 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.023 0.302 18206 1616 1 18 . 1 1 7 7 LYS CA C 7 56.907 56.907 59.130 -2.223 18206 1617 1 18 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.480 0.429 18206 1618 1 18 . 1 1 7 7 LYS H H 7 7.978 7.978 8.637 -0.659 18206 1619 1 18 . 1 1 8 8 ASN N N 8 117.984 117.984 115.535 2.449 18206 1620 1 18 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.924 -0.121 18206 1621 1 18 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.208 0.004 18206 1622 1 18 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.307 -1.479 18206 1623 1 18 . 1 1 8 8 ASN H H 8 8.646 8.646 8.042 0.604 18206 1624 1 18 . 1 1 9 9 GLY N N 9 108.754 108.754 110.413 -1.659 18206 1625 1 18 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.032 -1.285 18206 1626 1 18 . 1 1 9 9 GLY H H 9 8.335 8.335 8.046 0.289 18206 1627 1 18 . 1 1 10 10 LYS N N 10 121.997 121.997 123.541 -1.544 18206 1628 1 18 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.140 0.141 18206 1629 1 18 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.414 0.273 18206 1630 1 18 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.971 -2.038 18206 1631 1 18 . 1 1 10 10 LYS H H 10 8.623 8.623 8.391 0.232 18206 1632 1 18 . 1 1 11 11 ARG N N 11 119.929 119.929 116.451 3.478 18206 1633 1 18 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.287 -0.024 18206 1634 1 18 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.611 -0.229 18206 1635 1 18 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.307 -0.270 18206 1636 1 18 . 1 1 11 11 ARG H H 11 8.339 8.339 8.305 0.034 18206 1637 1 18 . 1 1 12 12 GLY N N 12 107.982 107.982 106.581 1.401 18206 1638 1 18 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.164 0.138 18206 1639 1 18 . 1 1 12 12 GLY H H 12 8.099 8.099 7.326 0.773 18206 1640 1 18 . 1 1 13 13 CYS N N 13 118.834 118.834 119.710 -0.876 18206 1641 1 18 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.226 0.497 18206 1642 1 18 . 1 1 13 13 CYS CA C 13 56.283 56.283 61.047 -4.764 18206 1643 1 18 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.605 17.522 18206 1644 1 18 . 1 1 13 13 CYS H H 13 8.172 8.172 7.518 0.654 18206 1645 1 18 . 1 1 14 14 GLY N N 14 111.154 111.154 112.478 -1.324 18206 1646 1 18 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.834 -0.425 18206 1647 1 18 . 1 1 14 14 GLY H H 14 8.499 8.499 7.739 0.760 18206 1648 1 18 . 1 1 15 15 ARG N N 15 119.836 119.836 120.829 -0.993 18206 1649 1 18 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.091 -0.278 18206 1650 1 18 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.313 0.806 18206 1651 1 18 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.410 -0.052 18206 1652 1 18 . 1 1 15 15 ARG H H 15 8.601 8.601 8.807 -0.206 18206 1653 1 18 . 1 1 16 16 TRP N N 16 118.904 118.904 121.175 -2.271 18206 1654 1 18 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.569 -0.159 18206 1655 1 18 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.398 1.545 18206 1656 1 18 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.183 -0.454 18206 1657 1 18 . 1 1 16 16 TRP H H 16 8.787 8.787 8.219 0.568 18206 1658 1 18 . 1 1 17 17 CYS N N 17 118.726 118.726 119.976 -1.250 18206 1659 1 18 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.194 0.239 18206 1660 1 18 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.704 -1.612 18206 1661 1 18 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.859 12.692 18206 1662 1 18 . 1 1 17 17 CYS H H 17 9.016 9.016 8.810 0.206 18206 1663 1 18 . 1 1 18 18 ARG N N 18 121.997 121.997 119.743 2.254 18206 1664 1 18 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.988 -0.041 18206 1665 1 18 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.488 0.504 18206 1666 1 18 . 1 1 18 18 ARG CB C 18 29.956 29.956 29.957 -0.001 18206 1667 1 18 . 1 1 18 18 ARG H H 18 8.824 8.824 8.643 0.181 18206 1668 1 18 . 1 1 19 19 ASP N N 19 116.281 116.281 115.544 0.737 18206 1669 1 18 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.536 -0.095 18206 1670 1 18 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.800 -0.493 18206 1671 1 18 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.102 -1.105 18206 1672 1 18 . 1 1 19 19 ASP H H 19 7.677 7.677 7.999 -0.322 18206 1673 1 18 . 1 1 20 20 HIS N N 20 113.786 113.786 116.376 -2.590 18206 1674 1 18 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.362 0.129 18206 1675 1 18 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.143 -0.302 18206 1676 1 18 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.051 -1.789 18206 1677 1 18 . 1 1 20 20 HIS H H 20 7.523 7.523 8.492 -0.969 18206 1678 1 18 . 1 1 21 21 SER N N 21 115.298 115.298 113.986 1.312 18206 1679 1 18 . 1 1 21 21 SER HA H 21 4.868 4.868 4.481 0.387 18206 1680 1 18 . 1 1 21 21 SER CA C 21 57.831 57.831 58.405 -0.574 18206 1681 1 18 . 1 1 21 21 SER CB C 21 66.406 66.406 64.590 1.816 18206 1682 1 18 . 1 1 21 21 SER H H 21 8.084 8.084 7.584 0.500 18206 1683 1 18 . 1 1 22 22 ARG N N 22 125.670 125.670 119.418 6.252 18206 1684 1 18 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.494 -0.082 18206 1685 1 18 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.952 1.086 18206 1686 1 18 . 1 1 22 22 ARG CB C 22 29.778 29.778 29.927 -0.149 18206 1687 1 18 . 1 1 22 22 ARG H H 22 9.189 9.189 8.425 0.764 18206 1688 1 18 . 1 1 23 23 CYS N N 23 116.441 116.441 119.705 -3.264 18206 1689 1 18 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.488 0.009 18206 1690 1 18 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.407 -2.578 18206 1691 1 18 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.470 17.057 18206 1692 1 18 . 1 1 23 23 CYS H H 23 8.338 8.338 7.861 0.477 18206 1693 1 19 . 1 1 4 4 ARG N N 4 120.207 120.207 121.780 -1.573 18206 1694 1 19 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.026 0.280 18206 1695 1 19 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.801 -1.602 18206 1696 1 19 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.812 0.426 18206 1697 1 19 . 1 1 4 4 ARG H H 4 8.773 8.773 8.748 0.025 18206 1698 1 19 . 1 1 5 5 CYS N N 5 118.725 118.725 120.011 -1.286 18206 1699 1 19 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.313 0.456 18206 1700 1 19 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.532 -7.437 18206 1701 1 19 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.681 13.680 18206 1702 1 19 . 1 1 5 5 CYS H H 5 8.433 8.433 8.081 0.352 18206 1703 1 19 . 1 1 6 6 CYS N N 6 115.197 115.197 118.132 -2.935 18206 1704 1 19 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.198 0.366 18206 1705 1 19 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.156 -4.902 18206 1706 1 19 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.732 17.282 18206 1707 1 19 . 1 1 6 6 CYS H H 6 8.334 8.334 8.717 -0.383 18206 1708 1 19 . 1 1 7 7 LYS N N 7 120.670 120.670 119.372 1.298 18206 1709 1 19 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.279 0.046 18206 1710 1 19 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.612 -1.705 18206 1711 1 19 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.869 0.040 18206 1712 1 19 . 1 1 7 7 LYS H H 7 7.978 7.978 8.491 -0.513 18206 1713 1 19 . 1 1 8 8 ASN N N 8 117.984 117.984 115.703 2.281 18206 1714 1 19 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.799 0.004 18206 1715 1 19 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.932 -0.720 18206 1716 1 19 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.571 -1.743 18206 1717 1 19 . 1 1 8 8 ASN H H 8 8.646 8.646 8.287 0.359 18206 1718 1 19 . 1 1 9 9 GLY N N 9 108.754 108.754 110.401 -1.647 18206 1719 1 19 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.025 -1.278 18206 1720 1 19 . 1 1 9 9 GLY H H 9 8.335 8.335 8.670 -0.335 18206 1721 1 19 . 1 1 10 10 LYS N N 10 121.997 121.997 124.438 -2.441 18206 1722 1 19 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.103 0.178 18206 1723 1 19 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.075 -0.388 18206 1724 1 19 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.112 -2.179 18206 1725 1 19 . 1 1 10 10 LYS H H 10 8.623 8.623 8.295 0.328 18206 1726 1 19 . 1 1 11 11 ARG N N 11 119.929 119.929 115.500 4.429 18206 1727 1 19 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.357 -0.094 18206 1728 1 19 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.035 0.346 18206 1729 1 19 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.619 -0.582 18206 1730 1 19 . 1 1 11 11 ARG H H 11 8.339 8.339 8.104 0.235 18206 1731 1 19 . 1 1 12 12 GLY N N 12 107.982 107.982 106.119 1.863 18206 1732 1 19 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.843 0.459 18206 1733 1 19 . 1 1 12 12 GLY H H 12 8.099 8.099 7.389 0.710 18206 1734 1 19 . 1 1 13 13 CYS N N 13 118.834 118.834 122.413 -3.579 18206 1735 1 19 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.451 0.272 18206 1736 1 19 . 1 1 13 13 CYS CA C 13 56.283 56.283 59.913 -3.630 18206 1737 1 19 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.471 17.656 18206 1738 1 19 . 1 1 13 13 CYS H H 13 8.172 8.172 7.978 0.194 18206 1739 1 19 . 1 1 14 14 GLY N N 14 111.154 111.154 115.000 -3.846 18206 1740 1 19 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.056 -0.647 18206 1741 1 19 . 1 1 14 14 GLY H H 14 8.499 8.499 8.044 0.455 18206 1742 1 19 . 1 1 15 15 ARG N N 15 119.836 119.836 120.108 -0.272 18206 1743 1 19 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.076 -0.263 18206 1744 1 19 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.336 0.783 18206 1745 1 19 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.322 0.036 18206 1746 1 19 . 1 1 15 15 ARG H H 15 8.601 8.601 8.739 -0.138 18206 1747 1 19 . 1 1 16 16 TRP N N 16 118.904 118.904 122.255 -3.351 18206 1748 1 19 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.421 -0.011 18206 1749 1 19 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.627 1.316 18206 1750 1 19 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.171 -0.441 18206 1751 1 19 . 1 1 16 16 TRP H H 16 8.787 8.787 8.182 0.605 18206 1752 1 19 . 1 1 17 17 CYS N N 17 118.726 118.726 118.742 -0.016 18206 1753 1 19 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.288 0.145 18206 1754 1 19 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.553 -1.462 18206 1755 1 19 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.182 12.369 18206 1756 1 19 . 1 1 17 17 CYS H H 17 9.016 9.016 8.621 0.395 18206 1757 1 19 . 1 1 18 18 ARG N N 18 121.997 121.997 119.956 2.041 18206 1758 1 19 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.014 -0.067 18206 1759 1 19 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.127 0.865 18206 1760 1 19 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.402 -0.446 18206 1761 1 19 . 1 1 18 18 ARG H H 18 8.824 8.824 8.526 0.298 18206 1762 1 19 . 1 1 19 19 ASP N N 19 116.281 116.281 116.480 -0.199 18206 1763 1 19 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.542 -0.101 18206 1764 1 19 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.291 -0.984 18206 1765 1 19 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.610 -0.613 18206 1766 1 19 . 1 1 19 19 ASP H H 19 7.677 7.677 7.982 -0.305 18206 1767 1 19 . 1 1 20 20 HIS N N 20 113.786 113.786 117.802 -4.016 18206 1768 1 19 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.299 0.192 18206 1769 1 19 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.651 -0.810 18206 1770 1 19 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.280 -1.018 18206 1771 1 19 . 1 1 20 20 HIS H H 20 7.523 7.523 8.437 -0.914 18206 1772 1 19 . 1 1 21 21 SER N N 21 115.298 115.298 114.914 0.384 18206 1773 1 19 . 1 1 21 21 SER HA H 21 4.868 4.868 4.403 0.465 18206 1774 1 19 . 1 1 21 21 SER CA C 21 57.831 57.831 59.318 -1.487 18206 1775 1 19 . 1 1 21 21 SER CB C 21 66.406 66.406 64.356 2.050 18206 1776 1 19 . 1 1 21 21 SER H H 21 8.084 8.084 7.300 0.784 18206 1777 1 19 . 1 1 22 22 ARG N N 22 125.670 125.670 120.262 5.408 18206 1778 1 19 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.382 0.030 18206 1779 1 19 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.731 0.307 18206 1780 1 19 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.557 -0.779 18206 1781 1 19 . 1 1 22 22 ARG H H 22 9.189 9.189 8.563 0.626 18206 1782 1 19 . 1 1 23 23 CYS N N 23 116.441 116.441 118.388 -1.947 18206 1783 1 19 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.736 -0.239 18206 1784 1 19 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.291 -0.462 18206 1785 1 19 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.444 17.083 18206 1786 1 19 . 1 1 23 23 CYS H H 23 8.338 8.338 8.050 0.288 18206 1787 1 20 . 1 1 4 4 ARG N N 4 120.207 120.207 121.521 -1.314 18206 1788 1 20 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.447 -0.141 18206 1789 1 20 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.680 -0.481 18206 1790 1 20 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.842 0.396 18206 1791 1 20 . 1 1 4 4 ARG H H 4 8.773 8.773 8.716 0.057 18206 1792 1 20 . 1 1 5 5 CYS N N 5 118.725 118.725 120.528 -1.803 18206 1793 1 20 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.229 0.540 18206 1794 1 20 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.279 -7.184 18206 1795 1 20 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.901 13.460 18206 1796 1 20 . 1 1 5 5 CYS H H 5 8.433 8.433 8.402 0.031 18206 1797 1 20 . 1 1 6 6 CYS N N 6 115.197 115.197 120.470 -5.273 18206 1798 1 20 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.084 0.480 18206 1799 1 20 . 1 1 6 6 CYS CA C 6 56.254 56.254 63.102 -6.848 18206 1800 1 20 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.014 17.000 18206 1801 1 20 . 1 1 6 6 CYS H H 6 8.334 8.334 8.840 -0.506 18206 1802 1 20 . 1 1 7 7 LYS N N 7 120.670 120.670 119.133 1.537 18206 1803 1 20 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.010 0.315 18206 1804 1 20 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.933 -2.026 18206 1805 1 20 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.101 0.808 18206 1806 1 20 . 1 1 7 7 LYS H H 7 7.978 7.978 8.182 -0.204 18206 1807 1 20 . 1 1 8 8 ASN N N 8 117.984 117.984 116.226 1.758 18206 1808 1 20 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.668 0.135 18206 1809 1 20 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.382 -1.170 18206 1810 1 20 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.676 -0.848 18206 1811 1 20 . 1 1 8 8 ASN H H 8 8.646 8.646 8.107 0.539 18206 1812 1 20 . 1 1 9 9 GLY N N 9 108.754 108.754 109.081 -0.327 18206 1813 1 20 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.839 -1.092 18206 1814 1 20 . 1 1 9 9 GLY H H 9 8.335 8.335 7.868 0.467 18206 1815 1 20 . 1 1 10 10 LYS N N 10 121.997 121.997 124.968 -2.971 18206 1816 1 20 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.055 0.226 18206 1817 1 20 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.810 -1.123 18206 1818 1 20 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.373 -2.440 18206 1819 1 20 . 1 1 10 10 LYS H H 10 8.623 8.623 8.549 0.074 18206 1820 1 20 . 1 1 11 11 ARG N N 11 119.929 119.929 117.204 2.725 18206 1821 1 20 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.174 0.089 18206 1822 1 20 . 1 1 11 11 ARG CA C 11 57.382 57.382 58.010 -0.628 18206 1823 1 20 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.225 -0.188 18206 1824 1 20 . 1 1 11 11 ARG H H 11 8.339 8.339 8.069 0.270 18206 1825 1 20 . 1 1 12 12 GLY N N 12 107.982 107.982 106.882 1.100 18206 1826 1 20 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.612 -0.311 18206 1827 1 20 . 1 1 12 12 GLY H H 12 8.099 8.099 7.708 0.391 18206 1828 1 20 . 1 1 13 13 CYS N N 13 118.834 118.834 121.030 -2.196 18206 1829 1 20 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.275 0.448 18206 1830 1 20 . 1 1 13 13 CYS CA C 13 56.283 56.283 59.605 -3.322 18206 1831 1 20 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.429 18.698 18206 1832 1 20 . 1 1 13 13 CYS H H 13 8.172 8.172 8.080 0.092 18206 1833 1 20 . 1 1 14 14 GLY N N 14 111.154 111.154 112.999 -1.845 18206 1834 1 20 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.820 -0.411 18206 1835 1 20 . 1 1 14 14 GLY H H 14 8.499 8.499 7.962 0.537 18206 1836 1 20 . 1 1 15 15 ARG N N 15 119.836 119.836 120.816 -0.980 18206 1837 1 20 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.015 -0.202 18206 1838 1 20 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.623 0.496 18206 1839 1 20 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.477 -0.119 18206 1840 1 20 . 1 1 15 15 ARG H H 15 8.601 8.601 8.830 -0.229 18206 1841 1 20 . 1 1 16 16 TRP N N 16 118.904 118.904 121.754 -2.850 18206 1842 1 20 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.414 -0.004 18206 1843 1 20 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.999 0.944 18206 1844 1 20 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.796 -0.066 18206 1845 1 20 . 1 1 16 16 TRP H H 16 8.787 8.787 8.202 0.585 18206 1846 1 20 . 1 1 17 17 CYS N N 17 118.726 118.726 119.476 -0.750 18206 1847 1 20 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.206 0.227 18206 1848 1 20 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.726 -1.634 18206 1849 1 20 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.927 12.624 18206 1850 1 20 . 1 1 17 17 CYS H H 17 9.016 9.016 8.691 0.325 18206 1851 1 20 . 1 1 18 18 ARG N N 18 121.997 121.997 119.751 2.246 18206 1852 1 20 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.942 0.005 18206 1853 1 20 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.632 0.360 18206 1854 1 20 . 1 1 18 18 ARG CB C 18 29.956 29.956 29.968 -0.012 18206 1855 1 20 . 1 1 18 18 ARG H H 18 8.824 8.824 8.684 0.140 18206 1856 1 20 . 1 1 19 19 ASP N N 19 116.281 116.281 116.472 -0.191 18206 1857 1 20 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.591 -0.150 18206 1858 1 20 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.236 -0.929 18206 1859 1 20 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.991 -0.994 18206 1860 1 20 . 1 1 19 19 ASP H H 19 7.677 7.677 7.853 -0.176 18206 1861 1 20 . 1 1 20 20 HIS N N 20 113.786 113.786 116.404 -2.618 18206 1862 1 20 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.405 0.086 18206 1863 1 20 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.742 -0.902 18206 1864 1 20 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.779 -1.516 18206 1865 1 20 . 1 1 20 20 HIS H H 20 7.523 7.523 8.329 -0.805 18206 1866 1 20 . 1 1 21 21 SER N N 21 115.298 115.298 114.414 0.884 18206 1867 1 20 . 1 1 21 21 SER HA H 21 4.868 4.868 4.548 0.320 18206 1868 1 20 . 1 1 21 21 SER CA C 21 57.831 57.831 57.972 -0.141 18206 1869 1 20 . 1 1 21 21 SER CB C 21 66.406 66.406 64.595 1.811 18206 1870 1 20 . 1 1 21 21 SER H H 21 8.084 8.084 7.899 0.185 18206 1871 1 20 . 1 1 22 22 ARG N N 22 125.670 125.670 120.932 4.738 18206 1872 1 20 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.441 -0.029 18206 1873 1 20 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.522 0.516 18206 1874 1 20 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.668 -0.890 18206 1875 1 20 . 1 1 22 22 ARG H H 22 9.189 9.189 8.467 0.722 18206 1876 1 20 . 1 1 23 23 CYS N N 23 116.441 116.441 118.426 -1.985 18206 1877 1 20 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.636 -0.139 18206 1878 1 20 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.149 -0.320 18206 1879 1 20 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.827 17.700 18206 1880 1 20 . 1 1 23 23 CYS H H 23 8.338 8.338 8.155 0.183 18206 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 20 2.376 0.301 2.418 18206 2 1 1 "Average Difference" HA 23 0.303 -0.101 0.293 18206 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18206 4 1 1 "Average Difference" CA 20 2.338 1.096 2.119 18206 5 1 1 "Average Difference" CB 17 8.580 -4.296 7.656 18206 6 1 1 "Average Difference" HN 20 0.424 -0.150 0.407 18206 7 1 2 "Average Difference" N 20 2.333 -0.071 2.393 18206 8 1 2 "Average Difference" HA 23 0.296 -0.051 0.298 18206 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18206 10 1 2 "Average Difference" CA 20 2.096 0.885 1.949 18206 11 1 2 "Average Difference" CB 17 8.411 -4.259 7.477 18206 12 1 2 "Average Difference" HN 20 0.541 -0.204 0.514 18206 13 1 3 "Average Difference" N 20 1.995 0.143 2.041 18206 14 1 3 "Average Difference" HA 23 0.293 -0.109 0.278 18206 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18206 16 1 3 "Average Difference" CA 20 2.317 1.138 2.070 18206 17 1 3 "Average Difference" CB 17 8.459 -4.054 7.653 18206 18 1 3 "Average Difference" HN 20 0.479 -0.153 0.465 18206 19 1 4 "Average Difference" N 20 2.190 0.554 2.174 18206 20 1 4 "Average Difference" HA 23 0.322 -0.135 0.300 18206 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18206 22 1 4 "Average Difference" CA 20 2.389 1.267 2.078 18206 23 1 4 "Average Difference" CB 17 8.709 -4.456 7.713 18206 24 1 4 "Average Difference" HN 20 0.436 -0.214 0.390 18206 25 1 5 "Average Difference" N 20 2.353 0.256 2.400 18206 26 1 5 "Average Difference" HA 23 0.303 -0.080 0.299 18206 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18206 28 1 5 "Average Difference" CA 20 2.320 1.183 2.047 18206 29 1 5 "Average Difference" CB 17 8.730 -4.272 7.847 18206 30 1 5 "Average Difference" HN 20 0.417 -0.104 0.414 18206 31 1 6 "Average Difference" N 20 2.414 0.505 2.422 18206 32 1 6 "Average Difference" HA 23 0.285 -0.124 0.263 18206 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18206 34 1 6 "Average Difference" CA 20 2.443 1.250 2.154 18206 35 1 6 "Average Difference" CB 17 8.636 -4.270 7.737 18206 36 1 6 "Average Difference" HN 20 0.503 -0.250 0.448 18206 37 1 7 "Average Difference" N 20 2.193 0.119 2.247 18206 38 1 7 "Average Difference" HA 23 0.300 -0.098 0.290 18206 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18206 40 1 7 "Average Difference" CA 20 2.313 1.089 2.094 18206 41 1 7 "Average Difference" CB 17 8.289 -4.131 7.408 18206 42 1 7 "Average Difference" HN 20 0.528 -0.276 0.461 18206 43 1 8 "Average Difference" N 20 2.489 0.454 2.511 18206 44 1 8 "Average Difference" HA 23 0.326 -0.036 0.331 18206 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18206 46 1 8 "Average Difference" CA 20 2.177 1.070 1.946 18206 47 1 8 "Average Difference" CB 17 8.865 -4.449 7.904 18206 48 1 8 "Average Difference" HN 20 0.407 -0.130 0.395 18206 49 1 9 "Average Difference" N 20 2.474 -0.025 2.538 18206 50 1 9 "Average Difference" HA 23 0.329 -0.047 0.333 18206 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18206 52 1 9 "Average Difference" CA 20 2.034 0.807 1.915 18206 53 1 9 "Average Difference" CB 17 8.398 -4.182 7.507 18206 54 1 9 "Average Difference" HN 20 0.466 -0.176 0.443 18206 55 1 10 "Average Difference" N 20 2.288 0.504 2.290 18206 56 1 10 "Average Difference" HA 23 0.283 -0.099 0.272 18206 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18206 58 1 10 "Average Difference" CA 20 2.353 1.082 2.144 18206 59 1 10 "Average Difference" CB 17 8.580 -4.336 7.632 18206 60 1 10 "Average Difference" HN 20 0.468 -0.198 0.435 18206 61 1 11 "Average Difference" N 20 2.600 0.257 2.655 18206 62 1 11 "Average Difference" HA 23 0.287 -0.128 0.262 18206 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18206 64 1 11 "Average Difference" CA 20 2.416 1.298 2.090 18206 65 1 11 "Average Difference" CB 17 8.487 -4.339 7.518 18206 66 1 11 "Average Difference" HN 20 0.501 -0.197 0.473 18206 67 1 12 "Average Difference" N 20 2.600 0.136 2.664 18206 68 1 12 "Average Difference" HA 23 0.308 -0.060 0.309 18206 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18206 70 1 12 "Average Difference" CA 20 2.257 1.044 2.053 18206 71 1 12 "Average Difference" CB 17 8.603 -4.367 7.641 18206 72 1 12 "Average Difference" HN 20 0.480 -0.227 0.434 18206 73 1 13 "Average Difference" N 20 2.180 0.486 2.180 18206 74 1 13 "Average Difference" HA 23 0.288 -0.111 0.272 18206 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18206 76 1 13 "Average Difference" CA 20 2.287 1.198 1.999 18206 77 1 13 "Average Difference" CB 17 8.670 -4.279 7.772 18206 78 1 13 "Average Difference" HN 20 0.474 -0.215 0.434 18206 79 1 14 "Average Difference" N 20 2.346 0.149 2.402 18206 80 1 14 "Average Difference" HA 23 0.268 -0.074 0.263 18206 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18206 82 1 14 "Average Difference" CA 20 2.266 0.976 2.098 18206 83 1 14 "Average Difference" CB 17 8.520 -4.259 7.606 18206 84 1 14 "Average Difference" HN 20 0.506 -0.216 0.469 18206 85 1 15 "Average Difference" N 20 2.570 0.405 2.604 18206 86 1 15 "Average Difference" HA 23 0.311 -0.111 0.296 18206 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18206 88 1 15 "Average Difference" CA 20 2.509 1.234 2.241 18206 89 1 15 "Average Difference" CB 17 8.784 -4.384 7.847 18206 90 1 15 "Average Difference" HN 20 0.512 -0.243 0.462 18206 91 1 16 "Average Difference" N 20 2.468 0.486 2.482 18206 92 1 16 "Average Difference" HA 23 0.261 -0.119 0.238 18206 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18206 94 1 16 "Average Difference" CA 20 2.489 1.360 2.140 18206 95 1 16 "Average Difference" CB 17 8.664 -4.312 7.746 18206 96 1 16 "Average Difference" HN 20 0.526 -0.214 0.493 18206 97 1 17 "Average Difference" N 20 2.291 0.473 2.300 18206 98 1 17 "Average Difference" HA 23 0.295 -0.133 0.269 18206 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18206 100 1 17 "Average Difference" CA 20 2.478 1.264 2.187 18206 101 1 17 "Average Difference" CB 17 8.588 -4.317 7.653 18206 102 1 17 "Average Difference" HN 20 0.508 -0.149 0.498 18206 103 1 18 "Average Difference" N 20 2.555 0.197 2.613 18206 104 1 18 "Average Difference" HA 23 0.292 -0.117 0.273 18206 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18206 106 1 18 "Average Difference" CA 20 2.538 1.198 2.296 18206 107 1 18 "Average Difference" CB 17 8.579 -4.325 7.637 18206 108 1 18 "Average Difference" HN 20 0.514 -0.179 0.494 18206 109 1 19 "Average Difference" N 20 2.682 0.470 2.709 18206 110 1 19 "Average Difference" HA 23 0.289 -0.078 0.285 18206 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18206 112 1 19 "Average Difference" CA 20 2.350 1.172 2.089 18206 113 1 19 "Average Difference" CB 17 8.600 -4.284 7.687 18206 114 1 19 "Average Difference" HN 20 0.466 -0.153 0.451 18206 115 1 20 "Average Difference" N 20 2.375 0.506 2.380 18206 116 1 20 "Average Difference" HA 23 0.292 -0.110 0.276 18206 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18206 118 1 20 "Average Difference" CA 20 2.494 1.310 2.177 18206 119 1 20 "Average Difference" CB 17 8.769 -4.437 7.797 18206 120 1 20 "Average Difference" HN 20 0.395 -0.134 0.382 18206 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 18206 _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 4 4 ARG N N 4 120.207 120.207 121.735 -1.528 18206 2 1 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.120 0.186 18206 3 1 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.284 -1.085 18206 4 1 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.618 0.620 18206 5 1 . 1 1 4 4 ARG H H 4 8.773 8.773 8.775 -0.002 18206 6 1 . 1 1 5 5 CYS N N 5 118.725 118.725 119.256 -0.531 18206 7 1 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.329 0.440 18206 8 1 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.931 -6.836 18206 9 1 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.007 13.354 18206 10 1 . 1 1 5 5 CYS H H 5 8.433 8.433 8.397 0.036 18206 11 1 . 1 1 6 6 CYS N N 6 115.197 115.197 119.036 -3.839 18206 12 1 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.207 0.357 18206 13 1 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.506 -5.252 18206 14 1 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.968 17.046 18206 15 1 . 1 1 6 6 CYS H H 6 8.334 8.334 8.661 -0.327 18206 16 1 . 1 1 7 7 LYS N N 7 120.670 120.670 119.174 1.496 18206 17 1 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.195 0.130 18206 18 1 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.498 -1.591 18206 19 1 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.540 0.369 18206 20 1 . 1 1 7 7 LYS H H 7 7.978 7.978 8.348 -0.370 18206 21 1 . 1 1 8 8 ASN N N 8 117.984 117.984 116.258 1.726 18206 22 1 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.753 0.050 18206 23 1 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.203 -0.990 18206 24 1 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.224 -1.396 18206 25 1 . 1 1 8 8 ASN H H 8 8.646 8.646 8.123 0.523 18206 26 1 . 1 1 9 9 GLY N N 9 108.754 108.754 109.836 -1.082 18206 27 1 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.921 -1.174 18206 28 1 . 1 1 9 9 GLY H H 9 8.335 8.335 8.229 0.106 18206 29 1 . 1 1 10 10 LYS N N 10 121.997 121.997 124.576 -2.579 18206 30 1 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.104 0.177 18206 31 1 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.153 -0.466 18206 32 1 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.198 -2.265 18206 33 1 . 1 1 10 10 LYS H H 10 8.623 8.623 8.378 0.245 18206 34 1 . 1 1 11 11 ARG N N 11 119.929 119.929 116.204 3.725 18206 35 1 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.324 -0.061 18206 36 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.286 0.096 18206 37 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.517 -0.480 18206 38 1 . 1 1 11 11 ARG H H 11 8.339 8.339 7.997 0.342 18206 39 1 . 1 1 12 12 GLY N N 12 107.982 107.982 106.862 1.120 18206 40 1 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.232 0.070 18206 41 1 . 1 1 12 12 GLY H H 12 8.099 8.099 7.469 0.630 18206 42 1 . 1 1 13 13 CYS N N 13 118.834 118.834 121.380 -2.546 18206 43 1 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.347 0.376 18206 44 1 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.070 -3.787 18206 45 1 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.067 18.060 18206 46 1 . 1 1 13 13 CYS H H 13 8.172 8.172 7.805 0.367 18206 47 1 . 1 1 14 14 GLY N N 14 111.154 111.154 112.620 -1.466 18206 48 1 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.761 -0.352 18206 49 1 . 1 1 14 14 GLY H H 14 8.499 8.499 7.808 0.691 18206 50 1 . 1 1 15 15 ARG N N 15 119.836 119.836 120.404 -0.568 18206 51 1 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.050 -0.237 18206 52 1 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.502 0.617 18206 53 1 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.332 0.026 18206 54 1 . 1 1 15 15 ARG H H 15 8.601 8.601 8.805 -0.204 18206 55 1 . 1 1 16 16 TRP N N 16 118.904 118.904 121.528 -2.624 18206 56 1 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.496 -0.086 18206 57 1 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.460 1.483 18206 58 1 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.016 -0.286 18206 59 1 . 1 1 16 16 TRP H H 16 8.787 8.787 8.139 0.648 18206 60 1 . 1 1 17 17 CYS N N 17 118.726 118.726 119.541 -0.815 18206 61 1 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.136 0.297 18206 62 1 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.983 -1.891 18206 63 1 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.073 12.478 18206 64 1 . 1 1 17 17 CYS H H 17 9.016 9.016 8.606 0.410 18206 65 1 . 1 1 18 18 ARG N N 18 121.997 121.997 119.865 2.132 18206 66 1 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.009 -0.062 18206 67 1 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.402 0.590 18206 68 1 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.179 -0.223 18206 69 1 . 1 1 18 18 ARG H H 18 8.824 8.824 8.534 0.290 18206 70 1 . 1 1 19 19 ASP N N 19 116.281 116.281 115.515 0.766 18206 71 1 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.521 -0.080 18206 72 1 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.142 -0.835 18206 73 1 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.858 -0.861 18206 74 1 . 1 1 19 19 ASP H H 19 7.677 7.677 7.791 -0.114 18206 75 1 . 1 1 20 20 HIS N N 20 113.786 113.786 116.481 -2.695 18206 76 1 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.428 0.063 18206 77 1 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.482 -0.641 18206 78 1 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.824 -1.562 18206 79 1 . 1 1 20 20 HIS H H 20 7.523 7.523 8.360 -0.837 18206 80 1 . 1 1 21 21 SER N N 21 115.298 115.298 114.352 0.946 18206 81 1 . 1 1 21 21 SER HA H 21 4.868 4.868 4.460 0.408 18206 82 1 . 1 1 21 21 SER CA C 21 57.831 57.831 58.228 -0.397 18206 83 1 . 1 1 21 21 SER CB C 21 66.406 66.406 64.577 1.829 18206 84 1 . 1 1 21 21 SER H H 21 8.084 8.084 7.703 0.381 18206 85 1 . 1 1 22 22 ARG N N 22 125.670 125.670 121.176 4.494 18206 86 1 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.397 0.015 18206 87 1 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.463 0.575 18206 88 1 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.374 -0.596 18206 89 1 . 1 1 22 22 ARG H H 22 9.189 9.189 8.543 0.646 18206 90 1 . 1 1 23 23 CYS N N 23 116.441 116.441 118.878 -2.437 18206 91 1 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.640 -0.143 18206 92 1 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.883 -1.054 18206 93 1 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.534 16.993 18206 94 1 . 1 1 23 23 CYS H H 23 8.338 8.338 8.016 0.322 18206 stop_ save_